# command:# Seed set to 1031593569 # 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= 11000 msec, elapsed time= 11738.7 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 1148 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= 15390 msec, elapsed time= 16175.3 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= 20350 msec, elapsed time= 21130 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= 20350 msec, elapsed time= 21133.4 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/t0187-91-240/1dciA/T0187-1dciA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1dciA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1dciA/T0187-1dciA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # adding 1dciA to template set 1dciA:Skipped atom 24, because occupancy 0.3 <= existing 0.700001 Skipped atom 26, because occupancy 0.3 <= existing 0.700001 Skipped atom 28, because occupancy 0.3 <= existing 0.700001 Skipped atom 30, because occupancy 0.3 <= existing 0.700001 Skipped atom 37, because occupancy 0.4 <= existing 0.600001 Skipped atom 75, because occupancy 0.4 <= existing 0.600001 Skipped atom 208, because occupancy 0.4 <= existing 0.600001 Skipped atom 210, because occupancy 0.4 <= existing 0.600001 Skipped atom 212, because occupancy 0.4 <= existing 0.600001 Skipped atom 214, because occupancy 0.4 <= existing 0.600001 Skipped atom 216, because occupancy 0.4 <= existing 0.600001 Skipped atom 218, because occupancy 0.4 <= existing 0.600001 Skipped atom 365, because occupancy 0.4 <= existing 0.600001 Skipped atom 367, because occupancy 0.4 <= existing 0.600001 Skipped atom 369, because occupancy 0.4 <= existing 0.600001 Skipped atom 371, because occupancy 0.4 <= existing 0.600001 Skipped atom 583, because occupancy 0.45 <= existing 0.650001 Skipped atom 1551, because occupancy 0.4 <= existing 0.600001 Skipped atom 1553, because occupancy 0.4 <= existing 0.600001 Skipped atom 1555, because occupancy 0.4 <= existing 0.600001 Skipped atom 1877, because occupancy 0.4 <= existing 0.600001 Skipped atom 1879, because occupancy 0.4 <= existing 0.600001 Skipped atom 1881, because occupancy 0.4 <= existing 0.600001 Skipped atom 1930, because occupancy 0.5 <= existing 0.500001 Skipped atom 1937, because occupancy 0.4 <= existing 0.600001 Skipped atom 1939, because occupancy 0.4 <= existing 0.600001 Skipped atom 1941, because occupancy 0.4 <= existing 0.600001 Skipped atom 2063, because occupancy 0.35 <= existing 0.650001 Skipped atom 2065, because occupancy 0.35 <= existing 0.650001 Skipped atom 2067, because occupancy 0.35 <= existing 0.650001 Skipped atom 2069, because occupancy 0.35 <= existing 0.650001 # found chain 1dciA in template set T0187 1 :PV 1dciA 53 :AY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues self-bump: 1.3696 Ang P1.CA and P1.CB T0187 3 :PDENTIKTTRRVLELVDQ 1dciA 80 :MNRAFWRELVECFQKISK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 22 :NENDTVLFLLSGG 1dciA 98 :DSDCRAVVVSGAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 37 :SLFEL 1dciA 111 :KMFTS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.98606 Ang L3.CD2 and L6.N other bump:2.84264 Ang L3.CD2 and E5.C neighbor-bump: 2.26309 Ang F4.O and E5.CG T0187 45 :GVSLEEI 1dciA 116 :GIDLMDM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.18323 Ang V3.CG1 and I8.CD1 other bump:2.25661 Ang V3.CG2 and I8.CD1 other bump:2.71065 Ang V3.CB and I8.CD1 other bump:2.71984 Ang V3.CG1 and I8.CG1 T0187 52 :QKLTSALLKS 1dciA 135 :ARIAWYLRDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 65 :IEEINTVRKHLSQVK 1dciA 145 :ISRYQKTFTVIEKCP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.52573 Ang H11.O and V15.CG2 other bump:2.49993 Ang K10.CE and Q14.NE2 other bump:2.65595 Ang T7.OG1 and H11.NE2 other bump:2.65331 Ang T7.OG1 and H11.CD2 neighbor-bump: 2.89666 Ang V8.CG1 and R9.NH1 other bump:2.40749 Ang E4.O and T7.CG2 T0187 80 :GGRFAER 1dciA 172 :GGGVDLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 88 :FPAKVVALV 1dciA 179 :SACDIRYCT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.40956 Ang F2.N and P3.CD neighbor-bump: 1.98675 Ang F2.C and P3.CD self-bump: 1.33908 Ang P3.N and P3.CD self-bump: 2.20089 Ang P3.N and P3.CG T0187 97 :LSDV 1dciA 202 :AADV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 101 :LGDRLDVIA 1dciA 214 :VIGNRSLVN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8431 Ang L6.CD1 and I9.CD1 other bump:2.63581 Ang R5.CD and V8.CG2 T0187 110 :SGPAW 1dciA 239 :SGLVS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.97888 Ang S2.CB and P4.CD other bump:1.7509 Ang S2.OG and P4.CD T0187 115 :PDS 1dciA 247 :PDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 118 :STSEDALKVLEKY 1dciA 284 :HSVDESLDYMATW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 131 :GIE 1dciA 301 :LQT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 136 :ESVKRAILQETPK 1dciA 308 :KSVQAAMEKKDSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues Number of specific fragments= 16 total=16 Number of alignments=1 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1dciA/T0187-1dciA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1dciA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1dciA/T0187-1dciA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1dciA in template set T0187 1 :PV 1dciA 53 :AY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues self-bump: 1.3696 Ang P1.CA and P1.CB T0187 3 :PDENTIKTTRRVLELVDQ 1dciA 80 :MNRAFWRELVECFQKISK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 22 :NENDTVLFLLSGG 1dciA 98 :DSDCRAVVVSGAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 37 :SLFEL 1dciA 111 :KMFTS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.98606 Ang L3.CD2 and L6.N other bump:2.84264 Ang L3.CD2 and E5.C neighbor-bump: 2.26309 Ang F4.O and E5.CG T0187 45 :GVSLEEIQ 1dciA 116 :GIDLMDMA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.18324 Ang V3.CG1 and I8.CD1 other bump:2.71066 Ang V3.CB and I8.CD1 other bump:2.25661 Ang V3.CG2 and I8.CD1 other bump:2.71985 Ang V3.CG1 and I8.CG1 T0187 53 :KLTSALLKS 1dciA 136 :RIAWYLRDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 65 :IEEINTVRKHLSQVK 1dciA 145 :ISRYQKTFTVIEKCP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.52573 Ang H11.O and V15.CG2 other bump:2.49993 Ang K10.CE and Q14.NE2 other bump:2.65595 Ang T7.OG1 and H11.NE2 other bump:2.65331 Ang T7.OG1 and H11.CD2 neighbor-bump: 2.89666 Ang V8.CG1 and R9.NH1 other bump:2.40749 Ang E4.O and T7.CG2 T0187 80 :GGRFAE 1dciA 172 :GGGVDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 87 :VFPAKVVALV 1dciA 178 :ISACDIRYCT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:3.10019 Ang G1.C and P4.CD neighbor-bump: 2.40956 Ang F3.N and P4.CD neighbor-bump: 1.98675 Ang F3.C and P4.CD self-bump: 1.33909 Ang P4.N and P4.CD self-bump: 2.20089 Ang P4.N and P4.CG T0187 97 :L 1dciA 192 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 98 :SDV 1dciA 203 :ADV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 101 :LGDRLDVIA 1dciA 214 :VIGNRSLVN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8431 Ang L6.CD1 and I9.CD1 other bump:2.63581 Ang R5.CD and V8.CG2 T0187 110 :SGPAW 1dciA 239 :SGLVS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.97888 Ang S2.CB and P4.CD other bump:1.7509 Ang S2.OG and P4.CD T0187 118 :STSEDALKVLEKY 1dciA 284 :HSVDESLDYMATW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 131 :GIE 1dciA 301 :LQT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 136 :ESVKRAILQETPK 1dciA 308 :KSVQAAMEKKDSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues Number of specific fragments= 16 total=32 Number of alignments=2 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1bouB/T0187-1bouB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1bouB read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1bouB/T0187-1bouB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # adding 1bouB to template set 1bouB:# found chain 1bouB in template set T0187 3 :PD 1bouB 12 :HI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues neighbor-bump: 2.17685 Ang G1.O and P2.CD neighbor-bump: 1.22153 Ang G1.C and P2.CD self-bump: 1.30081 Ang P2.N and P2.CD neighbor-bump: 2.53573 Ang G1.O and P2.CG neighbor-bump: 2.25842 Ang G1.C and P2.CG self-bump: 2.14979 Ang P2.N and P2.CG T0187 5 :ENTIKTTRRVLELV 1bouB 31 :GPVFKGYQPIRDWI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.50482 Ang R9.NE and E13.OE2 other bump:1.26891 Ang R9.CZ and E13.OE2 other bump:1.13393 Ang R9.NH1 and E13.OE2 other bump:1.61052 Ang R9.NH2 and E13.OE2 other bump:2.22057 Ang R9.CZ and E13.CD other bump:2.27161 Ang R9.NH1 and E13.CD other bump:2.15239 Ang R9.NH2 and E13.CD T0187 19 :DQLN 1bouB 48 :GNMP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 25 :DTVLFLLSGGGSSL 1bouB 52 :DVVILVYNDHASAF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 39 :FELPLEG 1bouB 87 :GWGPRPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 1.77413 Ang G1.O and F2.CD1 neighbor-bump: 2.21804 Ang G1.O and F2.CG self-bump: 1.39971 Ang F2.CA and F2.CB T0187 46 :VSLEEIQKLTSALLKSGAS 1bouB 98 :GHPDLAWHIAQSLILDEFD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.29799 Ang V2.CG1 and I7.CD1 other bump:2.99988 Ang S3.N and I7.CD1 neighbor-bump: 3.21781 Ang V2.CG1 and S3.C neighbor-bump: 2.33836 Ang V2.CG1 and S3.N T0187 65 :IEEINTV 1bouB 130 :TVPLSMI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 72 :RKHLS 1bouB 163 :KRCFA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 80 :GGRFAERVFPAK 1bouB 169 :GDSIRAAVESFP Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.98594 Ang E7.C and P11.CD neighbor-bump: 2.39708 Ang F10.N and P11.CD other bump:1.87493 Ang E7.O and P11.CD neighbor-bump: 2.41218 Ang F10.CA and P11.CD neighbor-bump: 2.73554 Ang F10.CB and P11.CD neighbor-bump: 2.06218 Ang F10.C and P11.CD self-bump: 1.31347 Ang P11.N and P11.CD other bump:2.9976 Ang E7.C and P11.CG other bump:1.79279 Ang E7.O and P11.CG self-bump: 2.17153 Ang P11.N and P11.CG other bump:2.99617 Ang F5.CE2 and R8.NH2 other bump:2.63727 Ang F5.CD2 and R8.NH2 T0187 92 :VVALVLSDVLGDR 1bouB 184 :NVHVWGTGGMSHQ Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.39182 Ang V10.CG1 and G12.N neighbor-bump: 2.52043 Ang V10.CB and L11.C neighbor-bump: 1.10104 Ang V10.CG1 and L11.C neighbor-bump: 3.12389 Ang V10.CG2 and L11.C neighbor-bump: 2.41413 Ang V10.CB and L11.O neighbor-bump: 1.44698 Ang V10.CG1 and L11.O neighbor-bump: 2.61598 Ang V10.CG2 and L11.O neighbor-bump: 2.86515 Ang V10.CB and L11.CD2 neighbor-bump: 2.80346 Ang V10.CB and L11.CB neighbor-bump: 2.12141 Ang V10.CG1 and L11.CB self-bump: 1.27922 Ang L11.CA and L11.CB neighbor-bump: 2.78778 Ang V10.CA and L11.CA neighbor-bump: 2.063 Ang V10.CB and L11.CA neighbor-bump: 1.04988 Ang V10.CG1 and L11.CA neighbor-bump: 2.40946 Ang V10.CB and L11.N neighbor-bump: 1.73319 Ang V10.CG1 and L11.N self-bump: 2.19582 Ang V10.CB and V10.C self-bump: 2.31778 Ang V10.CG1 and V10.C self-bump: 1.29926 Ang V10.CA and V10.CB neighbor-bump: 2.20774 Ang S8.O and D9.OD2 neighbor-bump: 1.79734 Ang S8.O and D9.CG neighbor-bump: 2.55142 Ang S8.C and D9.CG neighbor-bump: 2.22239 Ang S8.O and D9.CB neighbor-bump: 2.63451 Ang S8.C and D9.CB T0187 114 :WPDSS 1bouB 197 :LQGPR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.37898 Ang D4.CB and S5.N self-bump: 2.19138 Ang D4.CB and D4.C self-bump: 1.35577 Ang D4.CA and D4.CB T0187 119 :TSEDALKVL 1bouB 206 :NKEFDLNFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 128 :EKYGIE 1bouB 223 :ELSKMP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 137 :SVKRAILQETPKH 1bouB 229 :HIQYLRESGSEGV Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.24296 Ang T11.C and H14.ND1 other bump:2.15372 Ang T11.O and H14.ND1 other bump:1.30554 Ang Q9.CD and K13.NZ other bump:1.76504 Ang Q9.OE1 and K13.NZ other bump:1.30776 Ang Q9.NE2 and K13.NZ other bump:2.58004 Ang Q9.CA and K13.CE other bump:2.04512 Ang Q9.CD and K13.CE other bump:1.83614 Ang Q9.OE1 and K13.CE other bump:2.73253 Ang Q9.NE2 and K13.CE other bump:2.56106 Ang Q9.CB and K13.CE other bump:2.77335 Ang Q9.CG and K13.CE other bump:2.96639 Ang Q9.N and K13.CD other bump:2.29128 Ang Q9.O and K13.CD other bump:2.25854 Ang Q9.C and K13.CD other bump:1.68143 Ang Q9.CA and K13.CD other bump:2.42599 Ang Q9.CD and K13.CD other bump:2.54607 Ang Q9.OE1 and K13.CD other bump:1.25581 Ang Q9.CB and K13.CD other bump:2.19904 Ang Q9.CG and K13.CD other bump:3.04058 Ang Q9.C and K13.CG other bump:2.9963 Ang Q9.CA and K13.CG other bump:2.0211 Ang Q9.CB and K13.CG other bump:2.97086 Ang Q9.CG and K13.CG other bump:2.24471 Ang Q9.O and K13.CB other bump:2.76696 Ang Q9.C and K13.CB other bump:2.86402 Ang Q9.CB and K13.CB neighbor-bump: 2.03294 Ang Q9.O and E10.CB neighbor-bump: 2.50524 Ang Q9.C and E10.CB Number of specific fragments= 14 total=46 Number of alignments=3 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1bouB/T0187-1bouB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1bouB read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1bouB/T0187-1bouB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 3 :PD 1bouB 11 :SH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 5 :ENTIKTTRRVLELV 1bouB 31 :GPVFKGYQPIRDWI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.50482 Ang R9.NE and E13.OE2 other bump:1.26891 Ang R9.CZ and E13.OE2 other bump:1.13393 Ang R9.NH1 and E13.OE2 other bump:1.61052 Ang R9.NH2 and E13.OE2 other bump:2.22057 Ang R9.CZ and E13.CD other bump:2.27161 Ang R9.NH1 and E13.CD other bump:2.15239 Ang R9.NH2 and E13.CD T0187 19 :DQLN 1bouB 48 :GNMP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 25 :DTVLFLLSGGGSSL 1bouB 52 :DVVILVYNDHASAF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 39 :FELPLEGVS 1bouB 87 :GWGPRPVPD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.77413 Ang G1.O and F2.CD1 neighbor-bump: 2.21804 Ang G1.O and F2.CG self-bump: 1.39971 Ang F2.CA and F2.CB T0187 48 :LEEIQKLTSALLKSGAS 1bouB 100 :PDLAWHIAQSLILDEFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 65 :IEEINTV 1bouB 130 :TVPLSMI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 72 :RKHLSQ 1bouB 163 :KRCFAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 80 :GGRFAERVFPAK 1bouB 169 :GDSIRAAVESFP Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.98594 Ang E7.C and P11.CD neighbor-bump: 2.39708 Ang F10.N and P11.CD other bump:1.87493 Ang E7.O and P11.CD neighbor-bump: 2.41218 Ang F10.CA and P11.CD neighbor-bump: 2.73554 Ang F10.CB and P11.CD neighbor-bump: 2.06218 Ang F10.C and P11.CD self-bump: 1.31347 Ang P11.N and P11.CD other bump:2.9976 Ang E7.C and P11.CG other bump:1.79279 Ang E7.O and P11.CG self-bump: 2.17153 Ang P11.N and P11.CG other bump:2.99617 Ang F5.CE2 and R8.NH2 other bump:2.63727 Ang F5.CD2 and R8.NH2 T0187 92 :VVALVLSDVLGDR 1bouB 184 :NVHVWGTGGMSHQ Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.39182 Ang V10.CG1 and G12.N neighbor-bump: 2.52043 Ang V10.CB and L11.C neighbor-bump: 1.10104 Ang V10.CG1 and L11.C neighbor-bump: 3.12389 Ang V10.CG2 and L11.C neighbor-bump: 2.41413 Ang V10.CB and L11.O neighbor-bump: 1.44698 Ang V10.CG1 and L11.O neighbor-bump: 2.61598 Ang V10.CG2 and L11.O neighbor-bump: 2.86515 Ang V10.CB and L11.CD2 neighbor-bump: 2.80346 Ang V10.CB and L11.CB neighbor-bump: 2.12141 Ang V10.CG1 and L11.CB self-bump: 1.27922 Ang L11.CA and L11.CB neighbor-bump: 2.78778 Ang V10.CA and L11.CA neighbor-bump: 2.063 Ang V10.CB and L11.CA neighbor-bump: 1.04988 Ang V10.CG1 and L11.CA neighbor-bump: 2.40946 Ang V10.CB and L11.N neighbor-bump: 1.73319 Ang V10.CG1 and L11.N self-bump: 2.19582 Ang V10.CB and V10.C self-bump: 2.31778 Ang V10.CG1 and V10.C self-bump: 1.29926 Ang V10.CA and V10.CB neighbor-bump: 2.20774 Ang S8.O and D9.OD2 neighbor-bump: 1.79734 Ang S8.O and D9.CG neighbor-bump: 2.55142 Ang S8.C and D9.CG neighbor-bump: 2.22239 Ang S8.O and D9.CB neighbor-bump: 2.63451 Ang S8.C and D9.CB T0187 114 :WPDSS 1bouB 197 :LQGPR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.37898 Ang D4.CB and S5.N self-bump: 2.19138 Ang D4.CB and D4.C self-bump: 1.35577 Ang D4.CA and D4.CB T0187 119 :TSEDALKVLEK 1bouB 206 :NKEFDLNFIDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 130 :YGIE 1bouB 225 :SKMP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 137 :SVKRAILQETPKH 1bouB 229 :HIQYLRESGSEGV Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.24296 Ang T11.C and H14.ND1 other bump:2.15372 Ang T11.O and H14.ND1 other bump:1.30554 Ang Q9.CD and K13.NZ other bump:1.76504 Ang Q9.OE1 and K13.NZ other bump:1.30776 Ang Q9.NE2 and K13.NZ other bump:2.58004 Ang Q9.CA and K13.CE other bump:2.04512 Ang Q9.CD and K13.CE other bump:1.83614 Ang Q9.OE1 and K13.CE other bump:2.73253 Ang Q9.NE2 and K13.CE other bump:2.56106 Ang Q9.CB and K13.CE other bump:2.77335 Ang Q9.CG and K13.CE other bump:2.96639 Ang Q9.N and K13.CD other bump:2.29128 Ang Q9.O and K13.CD other bump:2.25854 Ang Q9.C and K13.CD other bump:1.68143 Ang Q9.CA and K13.CD other bump:2.42599 Ang Q9.CD and K13.CD other bump:2.54607 Ang Q9.OE1 and K13.CD other bump:1.25581 Ang Q9.CB and K13.CD other bump:2.19904 Ang Q9.CG and K13.CD other bump:3.04058 Ang Q9.C and K13.CG other bump:2.9963 Ang Q9.CA and K13.CG other bump:2.0211 Ang Q9.CB and K13.CG other bump:2.97086 Ang Q9.CG and K13.CG other bump:2.24471 Ang Q9.O and K13.CB other bump:2.76696 Ang Q9.C and K13.CB other bump:2.86402 Ang Q9.CB and K13.CB neighbor-bump: 2.03294 Ang Q9.O and E10.CB neighbor-bump: 2.50524 Ang Q9.C and E10.CB Number of specific fragments= 14 total=60 Number of alignments=4 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1i5nA/T0187-1i5nA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1i5nA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1i5nA/T0187-1i5nA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # adding 1i5nA to template set 1i5nA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 490, because occupancy 0.5 <= existing 0.500001 Skipped atom 492, because occupancy 0.5 <= existing 0.500001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 749, 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 942, because occupancy 0.5 <= existing 0.500001 Skipped atom 944, because occupancy 0.5 <= existing 0.500001 Skipped atom 946, because occupancy 0.5 <= existing 0.500001 # found chain 1i5nA in template set T0187 5 :ENTIKTTRRVLELVDQLNE 1i5nA 14 :DEADELLADMEQHLLDLVP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.0688 Ang L12.O and D16.OD2 other bump:2.90046 Ang L12.C and D16.OD2 other bump:2.53654 Ang K6.CD and R9.NH2 T0187 44 :EGVSLEEIQKLTSALL 1i5nA 33 :ESPDAEQLNAIFRAAH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.85575 Ang V4.CB and I9.CD1 other bump:2.42798 Ang V4.CG1 and I9.CD1 other bump:2.49281 Ang V4.CG1 and I9.CG1 T0187 60 :KSGASIEEINTVRKH 1i5nA 56 :TFGFTILQETTHLME Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.54252 Ang E9.O and V13.CG2 T0187 81 :GRFAERVFPAK 1i5nA 71 :NLLDEARRGEM Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.57266 Ang R3.C and K12.NZ other bump:2.24134 Ang R3.CA and K12.NZ other bump:2.20145 Ang R3.CB and K12.NZ other bump:2.00034 Ang R3.O and K12.CE other bump:2.84723 Ang R3.C and K12.CE other bump:3.04448 Ang R7.CG and K12.CG neighbor-bump: 1.19261 Ang F9.O and P10.CD self-bump: 2.20176 Ang P10.CA and P10.CD neighbor-bump: 2.33076 Ang F9.CA and P10.CD neighbor-bump: 1.05905 Ang F9.C and P10.CD neighbor-bump: 2.43154 Ang F9.C and P10.CG other bump:2.59397 Ang A5.O and F9.CD2 T0187 102 :GDRLDVIAS 1i5nA 82 :QLNTDIINL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 120 :SEDALKVLE 1i5nA 91 :FLETKDIMQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 129 :KYGIETSESVKRAILQETPK 1i5nA 106 :KNSEEPDAASFEYICNALRQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues Number of specific fragments= 7 total=67 Number of alignments=5 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1i5nA/T0187-1i5nA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1i5nA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1i5nA/T0187-1i5nA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1i5nA in template set T0187 5 :ENTIKTTRRVLELVDQLNE 1i5nA 14 :DEADELLADMEQHLLDLVP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.0688 Ang L12.O and D16.OD2 other bump:2.90046 Ang L12.C and D16.OD2 other bump:2.53654 Ang K6.CD and R9.NH2 T0187 44 :EGVSLEEIQKLTSALL 1i5nA 33 :ESPDAEQLNAIFRAAH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.85575 Ang V4.CB and I9.CD1 other bump:2.42798 Ang V4.CG1 and I9.CD1 other bump:2.49281 Ang V4.CG1 and I9.CG1 T0187 60 :KSGASIEEINTVRKH 1i5nA 56 :TFGFTILQETTHLME Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.54252 Ang E9.O and V13.CG2 T0187 81 :GRFAERVFPAK 1i5nA 71 :NLLDEARRGEM Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.57266 Ang R3.C and K12.NZ other bump:2.24134 Ang R3.CA and K12.NZ other bump:2.20145 Ang R3.CB and K12.NZ other bump:2.00034 Ang R3.O and K12.CE other bump:2.84723 Ang R3.C and K12.CE other bump:3.04448 Ang R7.CG and K12.CG neighbor-bump: 1.19261 Ang F9.O and P10.CD self-bump: 2.20176 Ang P10.CA and P10.CD neighbor-bump: 2.33076 Ang F9.CA and P10.CD neighbor-bump: 1.05905 Ang F9.C and P10.CD neighbor-bump: 2.43154 Ang F9.C and P10.CG other bump:2.59397 Ang A5.O and F9.CD2 T0187 102 :GDRLDVIAS 1i5nA 82 :QLNTDIINL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 120 :SEDALKVLE 1i5nA 91 :FLETKDIMQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 129 :KYGIETSESVKRAILQETPK 1i5nA 106 :KNSEEPDAASFEYICNALRQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues Number of specific fragments= 7 total=74 Number of alignments=6 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1bouB/T0187-1bouB-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1bouB read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1bouB/T0187-1bouB-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 1 :PVPDENTIKT 1bouB 158 :PPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30593 Ang D4.OD1 and T7.OG1 neighbor-bump: 2.73157 Ang V2.CG1 and P3.CD T0187 11 :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 67 :EINTVRKHLS 1bouB 210 :DLNFIDKLIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 3 total=77 Number of alignments=7 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1bouB/T0187-1bouB-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1bouB read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1bouB/T0187-1bouB-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 1 :PVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 159 :PPSGKRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:1.8778 Ang L48.CD2 and I51.CD1 other bump:2.47125 Ang L48.CD2 and I51.CG1 other bump:3.06226 Ang L43.CD1 and V46.CG2 other bump:2.43658 Ang L43.O and V46.CG2 neighbor-bump: 2.03547 Ang L41.CB and P42.CD neighbor-bump: 2.38609 Ang L41.CB and P42.N self-bump: 2.1954 Ang L41.CB and L41.C self-bump: 1.34504 Ang L41.CA and L41.CB other bump:2.26899 Ang L38.CD1 and E40.O neighbor-bump: 2.78778 Ang G34.CA and G35.CA other bump:2.48561 Ang V2.CG1 and N6.OD1 other bump:2.98407 Ang V2.CG1 and N6.CG other bump:2.83965 Ang V2.CG1 and N6.CB neighbor-bump: 2.84776 Ang V2.CG1 and P3.CD T0187 67 :EINTVRKHLSQ 1bouB 210 :DLNFIDKLISD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 2 total=79 Number of alignments=8 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1bouB/T0187-1bouB-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1bouB read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1bouB/T0187-1bouB-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 1 :PVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 159 :PPSGKRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:1.8778 Ang L48.CD2 and I51.CD1 other bump:2.47125 Ang L48.CD2 and I51.CG1 other bump:3.06226 Ang L43.CD1 and V46.CG2 other bump:2.43658 Ang L43.O and V46.CG2 neighbor-bump: 2.03547 Ang L41.CB and P42.CD neighbor-bump: 2.38609 Ang L41.CB and P42.N self-bump: 2.1954 Ang L41.CB and L41.C self-bump: 1.34504 Ang L41.CA and L41.CB other bump:2.26899 Ang L38.CD1 and E40.O neighbor-bump: 2.78778 Ang G34.CA and G35.CA other bump:2.48561 Ang V2.CG1 and N6.OD1 other bump:2.98407 Ang V2.CG1 and N6.CG other bump:2.83965 Ang V2.CG1 and N6.CB neighbor-bump: 2.84776 Ang V2.CG1 and P3.CD T0187 67 :EINTVRKHLSQ 1bouB 210 :DLNFIDKLISD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 2 total=81 Number of alignments=9 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1bouB/T0187-1bouB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1bouB read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1bouB/T0187-1bouB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 1 :PVPDENTIKT 1bouB 158 :PPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30593 Ang D4.OD1 and T7.OG1 neighbor-bump: 2.73157 Ang V2.CG1 and P3.CD T0187 11 :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 67 :EINTVRKHLS 1bouB 210 :DLNFIDKLIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 3 total=84 Number of alignments=10 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2rA/T0187-1l2rA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1l2rA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2rA/T0187-1l2rA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # adding 1l2rA to template set 1l2rA:Skipped atom 172, because occupancy 0.5 <= existing 0.500001 Skipped atom 174, because occupancy 0.5 <= existing 0.500001 Skipped atom 176, because occupancy 0.5 <= existing 0.500001 Skipped atom 178, because occupancy 0.5 <= existing 0.500001 Skipped atom 307, because occupancy 0.5 <= existing 0.500001 Skipped atom 309, because occupancy 0.5 <= existing 0.500001 Skipped atom 311, because occupancy 0.5 <= existing 0.500001 Skipped atom 352, because occupancy 0.5 <= existing 0.500001 Skipped atom 354, because occupancy 0.5 <= existing 0.500001 Skipped atom 356, because occupancy 0.5 <= existing 0.500001 Skipped atom 358, because occupancy 0.5 <= existing 0.500001 Skipped atom 360, because occupancy 0.5 <= existing 0.500001 Skipped atom 442, because occupancy 0.4 <= existing 0.600001 Skipped atom 444, because occupancy 0.4 <= existing 0.600001 Skipped atom 447, because occupancy 0.4 <= existing 0.600001 Skipped atom 476, because occupancy 0.5 <= existing 0.500001 Skipped atom 478, because occupancy 0.5 <= existing 0.500001 Skipped atom 480, because occupancy 0.5 <= existing 0.500001 Skipped atom 482, because occupancy 0.5 <= existing 0.500001 Skipped atom 488, because occupancy 0.5 <= existing 0.500001 Skipped atom 490, because occupancy 0.5 <= existing 0.500001 Skipped atom 492, because occupancy 0.5 <= existing 0.500001 Skipped atom 494, because occupancy 0.5 <= existing 0.500001 Skipped atom 555, because occupancy 0.5 <= existing 0.500001 Skipped atom 557, because occupancy 0.5 <= existing 0.500001 Skipped atom 559, because occupancy 0.5 <= existing 0.500001 Skipped atom 585, because occupancy 0.35 <= existing 0.650001 Skipped atom 587, because occupancy 0.35 <= existing 0.650001 Skipped atom 589, because occupancy 0.35 <= existing 0.650001 Skipped atom 591, because occupancy 0.35 <= existing 0.650001 Skipped atom 593, because occupancy 0.35 <= existing 0.650001 Skipped atom 599, because occupancy 0.4 <= existing 0.600001 Skipped atom 601, because occupancy 0.4 <= existing 0.600001 Skipped atom 603, because occupancy 0.4 <= existing 0.600001 Skipped atom 605, because occupancy 0.4 <= existing 0.600001 Skipped atom 627, because occupancy 0.3 <= existing 0.700001 Skipped atom 629, because occupancy 0.3 <= existing 0.700001 Skipped atom 631, because occupancy 0.3 <= existing 0.700001 Skipped atom 633, because occupancy 0.3 <= existing 0.700001 Skipped atom 635, because occupancy 0.3 <= existing 0.700001 Skipped atom 736, because occupancy 0.5 <= existing 0.500001 Skipped atom 738, because occupancy 0.5 <= existing 0.500001 Skipped atom 740, because occupancy 0.5 <= existing 0.500001 Skipped atom 742, because occupancy 0.5 <= existing 0.500001 Skipped atom 868, because occupancy 0.45 <= existing 0.550001 Skipped atom 870, because occupancy 0.45 <= existing 0.550001 Skipped atom 872, because occupancy 0.45 <= existing 0.550001 Skipped atom 874, because occupancy 0.45 <= existing 0.550001 Skipped atom 876, because occupancy 0.45 <= existing 0.550001 Skipped atom 921, because occupancy 0.5 <= existing 0.500001 Skipped atom 923, because occupancy 0.5 <= existing 0.500001 Skipped atom 925, because occupancy 0.5 <= existing 0.500001 Skipped atom 1012, because occupancy 0.5 <= existing 0.500001 Skipped atom 1014, because occupancy 0.5 <= existing 0.500001 Skipped atom 1041, because occupancy 0.5 <= existing 0.500001 Skipped atom 1043, because occupancy 0.5 <= existing 0.500001 Skipped atom 1045, because occupancy 0.5 <= existing 0.500001 Skipped atom 1216, because occupancy 0.4 <= existing 0.600001 Skipped atom 1218, because occupancy 0.4 <= existing 0.600001 Skipped atom 1220, because occupancy 0.4 <= existing 0.600001 Skipped atom 1222, because occupancy 0.4 <= existing 0.600001 Skipped atom 1387, because occupancy 0.4 <= existing 0.600001 Skipped atom 1389, because occupancy 0.4 <= existing 0.600001 Skipped atom 1391, because occupancy 0.4 <= existing 0.600001 Skipped atom 1411, because occupancy 0.5 <= existing 0.500001 Skipped atom 1414, because occupancy 0.5 <= existing 0.500001 Skipped atom 1563, because occupancy 0.5 <= existing 0.500001 Skipped atom 1565, because occupancy 0.5 <= existing 0.500001 Skipped atom 1567, because occupancy 0.5 <= existing 0.500001 Skipped atom 1648, because occupancy 0.15 <= existing 0.850001 Skipped atom 1650, because occupancy 0.15 <= existing 0.850001 Skipped atom 1652, because occupancy 0.15 <= existing 0.850001 Skipped atom 1654, because occupancy 0.15 <= existing 0.850001 Skipped atom 1656, because occupancy 0.15 <= existing 0.850001 Skipped atom 1791, because occupancy 0.5 <= existing 0.500001 Skipped atom 1793, because occupancy 0.5 <= existing 0.500001 Skipped atom 1795, because occupancy 0.5 <= existing 0.500001 Skipped atom 1801, because occupancy 0.2 <= existing 0.800001 Skipped atom 1803, because occupancy 0.2 <= existing 0.800001 Skipped atom 1840, because occupancy 0.15 <= existing 0.850001 Skipped atom 1842, because occupancy 0.15 <= existing 0.850001 Skipped atom 1844, because occupancy 0.15 <= existing 0.850001 Skipped atom 1846, because occupancy 0.15 <= existing 0.850001 Skipped atom 1848, because occupancy 0.15 <= existing 0.850001 Skipped atom 2047, because occupancy 0.4 <= existing 0.600001 Skipped atom 2050, because occupancy 0.4 <= existing 0.600001 Skipped atom 2065, because occupancy 0.15 <= existing 0.850001 Skipped atom 2067, because occupancy 0.15 <= existing 0.850001 Skipped atom 2069, because occupancy 0.15 <= existing 0.850001 Skipped atom 2084, because occupancy 0.15 <= existing 0.850001 Skipped atom 2086, because occupancy 0.15 <= existing 0.850001 Skipped atom 2088, because occupancy 0.15 <= existing 0.850001 Skipped atom 2090, because occupancy 0.15 <= existing 0.850001 Skipped atom 2107, because occupancy 0.15 <= existing 0.850001 Skipped atom 2109, because occupancy 0.15 <= existing 0.850001 Skipped atom 2646, because occupancy 0.15 <= existing 0.850001 Skipped atom 2648, because occupancy 0.15 <= existing 0.850001 Skipped atom 2650, because occupancy 0.15 <= existing 0.850001 Skipped atom 2652, because occupancy 0.15 <= existing 0.850001 Skipped atom 2654, because occupancy 0.15 <= existing 0.850001 Skipped atom 2672, because occupancy 0.15 <= existing 0.850001 Skipped atom 2674, because occupancy 0.15 <= existing 0.850001 Skipped atom 2676, because occupancy 0.15 <= existing 0.850001 Skipped atom 2678, because occupancy 0.15 <= existing 0.850001 Skipped atom 2680, because occupancy 0.15 <= existing 0.850001 Skipped atom 2682, because occupancy 0.15 <= existing 0.850001 Skipped atom 2684, because occupancy 0.15 <= existing 0.850001 Skipped atom 2686, because occupancy 0.15 <= existing 0.850001 Skipped atom 3111, because occupancy 0.3 <= existing 0.700001 Skipped atom 3113, because occupancy 0.3 <= existing 0.700001 Skipped atom 3115, because occupancy 0.3 <= existing 0.700001 Skipped atom 3136, because occupancy 0.45 <= existing 0.550001 Skipped atom 3138, because occupancy 0.45 <= existing 0.550001 Skipped atom 3140, because occupancy 0.45 <= existing 0.550001 Skipped atom 3142, because occupancy 0.45 <= existing 0.550001 Skipped atom 3254, because occupancy 0.5 <= existing 0.500001 Skipped atom 3256, because occupancy 0.5 <= existing 0.500001 Skipped atom 3258, because occupancy 0.5 <= existing 0.500001 Skipped atom 3260, because occupancy 0.5 <= existing 0.500001 Skipped atom 3381, because occupancy 0.5 <= existing 0.500001 Skipped atom 3383, because occupancy 0.5 <= existing 0.500001 Skipped atom 3385, because occupancy 0.5 <= existing 0.500001 Skipped atom 3387, because occupancy 0.5 <= existing 0.500001 Skipped atom 3445, because occupancy 0.5 <= existing 0.500001 Skipped atom 3447, because occupancy 0.5 <= existing 0.500001 Skipped atom 3449, because occupancy 0.5 <= existing 0.500001 Skipped atom 3451, because occupancy 0.5 <= existing 0.500001 Skipped atom 3488, because occupancy 0.5 <= existing 0.500001 Skipped atom 3490, because occupancy 0.5 <= existing 0.500001 Skipped atom 3492, because occupancy 0.5 <= existing 0.500001 # found chain 1l2rA in template set T0187 3 :PDENTIKT 1l2rA 7 :FDCYDFYD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 11 :TRRVLELVDQLN 1l2rA 88 :EDEIWDAINNVQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0187 23 :END 1l2rA 118 :VGD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 26 :TVLF 1l2rA 125 :IVQG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:1.61501 Ang V3.CG1 and F5.CZ other bump:2.73121 Ang V3.CG1 and F5.CE2 other bump:2.37558 Ang V3.CB and F5.CE1 other bump:1.13061 Ang V3.CG1 and F5.CE1 other bump:2.20983 Ang V3.CG1 and F5.CD1 other bump:3.13276 Ang V3.CG1 and F5.CG T0187 30 :LLSGGG 1l2rA 134 :PISEDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 36 :SSLFELPLEGV 1l2rA 163 :SVRGKSPIPKS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:1.9135 Ang L9.O and V12.CG1 other bump:2.93161 Ang L9.C and V12.CG1 T0187 48 :LEEIQKLTSALLKSGA 1l2rA 181 :KTETRLIKNACAMAGR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.27997 Ang L13.CD2 and G18.CA other bump:1.85741 Ang E3.OE2 and K7.CE other bump:2.64627 Ang E3.CD and K7.CD other bump:1.84113 Ang E3.OE2 and K7.CD T0187 64 :SIEEINTVRKHLSQVK 1l2rA 239 :DLDAISVIAHYKGNSD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.60303 Ang N7.CG and R10.NH2 other bump:1.43342 Ang N7.OD1 and R10.NH2 other bump:2.93465 Ang I6.CG2 and R10.NH1 other bump:2.59489 Ang N7.OD1 and R10.CZ T0187 80 :GG 1l2rA 265 :GG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 82 :RFAERVFPAKVVA 1l2rA 283 :INAVLMSSASWHL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.74196 Ang A4.CB and V13.CG2 other bump:2.27092 Ang E5.OE1 and A10.O neighbor-bump: 2.24099 Ang F8.O and P9.CD self-bump: 2.22864 Ang P9.CA and P9.CD neighbor-bump: 1.70401 Ang F8.C and P9.CD self-bump: 1.39939 Ang P9.CA and P9.CB neighbor-bump: 3.09267 Ang R6.CZ and V7.CG2 other bump:2.58997 Ang F3.CD1 and V7.CG2 other bump:1.79867 Ang F3.CE1 and V7.CG2 neighbor-bump: 2.7801 Ang R6.NH2 and V7.CG2 other bump:2.15426 Ang F3.CZ and V7.CG2 other bump:3.08645 Ang F3.CE2 and V7.CG2 other bump:2.79656 Ang F3.CZ and V7.CG1 other bump:2.98245 Ang F3.CE1 and V7.CB other bump:2.68324 Ang F3.CZ and V7.CB other bump:3.1125 Ang F3.CE2 and V7.CB other bump:2.19806 Ang F3.CE1 and R6.NH2 T0187 95 :LVLSDVLGDR 1l2rA 330 :SGNQYYPCAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 105 :LDVIASGPA 1l2rA 354 :ITDTASGRE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77618 Ang V4.CG1 and P9.CG other bump:2.79215 Ang V4.CG1 and P9.CB T0187 114 :WPDSS 1l2rA 367 :VASAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 119 :TSEDALKVLEK 1l2rA 397 :EISEVNVILDK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.46521 Ang K8.NZ and K12.NZ T0187 130 :YGIETS 1l2rA 417 :ASAPAG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.30035 Ang T6.O and S7.CB neighbor-bump: 2.64922 Ang T6.C and S7.CB T0187 136 :ESVKRAILQETPK 1l2rA 438 :EEYMQVYDGARKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues Number of specific fragments= 16 total=100 Number of alignments=11 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2rA/T0187-1l2rA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1l2rA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2rA/T0187-1l2rA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1l2rA in template set T0187 3 :PD 1l2rA 7 :FD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 5 :ENTIKTT 1l2rA 60 :EKLFKAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 12 :RRVLELVDQLN 1l2rA 89 :DEIWDAINNVQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 23 :END 1l2rA 118 :VGD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 26 :TVLF 1l2rA 125 :IVQG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:1.61501 Ang V3.CG1 and F5.CZ other bump:2.73121 Ang V3.CG1 and F5.CE2 other bump:2.37558 Ang V3.CB and F5.CE1 other bump:1.13061 Ang V3.CG1 and F5.CE1 other bump:2.20983 Ang V3.CG1 and F5.CD1 other bump:3.13276 Ang V3.CG1 and F5.CG T0187 30 :LLSGGG 1l2rA 134 :PISEDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 36 :SSLFELPLEGV 1l2rA 163 :SVRGKSPIPKS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:1.9135 Ang L9.O and V12.CG1 other bump:2.93161 Ang L9.C and V12.CG1 T0187 48 :LEEIQKLTSALLKSGA 1l2rA 181 :KTETRLIKNACAMAGR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.27997 Ang L13.CD2 and G18.CA other bump:1.85741 Ang E3.OE2 and K7.CE other bump:2.64627 Ang E3.CD and K7.CD other bump:1.84113 Ang E3.OE2 and K7.CD T0187 64 :SIEEINTVRKHLSQVK 1l2rA 239 :DLDAISVIAHYKGNSD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.60303 Ang N7.CG and R10.NH2 other bump:1.43342 Ang N7.OD1 and R10.NH2 other bump:2.93465 Ang I6.CG2 and R10.NH1 other bump:2.59489 Ang N7.OD1 and R10.CZ T0187 80 :GG 1l2rA 265 :GG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 82 :RFAERVFPAKVVA 1l2rA 283 :INAVLMSSASWHL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.74196 Ang A4.CB and V13.CG2 other bump:2.27092 Ang E5.OE1 and A10.O neighbor-bump: 2.24099 Ang F8.O and P9.CD self-bump: 2.22864 Ang P9.CA and P9.CD neighbor-bump: 1.70401 Ang F8.C and P9.CD self-bump: 1.39939 Ang P9.CA and P9.CB neighbor-bump: 3.09267 Ang R6.CZ and V7.CG2 other bump:2.58997 Ang F3.CD1 and V7.CG2 other bump:1.79867 Ang F3.CE1 and V7.CG2 neighbor-bump: 2.7801 Ang R6.NH2 and V7.CG2 other bump:2.15426 Ang F3.CZ and V7.CG2 other bump:3.08645 Ang F3.CE2 and V7.CG2 other bump:2.79656 Ang F3.CZ and V7.CG1 other bump:2.98245 Ang F3.CE1 and V7.CB other bump:2.68324 Ang F3.CZ and V7.CB other bump:3.1125 Ang F3.CE2 and V7.CB other bump:2.19806 Ang F3.CE1 and R6.NH2 T0187 95 :LVLSDVLGDR 1l2rA 330 :SGNQYYPCAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 105 :LDVIASGPA 1l2rA 354 :ITDTASGRE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77618 Ang V4.CG1 and P9.CG other bump:2.79215 Ang V4.CG1 and P9.CB T0187 114 :WPDSS 1l2rA 367 :VASAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 119 :TSEDALKVLEK 1l2rA 397 :EISEVNVILDK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.46521 Ang K8.NZ and K12.NZ T0187 131 :GIE 1l2rA 414 :KNY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 134 :TS 1l2rA 419 :AP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 136 :ESVKRAILQETPK 1l2rA 438 :EEYMQVYDGARKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues Number of specific fragments= 18 total=118 Number of alignments=12 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2qA/T0187-1l2qA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1l2qA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2qA/T0187-1l2qA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # adding 1l2qA to template set 1l2qA:Skipped atom 24, because occupancy 0.5 <= existing 0.500001 Skipped atom 26, because occupancy 0.5 <= existing 0.500001 Skipped atom 28, because occupancy 0.5 <= existing 0.500001 Skipped atom 30, because occupancy 0.5 <= existing 0.500001 Skipped atom 32, because occupancy 0.5 <= existing 0.500001 Skipped atom 34, because occupancy 0.5 <= existing 0.500001 Skipped atom 36, because occupancy 0.5 <= existing 0.500001 Skipped atom 179, because occupancy 0.5 <= existing 0.500001 Skipped atom 181, because occupancy 0.5 <= existing 0.500001 Skipped atom 183, because occupancy 0.5 <= existing 0.500001 Skipped atom 185, because occupancy 0.5 <= existing 0.500001 Skipped atom 356, because occupancy 0.35 <= existing 0.650001 Skipped atom 358, because occupancy 0.35 <= existing 0.650001 Skipped atom 360, because occupancy 0.35 <= existing 0.650001 Skipped atom 362, because occupancy 0.35 <= existing 0.650001 Skipped atom 364, because occupancy 0.35 <= existing 0.650001 Skipped atom 476, because occupancy 0.5 <= existing 0.500001 Skipped atom 478, because occupancy 0.5 <= existing 0.500001 Skipped atom 480, because occupancy 0.5 <= existing 0.500001 Skipped atom 482, because occupancy 0.5 <= existing 0.500001 Skipped atom 484, because occupancy 0.5 <= existing 0.500001 Skipped atom 490, because occupancy 0.45 <= existing 0.550001 Skipped atom 492, because occupancy 0.45 <= existing 0.550001 Skipped atom 494, because occupancy 0.45 <= existing 0.550001 Skipped atom 496, because occupancy 0.45 <= existing 0.550001 Skipped atom 557, because occupancy 0.4 <= existing 0.600001 Skipped atom 559, because occupancy 0.4 <= existing 0.600001 Skipped atom 561, because occupancy 0.4 <= existing 0.600001 Skipped atom 587, because occupancy 0.4 <= existing 0.600001 Skipped atom 589, because occupancy 0.4 <= existing 0.600001 Skipped atom 591, because occupancy 0.4 <= existing 0.600001 Skipped atom 593, because occupancy 0.4 <= existing 0.600001 Skipped atom 595, because occupancy 0.4 <= existing 0.600001 Skipped atom 625, because occupancy 0.3 <= existing 0.700001 Skipped atom 627, because occupancy 0.3 <= existing 0.700001 Skipped atom 629, because occupancy 0.3 <= existing 0.700001 Skipped atom 631, because occupancy 0.3 <= existing 0.700001 Skipped atom 633, because occupancy 0.3 <= existing 0.700001 Skipped atom 736, because occupancy 0.4 <= existing 0.600001 Skipped atom 738, because occupancy 0.4 <= existing 0.600001 Skipped atom 1000, because occupancy 0.5 <= existing 0.500001 Skipped atom 1002, because occupancy 0.5 <= existing 0.500001 Skipped atom 1375, because occupancy 0.5 <= existing 0.500001 Skipped atom 1377, because occupancy 0.5 <= existing 0.500001 Skipped atom 1391, because occupancy 0.5 <= existing 0.500001 Skipped atom 1394, because occupancy 0.5 <= existing 0.500001 Skipped atom 1543, because occupancy 0.3 <= existing 0.700001 Skipped atom 1545, because occupancy 0.3 <= existing 0.700001 Skipped atom 1547, because occupancy 0.3 <= existing 0.700001 Skipped atom 1549, because occupancy 0.3 <= existing 0.700001 Skipped atom 1629, because occupancy 0.4 <= existing 0.600001 Skipped atom 1631, because occupancy 0.4 <= existing 0.600001 Skipped atom 1633, because occupancy 0.4 <= existing 0.600001 Skipped atom 1635, because occupancy 0.4 <= existing 0.600001 Skipped atom 1637, because occupancy 0.4 <= existing 0.600001 Skipped atom 1772, because occupancy 0.45 <= existing 0.550001 Skipped atom 1774, because occupancy 0.45 <= existing 0.550001 Skipped atom 1776, because occupancy 0.45 <= existing 0.550001 Skipped atom 1782, because occupancy 0.4 <= existing 0.600001 Skipped atom 1784, because occupancy 0.4 <= existing 0.600001 Skipped atom 1821, because occupancy 0.4 <= existing 0.600001 Skipped atom 1823, because occupancy 0.4 <= existing 0.600001 Skipped atom 1825, because occupancy 0.4 <= existing 0.600001 Skipped atom 1827, because occupancy 0.4 <= existing 0.600001 Skipped atom 1829, because occupancy 0.4 <= existing 0.600001 Skipped atom 2028, because occupancy 0.5 <= existing 0.500001 Skipped atom 2031, because occupancy 0.5 <= existing 0.500001 Skipped atom 2061, because occupancy 0.4 <= existing 0.600001 Skipped atom 2063, because occupancy 0.4 <= existing 0.600001 Skipped atom 2065, because occupancy 0.4 <= existing 0.600001 Skipped atom 2067, because occupancy 0.4 <= existing 0.600001 Skipped atom 2069, because occupancy 0.4 <= existing 0.600001 Skipped atom 2085, because occupancy 0.4 <= existing 0.600001 Skipped atom 2087, because occupancy 0.4 <= existing 0.600001 Skipped atom 2089, because occupancy 0.4 <= existing 0.600001 Skipped atom 2103, because occupancy 0.5 <= existing 0.500001 Skipped atom 2106, because occupancy 0.5 <= existing 0.500001 Skipped atom 3018, because occupancy 0.5 <= existing 0.500001 Skipped atom 3020, because occupancy 0.5 <= existing 0.500001 Skipped atom 3022, because occupancy 0.5 <= existing 0.500001 Skipped atom 3024, because occupancy 0.5 <= existing 0.500001 Skipped atom 3026, because occupancy 0.5 <= existing 0.500001 Skipped atom 3044, because occupancy 0.5 <= existing 0.500001 Skipped atom 3046, because occupancy 0.5 <= existing 0.500001 Skipped atom 3048, because occupancy 0.5 <= existing 0.500001 Skipped atom 3050, because occupancy 0.5 <= existing 0.500001 Skipped atom 3052, because occupancy 0.5 <= existing 0.500001 Skipped atom 3054, because occupancy 0.5 <= existing 0.500001 Skipped atom 3056, because occupancy 0.5 <= existing 0.500001 Skipped atom 3091, because occupancy 0.5 <= existing 0.500001 Skipped atom 3093, because occupancy 0.5 <= existing 0.500001 Skipped atom 3095, because occupancy 0.5 <= existing 0.500001 Skipped atom 3097, because occupancy 0.5 <= existing 0.500001 Skipped atom 3117, because occupancy 0.5 <= existing 0.500001 Skipped atom 3119, because occupancy 0.5 <= existing 0.500001 Skipped atom 3121, because occupancy 0.5 <= existing 0.500001 Skipped atom 3123, because occupancy 0.5 <= existing 0.500001 Skipped atom 3125, because occupancy 0.5 <= existing 0.500001 Skipped atom 3201, because occupancy 0.5 <= existing 0.500001 Skipped atom 3203, because occupancy 0.5 <= existing 0.500001 Skipped atom 3239, because occupancy 0.5 <= existing 0.500001 Skipped atom 3241, because occupancy 0.5 <= existing 0.500001 Skipped atom 3243, because occupancy 0.5 <= existing 0.500001 Skipped atom 3245, because occupancy 0.5 <= existing 0.500001 Skipped atom 3348, because occupancy 0.3 <= existing 0.700001 Skipped atom 3350, because occupancy 0.3 <= existing 0.700001 Skipped atom 3427, because occupancy 0.35 <= existing 0.650001 Skipped atom 3429, because occupancy 0.35 <= existing 0.650001 Skipped atom 3431, because occupancy 0.35 <= existing 0.650001 Skipped atom 3433, because occupancy 0.35 <= existing 0.650001 Skipped atom 3435, because occupancy 0.35 <= existing 0.650001 Skipped atom 3471, because occupancy 0.3 <= existing 0.700001 Skipped atom 3473, because occupancy 0.3 <= existing 0.700001 Skipped atom 3475, because occupancy 0.3 <= existing 0.700001 Skipped atom 3477, because occupancy 0.3 <= existing 0.700001 # found chain 1l2qA in template set T0187 3 :PDENTIKTTRRV 1l2qA 7 :FDCYDFYDRAKV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.34334 Ang I7.CG2 and R11.NH1 other bump:2.3542 Ang I7.CG2 and R11.CZ other bump:2.72544 Ang I7.CG2 and R11.NE T0187 15 :LELVDQLN 1l2qA 39 :LKQKYGLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 23 :END 1l2qA 48 :KGE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 26 :TVLF 1l2qA 125 :IVQG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.26373 Ang V3.CG1 and F5.CZ other bump:3.06316 Ang V3.CB and F5.CE2 other bump:1.79124 Ang V3.CG1 and F5.CE2 other bump:2.46868 Ang V3.CG1 and F5.CD2 T0187 30 :LLSGGG 1l2qA 134 :PISEDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 36 :SSLFELPLEGV 1l2qA 163 :SVRGKSPIPKS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:1.91337 Ang L9.O and V12.CG1 other bump:2.93445 Ang L9.C and V12.CG1 T0187 48 :LEEIQKLTSALLKSGA 1l2qA 181 :KTETRLIKNACAMAGR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:3.18106 Ang L13.CG and G18.CA other bump:2.17034 Ang L13.CD2 and G18.CA other bump:1.81687 Ang E3.OE2 and K7.CE other bump:2.60703 Ang E3.CD and K7.CD other bump:1.80124 Ang E3.OE2 and K7.CD T0187 64 :SIEEINTVRKHLSQVK 1l2qA 239 :DLDAISVIAHYKGNSD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:1.43389 Ang N7.OD1 and R10.NH2 other bump:2.61643 Ang N7.CG and R10.NH2 other bump:2.96912 Ang I6.CG2 and R10.NH1 other bump:2.58627 Ang N7.OD1 and R10.CZ T0187 80 :GG 1l2qA 265 :GG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 82 :RFAERVFPAKVVA 1l2qA 283 :INAVLMSSASWHL Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.78946 Ang A4.CB and V13.CG2 other bump:2.21225 Ang E5.OE1 and A10.O neighbor-bump: 2.21229 Ang F8.O and P9.CD self-bump: 2.22681 Ang P9.CA and P9.CD neighbor-bump: 1.68479 Ang F8.C and P9.CD neighbor-bump: 3.11004 Ang R6.CZ and V7.CG2 other bump:2.52127 Ang F3.CD1 and V7.CG2 other bump:1.77376 Ang F3.CE1 and V7.CG2 neighbor-bump: 2.76157 Ang R6.NH2 and V7.CG2 other bump:2.14913 Ang F3.CZ and V7.CG2 other bump:3.05101 Ang F3.CE2 and V7.CG2 other bump:2.80689 Ang F3.CZ and V7.CG1 other bump:2.99414 Ang F3.CE1 and V7.CB other bump:2.71881 Ang F3.CZ and V7.CB other bump:2.25738 Ang F3.CE1 and R6.NH2 T0187 95 :LVLSDVLGDR 1l2qA 330 :SGNQYYPCAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 105 :LDVIASGPA 1l2qA 354 :ITDTASGRE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.71738 Ang V4.CG1 and P9.CG other bump:2.75399 Ang V4.CG1 and P9.CB T0187 114 :WPDSS 1l2qA 367 :VASAK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.69443 Ang D4.C and S5.CB T0187 119 :TSEDALKVLEK 1l2qA 397 :EISEVNVILDK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.47265 Ang K8.NZ and K12.NZ T0187 131 :GIE 1l2qA 414 :KNY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 134 :TS 1l2qA 419 :AP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 136 :ESVKRAILQETPK 1l2qA 438 :EEYMQVYDGARKK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.38313 Ang E2.CG and R6.NH1 other bump:3.13586 Ang E2.CG and R6.CZ Number of specific fragments= 17 total=135 Number of alignments=13 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2qA/T0187-1l2qA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1l2qA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2qA/T0187-1l2qA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1l2qA in template set T0187 3 :PDENTIKTTRRV 1l2qA 7 :FDCYDFYDRAKV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.34334 Ang I7.CG2 and R11.NH1 other bump:2.3542 Ang I7.CG2 and R11.CZ other bump:2.72544 Ang I7.CG2 and R11.NE T0187 15 :LELVDQLN 1l2qA 39 :LKQKYGLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 23 :END 1l2qA 48 :KGE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 26 :TVLF 1l2qA 125 :IVQG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.26373 Ang V3.CG1 and F5.CZ other bump:3.06316 Ang V3.CB and F5.CE2 other bump:1.79124 Ang V3.CG1 and F5.CE2 other bump:2.46868 Ang V3.CG1 and F5.CD2 T0187 30 :LLSGGG 1l2qA 134 :PISEDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 36 :SSLFELPLEGV 1l2qA 163 :SVRGKSPIPKS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:1.91337 Ang L9.O and V12.CG1 other bump:2.93445 Ang L9.C and V12.CG1 T0187 48 :LEEIQKLTSALLKSGA 1l2qA 181 :KTETRLIKNACAMAGR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:3.18106 Ang L13.CG and G18.CA other bump:2.17034 Ang L13.CD2 and G18.CA other bump:1.81687 Ang E3.OE2 and K7.CE other bump:2.60703 Ang E3.CD and K7.CD other bump:1.80124 Ang E3.OE2 and K7.CD T0187 64 :SIEEINTVRKHLSQVK 1l2qA 239 :DLDAISVIAHYKGNSD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:1.43389 Ang N7.OD1 and R10.NH2 other bump:2.61643 Ang N7.CG and R10.NH2 other bump:2.96912 Ang I6.CG2 and R10.NH1 other bump:2.58627 Ang N7.OD1 and R10.CZ T0187 80 :GG 1l2qA 265 :GG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 82 :RFAERVFPAKVVA 1l2qA 283 :INAVLMSSASWHL Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.78946 Ang A4.CB and V13.CG2 other bump:2.21225 Ang E5.OE1 and A10.O neighbor-bump: 2.21229 Ang F8.O and P9.CD self-bump: 2.22681 Ang P9.CA and P9.CD neighbor-bump: 1.68479 Ang F8.C and P9.CD neighbor-bump: 3.11004 Ang R6.CZ and V7.CG2 other bump:2.52127 Ang F3.CD1 and V7.CG2 other bump:1.77376 Ang F3.CE1 and V7.CG2 neighbor-bump: 2.76157 Ang R6.NH2 and V7.CG2 other bump:2.14913 Ang F3.CZ and V7.CG2 other bump:3.05101 Ang F3.CE2 and V7.CG2 other bump:2.80689 Ang F3.CZ and V7.CG1 other bump:2.99414 Ang F3.CE1 and V7.CB other bump:2.71881 Ang F3.CZ and V7.CB other bump:2.25738 Ang F3.CE1 and R6.NH2 T0187 95 :LVLSDVLGDR 1l2qA 330 :SGNQYYPCAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 105 :LDVIASGPA 1l2qA 354 :ITDTASGRE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.71738 Ang V4.CG1 and P9.CG other bump:2.75399 Ang V4.CG1 and P9.CB T0187 114 :WPDSS 1l2qA 367 :VASAK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.69443 Ang D4.C and S5.CB T0187 119 :TSEDALKVLEK 1l2qA 397 :EISEVNVILDK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.47265 Ang K8.NZ and K12.NZ T0187 130 :YGIETS 1l2qA 417 :ASAPAG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.66331 Ang T6.C and S7.CB T0187 136 :ESVKRAILQETPK 1l2qA 438 :EEYMQVYDGARKK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.38313 Ang E2.CG and R6.NH1 other bump:3.13586 Ang E2.CG and R6.CZ Number of specific fragments= 16 total=151 Number of alignments=14 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1mroB/T0187-1mroB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1mroB read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1mroB/T0187-1mroB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # adding 1mroB to template set 1mroB:Skipped atom 4535, because occupancy 0.33 <= existing 0.670001 Skipped atom 4537, because occupancy 0.33 <= existing 0.670001 Skipped atom 4539, because occupancy 0.33 <= existing 0.670001 Skipped atom 4541, because occupancy 0.33 <= existing 0.670001 Skipped atom 4543, because occupancy 0.33 <= existing 0.670001 Skipped atom 4545, because occupancy 0.33 <= existing 0.670001 Skipped atom 4547, because occupancy 0.33 <= existing 0.670001 Skipped atom 4826, because occupancy 0.5 <= existing 0.500001 Skipped atom 4828, because occupancy 0.5 <= existing 0.500001 Skipped atom 4830, because occupancy 0.5 <= existing 0.500001 Skipped atom 5079, because occupancy 0.5 <= existing 0.500001 Skipped atom 5081, because occupancy 0.5 <= existing 0.500001 Skipped atom 5083, because occupancy 0.5 <= existing 0.500001 Skipped atom 5085, because occupancy 0.5 <= existing 0.500001 Skipped atom 5087, because occupancy 0.5 <= existing 0.500001 Skipped atom 5184, because occupancy 0.5 <= existing 0.500001 Skipped atom 5186, because occupancy 0.5 <= existing 0.500001 Skipped atom 5693, because occupancy 0.5 <= existing 0.500001 Skipped atom 5695, because occupancy 0.5 <= existing 0.500001 Skipped atom 5697, because occupancy 0.5 <= existing 0.500001 Skipped atom 5699, because occupancy 0.5 <= existing 0.500001 Skipped atom 5783, because occupancy 0.2 <= existing 0.800001 Skipped atom 5785, because occupancy 0.2 <= existing 0.800001 Skipped atom 5855, because occupancy 0.33 <= existing 0.670001 Skipped atom 5857, because occupancy 0.33 <= existing 0.670001 Skipped atom 5859, because occupancy 0.33 <= existing 0.670001 Skipped atom 5861, because occupancy 0.33 <= existing 0.670001 Skipped atom 5863, because occupancy 0.33 <= existing 0.670001 Skipped atom 5924, because occupancy 0.2 <= existing 0.800001 Skipped atom 5926, because occupancy 0.2 <= existing 0.800001 Skipped atom 5932, because occupancy 0.33 <= existing 0.670001 Skipped atom 5934, because occupancy 0.33 <= existing 0.670001 Skipped atom 5936, because occupancy 0.33 <= existing 0.670001 Skipped atom 6089, because occupancy 0.2 <= existing 0.800001 Skipped atom 6091, because occupancy 0.2 <= existing 0.800001 Skipped atom 6093, because occupancy 0.2 <= existing 0.800001 Skipped atom 6394, because occupancy 0.2 <= existing 0.800001 Skipped atom 6396, because occupancy 0.2 <= existing 0.800001 Skipped atom 6398, because occupancy 0.2 <= existing 0.800001 Skipped atom 6840, because occupancy 0.2 <= existing 0.800001 Skipped atom 6842, because occupancy 0.2 <= existing 0.800001 Skipped atom 6844, because occupancy 0.2 <= existing 0.800001 # found chain 1mroB in template set T0187 1 :PVPD 1mroB 2 :AKFE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.34288 Ang V2.CG2 and P3.CD neighbor-bump: 2.61685 Ang V2.N and P3.CD T0187 5 :ENTIKTTRR 1mroB 35 :IKSIVQGIK Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39736 Ang K6.CD and R10.NH2 other bump:1.36061 Ang K6.CE and R10.NH2 other bump:1.96042 Ang K6.NZ and R10.NH2 other bump:2.54566 Ang K6.CE and R10.CZ other bump:3.25827 Ang K6.CE and R10.NE other bump:2.67436 Ang I5.CG2 and R9.NH2 other bump:2.0747 Ang I5.CG2 and R9.NH1 other bump:2.48635 Ang I5.CG2 and R9.CZ other bump:2.25628 Ang T4.O and T8.OG1 T0187 14 :VLELV 1mroB 53 :IENAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 19 :DQLN 1mroB 65 :PACK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 23 :END 1mroB 97 :EDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 31 :LSGGG 1mroB 105 :LLGGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 36 :SSL 1mroB 118 :SAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 39 :FELPLEGV 1mroB 178 :MLDIPQKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 47 :SLEEIQKLTSALLK 1mroB 207 :NTLQAAALSTILEQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 61 :SGASIEEI 1mroB 261 :KEGTVGSV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 69 :NTVRKHLSQ 1mroB 271 :DLVERALED Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 80 :GGRFAERVFPAK 1mroB 354 :GTAVGFSFFSHS Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.85523 Ang V9.CG2 and K13.NZ other bump:2.75329 Ang V9.CB and K13.NZ other bump:1.97337 Ang V9.CG1 and K13.NZ other bump:2.28601 Ang V9.O and K13.CG other bump:3.21608 Ang V9.C and K13.CG other bump:1.96752 Ang E7.O and P11.CD other bump:3.06036 Ang E7.C and P11.CD neighbor-bump: 2.31122 Ang F10.N and P11.CD neighbor-bump: 2.23099 Ang F10.CA and P11.CD neighbor-bump: 1.60482 Ang F10.C and P11.CD self-bump: 1.31244 Ang P11.N and P11.CD other bump:1.80074 Ang E7.O and P11.CG other bump:2.98553 Ang E7.C and P11.CG neighbor-bump: 2.6686 Ang F10.C and P11.CG self-bump: 2.17118 Ang P11.N and P11.CG T0187 98 :SDVLGDRLDVIAS 1mroB 383 :RHSKGFAIPCVAA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.86453 Ang V4.CG2 and R8.NH2 other bump:2.61959 Ang V4.CG2 and R8.NH1 other bump:2.09775 Ang V4.CG2 and R8.CZ other bump:1.92389 Ang V4.CG2 and R8.NE other bump:2.32309 Ang V4.CG2 and R8.CD other bump:3.12997 Ang V4.CG2 and R8.CG other bump:2.93312 Ang V4.CG1 and D7.CB T0187 112 :PAWPDSSTSEDA 1mroB 400 :DAGTQMFSPEAT Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.13204 Ang W4.CZ2 and E11.OE2 other bump:1.93374 Ang W4.CZ3 and E11.OE2 other bump:1.08216 Ang W4.CH2 and E11.OE2 other bump:3.13685 Ang W4.CE3 and E11.OE2 other bump:1.16756 Ang W4.CZ3 and E11.OE1 other bump:2.07204 Ang W4.CH2 and E11.OE1 other bump:2.33471 Ang W4.CE3 and E11.OE1 other bump:3.05275 Ang W4.CZ2 and E11.CD other bump:1.56773 Ang W4.CZ3 and E11.CD other bump:1.75509 Ang W4.CH2 and E11.CD other bump:2.86258 Ang W4.CE3 and E11.CD other bump:2.91527 Ang W4.CZ3 and E11.CG other bump:3.19584 Ang W4.CH2 and E11.CG other bump:2.47141 Ang D6.O and T9.CG2 neighbor-bump: 2.34402 Ang W4.N and P5.CD neighbor-bump: 2.47558 Ang A3.C and W4.CD1 neighbor-bump: 2.25719 Ang A3.O and W4.CD1 T0187 124 :LKVLEKYGIE 1mroB 413 :GLIKEVFSQV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 134 :TSESVKRAILQETPKH 1mroB 427 :EPLKYVVEAAAEIKNE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.6992 Ang R8.NH1 and L11.CD1 Number of specific fragments= 16 total=167 Number of alignments=15 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1mroB/T0187-1mroB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1mroB read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1mroB/T0187-1mroB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1mroB in template set T0187 1 :PVPD 1mroB 2 :AKFE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.34288 Ang V2.CG2 and P3.CD neighbor-bump: 2.61685 Ang V2.N and P3.CD T0187 5 :ENTIKTTRR 1mroB 35 :IKSIVQGIK Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39736 Ang K6.CD and R10.NH2 other bump:1.36061 Ang K6.CE and R10.NH2 other bump:1.96042 Ang K6.NZ and R10.NH2 other bump:2.54566 Ang K6.CE and R10.CZ other bump:3.25827 Ang K6.CE and R10.NE other bump:2.67436 Ang I5.CG2 and R9.NH2 other bump:2.0747 Ang I5.CG2 and R9.NH1 other bump:2.48635 Ang I5.CG2 and R9.CZ other bump:2.25628 Ang T4.O and T8.OG1 T0187 14 :VLELV 1mroB 53 :IENAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 19 :DQLN 1mroB 70 :MGRE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.22263 Ang D2.O and Q3.CB neighbor-bump: 2.59421 Ang D2.C and Q3.CB T0187 23 :END 1mroB 97 :EDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 31 :LSGGG 1mroB 105 :LLGGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 36 :SSL 1mroB 118 :SAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 39 :FELPLEGV 1mroB 178 :MLDIPQKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 47 :SLEEIQKLTSALLK 1mroB 207 :NTLQAAALSTILEQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 61 :SGASIEEI 1mroB 261 :KEGTVGSV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 69 :NTVRKHLSQVK 1mroB 271 :DLVERALEDGV Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:3.09001 Ang H7.CD2 and G13.CA other bump:2.51437 Ang H7.NE2 and G13.CA other bump:2.8928 Ang H7.CD2 and G13.N other bump:2.66173 Ang H7.CE1 and G13.N other bump:2.30788 Ang H7.NE2 and G13.N other bump:2.50859 Ang H7.CE1 and K12.C other bump:2.47151 Ang H7.ND1 and K12.CB other bump:2.41641 Ang H7.CE1 and K12.CB other bump:3.01259 Ang H7.CE1 and K12.CA neighbor-bump: 2.31461 Ang Q10.O and V11.CB neighbor-bump: 2.5196 Ang Q10.C and V11.CB T0187 80 :GGRFAERVFPAK 1mroB 354 :GTAVGFSFFSHS Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.85523 Ang V9.CG2 and K13.NZ other bump:2.75329 Ang V9.CB and K13.NZ other bump:1.97337 Ang V9.CG1 and K13.NZ other bump:2.28601 Ang V9.O and K13.CG other bump:3.21608 Ang V9.C and K13.CG other bump:1.96752 Ang E7.O and P11.CD other bump:3.06036 Ang E7.C and P11.CD neighbor-bump: 2.31122 Ang F10.N and P11.CD neighbor-bump: 2.23099 Ang F10.CA and P11.CD neighbor-bump: 1.60482 Ang F10.C and P11.CD self-bump: 1.31244 Ang P11.N and P11.CD other bump:1.80074 Ang E7.O and P11.CG other bump:2.98553 Ang E7.C and P11.CG neighbor-bump: 2.6686 Ang F10.C and P11.CG self-bump: 2.17118 Ang P11.N and P11.CG T0187 98 :SDVLGDRLDVIAS 1mroB 383 :RHSKGFAIPCVAA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.86453 Ang V4.CG2 and R8.NH2 other bump:2.61959 Ang V4.CG2 and R8.NH1 other bump:2.09775 Ang V4.CG2 and R8.CZ other bump:1.92389 Ang V4.CG2 and R8.NE other bump:2.32309 Ang V4.CG2 and R8.CD other bump:3.12997 Ang V4.CG2 and R8.CG other bump:2.93312 Ang V4.CG1 and D7.CB T0187 112 :PAWPDSSTSEDA 1mroB 400 :DAGTQMFSPEAT Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.13204 Ang W4.CZ2 and E11.OE2 other bump:1.93374 Ang W4.CZ3 and E11.OE2 other bump:1.08216 Ang W4.CH2 and E11.OE2 other bump:3.13685 Ang W4.CE3 and E11.OE2 other bump:1.16756 Ang W4.CZ3 and E11.OE1 other bump:2.07204 Ang W4.CH2 and E11.OE1 other bump:2.33471 Ang W4.CE3 and E11.OE1 other bump:3.05275 Ang W4.CZ2 and E11.CD other bump:1.56773 Ang W4.CZ3 and E11.CD other bump:1.75509 Ang W4.CH2 and E11.CD other bump:2.86258 Ang W4.CE3 and E11.CD other bump:2.91527 Ang W4.CZ3 and E11.CG other bump:3.19584 Ang W4.CH2 and E11.CG other bump:2.47141 Ang D6.O and T9.CG2 neighbor-bump: 2.34402 Ang W4.N and P5.CD neighbor-bump: 2.47558 Ang A3.C and W4.CD1 neighbor-bump: 2.25719 Ang A3.O and W4.CD1 T0187 124 :LKVLEKYGIE 1mroB 413 :GLIKEVFSQV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 134 :TSESVKRAILQETPKH 1mroB 427 :EPLKYVVEAAAEIKNE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.6992 Ang R8.NH1 and L11.CD1 Number of specific fragments= 16 total=183 Number of alignments=16 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1bouB/T0187-1bouB-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1bouB read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1bouB/T0187-1bouB-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 3 :P 1bouB 3 :R Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :DENTIKTTRRVLELVDQLNENDTVLFLL 1bouB 30 :WGPVFKGYQPIRDWIKQPGNMPDVVILV Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.34674 Ang D23.CG and L26.CD2 other bump:2.37105 Ang D23.OD1 and L26.CD2 other bump:1.76217 Ang D23.OD2 and L26.CD2 other bump:1.25701 Ang L15.O and E21.OE1 other bump:2.31693 Ang L15.C and E21.OE1 other bump:2.50309 Ang L15.O and E21.CD other bump:2.24347 Ang E14.O and D17.OD1 other bump:2.71011 Ang E14.C and D17.OD1 other bump:2.50482 Ang R10.NE and E14.OE2 other bump:1.26891 Ang R10.CZ and E14.OE2 other bump:1.13393 Ang R10.NH1 and E14.OE2 other bump:1.61052 Ang R10.NH2 and E14.OE2 other bump:2.22057 Ang R10.CZ and E14.CD other bump:2.27161 Ang R10.NH1 and E14.CD other bump:2.15239 Ang R10.NH2 and E14.CD T0187 32 :SGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEIN 1bouB 84 :ADEGWGPRPVPDVKGHPDLAWHIAQSLILDEFDMTIMN Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.91532 Ang L29.N and I35.CD1 other bump:2.39847 Ang T25.O and I35.CD1 other bump:2.29799 Ang V16.CG1 and I21.CD1 other bump:2.99988 Ang S17.N and I21.CD1 neighbor-bump: 3.2178 Ang V16.CG1 and S17.C neighbor-bump: 2.33836 Ang V16.CG1 and S17.N other bump:2.22587 Ang F9.CE2 and L11.CD1 other bump:2.21094 Ang F9.CD2 and L11.CD1 other bump:2.3814 Ang F9.CE2 and L11.CG other bump:2.32788 Ang F9.CD2 and L11.CG neighbor-bump: 1.78613 Ang S6.O and S7.OG neighbor-bump: 2.64213 Ang S6.C and S7.OG neighbor-bump: 2.27793 Ang S6.O and S7.CB neighbor-bump: 2.65917 Ang S6.C and S7.CB T0187 70 :TVRKHLSQVKG 1bouB 128 :GCTVPLSMIFG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 3.22293 Ang V3.CG1 and R4.NH1 T0187 88 :FPAKVVALVLSDVLGDRL 1bouB 143 :WPCKVIPFPVNVVTYPPP Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.85096 Ang D13.O and R18.NH2 other bump:2.90223 Ang D13.C and R18.NH2 other bump:2.3287 Ang D13.C and R18.NH1 other bump:1.90442 Ang D13.CA and R18.NH1 other bump:1.01258 Ang D13.CB and R18.NH1 other bump:2.14222 Ang D13.CG and R18.NH1 other bump:1.75988 Ang D13.O and R18.CZ other bump:2.4353 Ang D13.C and R18.CZ other bump:2.59541 Ang D13.CA and R18.CZ other bump:2.30549 Ang D13.CB and R18.CZ other bump:3.09159 Ang D13.CA and R18.CD other bump:2.92113 Ang D13.CA and R18.CG T0187 106 :DVIASGPAWP 1bouB 174 :AAVESFPEDL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:1.96183 Ang A9.O and P11.CD other bump:2.436 Ang A9.C and P11.CD T0187 116 :DSSTSEDALKVLEKYGIETSESVKRAILQETPKHL 1bouB 210 :DLNFIDKLISDPEELSKMPHIQYLRESGSEGVELV Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.0947 Ang Q30.C and P33.CD other bump:3.17255 Ang E31.CA and P33.CD other bump:2.43419 Ang E31.C and P33.CD neighbor-bump: 2.13303 Ang T32.N and P33.CD self-bump: 1.35336 Ang P33.N and P33.CD other bump:2.45006 Ang Q30.O and P33.CG other bump:3.27082 Ang Q30.C and P33.CG self-bump: 2.21856 Ang P33.N and P33.CG other bump:3.06025 Ang V24.CG1 and P33.CA other bump:2.88625 Ang I28.CD1 and T32.C other bump:2.63804 Ang I28.CD1 and T32.O other bump:1.43484 Ang I28.O and T32.OG1 other bump:2.5106 Ang I28.C and T32.OG1 other bump:3.03311 Ang I28.CA and T32.CG2 other bump:1.92815 Ang I28.CB and T32.CG2 other bump:1.92712 Ang I28.CG1 and T32.CG2 other bump:2.22498 Ang I28.CD1 and T32.CG2 other bump:3.09763 Ang I28.C and T32.CG2 other bump:2.89266 Ang I28.CB and T32.CB other bump:2.40175 Ang I28.CG1 and T32.CB other bump:2.96154 Ang I28.CD1 and T32.CB other bump:2.23016 Ang I28.O and T32.CB other bump:2.76466 Ang I28.C and T32.CB other bump:2.07702 Ang V24.CG1 and I28.CD1 other bump:2.66387 Ang V24.CG1 and I28.CG1 other bump:2.2683 Ang E19.OE1 and S23.OG other bump:2.90748 Ang E19.CD and S23.CB other bump:1.99497 Ang E19.OE1 and S23.CB other bump:2.1863 Ang T5.CG2 and Y16.OH other bump:2.69143 Ang T5.CG2 and Y16.CZ other bump:2.75928 Ang A9.CA and L13.CD2 other bump:2.85644 Ang A9.C and L13.CD2 other bump:2.27172 Ang A9.O and L13.CD2 other bump:2.38475 Ang A9.O and L13.CG neighbor-bump: 2.55324 Ang K11.O and V12.CG2 neighbor-bump: 2.8695 Ang K11.C and V12.CG2 Number of specific fragments= 7 total=190 Number of alignments=17 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1bouB/T0187-1bouB-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1bouB read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1bouB/T0187-1bouB-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 5 :ENTIKTTRRVLELVDQLNE 1bouB 31 :GPVFKGYQPIRDWIKQPGN Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.88096 Ang L14.CD1 and E20.OE2 other bump:2.41793 Ang L14.CD2 and E20.OE1 other bump:2.76826 Ang L14.CD1 and E20.OE1 other bump:2.71011 Ang E13.C and D16.OD1 other bump:2.24347 Ang E13.O and D16.OD1 other bump:2.50482 Ang R9.NE and E13.OE2 other bump:1.26891 Ang R9.CZ and E13.OE2 other bump:1.13393 Ang R9.NH1 and E13.OE2 other bump:1.61052 Ang R9.NH2 and E13.OE2 other bump:2.22057 Ang R9.CZ and E13.CD other bump:2.27161 Ang R9.NH1 and E13.CD other bump:2.15239 Ang R9.NH2 and E13.CD T0187 24 :NDTVLFLLSGGGSSL 1bouB 51 :PDVVILVYNDHASAF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.3547 Ang N2.ND2 and V5.CG2 T0187 40 :ELPLEGVSLEEIQKLTSALLKSGASIEEIN 1bouB 92 :PVPDVKGHPDLAWHIAQSLILDEFDMTIMN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.91532 Ang L21.N and I27.CD1 other bump:2.39847 Ang T17.O and I27.CD1 other bump:2.29799 Ang V8.CG1 and I13.CD1 other bump:2.99988 Ang S9.N and I13.CD1 neighbor-bump: 3.2178 Ang V8.CG1 and S9.C neighbor-bump: 2.33836 Ang V8.CG1 and S9.N T0187 70 :TVRKHLSQVKGGR 1bouB 128 :GCTVPLSMIFGEP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 3.22293 Ang V3.CG1 and R4.NH1 T0187 86 :RVFPAKVVALVLSDVLGDRL 1bouB 141 :EEWPCKVIPFPVNVVTYPPP Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.85096 Ang D15.O and R20.NH2 other bump:2.90223 Ang D15.C and R20.NH2 other bump:2.3287 Ang D15.C and R20.NH1 other bump:1.01258 Ang D15.CB and R20.NH1 other bump:2.14222 Ang D15.CG and R20.NH1 other bump:1.90442 Ang D15.CA and R20.NH1 other bump:1.75988 Ang D15.O and R20.CZ other bump:2.4353 Ang D15.C and R20.CZ other bump:2.30549 Ang D15.CB and R20.CZ other bump:2.59541 Ang D15.CA and R20.CZ other bump:3.09159 Ang D15.CA and R20.CD other bump:2.92113 Ang D15.CA and R20.CG T0187 106 :DVIASGPAWP 1bouB 174 :AAVESFPEDL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:1.96183 Ang A9.O and P11.CD other bump:2.436 Ang A9.C and P11.CD T0187 119 :TSEDALKVLEKYGIE 1bouB 206 :NKEFDLNFIDKLISD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 134 :TSESVKRAILQETP 1bouB 226 :KMPHIQYLRESGSE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.03294 Ang Q12.O and E13.CB neighbor-bump: 2.50524 Ang Q12.C and E13.CB Number of specific fragments= 8 total=198 Number of alignments=18 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1dciA/T0187-1dciA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1dciA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1dciA/T0187-1dciA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1dciA in template set T0187 1 :PVPDENTIKTTRRVLELVDQLNENDTVLFLLSG 1dciA 78 :NAMNRAFWRELVECFQKISKDSDCRAVVVSGAG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.51288 Ang D25.O and T26.CG2 self-bump: 2.176 Ang P1.CA and P1.CD T0187 40 :ELPLEGVSLEEIQ 1dciA 111 :KMFTSGIDLMDMA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.18324 Ang V8.CG1 and I13.CD1 other bump:2.71066 Ang V8.CB and I13.CD1 other bump:2.25661 Ang V8.CG2 and I13.CD1 other bump:2.71985 Ang V8.CG1 and I13.CG1 other bump:3.1462 Ang L5.CG and G7.N other bump:2.98605 Ang L3.CD2 and E6.N other bump:2.84264 Ang L3.CD2 and L5.C self-bump: 1.35776 Ang P4.CA and P4.CB T0187 55 :TSALLKSGASIEEINT 1dciA 124 :SDILQPPGDDVARIAW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 71 :VRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIAS 1dciA 141 :LRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.62751 Ang R13.NH2 and V38.CG2 other bump:1.57308 Ang R13.CZ and V38.CG2 other bump:2.77648 Ang R13.CD and V38.CG2 other bump:1.39987 Ang R13.NE and V38.CG2 other bump:2.84478 Ang R13.NH1 and V38.CG2 other bump:3.07132 Ang R13.NH2 and V38.CB other bump:2.39721 Ang R13.NE and V38.CB other bump:3.13569 Ang R13.CD and V38.CA other bump:2.68255 Ang R13.NE and V38.CA other bump:3.07588 Ang V31.CA and R35.CD other bump:2.55966 Ang V31.CG1 and R35.CB other bump:2.44701 Ang V27.CG2 and V31.CG2 other bump:2.78656 Ang A15.O and F19.CE2 other bump:2.2097 Ang A15.O and F19.CD2 other bump:3.17412 Ang F14.CZ and V18.CG2 other bump:1.52704 Ang F14.CE1 and R17.NH2 other bump:2.24005 Ang F14.CZ and R17.NH2 other bump:2.58301 Ang F14.CE1 and R17.CZ Number of specific fragments= 4 total=202 Number of alignments=19 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1dciA/T0187-1dciA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1dciA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1dciA/T0187-1dciA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1dciA in template set T0187 3 :PDENTIKTTRRVLELVDQLNENDTVLF 1dciA 80 :MNRAFWRELVECFQKISKDSDCRAVVV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.51288 Ang D24.O and T25.CG2 T0187 32 :SGGGSS 1dciA 107 :SGAGKM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 42 :PLEGVSLEEIQ 1dciA 113 :FTSGIDLMDMA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.18324 Ang V6.CG1 and I11.CD1 other bump:2.71066 Ang V6.CB and I11.CD1 other bump:2.25661 Ang V6.CG2 and I11.CD1 other bump:2.71985 Ang V6.CG1 and I11.CG1 other bump:3.14621 Ang L3.CG and G5.N self-bump: 1.35776 Ang P2.CA and P2.CB T0187 55 :TSALLKSGASIEEIN 1dciA 124 :SDILQPPGDDVARIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 70 :TVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIAS 1dciA 140 :YLRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.57308 Ang R14.CZ and V39.CG2 other bump:1.62751 Ang R14.NH2 and V39.CG2 other bump:2.77648 Ang R14.CD and V39.CG2 other bump:1.39987 Ang R14.NE and V39.CG2 other bump:2.84478 Ang R14.NH1 and V39.CG2 other bump:3.07132 Ang R14.NH2 and V39.CB other bump:2.39721 Ang R14.NE and V39.CB other bump:3.13569 Ang R14.CD and V39.CA other bump:2.68255 Ang R14.NE and V39.CA other bump:3.07588 Ang V32.CA and R36.CD other bump:2.55966 Ang V32.CG1 and R36.CB other bump:2.44701 Ang V28.CG2 and V32.CG2 other bump:2.78656 Ang A16.O and F20.CE2 other bump:2.2097 Ang A16.O and F20.CD2 other bump:3.17412 Ang F15.CZ and V19.CG2 other bump:1.52704 Ang F15.CE1 and R18.NH2 other bump:2.24005 Ang F15.CZ and R18.NH2 other bump:2.58301 Ang F15.CE1 and R18.CZ Number of specific fragments= 5 total=207 Number of alignments=20 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1dciA/T0187-1dciA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1dciA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1dciA/T0187-1dciA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1dciA in template set T0187 3 :PDENTIKTTRRVLELVDQLNENDTVLF 1dciA 80 :MNRAFWRELVECFQKISKDSDCRAVVV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.51288 Ang D24.O and T25.CG2 T0187 32 :SGGGSS 1dciA 107 :SGAGKM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 42 :PLEGVSLEEIQ 1dciA 113 :FTSGIDLMDMA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.18324 Ang V6.CG1 and I11.CD1 other bump:2.71066 Ang V6.CB and I11.CD1 other bump:2.25661 Ang V6.CG2 and I11.CD1 other bump:2.71985 Ang V6.CG1 and I11.CG1 other bump:3.14621 Ang L3.CG and G5.N self-bump: 1.35776 Ang P2.CA and P2.CB T0187 55 :TSALLKSGASIEEIN 1dciA 124 :SDILQPPGDDVARIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 70 :TVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIAS 1dciA 140 :YLRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.57308 Ang R14.CZ and V39.CG2 other bump:1.62751 Ang R14.NH2 and V39.CG2 other bump:2.77648 Ang R14.CD and V39.CG2 other bump:1.39987 Ang R14.NE and V39.CG2 other bump:2.84478 Ang R14.NH1 and V39.CG2 other bump:3.07132 Ang R14.NH2 and V39.CB other bump:2.39721 Ang R14.NE and V39.CB other bump:3.13569 Ang R14.CD and V39.CA other bump:2.68255 Ang R14.NE and V39.CA other bump:3.07588 Ang V32.CA and R36.CD other bump:2.55966 Ang V32.CG1 and R36.CB other bump:2.44701 Ang V28.CG2 and V32.CG2 other bump:2.78656 Ang A16.O and F20.CE2 other bump:2.2097 Ang A16.O and F20.CD2 other bump:3.17412 Ang F15.CZ and V19.CG2 other bump:1.52704 Ang F15.CE1 and R18.NH2 other bump:2.24005 Ang F15.CZ and R18.NH2 other bump:2.58301 Ang F15.CE1 and R18.CZ Number of specific fragments= 5 total=212 Number of alignments=21 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1dciA/T0187-1dciA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1dciA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1dciA/T0187-1dciA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1dciA in template set T0187 1 :PVPDENTIKTTRRVLELVDQLNENDTVLFLLSG 1dciA 78 :NAMNRAFWRELVECFQKISKDSDCRAVVVSGAG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.51288 Ang D25.O and T26.CG2 self-bump: 2.176 Ang P1.CA and P1.CD T0187 40 :ELPLEGVSLEEIQ 1dciA 111 :KMFTSGIDLMDMA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.18324 Ang V8.CG1 and I13.CD1 other bump:2.71066 Ang V8.CB and I13.CD1 other bump:2.25661 Ang V8.CG2 and I13.CD1 other bump:2.71985 Ang V8.CG1 and I13.CG1 other bump:3.1462 Ang L5.CG and G7.N other bump:2.98605 Ang L3.CD2 and E6.N other bump:2.84264 Ang L3.CD2 and L5.C self-bump: 1.35776 Ang P4.CA and P4.CB T0187 55 :TSALLKSGASIEEINT 1dciA 124 :SDILQPPGDDVARIAW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 71 :VRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIAS 1dciA 141 :LRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.62751 Ang R13.NH2 and V38.CG2 other bump:1.57308 Ang R13.CZ and V38.CG2 other bump:2.77648 Ang R13.CD and V38.CG2 other bump:1.39987 Ang R13.NE and V38.CG2 other bump:2.84478 Ang R13.NH1 and V38.CG2 other bump:3.07132 Ang R13.NH2 and V38.CB other bump:2.39721 Ang R13.NE and V38.CB other bump:3.13569 Ang R13.CD and V38.CA other bump:2.68255 Ang R13.NE and V38.CA other bump:3.07588 Ang V31.CA and R35.CD other bump:2.55966 Ang V31.CG1 and R35.CB other bump:2.44701 Ang V27.CG2 and V31.CG2 other bump:2.78656 Ang A15.O and F19.CE2 other bump:2.2097 Ang A15.O and F19.CD2 other bump:3.17412 Ang F14.CZ and V18.CG2 other bump:1.52704 Ang F14.CE1 and R17.NH2 other bump:2.24005 Ang F14.CZ and R17.NH2 other bump:2.58301 Ang F14.CE1 and R17.CZ Number of specific fragments= 4 total=216 Number of alignments=22 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxbA/T0187-1xxbA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1xxbA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxbA/T0187-1xxbA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # adding 1xxbA to template set 1xxbA:# found chain 1xxbA in template set T0187 11 :TRRVLELVDQLNENDTVLFLLSGG 1xxbA 105 :AQLIARLLDSLGKAEGILGTIAGD Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.13963 Ang T2.OG1 and G26.CA other bump:2.56567 Ang T2.OG1 and G26.N other bump:2.72753 Ang T2.OG1 and G25.C other bump:3.21342 Ang T2.CB and G25.C other bump:2.78733 Ang R3.NH1 and G24.C other bump:2.7574 Ang R3.CZ and G24.O other bump:3.04822 Ang R3.CZ and G24.CA other bump:2.3411 Ang R3.NH1 and G24.CA other bump:3.10914 Ang R3.NH2 and G24.CA other bump:3.0089 Ang R3.CZ and G24.N other bump:1.80828 Ang R3.NH1 and G24.N other bump:2.39622 Ang R3.CZ and S23.C other bump:1.2044 Ang R3.NH1 and S23.C other bump:1.68245 Ang R3.CZ and S23.O other bump:1.23448 Ang R3.NH1 and S23.O other bump:2.13447 Ang R3.NH2 and S23.O other bump:2.71059 Ang R3.NH1 and S23.OG other bump:2.23114 Ang L6.CD1 and S23.OG other bump:2.24885 Ang R3.CD and S23.OG other bump:2.56369 Ang T2.CG2 and S23.CB other bump:3.23338 Ang T2.C and S23.CB other bump:2.61323 Ang L6.CG and S23.CB other bump:1.21726 Ang L6.CD1 and S23.CB other bump:2.40388 Ang R3.NH1 and S23.CA other bump:2.1313 Ang L6.CD1 and S23.CA other bump:2.68885 Ang L6.CD1 and S23.N other bump:2.37161 Ang D10.OD1 and L21.CD2 other bump:2.84794 Ang D10.CG and L21.CD2 other bump:2.53329 Ang L6.O and L21.CD1 other bump:2.53977 Ang D10.OD1 and L21.CD1 other bump:2.4669 Ang V9.CB and L21.CD1 other bump:2.51166 Ang V9.CG1 and L21.CD1 neighbor-bump: 1.87991 Ang D16.O and T17.OG1 neighbor-bump: 2.66138 Ang D16.C and T17.OG1 other bump:1.66536 Ang N13.O and D16.OD2 other bump:2.70555 Ang N13.C and D16.OD2 other bump:2.58659 Ang L12.CA and D16.OD1 other bump:2.29795 Ang L12.CB and D16.OD1 other bump:2.80026 Ang L12.C and D16.OD1 other bump:2.15356 Ang L12.CD2 and D16.OD1 neighbor-bump: 2.40366 Ang L12.O and N13.CG other bump:2.39953 Ang T2.O and L6.CG T0187 36 :SSLFELPLEGVSLEEIQKLTSAL 1xxbA 129 :DTIFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.54479 Ang P8.N and I17.CD1 other bump:1.85068 Ang P8.CG and I17.CD1 other bump:2.77248 Ang P8.CD and I17.CD1 other bump:2.01795 Ang P8.CA and I17.CD1 other bump:1.73648 Ang P8.CB and I17.CD1 other bump:3.02936 Ang P8.CB and I17.CG1 other bump:2.9032 Ang V12.CG2 and I17.CG1 other bump:3.07111 Ang P8.CG and L14.CD2 other bump:2.85436 Ang P8.CD and L14.CD2 other bump:2.98724 Ang P8.CB and V12.CG1 other bump:2.95144 Ang L9.N and V12.CG1 other bump:2.19077 Ang L9.O and V12.CG1 Number of specific fragments= 2 total=218 Number of alignments=23 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxbA/T0187-1xxbA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1xxbA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxbA/T0187-1xxbA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1xxbA in template set T0187 11 :TRRVLELVDQLNENDTVLFLLSGGGS 1xxbA 105 :AQLIARLLDSLGKAEGILGTIAGDDT Fragment has 44 clashes (null) has 44 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.23826 Ang T2.CG2 and S27.C other bump:2.59267 Ang T2.OG1 and G26.C other bump:2.13963 Ang T2.OG1 and G26.CA other bump:2.56567 Ang T2.OG1 and G26.N other bump:2.72753 Ang T2.OG1 and G25.C other bump:3.21342 Ang T2.CB and G25.C other bump:2.78733 Ang R3.NH1 and G24.C other bump:2.7574 Ang R3.CZ and G24.O other bump:3.04822 Ang R3.CZ and G24.CA other bump:2.3411 Ang R3.NH1 and G24.CA other bump:3.10914 Ang R3.NH2 and G24.CA other bump:3.0089 Ang R3.CZ and G24.N other bump:1.80828 Ang R3.NH1 and G24.N other bump:2.39622 Ang R3.CZ and S23.C other bump:1.2044 Ang R3.NH1 and S23.C other bump:1.68245 Ang R3.CZ and S23.O other bump:1.23448 Ang R3.NH1 and S23.O other bump:2.13447 Ang R3.NH2 and S23.O other bump:2.71059 Ang R3.NH1 and S23.OG other bump:2.23114 Ang L6.CD1 and S23.OG other bump:2.24885 Ang R3.CD and S23.OG other bump:2.56369 Ang T2.CG2 and S23.CB other bump:3.23338 Ang T2.C and S23.CB other bump:2.61323 Ang L6.CG and S23.CB other bump:1.21726 Ang L6.CD1 and S23.CB other bump:2.40388 Ang R3.NH1 and S23.CA other bump:2.1313 Ang L6.CD1 and S23.CA other bump:2.68885 Ang L6.CD1 and S23.N other bump:2.37161 Ang D10.OD1 and L21.CD2 other bump:2.84794 Ang D10.CG and L21.CD2 other bump:2.53329 Ang L6.O and L21.CD1 other bump:2.53977 Ang D10.OD1 and L21.CD1 other bump:2.4669 Ang V9.CB and L21.CD1 other bump:2.51166 Ang V9.CG1 and L21.CD1 neighbor-bump: 1.87991 Ang D16.O and T17.OG1 neighbor-bump: 2.66138 Ang D16.C and T17.OG1 other bump:1.66536 Ang N13.O and D16.OD2 other bump:2.70555 Ang N13.C and D16.OD2 other bump:2.58659 Ang L12.CA and D16.OD1 other bump:2.29795 Ang L12.CB and D16.OD1 other bump:2.80026 Ang L12.C and D16.OD1 other bump:2.15356 Ang L12.CD2 and D16.OD1 neighbor-bump: 2.40366 Ang L12.O and N13.CG other bump:2.39953 Ang T2.O and L6.CG T0187 38 :LFELPLEGVSLEEIQKLTSAL 1xxbA 131 :IFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.54479 Ang P6.N and I15.CD1 other bump:2.01795 Ang P6.CA and I15.CD1 other bump:1.85068 Ang P6.CG and I15.CD1 other bump:2.77248 Ang P6.CD and I15.CD1 other bump:1.73648 Ang P6.CB and I15.CD1 other bump:3.02936 Ang P6.CB and I15.CG1 other bump:2.9032 Ang V10.CG2 and I15.CG1 other bump:3.07111 Ang P6.CG and L12.CD2 other bump:2.85436 Ang P6.CD and L12.CD2 other bump:2.98724 Ang P6.CB and V10.CG1 other bump:2.95144 Ang L7.N and V10.CG1 other bump:2.19077 Ang L7.O and V10.CG1 Number of specific fragments= 2 total=220 Number of alignments=24 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxbA/T0187-1xxbA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1xxbA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxbA/T0187-1xxbA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1xxbA in template set T0187 11 :TRRVLELVDQLNENDTVLFLLSGGGS 1xxbA 105 :AQLIARLLDSLGKAEGILGTIAGDDT Fragment has 44 clashes (null) has 44 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.23826 Ang T2.CG2 and S27.C other bump:2.59267 Ang T2.OG1 and G26.C other bump:2.13963 Ang T2.OG1 and G26.CA other bump:2.56567 Ang T2.OG1 and G26.N other bump:2.72753 Ang T2.OG1 and G25.C other bump:3.21342 Ang T2.CB and G25.C other bump:2.78733 Ang R3.NH1 and G24.C other bump:2.7574 Ang R3.CZ and G24.O other bump:3.04822 Ang R3.CZ and G24.CA other bump:2.3411 Ang R3.NH1 and G24.CA other bump:3.10914 Ang R3.NH2 and G24.CA other bump:3.0089 Ang R3.CZ and G24.N other bump:1.80828 Ang R3.NH1 and G24.N other bump:2.39622 Ang R3.CZ and S23.C other bump:1.2044 Ang R3.NH1 and S23.C other bump:1.68245 Ang R3.CZ and S23.O other bump:1.23448 Ang R3.NH1 and S23.O other bump:2.13447 Ang R3.NH2 and S23.O other bump:2.71059 Ang R3.NH1 and S23.OG other bump:2.23114 Ang L6.CD1 and S23.OG other bump:2.24885 Ang R3.CD and S23.OG other bump:2.56369 Ang T2.CG2 and S23.CB other bump:3.23338 Ang T2.C and S23.CB other bump:2.61323 Ang L6.CG and S23.CB other bump:1.21726 Ang L6.CD1 and S23.CB other bump:2.40388 Ang R3.NH1 and S23.CA other bump:2.1313 Ang L6.CD1 and S23.CA other bump:2.68885 Ang L6.CD1 and S23.N other bump:2.37161 Ang D10.OD1 and L21.CD2 other bump:2.84794 Ang D10.CG and L21.CD2 other bump:2.53329 Ang L6.O and L21.CD1 other bump:2.53977 Ang D10.OD1 and L21.CD1 other bump:2.4669 Ang V9.CB and L21.CD1 other bump:2.51166 Ang V9.CG1 and L21.CD1 neighbor-bump: 1.87991 Ang D16.O and T17.OG1 neighbor-bump: 2.66138 Ang D16.C and T17.OG1 other bump:1.66536 Ang N13.O and D16.OD2 other bump:2.70555 Ang N13.C and D16.OD2 other bump:2.58659 Ang L12.CA and D16.OD1 other bump:2.29795 Ang L12.CB and D16.OD1 other bump:2.80026 Ang L12.C and D16.OD1 other bump:2.15356 Ang L12.CD2 and D16.OD1 neighbor-bump: 2.40366 Ang L12.O and N13.CG other bump:2.39953 Ang T2.O and L6.CG T0187 38 :LFELPLEGVSLEEIQKLTSAL 1xxbA 131 :IFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.54479 Ang P6.N and I15.CD1 other bump:2.01795 Ang P6.CA and I15.CD1 other bump:1.85068 Ang P6.CG and I15.CD1 other bump:2.77248 Ang P6.CD and I15.CD1 other bump:1.73648 Ang P6.CB and I15.CD1 other bump:3.02936 Ang P6.CB and I15.CG1 other bump:2.9032 Ang V10.CG2 and I15.CG1 other bump:3.07111 Ang P6.CG and L12.CD2 other bump:2.85436 Ang P6.CD and L12.CD2 other bump:2.98724 Ang P6.CB and V10.CG1 other bump:2.95144 Ang L7.N and V10.CG1 other bump:2.19077 Ang L7.O and V10.CG1 Number of specific fragments= 2 total=222 Number of alignments=25 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxbA/T0187-1xxbA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1xxbA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxbA/T0187-1xxbA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1xxbA in template set T0187 11 :TRRVLELVDQLNENDTVLFLLSGG 1xxbA 105 :AQLIARLLDSLGKAEGILGTIAGD Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.13963 Ang T2.OG1 and G26.CA other bump:2.56567 Ang T2.OG1 and G26.N other bump:2.72753 Ang T2.OG1 and G25.C other bump:3.21342 Ang T2.CB and G25.C other bump:2.78733 Ang R3.NH1 and G24.C other bump:2.7574 Ang R3.CZ and G24.O other bump:3.04822 Ang R3.CZ and G24.CA other bump:2.3411 Ang R3.NH1 and G24.CA other bump:3.10914 Ang R3.NH2 and G24.CA other bump:3.0089 Ang R3.CZ and G24.N other bump:1.80828 Ang R3.NH1 and G24.N other bump:2.39622 Ang R3.CZ and S23.C other bump:1.2044 Ang R3.NH1 and S23.C other bump:1.68245 Ang R3.CZ and S23.O other bump:1.23448 Ang R3.NH1 and S23.O other bump:2.13447 Ang R3.NH2 and S23.O other bump:2.71059 Ang R3.NH1 and S23.OG other bump:2.23114 Ang L6.CD1 and S23.OG other bump:2.24885 Ang R3.CD and S23.OG other bump:2.56369 Ang T2.CG2 and S23.CB other bump:3.23338 Ang T2.C and S23.CB other bump:2.61323 Ang L6.CG and S23.CB other bump:1.21726 Ang L6.CD1 and S23.CB other bump:2.40388 Ang R3.NH1 and S23.CA other bump:2.1313 Ang L6.CD1 and S23.CA other bump:2.68885 Ang L6.CD1 and S23.N other bump:2.37161 Ang D10.OD1 and L21.CD2 other bump:2.84794 Ang D10.CG and L21.CD2 other bump:2.53329 Ang L6.O and L21.CD1 other bump:2.53977 Ang D10.OD1 and L21.CD1 other bump:2.4669 Ang V9.CB and L21.CD1 other bump:2.51166 Ang V9.CG1 and L21.CD1 neighbor-bump: 1.87991 Ang D16.O and T17.OG1 neighbor-bump: 2.66138 Ang D16.C and T17.OG1 other bump:1.66536 Ang N13.O and D16.OD2 other bump:2.70555 Ang N13.C and D16.OD2 other bump:2.58659 Ang L12.CA and D16.OD1 other bump:2.29795 Ang L12.CB and D16.OD1 other bump:2.80026 Ang L12.C and D16.OD1 other bump:2.15356 Ang L12.CD2 and D16.OD1 neighbor-bump: 2.40366 Ang L12.O and N13.CG other bump:2.39953 Ang T2.O and L6.CG T0187 36 :SSLFELPLEGVSLEEIQKLTSAL 1xxbA 129 :DTIFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.54479 Ang P8.N and I17.CD1 other bump:1.85068 Ang P8.CG and I17.CD1 other bump:2.77248 Ang P8.CD and I17.CD1 other bump:2.01795 Ang P8.CA and I17.CD1 other bump:1.73648 Ang P8.CB and I17.CD1 other bump:3.02936 Ang P8.CB and I17.CG1 other bump:2.9032 Ang V12.CG2 and I17.CG1 other bump:3.07111 Ang P8.CG and L14.CD2 other bump:2.85436 Ang P8.CD and L14.CD2 other bump:2.98724 Ang P8.CB and V12.CG1 other bump:2.95144 Ang L9.N and V12.CG1 other bump:2.19077 Ang L9.O and V12.CG1 Number of specific fragments= 2 total=224 Number of alignments=26 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1fxkC/T0187-1fxkC-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1fxkC read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1fxkC/T0187-1fxkC-2track-protein-STR-local-adpstyle1.pw.a2m.gz # adding 1fxkC to template set 1fxkC:# found chain 1fxkC in template set T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKG 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues Number of specific fragments= 1 total=225 Number of alignments=27 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1fxkC/T0187-1fxkC-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1fxkC read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1fxkC/T0187-1fxkC-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1fxkC in template set T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKG 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues Number of specific fragments= 1 total=226 Number of alignments=28 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1fxkC/T0187-1fxkC-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1fxkC read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1fxkC/T0187-1fxkC-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1fxkC in template set T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKG 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues Number of specific fragments= 1 total=227 Number of alignments=29 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1fxkC/T0187-1fxkC-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1fxkC read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1fxkC/T0187-1fxkC-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1fxkC in template set T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKG 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues Number of specific fragments= 1 total=228 Number of alignments=30 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2qA/T0187-1l2qA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1l2qA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2qA/T0187-1l2qA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1l2qA in template set T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHL 1l2qA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.1509 Ang L3.CB and K25.NZ other bump:3.10586 Ang L3.C and K25.CE other bump:2.61892 Ang L3.CB and K25.CE other bump:1.80858 Ang G5.O and E22.OE2 other bump:1.6743 Ang G5.C and E22.OE2 other bump:1.56206 Ang G6.N and E22.OE2 other bump:2.77087 Ang G6.CA and E22.OE2 other bump:2.30363 Ang G5.O and E22.OE1 other bump:1.99158 Ang G5.O and E22.CD other bump:2.47793 Ang G5.C and E22.CD other bump:2.77745 Ang G6.N and E22.CD other bump:2.36477 Ang L13.CB and E16.OE2 other bump:0.836575 Ang L13.CG and E16.OE2 other bump:1.40446 Ang L13.CD1 and E16.OE2 other bump:1.37323 Ang L13.CD2 and E16.OE2 other bump:2.22332 Ang L13.CA and E16.OE1 other bump:0.756737 Ang L13.CB and E16.OE1 other bump:1.40809 Ang L13.CG and E16.OE1 other bump:2.78902 Ang L13.CD1 and E16.OE1 other bump:2.12791 Ang L13.CD2 and E16.OE1 other bump:2.73936 Ang L13.C and E16.OE1 other bump:2.9411 Ang L13.CA and E16.CD other bump:1.72022 Ang L13.CB and E16.CD other bump:0.783355 Ang L13.CG and E16.CD other bump:2.26428 Ang L13.CD1 and E16.CD other bump:1.59753 Ang L13.CD2 and E16.CD other bump:3.02532 Ang L13.C and E16.CD other bump:2.98383 Ang L13.CB and E16.CG other bump:2.23271 Ang L13.CG and E16.CG other bump:2.657 Ang L13.CD2 and E16.CG neighbor-bump: 2.6927 Ang P14.C and L15.CB neighbor-bump: 2.69442 Ang S8.C and S9.CB Number of specific fragments= 1 total=229 Number of alignments=31 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2qA/T0187-1l2qA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1l2qA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2qA/T0187-1l2qA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1l2qA in template set T0187 7 :TIKTTRRVLELVDQLN 1l2qA 347 :LEASAQSITDTASGRE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.48884 Ang E11.CB and L16.CD1 other bump:2.49691 Ang E11.CG and L16.CD1 other bump:2.01915 Ang E11.CD and L16.CD1 other bump:1.33296 Ang E11.OE1 and L16.CD1 other bump:2.23462 Ang E11.OE1 and L16.CG neighbor-bump: 2.48499 Ang D14.O and Q15.CG neighbor-bump: 2.151 Ang D14.O and Q15.CB neighbor-bump: 2.58714 Ang D14.C and Q15.CB other bump:2.21246 Ang E11.O and D14.OD2 other bump:2.88646 Ang E11.C and D14.OD2 T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHLSQ 1l2qA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKLVS Fragment has 46 clashes (null) has 46 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 50 residues other bump:1.76412 Ang H46.CA and Q49.NE2 other bump:2.51853 Ang H46.CB and Q49.NE2 other bump:2.47433 Ang H46.C and Q49.NE2 other bump:1.53098 Ang K45.O and Q49.OE1 other bump:2.19212 Ang K45.C and Q49.OE1 other bump:2.05005 Ang H46.CA and Q49.OE1 other bump:2.08957 Ang H46.O and Q49.OE1 other bump:1.90078 Ang H46.C and Q49.OE1 other bump:2.42248 Ang K45.O and Q49.CD other bump:3.05876 Ang K45.C and Q49.CD other bump:2.99823 Ang H46.N and Q49.CD other bump:2.15404 Ang H46.CA and Q49.CD other bump:1.99033 Ang H46.O and Q49.CD other bump:2.24209 Ang H46.C and Q49.CD other bump:2.1509 Ang L3.CB and K25.NZ other bump:3.10586 Ang L3.C and K25.CE other bump:2.61892 Ang L3.CB and K25.CE other bump:1.80858 Ang G5.O and E22.OE2 other bump:1.6743 Ang G5.C and E22.OE2 other bump:1.56206 Ang G6.N and E22.OE2 other bump:2.77087 Ang G6.CA and E22.OE2 other bump:2.30363 Ang G5.O and E22.OE1 other bump:1.99158 Ang G5.O and E22.CD other bump:2.47793 Ang G5.C and E22.CD other bump:2.77745 Ang G6.N and E22.CD other bump:2.36477 Ang L13.CB and E16.OE2 other bump:0.836575 Ang L13.CG and E16.OE2 other bump:1.40446 Ang L13.CD1 and E16.OE2 other bump:1.37323 Ang L13.CD2 and E16.OE2 other bump:2.22332 Ang L13.CA and E16.OE1 other bump:0.756737 Ang L13.CB and E16.OE1 other bump:1.40809 Ang L13.CG and E16.OE1 other bump:2.78902 Ang L13.CD1 and E16.OE1 other bump:2.12791 Ang L13.CD2 and E16.OE1 other bump:2.73936 Ang L13.C and E16.OE1 other bump:2.9411 Ang L13.CA and E16.CD other bump:1.72022 Ang L13.CB and E16.CD other bump:0.783355 Ang L13.CG and E16.CD other bump:2.26428 Ang L13.CD1 and E16.CD other bump:1.59753 Ang L13.CD2 and E16.CD other bump:3.02532 Ang L13.C and E16.CD other bump:2.98383 Ang L13.CB and E16.CG other bump:2.23271 Ang L13.CG and E16.CG other bump:2.657 Ang L13.CD2 and E16.CG neighbor-bump: 2.6927 Ang P14.C and L15.CB neighbor-bump: 2.69442 Ang S8.C and S9.CB Number of specific fragments= 2 total=231 Number of alignments=32 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2qA/T0187-1l2qA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1l2qA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2qA/T0187-1l2qA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1l2qA in template set T0187 7 :TIKTTRRVLELVDQLN 1l2qA 347 :LEASAQSITDTASGRE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.48884 Ang E11.CB and L16.CD1 other bump:2.49691 Ang E11.CG and L16.CD1 other bump:2.01915 Ang E11.CD and L16.CD1 other bump:1.33296 Ang E11.OE1 and L16.CD1 other bump:2.23462 Ang E11.OE1 and L16.CG neighbor-bump: 2.48499 Ang D14.O and Q15.CG neighbor-bump: 2.151 Ang D14.O and Q15.CB neighbor-bump: 2.58714 Ang D14.C and Q15.CB other bump:2.21246 Ang E11.O and D14.OD2 other bump:2.88646 Ang E11.C and D14.OD2 T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHLSQ 1l2qA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKLVS Fragment has 46 clashes (null) has 46 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 50 residues other bump:1.76412 Ang H46.CA and Q49.NE2 other bump:2.51853 Ang H46.CB and Q49.NE2 other bump:2.47433 Ang H46.C and Q49.NE2 other bump:1.53098 Ang K45.O and Q49.OE1 other bump:2.19212 Ang K45.C and Q49.OE1 other bump:2.05005 Ang H46.CA and Q49.OE1 other bump:2.08957 Ang H46.O and Q49.OE1 other bump:1.90078 Ang H46.C and Q49.OE1 other bump:2.42248 Ang K45.O and Q49.CD other bump:3.05876 Ang K45.C and Q49.CD other bump:2.99823 Ang H46.N and Q49.CD other bump:2.15404 Ang H46.CA and Q49.CD other bump:1.99033 Ang H46.O and Q49.CD other bump:2.24209 Ang H46.C and Q49.CD other bump:2.1509 Ang L3.CB and K25.NZ other bump:3.10586 Ang L3.C and K25.CE other bump:2.61892 Ang L3.CB and K25.CE other bump:1.80858 Ang G5.O and E22.OE2 other bump:1.6743 Ang G5.C and E22.OE2 other bump:1.56206 Ang G6.N and E22.OE2 other bump:2.77087 Ang G6.CA and E22.OE2 other bump:2.30363 Ang G5.O and E22.OE1 other bump:1.99158 Ang G5.O and E22.CD other bump:2.47793 Ang G5.C and E22.CD other bump:2.77745 Ang G6.N and E22.CD other bump:2.36477 Ang L13.CB and E16.OE2 other bump:0.836575 Ang L13.CG and E16.OE2 other bump:1.40446 Ang L13.CD1 and E16.OE2 other bump:1.37323 Ang L13.CD2 and E16.OE2 other bump:2.22332 Ang L13.CA and E16.OE1 other bump:0.756737 Ang L13.CB and E16.OE1 other bump:1.40809 Ang L13.CG and E16.OE1 other bump:2.78902 Ang L13.CD1 and E16.OE1 other bump:2.12791 Ang L13.CD2 and E16.OE1 other bump:2.73936 Ang L13.C and E16.OE1 other bump:2.9411 Ang L13.CA and E16.CD other bump:1.72022 Ang L13.CB and E16.CD other bump:0.783355 Ang L13.CG and E16.CD other bump:2.26428 Ang L13.CD1 and E16.CD other bump:1.59753 Ang L13.CD2 and E16.CD other bump:3.02532 Ang L13.C and E16.CD other bump:2.98383 Ang L13.CB and E16.CG other bump:2.23271 Ang L13.CG and E16.CG other bump:2.657 Ang L13.CD2 and E16.CG neighbor-bump: 2.6927 Ang P14.C and L15.CB neighbor-bump: 2.69442 Ang S8.C and S9.CB Number of specific fragments= 2 total=233 Number of alignments=33 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2qA/T0187-1l2qA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1l2qA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2qA/T0187-1l2qA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1l2qA in template set T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHL 1l2qA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.1509 Ang L3.CB and K25.NZ other bump:3.10586 Ang L3.C and K25.CE other bump:2.61892 Ang L3.CB and K25.CE other bump:1.80858 Ang G5.O and E22.OE2 other bump:1.6743 Ang G5.C and E22.OE2 other bump:1.56206 Ang G6.N and E22.OE2 other bump:2.77087 Ang G6.CA and E22.OE2 other bump:2.30363 Ang G5.O and E22.OE1 other bump:1.99158 Ang G5.O and E22.CD other bump:2.47793 Ang G5.C and E22.CD other bump:2.77745 Ang G6.N and E22.CD other bump:2.36477 Ang L13.CB and E16.OE2 other bump:0.836575 Ang L13.CG and E16.OE2 other bump:1.40446 Ang L13.CD1 and E16.OE2 other bump:1.37323 Ang L13.CD2 and E16.OE2 other bump:2.22332 Ang L13.CA and E16.OE1 other bump:0.756737 Ang L13.CB and E16.OE1 other bump:1.40809 Ang L13.CG and E16.OE1 other bump:2.78902 Ang L13.CD1 and E16.OE1 other bump:2.12791 Ang L13.CD2 and E16.OE1 other bump:2.73936 Ang L13.C and E16.OE1 other bump:2.9411 Ang L13.CA and E16.CD other bump:1.72022 Ang L13.CB and E16.CD other bump:0.783355 Ang L13.CG and E16.CD other bump:2.26428 Ang L13.CD1 and E16.CD other bump:1.59753 Ang L13.CD2 and E16.CD other bump:3.02532 Ang L13.C and E16.CD other bump:2.98383 Ang L13.CB and E16.CG other bump:2.23271 Ang L13.CG and E16.CG other bump:2.657 Ang L13.CD2 and E16.CG neighbor-bump: 2.6927 Ang P14.C and L15.CB neighbor-bump: 2.69442 Ang S8.C and S9.CB Number of specific fragments= 1 total=234 Number of alignments=34 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2rA/T0187-1l2rA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1l2rA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2rA/T0187-1l2rA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1l2rA in template set T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHL 1l2rA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.93284 Ang I40.CG2 and R44.NH2 other bump:1.92382 Ang I40.CG2 and R44.NH1 other bump:2.51749 Ang I40.CG2 and R44.CZ other bump:2.24901 Ang L3.CB and K25.NZ other bump:2.7017 Ang L3.CB and K25.CE other bump:1.86304 Ang G5.O and E22.OE2 other bump:1.70795 Ang G5.C and E22.OE2 other bump:1.53568 Ang G6.N and E22.OE2 other bump:2.73266 Ang G6.CA and E22.OE2 other bump:2.29334 Ang G5.O and E22.OE1 other bump:2.02964 Ang G5.O and E22.CD other bump:2.48337 Ang G5.C and E22.CD other bump:2.74494 Ang G6.N and E22.CD other bump:2.22724 Ang L13.CB and E16.OE2 other bump:0.739566 Ang L13.CG and E16.OE2 other bump:1.45211 Ang L13.CD1 and E16.OE2 other bump:1.21528 Ang L13.CD2 and E16.OE2 other bump:2.25905 Ang L13.CA and E16.OE1 other bump:0.787112 Ang L13.CB and E16.OE1 other bump:1.56299 Ang L13.CG and E16.OE1 other bump:2.93343 Ang L13.CD1 and E16.OE1 other bump:2.19602 Ang L13.CD2 and E16.OE1 other bump:2.90826 Ang L13.CA and E16.CD other bump:1.61655 Ang L13.CB and E16.CD other bump:0.807651 Ang L13.CG and E16.CD other bump:2.33478 Ang L13.CD1 and E16.CD other bump:1.53682 Ang L13.CD2 and E16.CD other bump:3.05177 Ang L13.C and E16.CD other bump:2.90158 Ang L13.CB and E16.CG other bump:2.17553 Ang L13.CG and E16.CG other bump:2.55591 Ang L13.CD2 and E16.CG neighbor-bump: 2.67099 Ang P14.C and L15.CB Number of specific fragments= 1 total=235 Number of alignments=35 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2rA/T0187-1l2rA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1l2rA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2rA/T0187-1l2rA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1l2rA in template set T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHL 1l2rA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.93284 Ang I40.CG2 and R44.NH2 other bump:1.92382 Ang I40.CG2 and R44.NH1 other bump:2.51749 Ang I40.CG2 and R44.CZ other bump:2.24901 Ang L3.CB and K25.NZ other bump:2.7017 Ang L3.CB and K25.CE other bump:1.86304 Ang G5.O and E22.OE2 other bump:1.70795 Ang G5.C and E22.OE2 other bump:1.53568 Ang G6.N and E22.OE2 other bump:2.73266 Ang G6.CA and E22.OE2 other bump:2.29334 Ang G5.O and E22.OE1 other bump:2.02964 Ang G5.O and E22.CD other bump:2.48337 Ang G5.C and E22.CD other bump:2.74494 Ang G6.N and E22.CD other bump:2.22724 Ang L13.CB and E16.OE2 other bump:0.739566 Ang L13.CG and E16.OE2 other bump:1.45211 Ang L13.CD1 and E16.OE2 other bump:1.21528 Ang L13.CD2 and E16.OE2 other bump:2.25905 Ang L13.CA and E16.OE1 other bump:0.787112 Ang L13.CB and E16.OE1 other bump:1.56299 Ang L13.CG and E16.OE1 other bump:2.93343 Ang L13.CD1 and E16.OE1 other bump:2.19602 Ang L13.CD2 and E16.OE1 other bump:2.90826 Ang L13.CA and E16.CD other bump:1.61655 Ang L13.CB and E16.CD other bump:0.807651 Ang L13.CG and E16.CD other bump:2.33478 Ang L13.CD1 and E16.CD other bump:1.53682 Ang L13.CD2 and E16.CD other bump:3.05177 Ang L13.C and E16.CD other bump:2.90158 Ang L13.CB and E16.CG other bump:2.17553 Ang L13.CG and E16.CG other bump:2.55591 Ang L13.CD2 and E16.CG neighbor-bump: 2.67099 Ang P14.C and L15.CB Number of specific fragments= 1 total=236 Number of alignments=36 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2rA/T0187-1l2rA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1l2rA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2rA/T0187-1l2rA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1l2rA in template set T0187 7 :TIKTTRRVLELVDQLN 1l2rA 347 :LEASAQSITDTASGRE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.55165 Ang E11.CB and L16.CD1 other bump:2.53414 Ang E11.CG and L16.CD1 other bump:2.00338 Ang E11.CD and L16.CD1 other bump:1.27417 Ang E11.OE1 and L16.CD1 other bump:2.21098 Ang E11.OE1 and L16.CG neighbor-bump: 2.5415 Ang D14.O and Q15.CG neighbor-bump: 2.12848 Ang D14.O and Q15.CB neighbor-bump: 2.56185 Ang D14.C and Q15.CB other bump:2.18824 Ang E11.O and D14.OD2 other bump:2.85908 Ang E11.C and D14.OD2 T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHLSQ 1l2rA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKLVS Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 50 residues other bump:2.93284 Ang I40.CG2 and R44.NH2 other bump:1.92382 Ang I40.CG2 and R44.NH1 other bump:2.51749 Ang I40.CG2 and R44.CZ other bump:2.24901 Ang L3.CB and K25.NZ other bump:2.7017 Ang L3.CB and K25.CE other bump:1.86304 Ang G5.O and E22.OE2 other bump:1.70795 Ang G5.C and E22.OE2 other bump:1.53568 Ang G6.N and E22.OE2 other bump:2.73266 Ang G6.CA and E22.OE2 other bump:2.29334 Ang G5.O and E22.OE1 other bump:2.02964 Ang G5.O and E22.CD other bump:2.48337 Ang G5.C and E22.CD other bump:2.74494 Ang G6.N and E22.CD other bump:2.22724 Ang L13.CB and E16.OE2 other bump:0.739566 Ang L13.CG and E16.OE2 other bump:1.45211 Ang L13.CD1 and E16.OE2 other bump:1.21528 Ang L13.CD2 and E16.OE2 other bump:2.25905 Ang L13.CA and E16.OE1 other bump:0.787112 Ang L13.CB and E16.OE1 other bump:1.56299 Ang L13.CG and E16.OE1 other bump:2.93343 Ang L13.CD1 and E16.OE1 other bump:2.19602 Ang L13.CD2 and E16.OE1 other bump:2.90826 Ang L13.CA and E16.CD other bump:1.61655 Ang L13.CB and E16.CD other bump:0.807651 Ang L13.CG and E16.CD other bump:2.33478 Ang L13.CD1 and E16.CD other bump:1.53682 Ang L13.CD2 and E16.CD other bump:3.05177 Ang L13.C and E16.CD other bump:2.90158 Ang L13.CB and E16.CG other bump:2.17553 Ang L13.CG and E16.CG other bump:2.55591 Ang L13.CD2 and E16.CG neighbor-bump: 2.67099 Ang P14.C and L15.CB Number of specific fragments= 2 total=238 Number of alignments=37 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2rA/T0187-1l2rA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1l2rA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1l2rA/T0187-1l2rA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1l2rA in template set T0187 7 :TIKTTRRVLELVDQLN 1l2rA 347 :LEASAQSITDTASGRE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.55165 Ang E11.CB and L16.CD1 other bump:2.53414 Ang E11.CG and L16.CD1 other bump:2.00338 Ang E11.CD and L16.CD1 other bump:1.27417 Ang E11.OE1 and L16.CD1 other bump:2.21098 Ang E11.OE1 and L16.CG neighbor-bump: 2.5415 Ang D14.O and Q15.CG neighbor-bump: 2.12848 Ang D14.O and Q15.CB neighbor-bump: 2.56185 Ang D14.C and Q15.CB other bump:2.18824 Ang E11.O and D14.OD2 other bump:2.85908 Ang E11.C and D14.OD2 T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHLSQ 1l2rA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKLVS Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 50 residues other bump:2.93284 Ang I40.CG2 and R44.NH2 other bump:1.92382 Ang I40.CG2 and R44.NH1 other bump:2.51749 Ang I40.CG2 and R44.CZ other bump:2.24901 Ang L3.CB and K25.NZ other bump:2.7017 Ang L3.CB and K25.CE other bump:1.86304 Ang G5.O and E22.OE2 other bump:1.70795 Ang G5.C and E22.OE2 other bump:1.53568 Ang G6.N and E22.OE2 other bump:2.73266 Ang G6.CA and E22.OE2 other bump:2.29334 Ang G5.O and E22.OE1 other bump:2.02964 Ang G5.O and E22.CD other bump:2.48337 Ang G5.C and E22.CD other bump:2.74494 Ang G6.N and E22.CD other bump:2.22724 Ang L13.CB and E16.OE2 other bump:0.739566 Ang L13.CG and E16.OE2 other bump:1.45211 Ang L13.CD1 and E16.OE2 other bump:1.21528 Ang L13.CD2 and E16.OE2 other bump:2.25905 Ang L13.CA and E16.OE1 other bump:0.787112 Ang L13.CB and E16.OE1 other bump:1.56299 Ang L13.CG and E16.OE1 other bump:2.93343 Ang L13.CD1 and E16.OE1 other bump:2.19602 Ang L13.CD2 and E16.OE1 other bump:2.90826 Ang L13.CA and E16.CD other bump:1.61655 Ang L13.CB and E16.CD other bump:0.807651 Ang L13.CG and E16.CD other bump:2.33478 Ang L13.CD1 and E16.CD other bump:1.53682 Ang L13.CD2 and E16.CD other bump:3.05177 Ang L13.C and E16.CD other bump:2.90158 Ang L13.CB and E16.CG other bump:2.17553 Ang L13.CG and E16.CG other bump:2.55591 Ang L13.CD2 and E16.CG neighbor-bump: 2.67099 Ang P14.C and L15.CB Number of specific fragments= 2 total=240 Number of alignments=38 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1fxkC/T0187-1fxkC-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1fxkC read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1fxkC/T0187-1fxkC-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1fxkC in template set T0187 1 :PV 1fxkC 5 :AA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues self-bump: 1.33948 Ang P1.CA and P1.CB T0187 5 :ENTIKTTRRVLELV 1fxkC 7 :LAEIVAQLNIYQSQ Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.26036 Ang I5.CB and R9.NH2 other bump:1.41721 Ang I5.CG2 and R9.NH2 other bump:2.12807 Ang I5.CG2 and R9.NH1 other bump:1.83705 Ang I5.CG2 and R9.CZ other bump:2.97192 Ang I5.CG2 and R9.NE other bump:2.85738 Ang E2.CG and K6.CE T0187 48 :LEEIQKLTSALLK 1fxkC 21 :VELIQQQMEAVRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 64 :SIEEINTVRKHLSQVKGG 1fxkC 34 :TISELEILEKTLSDIQGK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 88 :FPA 1fxkC 52 :DGS Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.12122 Ang F2.CB and P3.CD neighbor-bump: 1.61683 Ang F2.CA and P3.CD neighbor-bump: 1.77358 Ang F2.O and P3.CD neighbor-bump: 0.835793 Ang F2.C and P3.CD self-bump: 1.32727 Ang P3.N and P3.CD neighbor-bump: 2.99496 Ang F2.CB and P3.CG neighbor-bump: 2.97095 Ang F2.CA and P3.CG neighbor-bump: 1.90866 Ang F2.O and P3.CG neighbor-bump: 1.92157 Ang F2.C and P3.CG self-bump: 2.19023 Ang P3.N and P3.CG neighbor-bump: 1.98088 Ang F2.O and P3.CB neighbor-bump: 2.34708 Ang F2.C and P3.CB T0187 98 :SDVL 1fxkC 71 :KDTS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 105 :LDVIAS 1fxkC 94 :MESIKS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 119 :TSEDALKVLEKY 1fxkC 111 :MGENLRAITDIM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.88845 Ang V9.CG2 and Y13.CE2 T0187 136 :ESVKRAILQETPKH 1fxkC 123 :MKLSPQAEELLAAV Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.68999 Ang T12.CB and H15.CE1 other bump:2.05383 Ang T12.CA and H15.CE1 other bump:2.51663 Ang T12.CG2 and H15.CE1 other bump:2.1431 Ang T12.O and H15.CE1 other bump:2.40349 Ang T12.C and H15.CE1 other bump:2.42464 Ang T12.CA and H15.ND1 other bump:2.32137 Ang T12.O and H15.ND1 other bump:2.62715 Ang T12.C and H15.ND1 neighbor-bump: 2.5536 Ang T12.N and P13.CD other bump:2.8076 Ang Q10.C and P13.CD other bump:3.11352 Ang Q10.CA and P13.CD other bump:1.94241 Ang L9.O and P13.CD other bump:2.85996 Ang L9.C and P13.CD other bump:2.77892 Ang Q10.C and P13.CG other bump:2.73614 Ang Q10.CA and P13.CG other bump:2.4218 Ang L9.O and P13.CG Number of specific fragments= 9 total=249 Number of alignments=39 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1fxkC/T0187-1fxkC-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1fxkC read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1fxkC/T0187-1fxkC-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1fxkC in template set T0187 1 :PV 1fxkC 5 :AA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues self-bump: 1.33948 Ang P1.CA and P1.CB T0187 5 :ENTIKTTRRVLELV 1fxkC 7 :LAEIVAQLNIYQSQ Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.26036 Ang I5.CB and R9.NH2 other bump:1.41721 Ang I5.CG2 and R9.NH2 other bump:2.12807 Ang I5.CG2 and R9.NH1 other bump:1.83705 Ang I5.CG2 and R9.CZ other bump:2.97192 Ang I5.CG2 and R9.NE other bump:2.85738 Ang E2.CG and K6.CE T0187 48 :LEEIQKLTSALLK 1fxkC 21 :VELIQQQMEAVRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 64 :SIEEINTVRKHLSQVKGG 1fxkC 34 :TISELEILEKTLSDIQGK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 88 :FPA 1fxkC 52 :DGS Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.12122 Ang F2.CB and P3.CD neighbor-bump: 1.61683 Ang F2.CA and P3.CD neighbor-bump: 1.77358 Ang F2.O and P3.CD neighbor-bump: 0.835793 Ang F2.C and P3.CD self-bump: 1.32727 Ang P3.N and P3.CD neighbor-bump: 2.99496 Ang F2.CB and P3.CG neighbor-bump: 2.97095 Ang F2.CA and P3.CG neighbor-bump: 1.90866 Ang F2.O and P3.CG neighbor-bump: 1.92157 Ang F2.C and P3.CG self-bump: 2.19023 Ang P3.N and P3.CG neighbor-bump: 1.98088 Ang F2.O and P3.CB neighbor-bump: 2.34708 Ang F2.C and P3.CB T0187 101 :LG 1fxkC 62 :AG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 114 :WPDSS 1fxkC 70 :LKDTS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 119 :TSEDALKVLEKY 1fxkC 111 :MGENLRAITDIM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.88845 Ang V9.CG2 and Y13.CE2 T0187 136 :ESVKRAILQETPKH 1fxkC 123 :MKLSPQAEELLAAV Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.68999 Ang T12.CB and H15.CE1 other bump:2.05383 Ang T12.CA and H15.CE1 other bump:2.51663 Ang T12.CG2 and H15.CE1 other bump:2.1431 Ang T12.O and H15.CE1 other bump:2.40349 Ang T12.C and H15.CE1 other bump:2.42464 Ang T12.CA and H15.ND1 other bump:2.32137 Ang T12.O and H15.ND1 other bump:2.62715 Ang T12.C and H15.ND1 neighbor-bump: 2.5536 Ang T12.N and P13.CD other bump:2.8076 Ang Q10.C and P13.CD other bump:3.11352 Ang Q10.CA and P13.CD other bump:1.94241 Ang L9.O and P13.CD other bump:2.85996 Ang L9.C and P13.CD other bump:2.77892 Ang Q10.C and P13.CG other bump:2.73614 Ang Q10.CA and P13.CG other bump:2.4218 Ang L9.O and P13.CG Number of specific fragments= 9 total=258 Number of alignments=40 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxaA/T0187-1xxaA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1xxaA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxaA/T0187-1xxaA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # adding 1xxaA to template set 1xxaA:# found chain 1xxaA in template set T0187 19 :DQL 1xxaA 83 :KNL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 22 :NEND 1xxaA 92 :NDAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 40 :ELPLE 1xxaA 100 :TSPGA Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.33368 Ang E2.CD and G7.CA other bump:1.46492 Ang E2.OE1 and G7.CA other bump:2.71033 Ang E2.OE2 and G7.CA other bump:3.10851 Ang E2.CD and G7.N other bump:2.30425 Ang E2.OE1 and G7.N other bump:2.07827 Ang L3.O and E6.OE2 other bump:1.98917 Ang L3.C and E6.OE2 other bump:1.3953 Ang L3.CA and E6.OE2 other bump:2.13955 Ang L3.CB and E6.OE2 other bump:1.88098 Ang E2.C and E6.OE2 other bump:0.78306 Ang L3.N and E6.OE2 other bump:1.78265 Ang L3.O and E6.OE1 other bump:1.94645 Ang L3.C and E6.OE1 other bump:2.56296 Ang L3.CA and E6.OE1 other bump:2.44676 Ang L3.CB and E6.OE1 other bump:1.85014 Ang L3.O and E6.CD other bump:2.15339 Ang L3.C and E6.CD other bump:2.2127 Ang L3.CA and E6.CD other bump:2.36849 Ang L3.CB and E6.CD other bump:2.95308 Ang E2.C and E6.CD other bump:2.02195 Ang L3.N and E6.CD other bump:2.89774 Ang L3.N and E6.CG other bump:3.13788 Ang E2.CB and E6.CG neighbor-bump: 2.68355 Ang P4.C and L5.CB T0187 52 :QKLTSALLKS 1xxaA 105 :AQLIARLLDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 75 :LSQVKG 1xxaA 115 :LGKAEG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.26677 Ang L2.CD1 and K6.NZ neighbor-bump: 2.52832 Ang L2.C and S3.OG neighbor-bump: 1.71114 Ang L2.O and S3.OG neighbor-bump: 2.692 Ang L2.C and S3.CB T0187 102 :GDR 1xxaA 127 :GDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 115 :PDSSTSEDALKVL 1xxaA 136 :ANGFTVKDLYEAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 129 :KYG 1xxaA 149 :LEL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 1.37517 Ang K2.CA and K2.CB Number of specific fragments= 8 total=266 Number of alignments=41 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxaA/T0187-1xxaA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1xxaA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxaA/T0187-1xxaA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1xxaA in template set T0187 19 :DQL 1xxaA 83 :KNL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 22 :NEND 1xxaA 92 :NDAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 40 :ELPLE 1xxaA 100 :TSPGA Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.33368 Ang E2.CD and G7.CA other bump:1.46492 Ang E2.OE1 and G7.CA other bump:2.71033 Ang E2.OE2 and G7.CA other bump:3.10851 Ang E2.CD and G7.N other bump:2.30425 Ang E2.OE1 and G7.N other bump:2.07827 Ang L3.O and E6.OE2 other bump:1.98917 Ang L3.C and E6.OE2 other bump:1.3953 Ang L3.CA and E6.OE2 other bump:2.13955 Ang L3.CB and E6.OE2 other bump:1.88098 Ang E2.C and E6.OE2 other bump:0.78306 Ang L3.N and E6.OE2 other bump:1.78265 Ang L3.O and E6.OE1 other bump:1.94645 Ang L3.C and E6.OE1 other bump:2.56296 Ang L3.CA and E6.OE1 other bump:2.44676 Ang L3.CB and E6.OE1 other bump:1.85014 Ang L3.O and E6.CD other bump:2.15339 Ang L3.C and E6.CD other bump:2.2127 Ang L3.CA and E6.CD other bump:2.36849 Ang L3.CB and E6.CD other bump:2.95308 Ang E2.C and E6.CD other bump:2.02195 Ang L3.N and E6.CD other bump:2.89774 Ang L3.N and E6.CG other bump:3.13788 Ang E2.CB and E6.CG neighbor-bump: 2.68355 Ang P4.C and L5.CB T0187 52 :QKLTSALLKS 1xxaA 105 :AQLIARLLDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 75 :LSQVKG 1xxaA 115 :LGKAEG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.26677 Ang L2.CD1 and K6.NZ neighbor-bump: 2.52832 Ang L2.C and S3.OG neighbor-bump: 1.71114 Ang L2.O and S3.OG neighbor-bump: 2.692 Ang L2.C and S3.CB T0187 102 :GDR 1xxaA 127 :GDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 115 :PDSSTSEDALKVLE 1xxaA 136 :ANGFTVKDLYEAIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 130 :YG 1xxaA 150 :EL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 8 total=274 Number of alignments=42 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxcA/T0187-1xxcA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1xxcA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxcA/T0187-1xxcA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # adding 1xxcA to template set 1xxcA:# found chain 1xxcA in template set T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxcA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.49518 Ang P10.CB and I19.CD1 other bump:2.99866 Ang P10.N and I19.CD1 other bump:1.9782 Ang P10.CA and I19.CD1 other bump:2.93008 Ang P10.CB and I19.CG1 other bump:2.44586 Ang V14.CG1 and I19.CG1 other bump:2.73588 Ang S15.OG and E18.CG other bump:2.62368 Ang S15.OG and E18.N Number of specific fragments= 1 total=275 Number of alignments=43 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxcA/T0187-1xxcA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1xxcA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxcA/T0187-1xxcA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1xxcA in template set T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxcA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.49518 Ang P10.CB and I19.CD1 other bump:2.99866 Ang P10.N and I19.CD1 other bump:1.9782 Ang P10.CA and I19.CD1 other bump:2.93008 Ang P10.CB and I19.CG1 other bump:2.44586 Ang V14.CG1 and I19.CG1 other bump:2.73588 Ang S15.OG and E18.CG other bump:2.62368 Ang S15.OG and E18.N Number of specific fragments= 1 total=276 Number of alignments=44 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxcA/T0187-1xxcA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1xxcA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxcA/T0187-1xxcA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1xxcA in template set T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxcA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.49518 Ang P10.CB and I19.CD1 other bump:2.99866 Ang P10.N and I19.CD1 other bump:1.9782 Ang P10.CA and I19.CD1 other bump:2.93008 Ang P10.CB and I19.CG1 other bump:2.44586 Ang V14.CG1 and I19.CG1 other bump:2.73588 Ang S15.OG and E18.CG other bump:2.62368 Ang S15.OG and E18.N Number of specific fragments= 1 total=277 Number of alignments=45 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxcA/T0187-1xxcA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1xxcA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxcA/T0187-1xxcA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1xxcA in template set T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxcA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.49518 Ang P10.CB and I19.CD1 other bump:2.99866 Ang P10.N and I19.CD1 other bump:1.9782 Ang P10.CA and I19.CD1 other bump:2.93008 Ang P10.CB and I19.CG1 other bump:2.44586 Ang V14.CG1 and I19.CG1 other bump:2.73588 Ang S15.OG and E18.CG other bump:2.62368 Ang S15.OG and E18.N Number of specific fragments= 1 total=278 Number of alignments=46 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxbA/T0187-1xxbA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1xxbA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxbA/T0187-1xxbA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1xxbA in template set T0187 37 :SLFELP 1xxbA 83 :KNLVLD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.49652 Ang L6.CB and P7.CD T0187 46 :VS 1xxbA 89 :ID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 61 :SGA 1xxbA 102 :PGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 65 :IEEINTVRKHLSQVKG 1xxbA 105 :AQLIARLLDSLGKAEG Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:1.8248 Ang L12.CA and K16.NZ other bump:2.57223 Ang L12.CB and K16.NZ other bump:2.54575 Ang L12.C and K16.NZ other bump:2.12114 Ang L12.CD2 and K16.NZ other bump:3.01511 Ang L12.CG and K16.CE other bump:1.78614 Ang L12.CD2 and K16.CE neighbor-bump: 2.58151 Ang L12.C and S13.CB neighbor-bump: 2.10898 Ang L12.O and S13.CB other bump:2.58387 Ang V8.O and H11.CB other bump:2.68709 Ang T7.CA and K10.NZ other bump:1.99009 Ang E3.O and T7.OG1 other bump:3.04102 Ang I2.CG2 and N6.ND2 T0187 102 :GDR 1xxbA 127 :GDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 115 :PDSSTSEDALKVLEKY 1xxbA 136 :ANGFTVKDLYEAILEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues Number of specific fragments= 6 total=284 Number of alignments=47 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxbA/T0187-1xxbA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1xxbA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxbA/T0187-1xxbA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1xxbA in template set T0187 37 :SLFELP 1xxbA 83 :KNLVLD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.49652 Ang L6.CB and P7.CD T0187 46 :VS 1xxbA 89 :ID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 61 :SGA 1xxbA 102 :PGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 65 :IEEINTVRKHLSQVKG 1xxbA 105 :AQLIARLLDSLGKAEG Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:1.8248 Ang L12.CA and K16.NZ other bump:2.57223 Ang L12.CB and K16.NZ other bump:2.54575 Ang L12.C and K16.NZ other bump:2.12114 Ang L12.CD2 and K16.NZ other bump:3.01511 Ang L12.CG and K16.CE other bump:1.78614 Ang L12.CD2 and K16.CE neighbor-bump: 2.58151 Ang L12.C and S13.CB neighbor-bump: 2.10898 Ang L12.O and S13.CB other bump:2.58387 Ang V8.O and H11.CB other bump:2.68709 Ang T7.CA and K10.NZ other bump:1.99009 Ang E3.O and T7.OG1 other bump:3.04102 Ang I2.CG2 and N6.ND2 T0187 102 :GDR 1xxbA 127 :GDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 115 :PDSSTSEDALKVLEKY 1xxbA 136 :ANGFTVKDLYEAILEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues Number of specific fragments= 6 total=290 Number of alignments=48 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxaA/T0187-1xxaA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1xxaA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxaA/T0187-1xxaA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1xxaA in template set T0187 34 :GGSSLFELPLEGVSLEEIQKLT 1xxaA 127 :GDDTIFTTPANGFTVKDLYEAI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.26194 Ang P10.N and I19.CD1 other bump:2.46074 Ang P10.CD and I19.CD1 other bump:1.76323 Ang P10.CA and I19.CD1 other bump:1.26447 Ang P10.CB and I19.CD1 other bump:2.32079 Ang P10.CG and I19.CD1 other bump:3.02954 Ang P10.CA and I19.CG1 other bump:2.52193 Ang P10.CB and I19.CG1 other bump:2.71223 Ang P10.CB and V14.CG1 other bump:2.8856 Ang L11.N and V14.CG1 Number of specific fragments= 1 total=291 Number of alignments=49 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxaA/T0187-1xxaA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1xxaA read from /projects/compbio/experiments/casp5/t0187/t0187-91-240/1xxaA/T0187-1xxaA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1xxaA in template set T0187 10 :TTRRVLELVDQLNENDTVLFLLSG 1xxaA 104 :AAQLIARLLDSLGKAEGILGTIAG Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.76786 Ang R4.NH1 and G25.C other bump:2.22935 Ang R4.NH1 and G25.O other bump:2.63469 Ang R4.NH1 and G25.CA other bump:2.42045 Ang R4.NH1 and G25.N other bump:3.03842 Ang R4.CZ and S24.C other bump:1.97476 Ang R4.NH1 and S24.C other bump:2.28233 Ang R4.CZ and S24.O other bump:1.6969 Ang R4.NH1 and S24.O other bump:1.79385 Ang L7.CD1 and S24.OG other bump:2.49024 Ang R4.CD and S24.OG other bump:2.49594 Ang L7.CG and S24.CB other bump:1.00254 Ang L7.CD1 and S24.CB other bump:2.35723 Ang L7.CD1 and S24.CA other bump:2.03562 Ang D11.OD1 and L22.CD2 other bump:2.13024 Ang V10.CB and L22.CD1 other bump:1.92976 Ang V10.CG1 and L22.CD1 other bump:3.09071 Ang V10.CG1 and L22.CG neighbor-bump: 1.14773 Ang D17.O and T18.OG1 neighbor-bump: 2.01916 Ang D17.C and T18.OG1 neighbor-bump: 2.28124 Ang D17.O and T18.CB neighbor-bump: 2.55378 Ang D17.C and T18.CB other bump:2.62207 Ang L13.CD1 and D17.OD2 self-bump: 1.38345 Ang N16.CA and N16.CB neighbor-bump: 2.18648 Ang N14.OD1 and E15.N neighbor-bump: 2.62684 Ang L13.C and N14.CB other bump:2.53446 Ang T3.O and L7.CG T0187 35 :GSSLFELPLEGVSLEEIQKLTS 1xxaA 128 :DDTIFTTPANGFTVKDLYEAIL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.26194 Ang P9.N and I18.CD1 other bump:2.46074 Ang P9.CD and I18.CD1 other bump:1.76323 Ang P9.CA and I18.CD1 other bump:1.26447 Ang P9.CB and I18.CD1 other bump:2.32079 Ang P9.CG and I18.CD1 other bump:3.02954 Ang P9.CA and I18.CG1 other bump:2.52193 Ang P9.CB and I18.CG1 other bump:2.71223 Ang P9.CB and V13.CG1 other bump:2.8856 Ang L10.N and V13.CG1 Number of specific fragments= 2 total=293 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 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 :PVPDEN 1bouB 2 :ARVTTG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.80785 Ang V2.CG1 and D4.OD1 T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPL 1bouB 33 :VFKGYQPIRDWIKQPGNMPDVVILVYNDHASAFDMNI Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues neighbor-bump: 2.13436 Ang P37.O and L38.CD1 other bump:2.88122 Ang E35.C and P37.CD neighbor-bump: 2.25643 Ang L36.N and P37.CD self-bump: 1.36375 Ang P37.N and P37.CD other bump:2.58279 Ang E35.CB and P37.CD other bump:2.34674 Ang D20.CG and L23.CD2 other bump:2.37105 Ang D20.OD1 and L23.CD2 other bump:1.76217 Ang D20.OD2 and L23.CD2 other bump:1.25701 Ang L12.O and E18.OE1 other bump:2.31693 Ang L12.C and E18.OE1 other bump:2.50309 Ang L12.O and E18.CD other bump:2.71011 Ang E11.C and D14.OD1 other bump:2.24347 Ang E11.O and D14.OD1 other bump:2.50482 Ang R7.NE and E11.OE2 other bump:1.26891 Ang R7.CZ and E11.OE2 other bump:1.61052 Ang R7.NH2 and E11.OE2 other bump:1.13393 Ang R7.NH1 and E11.OE2 other bump:2.22057 Ang R7.CZ and E11.CD other bump:2.15239 Ang R7.NH2 and E11.CD other bump:2.27161 Ang R7.NH1 and E11.CD T0187 44 :EGVSLEEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDR 1bouB 104 :WHIAQSLILDEFDMTIMNQMDVDHGCTVPLSMIFGEPEEWPCKVIPFPVNVVTYPPPSGKR Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 63 residues other bump:3.09699 Ang V58.CG1 and R62.CG other bump:2.79618 Ang V58.CG1 and R62.CB other bump:2.7455 Ang A52.CA and D57.OD2 other bump:2.20264 Ang A52.CA and D57.OD1 other bump:2.71138 Ang A52.C and D57.OD1 other bump:2.61937 Ang A52.CA and D57.CG other bump:2.41 Ang R44.CZ and F46.CZ other bump:1.53536 Ang R44.NH2 and F46.CZ other bump:2.71613 Ang R44.CZ and F46.CE2 other bump:2.4619 Ang R44.NH2 and F46.CE2 other bump:2.80795 Ang R44.NH1 and F46.CE2 other bump:2.61265 Ang R44.NH2 and F46.CE1 other bump:2.63768 Ang K31.CE and V45.CG2 other bump:2.62182 Ang K31.NZ and V45.CG2 other bump:2.86145 Ang Q35.OE1 and A42.CB other bump:2.32967 Ang K31.CD and F41.CE2 other bump:2.56044 Ang K31.NZ and F41.CE2 other bump:3.12268 Ang K31.CD and F41.CD2 other bump:3.03499 Ang K31.CE and F41.CD2 other bump:2.09599 Ang K31.NZ and F41.CD2 other bump:2.30389 Ang H32.CE1 and K37.NZ other bump:2.93321 Ang H32.CE1 and K37.CE neighbor-bump: 3.15908 Ang V36.CG1 and K37.CG neighbor-bump: 3.2864 Ang V36.CG1 and K37.CA neighbor-bump: 2.18536 Ang V36.CG1 and K37.N self-bump: 2.41504 Ang V36.CG1 and V36.C self-bump: 1.31803 Ang V36.CA and V36.CB other bump:2.77478 Ang I23.CG1 and N27.ND2 other bump:2.05519 Ang I23.CD1 and N27.ND2 other bump:2.96605 Ang I23.CG1 and N27.CG other bump:2.33187 Ang I23.CD1 and N27.CG other bump:2.36456 Ang I23.CG1 and N27.CB other bump:1.94074 Ang I23.CD1 and N27.CB neighbor-bump: 2.58271 Ang E24.CG and E25.N other bump:2.79071 Ang K18.CE and A21.CB other bump:2.87119 Ang S5.CB and L17.CD2 T0187 105 :LDVIASGPAWPDSSTSEDALKVLEKYGIETSESVKRAILQE 1bouB 211 :LNFIDKLISDPEELSKMPHIQYLRESGSEGVELVMWLIMRG Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.37768 Ang L24.CD1 and S32.OG other bump:3.06025 Ang V23.CG1 and S32.CA other bump:1.43484 Ang Y27.O and T31.OG1 other bump:2.5106 Ang Y27.C and T31.OG1 other bump:3.09763 Ang Y27.C and T31.CG2 other bump:3.03311 Ang Y27.CA and T31.CG2 other bump:2.00225 Ang Y27.CB and T31.CG2 other bump:2.23016 Ang Y27.O and T31.CB other bump:2.76466 Ang Y27.C and T31.CB other bump:2.93313 Ang Y27.CB and T31.CB other bump:2.01391 Ang E18.CD and K22.CD other bump:2.02434 Ang E18.OE1 and K22.CD other bump:1.65069 Ang E18.OE2 and K22.CD other bump:2.76091 Ang E18.CD and K22.CG other bump:2.36347 Ang E18.OE1 and K22.CG other bump:2.88221 Ang E18.CD and K22.CB other bump:1.95781 Ang E18.OE1 and K22.CB neighbor-bump: 1.95453 Ang A10.O and W11.CD1 neighbor-bump: 2.50984 Ang A10.C and W11.CD1 other bump:2.84327 Ang I5.C and P9.CD other bump:1.66194 Ang I5.O and P9.CD other bump:3.08243 Ang A6.C and P9.CD other bump:2.35591 Ang I5.O and P9.CG T0187 146 :TPKHL 1bouB 295 :SGHSL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.64221 Ang P3.CG and L6.CD1 other bump:2.97411 Ang P3.CG and L6.CG neighbor-bump: 0.920763 Ang T2.O and P3.CD neighbor-bump: 2.52743 Ang T2.N and P3.CD neighbor-bump: 1.74312 Ang T2.CA and P3.CD neighbor-bump: 2.66358 Ang T2.CB and P3.CD neighbor-bump: 0.354053 Ang T2.C and P3.CD neighbor-bump: 1.14915 Ang T2.O and P3.CG neighbor-bump: 3.18244 Ang T2.CA and P3.CG neighbor-bump: 1.83472 Ang T2.C and P3.CG neighbor-bump: 2.14515 Ang T2.O and P3.CB neighbor-bump: 2.53672 Ang T2.C and P3.CB neighbor-bump: 2.69992 Ang T2.CG2 and P3.N Number of specific fragments= 5 total=298 Number of alignments=51 # 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 :PVPDEN 1bouB 2 :ARVTTG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.80785 Ang V2.CG1 and D4.OD1 T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEG 1bouB 33 :VFKGYQPIRDWIKQPGNMPDVVILVYNDHASAFDMNIIP Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues neighbor-bump: 2.25643 Ang L36.N and P37.CD self-bump: 1.36375 Ang P37.N and P37.CD other bump:2.58279 Ang E35.CB and P37.CD other bump:2.88122 Ang E35.C and P37.CD other bump:2.34674 Ang D20.CG and L23.CD2 other bump:2.37105 Ang D20.OD1 and L23.CD2 other bump:1.76217 Ang D20.OD2 and L23.CD2 other bump:1.25701 Ang L12.O and E18.OE1 other bump:2.31693 Ang L12.C and E18.OE1 other bump:2.50309 Ang L12.O and E18.CD other bump:2.71011 Ang E11.C and D14.OD1 other bump:2.24347 Ang E11.O and D14.OD1 other bump:2.50482 Ang R7.NE and E11.OE2 other bump:1.26891 Ang R7.CZ and E11.OE2 other bump:1.61052 Ang R7.NH2 and E11.OE2 other bump:1.13393 Ang R7.NH1 and E11.OE2 other bump:2.22057 Ang R7.CZ and E11.CD other bump:2.15239 Ang R7.NH2 and E11.CD other bump:2.27161 Ang R7.NH1 and E11.CD T0187 46 :VSLEEIQKLTS 1bouB 75 :IGCAETFKPAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 57 :ALLKSGASIEEINTVRKH 1bouB 104 :WHIAQSLILDEFDMTIMN Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.30643 Ang R17.CD and H19.NE2 other bump:1.62988 Ang R17.NE and H19.NE2 other bump:2.69009 Ang R17.CZ and H19.NE2 other bump:2.62437 Ang R17.NE and H19.CE1 other bump:2.73545 Ang R17.CD and H19.CD2 other bump:2.62979 Ang R17.NE and H19.CD2 other bump:3.01853 Ang K5.CE and T15.CG2 other bump:2.09527 Ang K5.NZ and T15.CG2 other bump:2.20521 Ang K5.NZ and T15.CB other bump:2.89364 Ang K5.CE and S9.OG T0187 75 :LSQVKG 1bouB 133 :LSMIFG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 81 :GRFAERVFPAKVVALVLSDV 1bouB 141 :EEWPCKVIPFPVNVVTYPPP Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.7455 Ang A15.CA and D20.OD2 other bump:2.20264 Ang A15.CA and D20.OD1 other bump:2.71138 Ang A15.C and D20.OD1 other bump:2.61937 Ang A15.CA and D20.CG other bump:2.41 Ang R7.CZ and F9.CZ other bump:1.53536 Ang R7.NH2 and F9.CZ other bump:2.71613 Ang R7.CZ and F9.CE2 other bump:2.80795 Ang R7.NH1 and F9.CE2 other bump:2.4619 Ang R7.NH2 and F9.CE2 other bump:2.61265 Ang R7.NH2 and F9.CE1 T0187 101 :LGDRLD 1bouB 168 :LGDSIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 107 :V 1bouB 185 :V Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 108 :IASGPAWPDSSTSEDALKVLEK 1bouB 214 :IDKLISDPEELSKMPHIQYLRE Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.65069 Ang E15.OE2 and K19.CD other bump:2.01391 Ang E15.CD and K19.CD other bump:2.02434 Ang E15.OE1 and K19.CD other bump:2.76091 Ang E15.CD and K19.CG other bump:2.36347 Ang E15.OE1 and K19.CG other bump:2.88221 Ang E15.CD and K19.CB other bump:1.95781 Ang E15.OE1 and K19.CB neighbor-bump: 1.95453 Ang A7.O and W8.CD1 neighbor-bump: 2.50984 Ang A7.C and W8.CD1 other bump:3.08243 Ang A3.C and P6.CD other bump:1.66194 Ang I2.O and P6.CD other bump:2.84327 Ang I2.C and P6.CD other bump:2.35591 Ang I2.O and P6.CG T0187 130 :YGIETSESVKRAIL 1bouB 264 :YHIPASNTALGAMI Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.64009 Ang Y2.CE2 and V10.CG1 other bump:2.47275 Ang Y2.CZ and V10.CG1 other bump:2.36262 Ang Y2.OH and V10.CG1 other bump:2.8096 Ang T6.OG1 and S9.C other bump:2.40394 Ang T6.OG1 and S9.O other bump:3.25229 Ang E5.CG and S7.C other bump:3.01239 Ang E5.CD and S7.C other bump:2.03234 Ang E5.OE2 and S7.O other bump:2.38135 Ang E5.CG and S7.O other bump:1.83143 Ang E5.CD and S7.O T0187 144 :QE 1bouB 279 :QP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 146 :TPKHL 1bouB 295 :SGHSL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.64221 Ang P3.CG and L6.CD1 other bump:2.97411 Ang P3.CG and L6.CG neighbor-bump: 0.920763 Ang T2.O and P3.CD neighbor-bump: 2.52743 Ang T2.N and P3.CD neighbor-bump: 1.74312 Ang T2.CA and P3.CD neighbor-bump: 2.66358 Ang T2.CB and P3.CD neighbor-bump: 0.354053 Ang T2.C and P3.CD neighbor-bump: 1.14915 Ang T2.O and P3.CG neighbor-bump: 3.18244 Ang T2.CA and P3.CG neighbor-bump: 1.83472 Ang T2.C and P3.CG neighbor-bump: 2.14515 Ang T2.O and P3.CB neighbor-bump: 2.53672 Ang T2.C and P3.CB neighbor-bump: 2.69992 Ang T2.CG2 and P3.N Number of specific fragments= 12 total=310 Number of alignments=52 # 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 12 :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=311 Number of alignments=53 # 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 12 :RRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEIQKLTSALLK 1bouB 170 :DSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEFDLNFIDKLI Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 51 residues other bump:2.07802 Ang E39.CG and K43.NZ other bump:2.57263 Ang E39.CD and K43.NZ other bump:1.8778 Ang L38.CD2 and I41.CD1 other bump:2.47126 Ang L38.CD2 and I41.CG1 other bump:3.06226 Ang L33.CD1 and V36.CG2 other bump:2.43658 Ang L33.O and V36.CG2 neighbor-bump: 2.03547 Ang L31.CB and P32.CD neighbor-bump: 2.38609 Ang L31.CB and P32.N self-bump: 2.1954 Ang L31.CB and L31.C self-bump: 1.34504 Ang L31.CA and L31.CB other bump:2.26899 Ang L28.CD1 and E30.O neighbor-bump: 2.78778 Ang G24.CA and G25.CA Number of specific fragments= 1 total=312 Number of alignments=54 # 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 12 :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=313 Number of alignments=55 # 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 12 :RRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEIQKLTSALLK 1bouB 170 :DSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEFDLNFIDKLI Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 51 residues other bump:2.07802 Ang E39.CG and K43.NZ other bump:2.57263 Ang E39.CD and K43.NZ other bump:1.8778 Ang L38.CD2 and I41.CD1 other bump:2.47126 Ang L38.CD2 and I41.CG1 other bump:3.06226 Ang L33.CD1 and V36.CG2 other bump:2.43658 Ang L33.O and V36.CG2 neighbor-bump: 2.03547 Ang L31.CB and P32.CD neighbor-bump: 2.38609 Ang L31.CB and P32.N self-bump: 2.1954 Ang L31.CB and L31.C self-bump: 1.34504 Ang L31.CA and L31.CB other bump:2.26899 Ang L28.CD1 and E30.O neighbor-bump: 2.78778 Ang G24.CA and G25.CA Number of specific fragments= 1 total=314 Number of alignments=56 # 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 :PDENTIKTTRRVLELVDQLNENDTVLFLL 1bouB 29 :YWGPVFKGYQPIRDWIKQPGNMPDVVILV Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.34674 Ang D24.CG and L27.CD2 other bump:2.37105 Ang D24.OD1 and L27.CD2 other bump:1.76217 Ang D24.OD2 and L27.CD2 other bump:1.25701 Ang L16.O and E22.OE1 other bump:2.31693 Ang L16.C and E22.OE1 other bump:2.50309 Ang L16.O and E22.CD other bump:2.24347 Ang E15.O and D18.OD1 other bump:2.71011 Ang E15.C and D18.OD1 other bump:2.50482 Ang R11.NE and E15.OE2 other bump:1.26891 Ang R11.CZ and E15.OE2 other bump:1.13393 Ang R11.NH1 and E15.OE2 other bump:1.61052 Ang R11.NH2 and E15.OE2 other bump:2.22057 Ang R11.CZ and E15.CD other bump:2.27161 Ang R11.NH1 and E15.CD other bump:2.15239 Ang R11.NH2 and E15.CD T0187 32 :SGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEIN 1bouB 84 :ADEGWGPRPVPDVKGHPDLAWHIAQSLILDEFDMTIMN Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.91532 Ang L29.N and I35.CD1 other bump:2.39847 Ang T25.O and I35.CD1 other bump:2.29799 Ang V16.CG1 and I21.CD1 other bump:2.99988 Ang S17.N and I21.CD1 neighbor-bump: 3.2178 Ang V16.CG1 and S17.C neighbor-bump: 2.33836 Ang V16.CG1 and S17.N other bump:2.22587 Ang F9.CE2 and L11.CD1 other bump:2.21094 Ang F9.CD2 and L11.CD1 other bump:2.3814 Ang F9.CE2 and L11.CG other bump:2.32788 Ang F9.CD2 and L11.CG neighbor-bump: 1.78613 Ang S6.O and S7.OG neighbor-bump: 2.64213 Ang S6.C and S7.OG neighbor-bump: 2.27793 Ang S6.O and S7.CB neighbor-bump: 2.65917 Ang S6.C and S7.CB T0187 70 :TVRKHLSQVKG 1bouB 128 :GCTVPLSMIFG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 3.22293 Ang V3.CG1 and R4.NH1 T0187 88 :FPAKVVALVLSDVLGDRL 1bouB 143 :WPCKVIPFPVNVVTYPPP Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.85096 Ang D13.O and R18.NH2 other bump:2.90223 Ang D13.C and R18.NH2 other bump:2.3287 Ang D13.C and R18.NH1 other bump:1.90442 Ang D13.CA and R18.NH1 other bump:1.01258 Ang D13.CB and R18.NH1 other bump:2.14222 Ang D13.CG and R18.NH1 other bump:1.75988 Ang D13.O and R18.CZ other bump:2.4353 Ang D13.C and R18.CZ other bump:2.59541 Ang D13.CA and R18.CZ other bump:2.30549 Ang D13.CB and R18.CZ other bump:3.09159 Ang D13.CA and R18.CD other bump:2.92113 Ang D13.CA and R18.CG T0187 106 :DVIASGPAWPDSSTSEDALKVLEKYGIE 1bouB 194 :SHQLQGPRAGLINKEFDLNFIDKLISDP Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:1.54363 Ang K25.O and E29.OE2 other bump:2.53199 Ang K25.C and E29.OE2 other bump:2.70079 Ang Y26.C and E29.OE2 other bump:2.15414 Ang K25.O and E29.CD other bump:3.17173 Ang K25.C and E29.CD other bump:2.35712 Ang K25.O and E29.CG neighbor-bump: 2.89008 Ang G27.C and I28.CG1 other bump:2.19938 Ang D2.CG and D18.OD2 other bump:1.71669 Ang D2.OD2 and D18.OD2 other bump:2.93636 Ang D2.CG and D18.CG other bump:2.09705 Ang D2.OD2 and D18.CG other bump:2.9434 Ang I4.CD1 and D12.CB neighbor-bump: 2.1762 Ang W10.CB and P11.CD neighbor-bump: 2.3509 Ang W10.CG and P11.CD neighbor-bump: 2.54968 Ang W10.CD2 and P11.CD neighbor-bump: 2.77612 Ang W10.CE3 and P11.CD neighbor-bump: 1.58617 Ang W10.CA and P11.CD neighbor-bump: 1.58848 Ang W10.O and P11.CD neighbor-bump: 0.673858 Ang W10.C and P11.CD self-bump: 1.35629 Ang P11.N and P11.CD neighbor-bump: 3.11802 Ang W10.CB and P11.CG neighbor-bump: 2.64625 Ang W10.CD2 and P11.CG neighbor-bump: 2.05064 Ang W10.CE3 and P11.CG neighbor-bump: 2.94702 Ang W10.CA and P11.CG neighbor-bump: 1.52158 Ang W10.O and P11.CG neighbor-bump: 1.7819 Ang W10.C and P11.CG self-bump: 2.21435 Ang P11.N and P11.CG neighbor-bump: 3.07526 Ang W10.CZ3 and P11.CG neighbor-bump: 1.84442 Ang W10.O and P11.CB neighbor-bump: 2.30065 Ang W10.C and P11.CB other bump:2.74476 Ang A5.C and W10.CD1 other bump:2.47777 Ang I4.O and W10.CD1 other bump:2.6601 Ang A5.CA and W10.CD1 neighbor-bump: 2.32553 Ang D2.O and V3.CG2 neighbor-bump: 2.81561 Ang D2.C and V3.CG2 T0187 134 :TSESVKRAILQETPKHL 1bouB 227 :MPHIQYLRESGSEGVEL Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.46477 Ang R8.NH1 and K16.NZ other bump:2.17425 Ang R8.CG and K16.NZ other bump:1.19673 Ang R8.CD and K16.NZ other bump:0.402089 Ang R8.NE and K16.NZ other bump:1.60965 Ang R8.CZ and K16.NZ other bump:2.62675 Ang R8.NH2 and K16.NZ other bump:2.8038 Ang R8.CB and K16.CE other bump:1.3415 Ang R8.CG and K16.CE other bump:1.68033 Ang R8.CD and K16.CE other bump:1.62748 Ang R8.NE and K16.CE other bump:2.73944 Ang R8.CG and K16.CD other bump:2.46637 Ang R8.NE and K16.CD other bump:3.25879 Ang Q12.CA and P15.CD other bump:3.06874 Ang Q12.CB and P15.CD other bump:2.2748 Ang Q12.O and P15.CD other bump:2.57191 Ang Q12.C and P15.CD other bump:2.90049 Ang E13.C and P15.CD neighbor-bump: 2.18582 Ang T14.N and P15.CD other bump:2.34573 Ang Q12.CG and P15.CD self-bump: 1.34766 Ang P15.N and P15.CD other bump:2.53609 Ang L11.C and P15.CG other bump:2.9974 Ang Q12.N and P15.CG other bump:2.81339 Ang Q12.CA and P15.CG other bump:2.48139 Ang Q12.CB and P15.CG other bump:2.81062 Ang Q12.C and P15.CG other bump:1.74087 Ang L11.O and P15.CG other bump:1.32947 Ang Q12.CG and P15.CG other bump:2.52564 Ang Q12.CD and P15.CG self-bump: 2.21004 Ang P15.N and P15.CG other bump:2.73874 Ang L11.C and P15.CB other bump:2.97902 Ang L11.CB and P15.CB other bump:2.20811 Ang L11.O and P15.CB other bump:2.69503 Ang Q12.CG and P15.CB neighbor-bump: 2.38446 Ang L11.O and Q12.CD neighbor-bump: 2.54994 Ang L11.C and Q12.CG neighbor-bump: 1.62197 Ang L11.O and Q12.CG Number of specific fragments= 6 total=320 Number of alignments=57 # 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 5 :ENTIKTTRRVLELVDQLNENDTVLFLL 1bouB 31 :GPVFKGYQPIRDWIKQPGNMPDVVILV Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.34674 Ang D22.CG and L25.CD2 other bump:2.37105 Ang D22.OD1 and L25.CD2 other bump:1.76217 Ang D22.OD2 and L25.CD2 other bump:1.25701 Ang L14.O and E20.OE1 other bump:2.31693 Ang L14.C and E20.OE1 other bump:2.50309 Ang L14.O and E20.CD other bump:2.24347 Ang E13.O and D16.OD1 other bump:2.71011 Ang E13.C and D16.OD1 other bump:2.50482 Ang R9.NE and E13.OE2 other bump:1.26891 Ang R9.CZ and E13.OE2 other bump:1.13393 Ang R9.NH1 and E13.OE2 other bump:1.61052 Ang R9.NH2 and E13.OE2 other bump:2.22057 Ang R9.CZ and E13.CD other bump:2.27161 Ang R9.NH1 and E13.CD other bump:2.15239 Ang R9.NH2 and E13.CD T0187 32 :SGGGSSL 1bouB 59 :NDHASAF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 40 :ELPLEG 1bouB 90 :PRPVPD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 47 :SLEEIQKLTSALLKSGASI 1bouB 99 :HPDLAWHIAQSLILDEFDM Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.91532 Ang L14.N and I20.CD1 other bump:2.39847 Ang T10.O and I20.CD1 other bump:2.99989 Ang S2.N and I6.CD1 T0187 69 :NTVRKHLSQVKG 1bouB 127 :HGCTVPLSMIFG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.54107 Ang N2.ND2 and K6.NZ neighbor-bump: 3.22293 Ang V4.CG1 and R5.NH1 T0187 86 :RVFPAKVVALVLSDVLGDRLD 1bouB 141 :EEWPCKVIPFPVNVVTYPPPS Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.85096 Ang D15.O and R20.NH2 other bump:2.90223 Ang D15.C and R20.NH2 other bump:2.3287 Ang D15.C and R20.NH1 other bump:1.01258 Ang D15.CB and R20.NH1 other bump:2.14222 Ang D15.CG and R20.NH1 other bump:1.90442 Ang D15.CA and R20.NH1 other bump:1.75988 Ang D15.O and R20.CZ other bump:2.4353 Ang D15.C and R20.CZ other bump:2.30549 Ang D15.CB and R20.CZ other bump:2.59541 Ang D15.CA and R20.CZ other bump:3.09159 Ang D15.CA and R20.CD other bump:2.92113 Ang D15.CA and R20.CG T0187 109 :ASGPAWP 1bouB 189 :GTGGMSH Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.10981 Ang W7.O and P8.CD neighbor-bump: 1.38118 Ang W7.C and P8.CD other bump:1.93606 Ang A6.O and P8.CD other bump:2.58877 Ang A6.C and P8.CD neighbor-bump: 2.14815 Ang W7.CA and P8.CD neighbor-bump: 2.63949 Ang W7.C and P8.CG other bump:2.5433 Ang A6.O and P8.CG neighbor-bump: 2.78778 Ang P5.CA and A6.CA neighbor-bump: 2.97443 Ang P5.CB and A6.CA neighbor-bump: 1.53995 Ang G4.CA and P5.CD neighbor-bump: 0.479205 Ang G4.C and P5.CD neighbor-bump: 1.37309 Ang G4.O and P5.CD neighbor-bump: 2.47304 Ang G4.N and P5.CD neighbor-bump: 2.80422 Ang G4.CA and P5.CG neighbor-bump: 1.50287 Ang G4.C and P5.CG neighbor-bump: 0.607663 Ang G4.O and P5.CG neighbor-bump: 2.40583 Ang G4.C and P5.CB neighbor-bump: 2.03675 Ang G4.O and P5.CB T0187 116 :DSSTSEDALKVLEKYGIE 1bouB 204 :LINKEFDLNFIDKLISDP Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.54363 Ang K15.O and E19.OE2 other bump:2.53199 Ang K15.C and E19.OE2 other bump:2.70079 Ang Y16.C and E19.OE2 other bump:2.15414 Ang K15.O and E19.CD other bump:3.17173 Ang K15.C and E19.CD other bump:2.35712 Ang K15.O and E19.CG neighbor-bump: 2.89008 Ang G17.C and I18.CG1 T0187 134 :TSESVKRAILQETPK 1bouB 226 :KMPHIQYLRESGSEG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.63913 Ang Q12.C and K16.NZ other bump:1.71228 Ang Q12.O and K16.CE other bump:2.39886 Ang Q12.C and K16.CE other bump:2.80451 Ang E13.CB and K16.CE other bump:0.818372 Ang Q12.O and K16.CD other bump:1.55254 Ang Q12.C and K16.CD other bump:2.80262 Ang E13.N and K16.CD other bump:2.80766 Ang E13.CB and K16.CD other bump:2.16507 Ang Q12.CA and K16.CD other bump:2.72196 Ang Q12.CB and K16.CD other bump:1.49382 Ang Q12.O and K16.CG other bump:2.56364 Ang Q12.C and K16.CG other bump:2.82079 Ang E13.CB and K16.CG other bump:2.42968 Ang Q12.O and K16.CB other bump:2.98939 Ang Q12.C and K16.CB other bump:2.87262 Ang Q12.CB and K16.CB neighbor-bump: 2.03294 Ang Q12.O and E13.CB neighbor-bump: 2.50524 Ang Q12.C and E13.CB Number of specific fragments= 9 total=329 Number of alignments=58 # 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 1 :PVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 159 :PPSGKRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:1.8778 Ang L48.CD2 and I51.CD1 other bump:2.47125 Ang L48.CD2 and I51.CG1 other bump:3.06226 Ang L43.CD1 and V46.CG2 other bump:2.43658 Ang L43.O and V46.CG2 neighbor-bump: 2.03547 Ang L41.CB and P42.CD neighbor-bump: 2.38609 Ang L41.CB and P42.N self-bump: 2.1954 Ang L41.CB and L41.C self-bump: 1.34504 Ang L41.CA and L41.CB other bump:2.26899 Ang L38.CD1 and E40.O neighbor-bump: 2.78778 Ang G34.CA and G35.CA other bump:2.48561 Ang V2.CG1 and N6.OD1 other bump:2.98407 Ang V2.CG1 and N6.CG other bump:2.83965 Ang V2.CG1 and N6.CB neighbor-bump: 2.84776 Ang V2.CG1 and P3.CD T0187 67 :EINTVRKHLS 1bouB 210 :DLNFIDKLIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 2 total=331 Number of alignments=59 # 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 1 :PVPDENTIKT 1bouB 158 :PPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30593 Ang D4.OD1 and T7.OG1 neighbor-bump: 2.73157 Ang V2.CG1 and P3.CD T0187 11 :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 67 :EINTVRKHLS 1bouB 210 :DLNFIDKLIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 3 total=334 Number of alignments=60 # 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 :P 1bouB 3 :R Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :DENTIKTTRRVLELVDQLN 1bouB 30 :WGPVFKGYQPIRDWIKQPG Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.71011 Ang E14.C and D17.OD1 other bump:2.24347 Ang E14.O and D17.OD1 other bump:2.50482 Ang R10.NE and E14.OE2 other bump:1.26891 Ang R10.CZ and E14.OE2 other bump:1.13393 Ang R10.NH1 and E14.OE2 other bump:1.61052 Ang R10.NH2 and E14.OE2 other bump:2.22057 Ang R10.CZ and E14.CD other bump:2.27161 Ang R10.NH1 and E14.CD other bump:2.15239 Ang R10.NH2 and E14.CD T0187 23 :ENDTVLFLLSGGGSSLFELPLEGV 1bouB 50 :MPDVVILVYNDHASAFDMNIIPTF Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.44578 Ang L20.CA and P21.CD neighbor-bump: 1.8135 Ang L20.C and P21.CD other bump:2.39704 Ang F18.CD1 and P21.CD other bump:1.32295 Ang F18.CE1 and P21.CD other bump:2.4756 Ang F18.CE2 and P21.CD other bump:1.42069 Ang F18.CZ and P21.CD neighbor-bump: 2.52249 Ang L20.CB and P21.CD neighbor-bump: 2.58707 Ang L20.C and P21.CG other bump:2.22336 Ang F18.CE1 and P21.N other bump:2.89074 Ang F18.CZ and P21.N other bump:2.06685 Ang F18.CE1 and L20.C other bump:2.87225 Ang F18.CZ and L20.C other bump:2.26109 Ang F18.CD1 and L20.CB other bump:1.46006 Ang F18.CE1 and L20.CB other bump:3.10712 Ang F18.CE2 and L20.CB other bump:2.11793 Ang F18.CZ and L20.CB other bump:2.35461 Ang F18.CD1 and L20.CA other bump:1.7271 Ang F18.CE1 and L20.CA other bump:2.93247 Ang F18.CZ and L20.CA other bump:3.00727 Ang F18.CG and L20.N other bump:1.70089 Ang F18.CD1 and L20.N other bump:2.06811 Ang F18.CE1 and L20.N neighbor-bump: 2.86776 Ang F18.CD1 and E19.C other bump:2.35471 Ang N3.ND2 and V6.CG2 T0187 47 :SLEEIQKLTSALLKSGASIEEIN 1bouB 99 :HPDLAWHIAQSLILDEFDMTIMN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.91532 Ang L14.N and I20.CD1 other bump:2.39847 Ang T10.O and I20.CD1 other bump:2.99989 Ang S2.N and I6.CD1 T0187 70 :TVRKHLSQVKG 1bouB 128 :GCTVPLSMIFG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 3.22293 Ang V3.CG1 and R4.NH1 T0187 88 :FPAKVVALVLSDVLGDRLD 1bouB 143 :WPCKVIPFPVNVVTYPPPS Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.85096 Ang D13.O and R18.NH2 other bump:2.90223 Ang D13.C and R18.NH2 other bump:2.3287 Ang D13.C and R18.NH1 other bump:1.90442 Ang D13.CA and R18.NH1 other bump:1.01258 Ang D13.CB and R18.NH1 other bump:2.14222 Ang D13.CG and R18.NH1 other bump:1.75988 Ang D13.O and R18.CZ other bump:2.4353 Ang D13.C and R18.CZ other bump:2.59541 Ang D13.CA and R18.CZ other bump:2.30549 Ang D13.CB and R18.CZ other bump:3.09159 Ang D13.CA and R18.CD other bump:2.92113 Ang D13.CA and R18.CG T0187 128 :EKYGIETSESVKRAILQETPKH 1bouB 162 :GKRCFALGDSIRAAVESFPEDL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.83363 Ang P21.CB and H23.NE2 other bump:3.00487 Ang P21.CB and H23.CD2 Number of specific fragments= 7 total=341 Number of alignments=61 # 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 5 :ENTIKTTRRVLELVDQLN 1bouB 31 :GPVFKGYQPIRDWIKQPG Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.71011 Ang E13.C and D16.OD1 other bump:2.24347 Ang E13.O and D16.OD1 other bump:2.50482 Ang R9.NE and E13.OE2 other bump:1.26891 Ang R9.CZ and E13.OE2 other bump:1.13393 Ang R9.NH1 and E13.OE2 other bump:1.61052 Ang R9.NH2 and E13.OE2 other bump:2.22057 Ang R9.CZ and E13.CD other bump:2.27161 Ang R9.NH1 and E13.CD other bump:2.15239 Ang R9.NH2 and E13.CD T0187 23 :ENDTVLFLLSGGGSSL 1bouB 50 :MPDVVILVYNDHASAF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.35471 Ang N3.ND2 and V6.CG2 T0187 40 :ELPLEGV 1bouB 90 :PRPVPDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 47 :SLEEIQKLTSALLKSGASIEEIN 1bouB 99 :HPDLAWHIAQSLILDEFDMTIMN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.91532 Ang L14.N and I20.CD1 other bump:2.39847 Ang T10.O and I20.CD1 other bump:2.99989 Ang S2.N and I6.CD1 T0187 70 :TVRKHLSQVKG 1bouB 128 :GCTVPLSMIFG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 3.22293 Ang V3.CG1 and R4.NH1 T0187 86 :RVFPAKVVALVLSDVLGDRLD 1bouB 141 :EEWPCKVIPFPVNVVTYPPPS Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.85096 Ang D15.O and R20.NH2 other bump:2.90223 Ang D15.C and R20.NH2 other bump:2.3287 Ang D15.C and R20.NH1 other bump:1.01258 Ang D15.CB and R20.NH1 other bump:2.14222 Ang D15.CG and R20.NH1 other bump:1.90442 Ang D15.CA and R20.NH1 other bump:1.75988 Ang D15.O and R20.CZ other bump:2.4353 Ang D15.C and R20.CZ other bump:2.30549 Ang D15.CB and R20.CZ other bump:2.59541 Ang D15.CA and R20.CZ other bump:3.09159 Ang D15.CA and R20.CD other bump:2.92113 Ang D15.CA and R20.CG T0187 107 :VIASGPAWP 1bouB 187 :VWGTGGMSH Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.10981 Ang W9.O and P10.CD neighbor-bump: 1.38118 Ang W9.C and P10.CD other bump:1.93606 Ang A8.O and P10.CD other bump:2.58877 Ang A8.C and P10.CD neighbor-bump: 2.14815 Ang W9.CA and P10.CD neighbor-bump: 2.63949 Ang W9.C and P10.CG other bump:2.5433 Ang A8.O and P10.CG neighbor-bump: 2.78778 Ang P7.CA and A8.CA neighbor-bump: 2.97443 Ang P7.CB and A8.CA neighbor-bump: 1.53995 Ang G6.CA and P7.CD neighbor-bump: 0.479205 Ang G6.C and P7.CD neighbor-bump: 1.37309 Ang G6.O and P7.CD neighbor-bump: 2.47304 Ang G6.N and P7.CD neighbor-bump: 2.80422 Ang G6.CA and P7.CG neighbor-bump: 1.50287 Ang G6.C and P7.CG neighbor-bump: 0.607663 Ang G6.O and P7.CG neighbor-bump: 2.40583 Ang G6.C and P7.CB neighbor-bump: 2.03675 Ang G6.O and P7.CB T0187 116 :DSSTSEDALKVLEKYGIE 1bouB 203 :GLINKEFDLNFIDKLISD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 134 :TSESVKRAILQETPK 1bouB 226 :KMPHIQYLRESGSEG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.63913 Ang Q12.C and K16.NZ other bump:1.71228 Ang Q12.O and K16.CE other bump:2.39886 Ang Q12.C and K16.CE other bump:2.80451 Ang E13.CB and K16.CE other bump:0.818372 Ang Q12.O and K16.CD other bump:1.55254 Ang Q12.C and K16.CD other bump:2.80262 Ang E13.N and K16.CD other bump:2.80766 Ang E13.CB and K16.CD other bump:2.16507 Ang Q12.CA and K16.CD other bump:2.72196 Ang Q12.CB and K16.CD other bump:1.49382 Ang Q12.O and K16.CG other bump:2.56364 Ang Q12.C and K16.CG other bump:2.82079 Ang E13.CB and K16.CG other bump:2.42968 Ang Q12.O and K16.CB other bump:2.98939 Ang Q12.C and K16.CB other bump:2.87262 Ang Q12.CB and K16.CB neighbor-bump: 2.03294 Ang Q12.O and E13.CB neighbor-bump: 2.50524 Ang Q12.C and E13.CB Number of specific fragments= 9 total=350 Number of alignments=62 # 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 1 :PVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 159 :PPSGKRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:1.8778 Ang L48.CD2 and I51.CD1 other bump:2.47125 Ang L48.CD2 and I51.CG1 other bump:3.06226 Ang L43.CD1 and V46.CG2 other bump:2.43658 Ang L43.O and V46.CG2 neighbor-bump: 2.03547 Ang L41.CB and P42.CD neighbor-bump: 2.38609 Ang L41.CB and P42.N self-bump: 2.1954 Ang L41.CB and L41.C self-bump: 1.34504 Ang L41.CA and L41.CB other bump:2.26899 Ang L38.CD1 and E40.O neighbor-bump: 2.78778 Ang G34.CA and G35.CA other bump:2.48561 Ang V2.CG1 and N6.OD1 other bump:2.98407 Ang V2.CG1 and N6.CG other bump:2.83965 Ang V2.CG1 and N6.CB neighbor-bump: 2.84776 Ang V2.CG1 and P3.CD T0187 67 :EINTVRKHLSQ 1bouB 210 :DLNFIDKLISD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 2 total=352 Number of alignments=63 # 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 1 :PVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 159 :PPSGKRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:1.8778 Ang L48.CD2 and I51.CD1 other bump:2.47125 Ang L48.CD2 and I51.CG1 other bump:3.06226 Ang L43.CD1 and V46.CG2 other bump:2.43658 Ang L43.O and V46.CG2 neighbor-bump: 2.03547 Ang L41.CB and P42.CD neighbor-bump: 2.38609 Ang L41.CB and P42.N self-bump: 2.1954 Ang L41.CB and L41.C self-bump: 1.34504 Ang L41.CA and L41.CB other bump:2.26899 Ang L38.CD1 and E40.O neighbor-bump: 2.78778 Ang G34.CA and G35.CA other bump:2.48561 Ang V2.CG1 and N6.OD1 other bump:2.98407 Ang V2.CG1 and N6.CG other bump:2.83965 Ang V2.CG1 and N6.CB neighbor-bump: 2.84776 Ang V2.CG1 and P3.CD T0187 67 :EINTVRKHLSQ 1bouB 210 :DLNFIDKLISD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 2 total=354 Number of alignments=64 # 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 :P 1bouB 3 :R Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :DENTIKTTRRVLELVDQLNENDTVLFLL 1bouB 30 :WGPVFKGYQPIRDWIKQPGNMPDVVILV Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.34674 Ang D23.CG and L26.CD2 other bump:2.37105 Ang D23.OD1 and L26.CD2 other bump:1.76217 Ang D23.OD2 and L26.CD2 other bump:1.25701 Ang L15.O and E21.OE1 other bump:2.31693 Ang L15.C and E21.OE1 other bump:2.50309 Ang L15.O and E21.CD other bump:2.24347 Ang E14.O and D17.OD1 other bump:2.71011 Ang E14.C and D17.OD1 other bump:2.50482 Ang R10.NE and E14.OE2 other bump:1.26891 Ang R10.CZ and E14.OE2 other bump:1.13393 Ang R10.NH1 and E14.OE2 other bump:1.61052 Ang R10.NH2 and E14.OE2 other bump:2.22057 Ang R10.CZ and E14.CD other bump:2.27161 Ang R10.NH1 and E14.CD other bump:2.15239 Ang R10.NH2 and E14.CD T0187 32 :SGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEIN 1bouB 84 :ADEGWGPRPVPDVKGHPDLAWHIAQSLILDEFDMTIMN Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.91532 Ang L29.N and I35.CD1 other bump:2.39847 Ang T25.O and I35.CD1 other bump:2.29799 Ang V16.CG1 and I21.CD1 other bump:2.99988 Ang S17.N and I21.CD1 neighbor-bump: 3.2178 Ang V16.CG1 and S17.C neighbor-bump: 2.33836 Ang V16.CG1 and S17.N other bump:2.22587 Ang F9.CE2 and L11.CD1 other bump:2.21094 Ang F9.CD2 and L11.CD1 other bump:2.3814 Ang F9.CE2 and L11.CG other bump:2.32788 Ang F9.CD2 and L11.CG neighbor-bump: 1.78613 Ang S6.O and S7.OG neighbor-bump: 2.64213 Ang S6.C and S7.OG neighbor-bump: 2.27793 Ang S6.O and S7.CB neighbor-bump: 2.65917 Ang S6.C and S7.CB T0187 70 :TVRKHLSQVKG 1bouB 128 :GCTVPLSMIFG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 3.22293 Ang V3.CG1 and R4.NH1 T0187 88 :FPAKVVALVLSDVLGDRL 1bouB 143 :WPCKVIPFPVNVVTYPPP Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.85096 Ang D13.O and R18.NH2 other bump:2.90223 Ang D13.C and R18.NH2 other bump:2.3287 Ang D13.C and R18.NH1 other bump:1.90442 Ang D13.CA and R18.NH1 other bump:1.01258 Ang D13.CB and R18.NH1 other bump:2.14222 Ang D13.CG and R18.NH1 other bump:1.75988 Ang D13.O and R18.CZ other bump:2.4353 Ang D13.C and R18.CZ other bump:2.59541 Ang D13.CA and R18.CZ other bump:2.30549 Ang D13.CB and R18.CZ other bump:3.09159 Ang D13.CA and R18.CD other bump:2.92113 Ang D13.CA and R18.CG T0187 106 :DVIASGPAWP 1bouB 174 :AAVESFPEDL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:1.96183 Ang A9.O and P11.CD other bump:2.436 Ang A9.C and P11.CD T0187 116 :DSSTSEDALKVLEKYGIETSESVKRAILQETPKHL 1bouB 210 :DLNFIDKLISDPEELSKMPHIQYLRESGSEGVELV Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.0947 Ang Q30.C and P33.CD other bump:3.17255 Ang E31.CA and P33.CD other bump:2.43419 Ang E31.C and P33.CD neighbor-bump: 2.13303 Ang T32.N and P33.CD self-bump: 1.35336 Ang P33.N and P33.CD other bump:2.45006 Ang Q30.O and P33.CG other bump:3.27082 Ang Q30.C and P33.CG self-bump: 2.21856 Ang P33.N and P33.CG other bump:3.06025 Ang V24.CG1 and P33.CA other bump:2.88625 Ang I28.CD1 and T32.C other bump:2.63804 Ang I28.CD1 and T32.O other bump:1.43484 Ang I28.O and T32.OG1 other bump:2.5106 Ang I28.C and T32.OG1 other bump:3.03311 Ang I28.CA and T32.CG2 other bump:1.92815 Ang I28.CB and T32.CG2 other bump:1.92712 Ang I28.CG1 and T32.CG2 other bump:2.22498 Ang I28.CD1 and T32.CG2 other bump:3.09763 Ang I28.C and T32.CG2 other bump:2.89266 Ang I28.CB and T32.CB other bump:2.40175 Ang I28.CG1 and T32.CB other bump:2.96154 Ang I28.CD1 and T32.CB other bump:2.23016 Ang I28.O and T32.CB other bump:2.76466 Ang I28.C and T32.CB other bump:2.07702 Ang V24.CG1 and I28.CD1 other bump:2.66387 Ang V24.CG1 and I28.CG1 other bump:2.2683 Ang E19.OE1 and S23.OG other bump:2.90748 Ang E19.CD and S23.CB other bump:1.99497 Ang E19.OE1 and S23.CB other bump:2.1863 Ang T5.CG2 and Y16.OH other bump:2.69143 Ang T5.CG2 and Y16.CZ other bump:2.75928 Ang A9.CA and L13.CD2 other bump:2.85644 Ang A9.C and L13.CD2 other bump:2.27172 Ang A9.O and L13.CD2 other bump:2.38475 Ang A9.O and L13.CG neighbor-bump: 2.55324 Ang K11.O and V12.CG2 neighbor-bump: 2.8695 Ang K11.C and V12.CG2 Number of specific fragments= 7 total=361 Number of alignments=65 # 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 5 :ENTIKTTRRVLELVDQLNE 1bouB 31 :GPVFKGYQPIRDWIKQPGN Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.88096 Ang L14.CD1 and E20.OE2 other bump:2.41793 Ang L14.CD2 and E20.OE1 other bump:2.76826 Ang L14.CD1 and E20.OE1 other bump:2.71011 Ang E13.C and D16.OD1 other bump:2.24347 Ang E13.O and D16.OD1 other bump:2.50482 Ang R9.NE and E13.OE2 other bump:1.26891 Ang R9.CZ and E13.OE2 other bump:1.13393 Ang R9.NH1 and E13.OE2 other bump:1.61052 Ang R9.NH2 and E13.OE2 other bump:2.22057 Ang R9.CZ and E13.CD other bump:2.27161 Ang R9.NH1 and E13.CD other bump:2.15239 Ang R9.NH2 and E13.CD T0187 24 :NDTVLFLLSGGGSSL 1bouB 51 :PDVVILVYNDHASAF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.3547 Ang N2.ND2 and V5.CG2 T0187 40 :ELPLEGVSLEEIQKLTSALLKSGASIEEIN 1bouB 92 :PVPDVKGHPDLAWHIAQSLILDEFDMTIMN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.91532 Ang L21.N and I27.CD1 other bump:2.39847 Ang T17.O and I27.CD1 other bump:2.29799 Ang V8.CG1 and I13.CD1 other bump:2.99988 Ang S9.N and I13.CD1 neighbor-bump: 3.2178 Ang V8.CG1 and S9.C neighbor-bump: 2.33836 Ang V8.CG1 and S9.N T0187 70 :TVRKHLSQVKGGR 1bouB 128 :GCTVPLSMIFGEP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 3.22293 Ang V3.CG1 and R4.NH1 T0187 86 :RVFPAKVVALVLSDVLGDRL 1bouB 141 :EEWPCKVIPFPVNVVTYPPP Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.85096 Ang D15.O and R20.NH2 other bump:2.90223 Ang D15.C and R20.NH2 other bump:2.3287 Ang D15.C and R20.NH1 other bump:1.01258 Ang D15.CB and R20.NH1 other bump:2.14222 Ang D15.CG and R20.NH1 other bump:1.90442 Ang D15.CA and R20.NH1 other bump:1.75988 Ang D15.O and R20.CZ other bump:2.4353 Ang D15.C and R20.CZ other bump:2.30549 Ang D15.CB and R20.CZ other bump:2.59541 Ang D15.CA and R20.CZ other bump:3.09159 Ang D15.CA and R20.CD other bump:2.92113 Ang D15.CA and R20.CG T0187 106 :DVIASGPAWP 1bouB 174 :AAVESFPEDL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:1.96183 Ang A9.O and P11.CD other bump:2.436 Ang A9.C and P11.CD T0187 119 :TSEDALKVLEKYGIE 1bouB 206 :NKEFDLNFIDKLISD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 134 :TSESVKRAILQETP 1bouB 226 :KMPHIQYLRESGSE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.03294 Ang Q12.O and E13.CB neighbor-bump: 2.50524 Ang Q12.C and E13.CB Number of specific fragments= 8 total=369 Number of alignments=66 # 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 :PD 1bouB 11 :SH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 5 :ENTIKTTRRVLELV 1bouB 31 :GPVFKGYQPIRDWI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.50482 Ang R9.NE and E13.OE2 other bump:1.26891 Ang R9.CZ and E13.OE2 other bump:1.13393 Ang R9.NH1 and E13.OE2 other bump:1.61052 Ang R9.NH2 and E13.OE2 other bump:2.22057 Ang R9.CZ and E13.CD other bump:2.27161 Ang R9.NH1 and E13.CD other bump:2.15239 Ang R9.NH2 and E13.CD T0187 19 :DQLN 1bouB 48 :GNMP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 25 :DTVLFLLSGGGSSL 1bouB 52 :DVVILVYNDHASAF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 39 :FELPLEGVS 1bouB 87 :GWGPRPVPD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.77413 Ang G1.O and F2.CD1 neighbor-bump: 2.21804 Ang G1.O and F2.CG self-bump: 1.39971 Ang F2.CA and F2.CB T0187 48 :LEEIQKLTSALLKSGAS 1bouB 100 :PDLAWHIAQSLILDEFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 65 :IEEINTV 1bouB 130 :TVPLSMI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 72 :RKHLSQ 1bouB 163 :KRCFAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 80 :GGRFAERVFPAK 1bouB 169 :GDSIRAAVESFP Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.98594 Ang E7.C and P11.CD neighbor-bump: 2.39708 Ang F10.N and P11.CD other bump:1.87493 Ang E7.O and P11.CD neighbor-bump: 2.41218 Ang F10.CA and P11.CD neighbor-bump: 2.73554 Ang F10.CB and P11.CD neighbor-bump: 2.06218 Ang F10.C and P11.CD self-bump: 1.31347 Ang P11.N and P11.CD other bump:2.9976 Ang E7.C and P11.CG other bump:1.79279 Ang E7.O and P11.CG self-bump: 2.17153 Ang P11.N and P11.CG other bump:2.99617 Ang F5.CE2 and R8.NH2 other bump:2.63727 Ang F5.CD2 and R8.NH2 T0187 92 :VVALVLSDVLGDR 1bouB 184 :NVHVWGTGGMSHQ Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.39182 Ang V10.CG1 and G12.N neighbor-bump: 2.52043 Ang V10.CB and L11.C neighbor-bump: 1.10104 Ang V10.CG1 and L11.C neighbor-bump: 3.12389 Ang V10.CG2 and L11.C neighbor-bump: 2.41413 Ang V10.CB and L11.O neighbor-bump: 1.44698 Ang V10.CG1 and L11.O neighbor-bump: 2.61598 Ang V10.CG2 and L11.O neighbor-bump: 2.86515 Ang V10.CB and L11.CD2 neighbor-bump: 2.80346 Ang V10.CB and L11.CB neighbor-bump: 2.12141 Ang V10.CG1 and L11.CB self-bump: 1.27922 Ang L11.CA and L11.CB neighbor-bump: 2.78778 Ang V10.CA and L11.CA neighbor-bump: 2.063 Ang V10.CB and L11.CA neighbor-bump: 1.04988 Ang V10.CG1 and L11.CA neighbor-bump: 2.40946 Ang V10.CB and L11.N neighbor-bump: 1.73319 Ang V10.CG1 and L11.N self-bump: 2.19582 Ang V10.CB and V10.C self-bump: 2.31778 Ang V10.CG1 and V10.C self-bump: 1.29926 Ang V10.CA and V10.CB neighbor-bump: 2.20774 Ang S8.O and D9.OD2 neighbor-bump: 1.79734 Ang S8.O and D9.CG neighbor-bump: 2.55142 Ang S8.C and D9.CG neighbor-bump: 2.22239 Ang S8.O and D9.CB neighbor-bump: 2.63451 Ang S8.C and D9.CB T0187 114 :WPDSS 1bouB 197 :LQGPR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.37898 Ang D4.CB and S5.N self-bump: 2.19138 Ang D4.CB and D4.C self-bump: 1.35577 Ang D4.CA and D4.CB T0187 119 :TSEDALKVLEK 1bouB 206 :NKEFDLNFIDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 130 :YGIE 1bouB 225 :SKMP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 137 :SVKRAILQETPKH 1bouB 229 :HIQYLRESGSEGV Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.24296 Ang T11.C and H14.ND1 other bump:2.15372 Ang T11.O and H14.ND1 other bump:1.30554 Ang Q9.CD and K13.NZ other bump:1.76504 Ang Q9.OE1 and K13.NZ other bump:1.30776 Ang Q9.NE2 and K13.NZ other bump:2.58004 Ang Q9.CA and K13.CE other bump:2.04512 Ang Q9.CD and K13.CE other bump:1.83614 Ang Q9.OE1 and K13.CE other bump:2.73253 Ang Q9.NE2 and K13.CE other bump:2.56106 Ang Q9.CB and K13.CE other bump:2.77335 Ang Q9.CG and K13.CE other bump:2.96639 Ang Q9.N and K13.CD other bump:2.29128 Ang Q9.O and K13.CD other bump:2.25854 Ang Q9.C and K13.CD other bump:1.68143 Ang Q9.CA and K13.CD other bump:2.42599 Ang Q9.CD and K13.CD other bump:2.54607 Ang Q9.OE1 and K13.CD other bump:1.25581 Ang Q9.CB and K13.CD other bump:2.19904 Ang Q9.CG and K13.CD other bump:3.04058 Ang Q9.C and K13.CG other bump:2.9963 Ang Q9.CA and K13.CG other bump:2.0211 Ang Q9.CB and K13.CG other bump:2.97086 Ang Q9.CG and K13.CG other bump:2.24471 Ang Q9.O and K13.CB other bump:2.76696 Ang Q9.C and K13.CB other bump:2.86402 Ang Q9.CB and K13.CB neighbor-bump: 2.03294 Ang Q9.O and E10.CB neighbor-bump: 2.50524 Ang Q9.C and E10.CB Number of specific fragments= 14 total=383 Number of alignments=67 # 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 :PD 1bouB 12 :HI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues neighbor-bump: 2.17685 Ang G1.O and P2.CD neighbor-bump: 1.22153 Ang G1.C and P2.CD self-bump: 1.30081 Ang P2.N and P2.CD neighbor-bump: 2.53573 Ang G1.O and P2.CG neighbor-bump: 2.25842 Ang G1.C and P2.CG self-bump: 2.14979 Ang P2.N and P2.CG T0187 5 :ENTIKTTRRVLELV 1bouB 31 :GPVFKGYQPIRDWI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.50482 Ang R9.NE and E13.OE2 other bump:1.26891 Ang R9.CZ and E13.OE2 other bump:1.13393 Ang R9.NH1 and E13.OE2 other bump:1.61052 Ang R9.NH2 and E13.OE2 other bump:2.22057 Ang R9.CZ and E13.CD other bump:2.27161 Ang R9.NH1 and E13.CD other bump:2.15239 Ang R9.NH2 and E13.CD T0187 19 :DQLN 1bouB 48 :GNMP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 25 :DTVLFLLSGGGSSL 1bouB 52 :DVVILVYNDHASAF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 39 :FELPLEG 1bouB 87 :GWGPRPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 1.77413 Ang G1.O and F2.CD1 neighbor-bump: 2.21804 Ang G1.O and F2.CG self-bump: 1.39971 Ang F2.CA and F2.CB T0187 46 :VSLEEIQKLTSALLKSGAS 1bouB 98 :GHPDLAWHIAQSLILDEFD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.29799 Ang V2.CG1 and I7.CD1 other bump:2.99988 Ang S3.N and I7.CD1 neighbor-bump: 3.21781 Ang V2.CG1 and S3.C neighbor-bump: 2.33836 Ang V2.CG1 and S3.N T0187 65 :IEEINTV 1bouB 130 :TVPLSMI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 72 :RKHLS 1bouB 163 :KRCFA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 80 :GGRFAERVFPAK 1bouB 169 :GDSIRAAVESFP Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.98594 Ang E7.C and P11.CD neighbor-bump: 2.39708 Ang F10.N and P11.CD other bump:1.87493 Ang E7.O and P11.CD neighbor-bump: 2.41218 Ang F10.CA and P11.CD neighbor-bump: 2.73554 Ang F10.CB and P11.CD neighbor-bump: 2.06218 Ang F10.C and P11.CD self-bump: 1.31347 Ang P11.N and P11.CD other bump:2.9976 Ang E7.C and P11.CG other bump:1.79279 Ang E7.O and P11.CG self-bump: 2.17153 Ang P11.N and P11.CG other bump:2.99617 Ang F5.CE2 and R8.NH2 other bump:2.63727 Ang F5.CD2 and R8.NH2 T0187 92 :VVALVLSDVLGDR 1bouB 184 :NVHVWGTGGMSHQ Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.39182 Ang V10.CG1 and G12.N neighbor-bump: 2.52043 Ang V10.CB and L11.C neighbor-bump: 1.10104 Ang V10.CG1 and L11.C neighbor-bump: 3.12389 Ang V10.CG2 and L11.C neighbor-bump: 2.41413 Ang V10.CB and L11.O neighbor-bump: 1.44698 Ang V10.CG1 and L11.O neighbor-bump: 2.61598 Ang V10.CG2 and L11.O neighbor-bump: 2.86515 Ang V10.CB and L11.CD2 neighbor-bump: 2.80346 Ang V10.CB and L11.CB neighbor-bump: 2.12141 Ang V10.CG1 and L11.CB self-bump: 1.27922 Ang L11.CA and L11.CB neighbor-bump: 2.78778 Ang V10.CA and L11.CA neighbor-bump: 2.063 Ang V10.CB and L11.CA neighbor-bump: 1.04988 Ang V10.CG1 and L11.CA neighbor-bump: 2.40946 Ang V10.CB and L11.N neighbor-bump: 1.73319 Ang V10.CG1 and L11.N self-bump: 2.19582 Ang V10.CB and V10.C self-bump: 2.31778 Ang V10.CG1 and V10.C self-bump: 1.29926 Ang V10.CA and V10.CB neighbor-bump: 2.20774 Ang S8.O and D9.OD2 neighbor-bump: 1.79734 Ang S8.O and D9.CG neighbor-bump: 2.55142 Ang S8.C and D9.CG neighbor-bump: 2.22239 Ang S8.O and D9.CB neighbor-bump: 2.63451 Ang S8.C and D9.CB T0187 114 :WPDSS 1bouB 197 :LQGPR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.37898 Ang D4.CB and S5.N self-bump: 2.19138 Ang D4.CB and D4.C self-bump: 1.35577 Ang D4.CA and D4.CB T0187 119 :TSEDALKVL 1bouB 206 :NKEFDLNFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 128 :EKYGIE 1bouB 223 :ELSKMP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 137 :SVKRAILQETPKH 1bouB 229 :HIQYLRESGSEGV Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.24296 Ang T11.C and H14.ND1 other bump:2.15372 Ang T11.O and H14.ND1 other bump:1.30554 Ang Q9.CD and K13.NZ other bump:1.76504 Ang Q9.OE1 and K13.NZ other bump:1.30776 Ang Q9.NE2 and K13.NZ other bump:2.58004 Ang Q9.CA and K13.CE other bump:2.04512 Ang Q9.CD and K13.CE other bump:1.83614 Ang Q9.OE1 and K13.CE other bump:2.73253 Ang Q9.NE2 and K13.CE other bump:2.56106 Ang Q9.CB and K13.CE other bump:2.77335 Ang Q9.CG and K13.CE other bump:2.96639 Ang Q9.N and K13.CD other bump:2.29128 Ang Q9.O and K13.CD other bump:2.25854 Ang Q9.C and K13.CD other bump:1.68143 Ang Q9.CA and K13.CD other bump:2.42599 Ang Q9.CD and K13.CD other bump:2.54607 Ang Q9.OE1 and K13.CD other bump:1.25581 Ang Q9.CB and K13.CD other bump:2.19904 Ang Q9.CG and K13.CD other bump:3.04058 Ang Q9.C and K13.CG other bump:2.9963 Ang Q9.CA and K13.CG other bump:2.0211 Ang Q9.CB and K13.CG other bump:2.97086 Ang Q9.CG and K13.CG other bump:2.24471 Ang Q9.O and K13.CB other bump:2.76696 Ang Q9.C and K13.CB other bump:2.86402 Ang Q9.CB and K13.CB neighbor-bump: 2.03294 Ang Q9.O and E10.CB neighbor-bump: 2.50524 Ang Q9.C and E10.CB Number of specific fragments= 14 total=397 Number of alignments=68 # 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 1 :PVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 159 :PPSGKRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:1.8778 Ang L48.CD2 and I51.CD1 other bump:2.47125 Ang L48.CD2 and I51.CG1 other bump:3.06226 Ang L43.CD1 and V46.CG2 other bump:2.43658 Ang L43.O and V46.CG2 neighbor-bump: 2.03547 Ang L41.CB and P42.CD neighbor-bump: 2.38609 Ang L41.CB and P42.N self-bump: 2.1954 Ang L41.CB and L41.C self-bump: 1.34504 Ang L41.CA and L41.CB other bump:2.26899 Ang L38.CD1 and E40.O neighbor-bump: 2.78778 Ang G34.CA and G35.CA other bump:2.48561 Ang V2.CG1 and N6.OD1 other bump:2.98407 Ang V2.CG1 and N6.CG other bump:2.83965 Ang V2.CG1 and N6.CB neighbor-bump: 2.84776 Ang V2.CG1 and P3.CD T0187 67 :EINTVRKHLSQ 1bouB 210 :DLNFIDKLISD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 2 total=399 Number of alignments=69 # 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 1 :PVPDENTIKT 1bouB 158 :PPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30593 Ang D4.OD1 and T7.OG1 neighbor-bump: 2.73157 Ang V2.CG1 and P3.CD T0187 11 :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 67 :EINTVRKHLS 1bouB 210 :DLNFIDKLIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 3 total=402 Number of alignments=70 # 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 1 :PVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 159 :PPSGKRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:1.8778 Ang L48.CD2 and I51.CD1 other bump:2.47125 Ang L48.CD2 and I51.CG1 other bump:3.06226 Ang L43.CD1 and V46.CG2 other bump:2.43658 Ang L43.O and V46.CG2 neighbor-bump: 2.03547 Ang L41.CB and P42.CD neighbor-bump: 2.38609 Ang L41.CB and P42.N self-bump: 2.1954 Ang L41.CB and L41.C self-bump: 1.34504 Ang L41.CA and L41.CB other bump:2.26899 Ang L38.CD1 and E40.O neighbor-bump: 2.78778 Ang G34.CA and G35.CA other bump:2.48561 Ang V2.CG1 and N6.OD1 other bump:2.98407 Ang V2.CG1 and N6.CG other bump:2.83965 Ang V2.CG1 and N6.CB neighbor-bump: 2.84776 Ang V2.CG1 and P3.CD T0187 67 :EINTVRKHLSQ 1bouB 210 :DLNFIDKLISD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 2 total=404 Number of alignments=71 # 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 1 :PVPDENTIKT 1bouB 158 :PPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30593 Ang D4.OD1 and T7.OG1 neighbor-bump: 2.73157 Ang V2.CG1 and P3.CD T0187 11 :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 67 :EINTVRKHLS 1bouB 210 :DLNFIDKLIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 3 total=407 Number of alignments=72 # 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 1 :PVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGV 1bouB 159 :PPSGKRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:3.06226 Ang L43.CD1 and V46.CG2 other bump:2.43658 Ang L43.O and V46.CG2 neighbor-bump: 2.03547 Ang L41.CB and P42.CD neighbor-bump: 2.38609 Ang L41.CB and P42.N self-bump: 2.1954 Ang L41.CB and L41.C self-bump: 1.34504 Ang L41.CA and L41.CB other bump:2.26899 Ang L38.CD1 and E40.O neighbor-bump: 2.78778 Ang G34.CA and G35.CA other bump:2.48561 Ang V2.CG1 and N6.OD1 other bump:2.98407 Ang V2.CG1 and N6.CG other bump:2.83965 Ang V2.CG1 and N6.CB neighbor-bump: 2.84776 Ang V2.CG1 and P3.CD Number of specific fragments= 1 total=408 Number of alignments=73 # 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 5 :ENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 163 :KRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:1.8778 Ang L45.CD2 and I48.CD1 other bump:2.47125 Ang L45.CD2 and I48.CG1 other bump:3.06226 Ang L40.CD1 and V43.CG2 other bump:2.43658 Ang L40.O and V43.CG2 neighbor-bump: 2.03547 Ang L38.CB and P39.CD neighbor-bump: 2.38609 Ang L38.CB and P39.N self-bump: 2.1954 Ang L38.CB and L38.C self-bump: 1.34504 Ang L38.CA and L38.CB other bump:2.26899 Ang L35.CD1 and E37.O neighbor-bump: 2.78778 Ang G31.CA and G32.CA T0187 52 :QKLTSALLKSGASIEEI 1bouB 211 :LNFIDKLISDPEELSKM Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.75589 Ang A13.CA and E16.OE2 other bump:1.81668 Ang A13.O and E16.OE2 other bump:2.0027 Ang A13.C and E16.OE2 other bump:2.45705 Ang A13.CB and E16.OE2 other bump:1.29361 Ang G12.O and E16.OE1 other bump:2.05886 Ang A13.CA and E16.OE1 other bump:2.13089 Ang A13.C and E16.OE1 other bump:2.01821 Ang G12.C and E16.OE1 other bump:2.31923 Ang A13.N and E16.OE1 other bump:2.55216 Ang G12.O and E16.CD other bump:2.12639 Ang A13.CA and E16.CD other bump:1.86091 Ang A13.O and E16.CD other bump:2.11308 Ang A13.C and E16.CD other bump:3.14418 Ang G12.C and E16.CD other bump:2.69483 Ang A7.CB and I15.CD1 other bump:2.72759 Ang A7.CB and I15.CG1 Number of specific fragments= 2 total=410 Number of alignments=74 # 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 18 :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=411 Number of alignments=75 # 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=411 # 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 1 :PVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGV 1bouB 159 :PPSGKRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:3.06226 Ang L43.CD1 and V46.CG2 other bump:2.43658 Ang L43.O and V46.CG2 neighbor-bump: 2.03547 Ang L41.CB and P42.CD neighbor-bump: 2.38609 Ang L41.CB and P42.N self-bump: 2.1954 Ang L41.CB and L41.C self-bump: 1.34504 Ang L41.CA and L41.CB other bump:2.26899 Ang L38.CD1 and E40.O neighbor-bump: 2.78778 Ang G34.CA and G35.CA other bump:2.48561 Ang V2.CG1 and N6.OD1 other bump:2.98407 Ang V2.CG1 and N6.CG other bump:2.83965 Ang V2.CG1 and N6.CB neighbor-bump: 2.84776 Ang V2.CG1 and P3.CD Number of specific fragments= 1 total=412 Number of alignments=76 # 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 5 :ENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 163 :KRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:1.8778 Ang L45.CD2 and I48.CD1 other bump:2.47125 Ang L45.CD2 and I48.CG1 other bump:3.06226 Ang L40.CD1 and V43.CG2 other bump:2.43658 Ang L40.O and V43.CG2 neighbor-bump: 2.03547 Ang L38.CB and P39.CD neighbor-bump: 2.38609 Ang L38.CB and P39.N self-bump: 2.1954 Ang L38.CB and L38.C self-bump: 1.34504 Ang L38.CA and L38.CB other bump:2.26899 Ang L35.CD1 and E37.O neighbor-bump: 2.78778 Ang G31.CA and G32.CA T0187 52 :QKLTSALLKSGASIEEI 1bouB 211 :LNFIDKLISDPEELSKM Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.75589 Ang A13.CA and E16.OE2 other bump:1.81668 Ang A13.O and E16.OE2 other bump:2.0027 Ang A13.C and E16.OE2 other bump:2.45705 Ang A13.CB and E16.OE2 other bump:1.29361 Ang G12.O and E16.OE1 other bump:2.05886 Ang A13.CA and E16.OE1 other bump:2.13089 Ang A13.C and E16.OE1 other bump:2.01821 Ang G12.C and E16.OE1 other bump:2.31923 Ang A13.N and E16.OE1 other bump:2.55216 Ang G12.O and E16.CD other bump:2.12639 Ang A13.CA and E16.CD other bump:1.86091 Ang A13.O and E16.CD other bump:2.11308 Ang A13.C and E16.CD other bump:3.14418 Ang G12.C and E16.CD other bump:2.69483 Ang A7.CB and I15.CD1 other bump:2.72759 Ang A7.CB and I15.CG1 Number of specific fragments= 2 total=414 Number of alignments=77 # Prefix for input files set to 1xxbA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1xxbA-T0187-local-adpstyle1.pw.a2m.gz # 1xxbA read from 1xxbA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1xxbA in template set T0187 16 :ELVDQLNENDTVLFLLSGGGSSL 1xxbA 110 :RLLDSLGKAEGILGTIAGDDTIF Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.37161 Ang D5.OD1 and L16.CD2 other bump:2.84794 Ang D5.CG and L16.CD2 other bump:2.53329 Ang G1.O and L16.CD1 other bump:2.53977 Ang D5.OD1 and L16.CD1 other bump:2.4669 Ang V4.CB and L16.CD1 other bump:2.51166 Ang V4.CG1 and L16.CD1 neighbor-bump: 1.87991 Ang D11.O and T12.OG1 neighbor-bump: 2.66138 Ang D11.C and T12.OG1 other bump:1.66536 Ang N8.O and D11.OD2 other bump:2.70555 Ang N8.C and D11.OD2 other bump:2.58659 Ang L7.CA and D11.OD1 other bump:2.29795 Ang L7.CB and D11.OD1 other bump:2.80026 Ang L7.C and D11.OD1 other bump:2.15356 Ang L7.CD2 and D11.OD1 neighbor-bump: 2.40366 Ang L7.O and N8.CG Number of specific fragments= 1 total=415 Number of alignments=78 # Reading fragments from alignment file # T0187 read from 1xxbA-T0187-local-adpstyle5.pw.a2m.gz # 1xxbA read from 1xxbA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1xxbA in template set T0187 13 :RVLELVDQLNENDTVLFLLSGGG 1xxbA 107 :LIARLLDSLGKAEGILGTIAGDD Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.23114 Ang L4.CD1 and S21.OG other bump:2.61323 Ang L4.CG and S21.CB other bump:1.21726 Ang L4.CD1 and S21.CB other bump:2.1313 Ang L4.CD1 and S21.CA other bump:2.68885 Ang L4.CD1 and S21.N other bump:2.37161 Ang D8.OD1 and L19.CD2 other bump:2.84794 Ang D8.CG and L19.CD2 other bump:2.53329 Ang L4.O and L19.CD1 other bump:2.53977 Ang D8.OD1 and L19.CD1 other bump:2.4669 Ang V7.CB and L19.CD1 other bump:2.51166 Ang V7.CG1 and L19.CD1 neighbor-bump: 1.87991 Ang D14.O and T15.OG1 neighbor-bump: 2.66138 Ang D14.C and T15.OG1 other bump:1.66536 Ang N11.O and D14.OD2 other bump:2.70555 Ang N11.C and D14.OD2 other bump:2.58659 Ang L10.CA and D14.OD1 other bump:2.29795 Ang L10.CB and D14.OD1 other bump:2.80026 Ang L10.C and D14.OD1 other bump:2.15356 Ang L10.CD2 and D14.OD1 neighbor-bump: 2.40366 Ang L10.O and N11.CG T0187 37 :SLFELPLEGVSLEEI 1xxbA 130 :TIFTTPANGFTVKDL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:3.07111 Ang P7.CG and L13.CD2 other bump:2.85436 Ang P7.CD and L13.CD2 other bump:2.98724 Ang P7.CB and V11.CG1 other bump:2.95144 Ang L8.N and V11.CG1 other bump:2.19077 Ang L8.O and V11.CG1 Number of specific fragments= 2 total=417 Number of alignments=79 # Reading fragments from alignment file # T0187 read from 1xxbA-T0187-vit-adpstyle1.pw.a2m.gz # 1xxbA read from 1xxbA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1xxbA in template set T0187 16 :ELVDQLNENDTVLFLLSGGGSSL 1xxbA 110 :RLLDSLGKAEGILGTIAGDDTIF Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.37161 Ang D5.OD1 and L16.CD2 other bump:2.84794 Ang D5.CG and L16.CD2 other bump:2.53329 Ang G1.O and L16.CD1 other bump:2.53977 Ang D5.OD1 and L16.CD1 other bump:2.4669 Ang V4.CB and L16.CD1 other bump:2.51166 Ang V4.CG1 and L16.CD1 neighbor-bump: 1.87991 Ang D11.O and T12.OG1 neighbor-bump: 2.66138 Ang D11.C and T12.OG1 other bump:1.66536 Ang N8.O and D11.OD2 other bump:2.70555 Ang N8.C and D11.OD2 other bump:2.58659 Ang L7.CA and D11.OD1 other bump:2.29795 Ang L7.CB and D11.OD1 other bump:2.80026 Ang L7.C and D11.OD1 other bump:2.15356 Ang L7.CD2 and D11.OD1 neighbor-bump: 2.40366 Ang L7.O and N8.CG Number of specific fragments= 1 total=418 Number of alignments=80 # Reading fragments from alignment file # T0187 read from 1xxbA-T0187-vit-adpstyle5.pw.a2m.gz # 1xxbA read from 1xxbA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1xxbA in template set T0187 13 :RVLELVDQLNENDTVLFLLSGGG 1xxbA 107 :LIARLLDSLGKAEGILGTIAGDD Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.23114 Ang L4.CD1 and S21.OG other bump:2.61323 Ang L4.CG and S21.CB other bump:1.21726 Ang L4.CD1 and S21.CB other bump:2.1313 Ang L4.CD1 and S21.CA other bump:2.68885 Ang L4.CD1 and S21.N other bump:2.37161 Ang D8.OD1 and L19.CD2 other bump:2.84794 Ang D8.CG and L19.CD2 other bump:2.53329 Ang L4.O and L19.CD1 other bump:2.53977 Ang D8.OD1 and L19.CD1 other bump:2.4669 Ang V7.CB and L19.CD1 other bump:2.51166 Ang V7.CG1 and L19.CD1 neighbor-bump: 1.87991 Ang D14.O and T15.OG1 neighbor-bump: 2.66138 Ang D14.C and T15.OG1 other bump:1.66536 Ang N11.O and D14.OD2 other bump:2.70555 Ang N11.C and D14.OD2 other bump:2.58659 Ang L10.CA and D14.OD1 other bump:2.29795 Ang L10.CB and D14.OD1 other bump:2.80026 Ang L10.C and D14.OD1 other bump:2.15356 Ang L10.CD2 and D14.OD1 neighbor-bump: 2.40366 Ang L10.O and N11.CG T0187 37 :SLFELPLEGVSLEEI 1xxbA 130 :TIFTTPANGFTVKDL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:3.07111 Ang P7.CG and L13.CD2 other bump:2.85436 Ang P7.CD and L13.CD2 other bump:2.98724 Ang P7.CB and V11.CG1 other bump:2.95144 Ang L8.N and V11.CG1 other bump:2.19077 Ang L8.O and V11.CG1 Number of specific fragments= 2 total=420 Number of alignments=81 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1xxbA read from T0187-1xxbA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1xxbA in template set T0187 5 :EN 1xxbA 83 :KN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSG 1xxbA 101 :SPGAAQLIARLLDSLGKAEGILGTIAG Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.78733 Ang R7.NH1 and G28.C other bump:2.75741 Ang R7.CZ and G28.O other bump:3.10913 Ang R7.NH2 and G28.CA other bump:3.04822 Ang R7.CZ and G28.CA other bump:2.3411 Ang R7.NH1 and G28.CA other bump:3.0089 Ang R7.CZ and G28.N other bump:1.80828 Ang R7.NH1 and G28.N other bump:2.39622 Ang R7.CZ and S27.C other bump:1.2044 Ang R7.NH1 and S27.C other bump:2.13446 Ang R7.NH2 and S27.O other bump:1.68245 Ang R7.CZ and S27.O other bump:1.23448 Ang R7.NH1 and S27.O other bump:2.24885 Ang R7.CD and S27.OG other bump:2.71058 Ang R7.NH1 and S27.OG other bump:2.23114 Ang L10.CD1 and S27.OG other bump:3.23338 Ang T6.C and S27.CB other bump:2.61323 Ang L10.CG and S27.CB other bump:1.21726 Ang L10.CD1 and S27.CB other bump:2.40387 Ang R7.NH1 and S27.CA other bump:2.1313 Ang L10.CD1 and S27.CA other bump:2.68885 Ang L10.CD1 and S27.N other bump:2.84794 Ang D14.CG and L25.CD2 other bump:2.37161 Ang D14.OD1 and L25.CD2 other bump:2.4669 Ang V13.CB and L25.CD1 other bump:2.51166 Ang V13.CG1 and L25.CD1 other bump:2.53329 Ang L10.O and L25.CD1 other bump:2.53977 Ang D14.OD1 and L25.CD1 neighbor-bump: 1.87991 Ang D20.O and T21.OG1 neighbor-bump: 2.66138 Ang D20.C and T21.OG1 other bump:1.66536 Ang N17.O and D20.OD2 other bump:2.70555 Ang N17.C and D20.OD2 other bump:2.58659 Ang L16.CA and D20.OD1 other bump:2.29795 Ang L16.CB and D20.OD1 other bump:2.80026 Ang L16.C and D20.OD1 other bump:2.15356 Ang L16.CD2 and D20.OD1 neighbor-bump: 2.40366 Ang L16.O and N17.CG other bump:2.39953 Ang T6.O and L10.CG neighbor-bump: 2.94397 Ang I3.CG2 and K4.CA neighbor-bump: 2.45823 Ang I3.CB and K4.N neighbor-bump: 1.82166 Ang I3.CG2 and K4.N self-bump: 2.34201 Ang I3.CG2 and I3.C self-bump: 1.35861 Ang I3.CA and I3.CB T0187 35 :GSSLFELPLEGVSLEEIQKLTSAL 1xxbA 128 :DDTIFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.54479 Ang P9.N and I18.CD1 other bump:1.85068 Ang P9.CG and I18.CD1 other bump:2.77248 Ang P9.CD and I18.CD1 other bump:2.01795 Ang P9.CA and I18.CD1 other bump:1.73648 Ang P9.CB and I18.CD1 other bump:3.02936 Ang P9.CB and I18.CG1 other bump:2.9032 Ang V13.CG2 and I18.CG1 other bump:3.07111 Ang P9.CG and L15.CD2 other bump:2.85436 Ang P9.CD and L15.CD2 other bump:2.98724 Ang P9.CB and V13.CG1 other bump:2.95144 Ang L10.N and V13.CG1 other bump:2.19077 Ang L10.O and V13.CG1 Number of specific fragments= 3 total=423 Number of alignments=82 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1xxbA read from T0187-1xxbA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1xxbA in template set T0187 5 :EN 1xxbA 83 :KN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 17 :LVDQLNENDTVLFLLSGGGSSL 1xxbA 85 :LVLDIDYNDAVVVIHTSPGAAQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.00528 Ang L6.CD2 and L15.CD2 other bump:2.37934 Ang V12.CG2 and F14.CE1 neighbor-bump: 2.4484 Ang E8.CG and N9.N self-bump: 1.3048 Ang D4.CA and D4.CB T0187 54 :LTSALLKS 1xxbA 107 :LIARLLDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 87 :VFPA 1xxbA 115 :LGKA Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:3.29208 Ang F3.CE2 and A5.C other bump:2.40329 Ang F3.CE2 and A5.CB other bump:2.96279 Ang F3.CD2 and A5.CB other bump:3.10834 Ang F3.CE2 and A5.CA neighbor-bump: 2.34117 Ang V2.C and F3.CD1 neighbor-bump: 1.57459 Ang V2.O and F3.CD1 neighbor-bump: 2.78586 Ang V2.C and F3.CG neighbor-bump: 2.09265 Ang V2.O and F3.CG neighbor-bump: 2.63112 Ang V2.C and F3.CB neighbor-bump: 2.1628 Ang V2.O and F3.CB self-bump: 1.38225 Ang V2.CA and V2.CB T0187 91 :K 1xxbA 120 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 96 :VLSDVLGDRLDVI 1xxbA 121 :ILGTIAGDDTIFT Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.17186 Ang D5.OD2 and I14.CD1 other bump:2.25964 Ang D5.OD1 and I14.CG1 other bump:2.54507 Ang D5.CG and I14.CG1 other bump:2.21467 Ang D5.OD2 and I14.CG1 other bump:1.85396 Ang D5.OD1 and I14.CB other bump:2.67565 Ang D5.CG and I14.CB other bump:1.69827 Ang D5.OD1 and I14.CA other bump:2.93765 Ang D5.CG and I14.CA other bump:2.53704 Ang L7.CD2 and D12.OD2 other bump:2.75876 Ang L7.CB and D12.OD1 other bump:0.74546 Ang L7.CD2 and D12.OD1 other bump:2.13178 Ang L7.CG and D12.OD1 other bump:1.69302 Ang L7.CD2 and D12.CG other bump:2.73977 Ang L7.CD2 and D12.CB neighbor-bump: 2.25814 Ang R10.O and L11.CD1 T0187 113 :AWPDSSTSEDALKVLEKY 1xxbA 134 :TPANGFTVKDLYEAILEL Fragment has 47 clashes (null) has 47 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.46413 Ang W3.CZ2 and L13.N other bump:2.97132 Ang W3.CE2 and A12.C other bump:1.81104 Ang W3.CZ2 and A12.C other bump:2.27608 Ang W3.CH2 and A12.C other bump:2.81822 Ang W3.CZ2 and A12.O other bump:2.72977 Ang W3.CH2 and A12.O other bump:1.18342 Ang W3.CE2 and A12.CB other bump:2.20108 Ang W3.NE1 and A12.CB other bump:1.48661 Ang W3.CZ2 and A12.CB other bump:2.09142 Ang W3.CH2 and A12.CB other bump:2.78551 Ang W3.CG and A12.CB other bump:2.93383 Ang W3.CD1 and A12.CB other bump:1.75098 Ang W3.CD2 and A12.CB other bump:2.32612 Ang W3.CE3 and A12.CB other bump:2.44447 Ang W3.CZ3 and A12.CB other bump:1.76963 Ang W3.CE2 and A12.CA other bump:2.91887 Ang W3.NE1 and A12.CA other bump:0.483223 Ang W3.CZ2 and A12.CA other bump:1.08623 Ang W3.CH2 and A12.CA other bump:2.69387 Ang W3.CD2 and A12.CA other bump:2.87837 Ang W3.CE3 and A12.CA other bump:2.2709 Ang W3.CZ3 and A12.CA other bump:1.84008 Ang W3.CE2 and A12.N other bump:2.66386 Ang W3.NE1 and A12.N other bump:1.10414 Ang W3.CZ2 and A12.N other bump:1.97643 Ang W3.CH2 and A12.N other bump:2.91554 Ang W3.CD2 and A12.N other bump:2.98374 Ang W3.CZ3 and A12.N other bump:3.16739 Ang W3.CE2 and D11.C other bump:2.27588 Ang W3.CZ2 and D11.C other bump:2.70602 Ang W3.CH2 and D11.C other bump:2.8604 Ang W3.CZ2 and D11.O other bump:2.85104 Ang W3.CH2 and D11.O other bump:2.38694 Ang W3.NE1 and S9.C other bump:3.01682 Ang W3.CD1 and S9.C other bump:2.46758 Ang W3.NE1 and S9.O other bump:2.35999 Ang W3.NE1 and S9.CA other bump:2.20363 Ang W3.CD1 and S9.CA other bump:2.84095 Ang W3.NE1 and S9.N other bump:2.3633 Ang W3.CD1 and S9.N other bump:2.57576 Ang W3.NE1 and T8.C other bump:3.01625 Ang W3.CG and T8.C other bump:2.23615 Ang W3.CD1 and T8.C other bump:2.33931 Ang W3.CE2 and T8.O other bump:1.76406 Ang W3.NE1 and T8.O other bump:2.585 Ang W3.CG and T8.O other bump:1.95806 Ang W3.CD1 and T8.O Number of specific fragments= 7 total=430 Number of alignments=83 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1xxbA read from T0187-1xxbA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1xxbA in template set T0187 11 :TRRVLELVDQLNENDTVLFLLSG 1xxbA 105 :AQLIARLLDSLGKAEGILGTIAG Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.78733 Ang R3.NH1 and G24.C other bump:2.7574 Ang R3.CZ and G24.O other bump:3.04822 Ang R3.CZ and G24.CA other bump:2.3411 Ang R3.NH1 and G24.CA other bump:3.10914 Ang R3.NH2 and G24.CA other bump:3.0089 Ang R3.CZ and G24.N other bump:1.80828 Ang R3.NH1 and G24.N other bump:2.39622 Ang R3.CZ and S23.C other bump:1.2044 Ang R3.NH1 and S23.C other bump:1.68245 Ang R3.CZ and S23.O other bump:1.23448 Ang R3.NH1 and S23.O other bump:2.13447 Ang R3.NH2 and S23.O other bump:2.71059 Ang R3.NH1 and S23.OG other bump:2.23114 Ang L6.CD1 and S23.OG other bump:2.24885 Ang R3.CD and S23.OG other bump:2.56369 Ang T2.CG2 and S23.CB other bump:3.23338 Ang T2.C and S23.CB other bump:2.61323 Ang L6.CG and S23.CB other bump:1.21726 Ang L6.CD1 and S23.CB other bump:2.40388 Ang R3.NH1 and S23.CA other bump:2.1313 Ang L6.CD1 and S23.CA other bump:2.68885 Ang L6.CD1 and S23.N other bump:2.37161 Ang D10.OD1 and L21.CD2 other bump:2.84794 Ang D10.CG and L21.CD2 other bump:2.53329 Ang L6.O and L21.CD1 other bump:2.53977 Ang D10.OD1 and L21.CD1 other bump:2.4669 Ang V9.CB and L21.CD1 other bump:2.51166 Ang V9.CG1 and L21.CD1 neighbor-bump: 1.87991 Ang D16.O and T17.OG1 neighbor-bump: 2.66138 Ang D16.C and T17.OG1 other bump:1.66536 Ang N13.O and D16.OD2 other bump:2.70555 Ang N13.C and D16.OD2 other bump:2.58659 Ang L12.CA and D16.OD1 other bump:2.29795 Ang L12.CB and D16.OD1 other bump:2.80026 Ang L12.C and D16.OD1 other bump:2.15356 Ang L12.CD2 and D16.OD1 neighbor-bump: 2.40366 Ang L12.O and N13.CG other bump:2.39953 Ang T2.O and L6.CG T0187 35 :GSSLFELPLEGVSLEEIQKLTSAL 1xxbA 128 :DDTIFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.54479 Ang P9.N and I18.CD1 other bump:1.85068 Ang P9.CG and I18.CD1 other bump:2.77248 Ang P9.CD and I18.CD1 other bump:2.01795 Ang P9.CA and I18.CD1 other bump:1.73648 Ang P9.CB and I18.CD1 other bump:3.02936 Ang P9.CB and I18.CG1 other bump:2.9032 Ang V13.CG2 and I18.CG1 other bump:3.07111 Ang P9.CG and L15.CD2 other bump:2.85436 Ang P9.CD and L15.CD2 other bump:2.98724 Ang P9.CB and V13.CG1 other bump:2.95144 Ang L10.N and V13.CG1 other bump:2.19077 Ang L10.O and V13.CG1 Number of specific fragments= 2 total=432 Number of alignments=84 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1xxbA read from T0187-1xxbA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1xxbA in template set T0187 11 :TRRVLELVDQLNENDTVLFLLSGG 1xxbA 105 :AQLIARLLDSLGKAEGILGTIAGD Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.13963 Ang T2.OG1 and G26.CA other bump:2.56567 Ang T2.OG1 and G26.N other bump:2.72753 Ang T2.OG1 and G25.C other bump:3.21342 Ang T2.CB and G25.C other bump:2.78733 Ang R3.NH1 and G24.C other bump:2.7574 Ang R3.CZ and G24.O other bump:3.04822 Ang R3.CZ and G24.CA other bump:2.3411 Ang R3.NH1 and G24.CA other bump:3.10914 Ang R3.NH2 and G24.CA other bump:3.0089 Ang R3.CZ and G24.N other bump:1.80828 Ang R3.NH1 and G24.N other bump:2.39622 Ang R3.CZ and S23.C other bump:1.2044 Ang R3.NH1 and S23.C other bump:1.68245 Ang R3.CZ and S23.O other bump:1.23448 Ang R3.NH1 and S23.O other bump:2.13447 Ang R3.NH2 and S23.O other bump:2.71059 Ang R3.NH1 and S23.OG other bump:2.23114 Ang L6.CD1 and S23.OG other bump:2.24885 Ang R3.CD and S23.OG other bump:2.56369 Ang T2.CG2 and S23.CB other bump:3.23338 Ang T2.C and S23.CB other bump:2.61323 Ang L6.CG and S23.CB other bump:1.21726 Ang L6.CD1 and S23.CB other bump:2.40388 Ang R3.NH1 and S23.CA other bump:2.1313 Ang L6.CD1 and S23.CA other bump:2.68885 Ang L6.CD1 and S23.N other bump:2.37161 Ang D10.OD1 and L21.CD2 other bump:2.84794 Ang D10.CG and L21.CD2 other bump:2.53329 Ang L6.O and L21.CD1 other bump:2.53977 Ang D10.OD1 and L21.CD1 other bump:2.4669 Ang V9.CB and L21.CD1 other bump:2.51166 Ang V9.CG1 and L21.CD1 neighbor-bump: 1.87991 Ang D16.O and T17.OG1 neighbor-bump: 2.66138 Ang D16.C and T17.OG1 other bump:1.66536 Ang N13.O and D16.OD2 other bump:2.70555 Ang N13.C and D16.OD2 other bump:2.58659 Ang L12.CA and D16.OD1 other bump:2.29795 Ang L12.CB and D16.OD1 other bump:2.80026 Ang L12.C and D16.OD1 other bump:2.15356 Ang L12.CD2 and D16.OD1 neighbor-bump: 2.40366 Ang L12.O and N13.CG other bump:2.39953 Ang T2.O and L6.CG T0187 36 :SSLFELPLEGVSLEEIQKLTSAL 1xxbA 129 :DTIFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.54479 Ang P8.N and I17.CD1 other bump:1.85068 Ang P8.CG and I17.CD1 other bump:2.77248 Ang P8.CD and I17.CD1 other bump:2.01795 Ang P8.CA and I17.CD1 other bump:1.73648 Ang P8.CB and I17.CD1 other bump:3.02936 Ang P8.CB and I17.CG1 other bump:2.9032 Ang V12.CG2 and I17.CG1 other bump:3.07111 Ang P8.CG and L14.CD2 other bump:2.85436 Ang P8.CD and L14.CD2 other bump:2.98724 Ang P8.CB and V12.CG1 other bump:2.95144 Ang L9.N and V12.CG1 other bump:2.19077 Ang L9.O and V12.CG1 Number of specific fragments= 2 total=434 Number of alignments=85 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1xxbA read from T0187-1xxbA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1xxbA in template set T0187 5 :EN 1xxbA 83 :KN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLS 1xxbA 101 :SPGAAQLIARLLDSLGKAEGILGTIA Fragment has 40 clashes (null) has 40 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.10913 Ang R7.NH2 and G28.CA other bump:3.04822 Ang R7.CZ and G28.CA other bump:2.3411 Ang R7.NH1 and G28.CA other bump:3.0089 Ang R7.CZ and G28.N other bump:1.80828 Ang R7.NH1 and G28.N other bump:2.39622 Ang R7.CZ and S27.C other bump:1.2044 Ang R7.NH1 and S27.C other bump:2.13446 Ang R7.NH2 and S27.O other bump:1.68245 Ang R7.CZ and S27.O other bump:1.23448 Ang R7.NH1 and S27.O other bump:1.84041 Ang L10.CG and S27.OG other bump:1.07364 Ang L10.CD1 and S27.OG other bump:2.06851 Ang L10.CB and S27.OG other bump:3.15499 Ang R7.CD and S27.CB other bump:2.82095 Ang L10.CG and S27.CB other bump:1.44722 Ang L10.CD1 and S27.CB other bump:2.40387 Ang R7.NH1 and S27.CA other bump:2.1313 Ang L10.CD1 and S27.CA other bump:2.68885 Ang L10.CD1 and S27.N other bump:2.84794 Ang D14.CG and L25.CD2 other bump:2.37161 Ang D14.OD1 and L25.CD2 other bump:2.4669 Ang V13.CB and L25.CD1 other bump:2.51166 Ang V13.CG1 and L25.CD1 other bump:2.53329 Ang L10.O and L25.CD1 other bump:2.53977 Ang D14.OD1 and L25.CD1 neighbor-bump: 1.87991 Ang D20.O and T21.OG1 neighbor-bump: 2.66138 Ang D20.C and T21.OG1 other bump:1.66536 Ang N17.O and D20.OD2 other bump:2.70555 Ang N17.C and D20.OD2 other bump:2.58659 Ang L16.CA and D20.OD1 other bump:2.29795 Ang L16.CB and D20.OD1 other bump:2.80026 Ang L16.C and D20.OD1 other bump:2.15356 Ang L16.CD2 and D20.OD1 neighbor-bump: 2.40366 Ang L16.O and N17.CG other bump:2.39953 Ang T6.O and L10.CG neighbor-bump: 2.94397 Ang I3.CG2 and K4.CA neighbor-bump: 2.45823 Ang I3.CB and K4.N neighbor-bump: 1.82166 Ang I3.CG2 and K4.N self-bump: 2.34201 Ang I3.CG2 and I3.C self-bump: 1.35861 Ang I3.CA and I3.CB T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxbA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.54479 Ang P10.N and I19.CD1 other bump:1.85068 Ang P10.CG and I19.CD1 other bump:2.77248 Ang P10.CD and I19.CD1 other bump:2.01795 Ang P10.CA and I19.CD1 other bump:1.73648 Ang P10.CB and I19.CD1 other bump:3.02936 Ang P10.CB and I19.CG1 other bump:2.9032 Ang V14.CG2 and I19.CG1 other bump:3.07111 Ang P10.CG and L16.CD2 other bump:2.85436 Ang P10.CD and L16.CD2 other bump:2.98724 Ang P10.CB and V14.CG1 other bump:2.95144 Ang L11.N and V14.CG1 other bump:2.19077 Ang L11.O and V14.CG1 Number of specific fragments= 3 total=437 Number of alignments=86 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1xxbA read from T0187-1xxbA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1xxbA in template set T0187 5 :EN 1xxbA 83 :KN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 10 :TTRRVLELVDQLNENDTVLFLLSGG 1xxbA 104 :AAQLIARLLDSLGKAEGILGTIAGD Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.29666 Ang T3.CG2 and G27.CA other bump:2.90142 Ang T3.CG2 and G27.N other bump:3.21801 Ang T3.CG2 and G26.C other bump:2.47068 Ang T3.OG1 and G26.C other bump:2.24525 Ang T3.OG1 and G26.O other bump:2.78733 Ang R4.NH1 and G25.C other bump:2.75741 Ang R4.CZ and G25.O other bump:3.04822 Ang R4.CZ and G25.CA other bump:2.3411 Ang R4.NH1 and G25.CA other bump:3.10913 Ang R4.NH2 and G25.CA other bump:3.0089 Ang R4.CZ and G25.N other bump:1.80828 Ang R4.NH1 and G25.N other bump:2.39622 Ang R4.CZ and S24.C other bump:1.2044 Ang R4.NH1 and S24.C other bump:1.68245 Ang R4.CZ and S24.O other bump:1.23448 Ang R4.NH1 and S24.O other bump:2.13446 Ang R4.NH2 and S24.O other bump:2.71058 Ang R4.NH1 and S24.OG other bump:2.23114 Ang L7.CD1 and S24.OG other bump:2.24885 Ang R4.CD and S24.OG other bump:3.23338 Ang T3.C and S24.CB other bump:2.61323 Ang L7.CG and S24.CB other bump:1.21726 Ang L7.CD1 and S24.CB other bump:2.40387 Ang R4.NH1 and S24.CA other bump:2.1313 Ang L7.CD1 and S24.CA other bump:2.68885 Ang L7.CD1 and S24.N other bump:2.37161 Ang D11.OD1 and L22.CD2 other bump:2.84794 Ang D11.CG and L22.CD2 other bump:2.53329 Ang L7.O and L22.CD1 other bump:2.53977 Ang D11.OD1 and L22.CD1 other bump:2.4669 Ang V10.CB and L22.CD1 other bump:2.51166 Ang V10.CG1 and L22.CD1 neighbor-bump: 1.87991 Ang D17.O and T18.OG1 neighbor-bump: 2.66138 Ang D17.C and T18.OG1 other bump:1.66536 Ang N14.O and D17.OD2 other bump:2.70555 Ang N14.C and D17.OD2 other bump:2.58659 Ang L13.CA and D17.OD1 other bump:2.29795 Ang L13.CB and D17.OD1 other bump:2.80026 Ang L13.C and D17.OD1 other bump:2.15356 Ang L13.CD2 and D17.OD1 neighbor-bump: 2.40366 Ang L13.O and N14.CG other bump:2.39953 Ang T3.O and L7.CG T0187 36 :SSLFELPLEGVSLEEIQKLTSAL 1xxbA 129 :DTIFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.54479 Ang P8.N and I17.CD1 other bump:1.85068 Ang P8.CG and I17.CD1 other bump:2.77248 Ang P8.CD and I17.CD1 other bump:2.01795 Ang P8.CA and I17.CD1 other bump:1.73648 Ang P8.CB and I17.CD1 other bump:3.02936 Ang P8.CB and I17.CG1 other bump:2.9032 Ang V12.CG2 and I17.CG1 other bump:3.07111 Ang P8.CG and L14.CD2 other bump:2.85436 Ang P8.CD and L14.CD2 other bump:2.98724 Ang P8.CB and V12.CG1 other bump:2.95144 Ang L9.N and V12.CG1 other bump:2.19077 Ang L9.O and V12.CG1 Number of specific fragments= 3 total=440 Number of alignments=87 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1xxbA read from T0187-1xxbA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1xxbA in template set T0187 10 :TTRRVLELVDQLNENDTVLFLLS 1xxbA 104 :AAQLIARLLDSLGKAEGILGTIA Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:3.04822 Ang R4.CZ and G25.CA other bump:2.3411 Ang R4.NH1 and G25.CA other bump:3.10913 Ang R4.NH2 and G25.CA other bump:3.0089 Ang R4.CZ and G25.N other bump:1.80828 Ang R4.NH1 and G25.N other bump:2.39622 Ang R4.CZ and S24.C other bump:1.2044 Ang R4.NH1 and S24.C other bump:1.68245 Ang R4.CZ and S24.O other bump:1.23448 Ang R4.NH1 and S24.O other bump:2.13446 Ang R4.NH2 and S24.O other bump:1.84041 Ang L7.CG and S24.OG other bump:1.07364 Ang L7.CD1 and S24.OG other bump:2.06851 Ang L7.CB and S24.OG other bump:3.15499 Ang R4.CD and S24.CB other bump:2.82095 Ang L7.CG and S24.CB other bump:1.44722 Ang L7.CD1 and S24.CB other bump:2.40387 Ang R4.NH1 and S24.CA other bump:2.1313 Ang L7.CD1 and S24.CA other bump:2.68885 Ang L7.CD1 and S24.N other bump:2.37161 Ang D11.OD1 and L22.CD2 other bump:2.84794 Ang D11.CG and L22.CD2 other bump:2.53329 Ang L7.O and L22.CD1 other bump:2.53977 Ang D11.OD1 and L22.CD1 other bump:2.4669 Ang V10.CB and L22.CD1 other bump:2.51166 Ang V10.CG1 and L22.CD1 neighbor-bump: 1.87991 Ang D17.O and T18.OG1 neighbor-bump: 2.66138 Ang D17.C and T18.OG1 other bump:1.66536 Ang N14.O and D17.OD2 other bump:2.70555 Ang N14.C and D17.OD2 other bump:2.58659 Ang L13.CA and D17.OD1 other bump:2.29795 Ang L13.CB and D17.OD1 other bump:2.80026 Ang L13.C and D17.OD1 other bump:2.15356 Ang L13.CD2 and D17.OD1 neighbor-bump: 2.40366 Ang L13.O and N14.CG other bump:2.39953 Ang T3.O and L7.CG T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxbA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.54479 Ang P10.N and I19.CD1 other bump:1.85068 Ang P10.CG and I19.CD1 other bump:2.77248 Ang P10.CD and I19.CD1 other bump:2.01795 Ang P10.CA and I19.CD1 other bump:1.73648 Ang P10.CB and I19.CD1 other bump:3.02936 Ang P10.CB and I19.CG1 other bump:2.9032 Ang V14.CG2 and I19.CG1 other bump:3.07111 Ang P10.CG and L16.CD2 other bump:2.85436 Ang P10.CD and L16.CD2 other bump:2.98724 Ang P10.CB and V14.CG1 other bump:2.95144 Ang L11.N and V14.CG1 other bump:2.19077 Ang L11.O and V14.CG1 Number of specific fragments= 2 total=442 Number of alignments=88 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1xxbA read from T0187-1xxbA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1xxbA in template set T0187 10 :TTRRVLELVDQLNENDTVLFLLSGG 1xxbA 104 :AAQLIARLLDSLGKAEGILGTIAGD Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.29666 Ang T3.CG2 and G27.CA other bump:2.90142 Ang T3.CG2 and G27.N other bump:3.21801 Ang T3.CG2 and G26.C other bump:2.47068 Ang T3.OG1 and G26.C other bump:2.24525 Ang T3.OG1 and G26.O other bump:2.78733 Ang R4.NH1 and G25.C other bump:2.75741 Ang R4.CZ and G25.O other bump:3.04822 Ang R4.CZ and G25.CA other bump:2.3411 Ang R4.NH1 and G25.CA other bump:3.10913 Ang R4.NH2 and G25.CA other bump:3.0089 Ang R4.CZ and G25.N other bump:1.80828 Ang R4.NH1 and G25.N other bump:2.39622 Ang R4.CZ and S24.C other bump:1.2044 Ang R4.NH1 and S24.C other bump:1.68245 Ang R4.CZ and S24.O other bump:1.23448 Ang R4.NH1 and S24.O other bump:2.13446 Ang R4.NH2 and S24.O other bump:2.71058 Ang R4.NH1 and S24.OG other bump:2.23114 Ang L7.CD1 and S24.OG other bump:2.24885 Ang R4.CD and S24.OG other bump:3.23338 Ang T3.C and S24.CB other bump:2.61323 Ang L7.CG and S24.CB other bump:1.21726 Ang L7.CD1 and S24.CB other bump:2.40387 Ang R4.NH1 and S24.CA other bump:2.1313 Ang L7.CD1 and S24.CA other bump:2.68885 Ang L7.CD1 and S24.N other bump:2.37161 Ang D11.OD1 and L22.CD2 other bump:2.84794 Ang D11.CG and L22.CD2 other bump:2.53329 Ang L7.O and L22.CD1 other bump:2.53977 Ang D11.OD1 and L22.CD1 other bump:2.4669 Ang V10.CB and L22.CD1 other bump:2.51166 Ang V10.CG1 and L22.CD1 neighbor-bump: 1.87991 Ang D17.O and T18.OG1 neighbor-bump: 2.66138 Ang D17.C and T18.OG1 other bump:1.66536 Ang N14.O and D17.OD2 other bump:2.70555 Ang N14.C and D17.OD2 other bump:2.58659 Ang L13.CA and D17.OD1 other bump:2.29795 Ang L13.CB and D17.OD1 other bump:2.80026 Ang L13.C and D17.OD1 other bump:2.15356 Ang L13.CD2 and D17.OD1 neighbor-bump: 2.40366 Ang L13.O and N14.CG other bump:2.39953 Ang T3.O and L7.CG T0187 36 :SSLFELPLEGVSLEEIQKLTSAL 1xxbA 129 :DTIFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.54479 Ang P8.N and I17.CD1 other bump:1.85068 Ang P8.CG and I17.CD1 other bump:2.77248 Ang P8.CD and I17.CD1 other bump:2.01795 Ang P8.CA and I17.CD1 other bump:1.73648 Ang P8.CB and I17.CD1 other bump:3.02936 Ang P8.CB and I17.CG1 other bump:2.9032 Ang V12.CG2 and I17.CG1 other bump:3.07111 Ang P8.CG and L14.CD2 other bump:2.85436 Ang P8.CD and L14.CD2 other bump:2.98724 Ang P8.CB and V12.CG1 other bump:2.95144 Ang L9.N and V12.CG1 other bump:2.19077 Ang L9.O and V12.CG1 Number of specific fragments= 2 total=444 Number of alignments=89 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1xxbA read from T0187-1xxbA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1xxbA in template set T0187 5 :EN 1xxbA 83 :KN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSGGGS 1xxbA 101 :SPGAAQLIARLLDSLGKAEGILGTIAGDDT Fragment has 49 clashes (null) has 49 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.59871 Ang T6.CG2 and S31.N other bump:2.42277 Ang T6.CG2 and G30.C other bump:2.29666 Ang T6.CG2 and G30.CA other bump:2.90142 Ang T6.CG2 and G30.N other bump:3.21801 Ang T6.CG2 and G29.C other bump:2.47068 Ang T6.OG1 and G29.C other bump:2.24525 Ang T6.OG1 and G29.O other bump:2.78733 Ang R7.NH1 and G28.C other bump:2.75741 Ang R7.CZ and G28.O other bump:3.10913 Ang R7.NH2 and G28.CA other bump:3.04822 Ang R7.CZ and G28.CA other bump:2.3411 Ang R7.NH1 and G28.CA other bump:3.0089 Ang R7.CZ and G28.N other bump:1.80828 Ang R7.NH1 and G28.N other bump:2.39622 Ang R7.CZ and S27.C other bump:1.2044 Ang R7.NH1 and S27.C other bump:2.13446 Ang R7.NH2 and S27.O other bump:1.68245 Ang R7.CZ and S27.O other bump:1.23448 Ang R7.NH1 and S27.O other bump:2.24885 Ang R7.CD and S27.OG other bump:2.71058 Ang R7.NH1 and S27.OG other bump:2.23114 Ang L10.CD1 and S27.OG other bump:3.23338 Ang T6.C and S27.CB other bump:2.61323 Ang L10.CG and S27.CB other bump:1.21726 Ang L10.CD1 and S27.CB other bump:2.40387 Ang R7.NH1 and S27.CA other bump:2.1313 Ang L10.CD1 and S27.CA other bump:2.68885 Ang L10.CD1 and S27.N other bump:2.84794 Ang D14.CG and L25.CD2 other bump:2.37161 Ang D14.OD1 and L25.CD2 other bump:2.4669 Ang V13.CB and L25.CD1 other bump:2.51166 Ang V13.CG1 and L25.CD1 other bump:2.53329 Ang L10.O and L25.CD1 other bump:2.53977 Ang D14.OD1 and L25.CD1 neighbor-bump: 1.87991 Ang D20.O and T21.OG1 neighbor-bump: 2.66138 Ang D20.C and T21.OG1 other bump:1.66536 Ang N17.O and D20.OD2 other bump:2.70555 Ang N17.C and D20.OD2 other bump:2.58659 Ang L16.CA and D20.OD1 other bump:2.29795 Ang L16.CB and D20.OD1 other bump:2.80026 Ang L16.C and D20.OD1 other bump:2.15356 Ang L16.CD2 and D20.OD1 neighbor-bump: 2.40366 Ang L16.O and N17.CG other bump:2.39953 Ang T6.O and L10.CG neighbor-bump: 2.94397 Ang I3.CG2 and K4.CA neighbor-bump: 2.45823 Ang I3.CB and K4.N neighbor-bump: 1.82166 Ang I3.CG2 and K4.N self-bump: 2.34201 Ang I3.CG2 and I3.C self-bump: 1.35861 Ang I3.CA and I3.CB T0187 38 :LFELPLEGVSLEEIQKLTSAL 1xxbA 131 :IFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.54479 Ang P6.N and I15.CD1 other bump:2.01795 Ang P6.CA and I15.CD1 other bump:1.85068 Ang P6.CG and I15.CD1 other bump:2.77248 Ang P6.CD and I15.CD1 other bump:1.73648 Ang P6.CB and I15.CD1 other bump:3.02936 Ang P6.CB and I15.CG1 other bump:2.9032 Ang V10.CG2 and I15.CG1 other bump:3.07111 Ang P6.CG and L12.CD2 other bump:2.85436 Ang P6.CD and L12.CD2 other bump:2.98724 Ang P6.CB and V10.CG1 other bump:2.95144 Ang L7.N and V10.CG1 other bump:2.19077 Ang L7.O and V10.CG1 Number of specific fragments= 3 total=447 Number of alignments=90 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1xxbA read from T0187-1xxbA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1xxbA in template set T0187 5 :EN 1xxbA 83 :KN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 10 :TTRRVLELVDQLNENDTVLFLLSGG 1xxbA 104 :AAQLIARLLDSLGKAEGILGTIAGD Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.29666 Ang T3.CG2 and G27.CA other bump:2.90142 Ang T3.CG2 and G27.N other bump:3.21801 Ang T3.CG2 and G26.C other bump:2.47068 Ang T3.OG1 and G26.C other bump:2.24525 Ang T3.OG1 and G26.O other bump:2.78733 Ang R4.NH1 and G25.C other bump:2.75741 Ang R4.CZ and G25.O other bump:3.04822 Ang R4.CZ and G25.CA other bump:2.3411 Ang R4.NH1 and G25.CA other bump:3.10913 Ang R4.NH2 and G25.CA other bump:3.0089 Ang R4.CZ and G25.N other bump:1.80828 Ang R4.NH1 and G25.N other bump:2.39622 Ang R4.CZ and S24.C other bump:1.2044 Ang R4.NH1 and S24.C other bump:1.68245 Ang R4.CZ and S24.O other bump:1.23448 Ang R4.NH1 and S24.O other bump:2.13446 Ang R4.NH2 and S24.O other bump:2.71058 Ang R4.NH1 and S24.OG other bump:2.23114 Ang L7.CD1 and S24.OG other bump:2.24885 Ang R4.CD and S24.OG other bump:3.23338 Ang T3.C and S24.CB other bump:2.61323 Ang L7.CG and S24.CB other bump:1.21726 Ang L7.CD1 and S24.CB other bump:2.40387 Ang R4.NH1 and S24.CA other bump:2.1313 Ang L7.CD1 and S24.CA other bump:2.68885 Ang L7.CD1 and S24.N other bump:2.37161 Ang D11.OD1 and L22.CD2 other bump:2.84794 Ang D11.CG and L22.CD2 other bump:2.53329 Ang L7.O and L22.CD1 other bump:2.53977 Ang D11.OD1 and L22.CD1 other bump:2.4669 Ang V10.CB and L22.CD1 other bump:2.51166 Ang V10.CG1 and L22.CD1 neighbor-bump: 1.87991 Ang D17.O and T18.OG1 neighbor-bump: 2.66138 Ang D17.C and T18.OG1 other bump:1.66536 Ang N14.O and D17.OD2 other bump:2.70555 Ang N14.C and D17.OD2 other bump:2.58659 Ang L13.CA and D17.OD1 other bump:2.29795 Ang L13.CB and D17.OD1 other bump:2.80026 Ang L13.C and D17.OD1 other bump:2.15356 Ang L13.CD2 and D17.OD1 neighbor-bump: 2.40366 Ang L13.O and N14.CG other bump:2.39953 Ang T3.O and L7.CG T0187 36 :SSLFELPLEGVSLEEIQKLTSAL 1xxbA 129 :DTIFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.54479 Ang P8.N and I17.CD1 other bump:1.85068 Ang P8.CG and I17.CD1 other bump:2.77248 Ang P8.CD and I17.CD1 other bump:2.01795 Ang P8.CA and I17.CD1 other bump:1.73648 Ang P8.CB and I17.CD1 other bump:3.02936 Ang P8.CB and I17.CG1 other bump:2.9032 Ang V12.CG2 and I17.CG1 other bump:3.07111 Ang P8.CG and L14.CD2 other bump:2.85436 Ang P8.CD and L14.CD2 other bump:2.98724 Ang P8.CB and V12.CG1 other bump:2.95144 Ang L9.N and V12.CG1 other bump:2.19077 Ang L9.O and V12.CG1 Number of specific fragments= 3 total=450 Number of alignments=91 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1xxbA read from T0187-1xxbA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1xxbA in template set T0187 37 :SLFELP 1xxbA 83 :KNLVLD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.49652 Ang L6.CB and P7.CD T0187 46 :VS 1xxbA 89 :ID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 61 :SGA 1xxbA 102 :PGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 65 :IEEINTVRKHLSQVKG 1xxbA 105 :AQLIARLLDSLGKAEG Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:1.8248 Ang L12.CA and K16.NZ other bump:2.57223 Ang L12.CB and K16.NZ other bump:2.54575 Ang L12.C and K16.NZ other bump:2.12114 Ang L12.CD2 and K16.NZ other bump:3.01511 Ang L12.CG and K16.CE other bump:1.78614 Ang L12.CD2 and K16.CE neighbor-bump: 2.58151 Ang L12.C and S13.CB neighbor-bump: 2.10898 Ang L12.O and S13.CB other bump:2.58387 Ang V8.O and H11.CB other bump:2.68709 Ang T7.CA and K10.NZ other bump:1.99009 Ang E3.O and T7.OG1 other bump:3.04102 Ang I2.CG2 and N6.ND2 T0187 102 :GDR 1xxbA 127 :GDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 115 :PDSSTSEDALKVLEKY 1xxbA 136 :ANGFTVKDLYEAILEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues Number of specific fragments= 6 total=456 Number of alignments=92 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1xxbA read from T0187-1xxbA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1xxbA in template set T0187 37 :SLFELP 1xxbA 83 :KNLVLD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.49652 Ang L6.CB and P7.CD T0187 46 :VS 1xxbA 89 :ID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 61 :SGA 1xxbA 102 :PGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 65 :IEEINTVRKHLSQVKG 1xxbA 105 :AQLIARLLDSLGKAEG Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:1.8248 Ang L12.CA and K16.NZ other bump:2.57223 Ang L12.CB and K16.NZ other bump:2.54575 Ang L12.C and K16.NZ other bump:2.12114 Ang L12.CD2 and K16.NZ other bump:3.01511 Ang L12.CG and K16.CE other bump:1.78614 Ang L12.CD2 and K16.CE neighbor-bump: 2.58151 Ang L12.C and S13.CB neighbor-bump: 2.10898 Ang L12.O and S13.CB other bump:2.58387 Ang V8.O and H11.CB other bump:2.68709 Ang T7.CA and K10.NZ other bump:1.99009 Ang E3.O and T7.OG1 other bump:3.04102 Ang I2.CG2 and N6.ND2 T0187 102 :GDR 1xxbA 127 :GDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 115 :PDSSTSEDALKVLEKY 1xxbA 136 :ANGFTVKDLYEAILEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues Number of specific fragments= 6 total=462 Number of alignments=93 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1xxbA read from T0187-1xxbA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1xxbA in template set T0187 11 :TRRVLELVDQLNENDTVLFLLSGGGS 1xxbA 105 :AQLIARLLDSLGKAEGILGTIAGDDT Fragment has 44 clashes (null) has 44 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.23826 Ang T2.CG2 and S27.C other bump:2.59267 Ang T2.OG1 and G26.C other bump:2.13963 Ang T2.OG1 and G26.CA other bump:2.56567 Ang T2.OG1 and G26.N other bump:2.72753 Ang T2.OG1 and G25.C other bump:3.21342 Ang T2.CB and G25.C other bump:2.78733 Ang R3.NH1 and G24.C other bump:2.7574 Ang R3.CZ and G24.O other bump:3.04822 Ang R3.CZ and G24.CA other bump:2.3411 Ang R3.NH1 and G24.CA other bump:3.10914 Ang R3.NH2 and G24.CA other bump:3.0089 Ang R3.CZ and G24.N other bump:1.80828 Ang R3.NH1 and G24.N other bump:2.39622 Ang R3.CZ and S23.C other bump:1.2044 Ang R3.NH1 and S23.C other bump:1.68245 Ang R3.CZ and S23.O other bump:1.23448 Ang R3.NH1 and S23.O other bump:2.13447 Ang R3.NH2 and S23.O other bump:2.71059 Ang R3.NH1 and S23.OG other bump:2.23114 Ang L6.CD1 and S23.OG other bump:2.24885 Ang R3.CD and S23.OG other bump:2.56369 Ang T2.CG2 and S23.CB other bump:3.23338 Ang T2.C and S23.CB other bump:2.61323 Ang L6.CG and S23.CB other bump:1.21726 Ang L6.CD1 and S23.CB other bump:2.40388 Ang R3.NH1 and S23.CA other bump:2.1313 Ang L6.CD1 and S23.CA other bump:2.68885 Ang L6.CD1 and S23.N other bump:2.37161 Ang D10.OD1 and L21.CD2 other bump:2.84794 Ang D10.CG and L21.CD2 other bump:2.53329 Ang L6.O and L21.CD1 other bump:2.53977 Ang D10.OD1 and L21.CD1 other bump:2.4669 Ang V9.CB and L21.CD1 other bump:2.51166 Ang V9.CG1 and L21.CD1 neighbor-bump: 1.87991 Ang D16.O and T17.OG1 neighbor-bump: 2.66138 Ang D16.C and T17.OG1 other bump:1.66536 Ang N13.O and D16.OD2 other bump:2.70555 Ang N13.C and D16.OD2 other bump:2.58659 Ang L12.CA and D16.OD1 other bump:2.29795 Ang L12.CB and D16.OD1 other bump:2.80026 Ang L12.C and D16.OD1 other bump:2.15356 Ang L12.CD2 and D16.OD1 neighbor-bump: 2.40366 Ang L12.O and N13.CG other bump:2.39953 Ang T2.O and L6.CG T0187 38 :LFELPLEGVSLEEIQKLTSAL 1xxbA 131 :IFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.54479 Ang P6.N and I15.CD1 other bump:2.01795 Ang P6.CA and I15.CD1 other bump:1.85068 Ang P6.CG and I15.CD1 other bump:2.77248 Ang P6.CD and I15.CD1 other bump:1.73648 Ang P6.CB and I15.CD1 other bump:3.02936 Ang P6.CB and I15.CG1 other bump:2.9032 Ang V10.CG2 and I15.CG1 other bump:3.07111 Ang P6.CG and L12.CD2 other bump:2.85436 Ang P6.CD and L12.CD2 other bump:2.98724 Ang P6.CB and V10.CG1 other bump:2.95144 Ang L7.N and V10.CG1 other bump:2.19077 Ang L7.O and V10.CG1 Number of specific fragments= 2 total=464 Number of alignments=94 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1xxbA read from T0187-1xxbA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1xxbA in template set T0187 11 :TRRVLELVDQLNENDTVLFLLSGG 1xxbA 105 :AQLIARLLDSLGKAEGILGTIAGD Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.13963 Ang T2.OG1 and G26.CA other bump:2.56567 Ang T2.OG1 and G26.N other bump:2.72753 Ang T2.OG1 and G25.C other bump:3.21342 Ang T2.CB and G25.C other bump:2.78733 Ang R3.NH1 and G24.C other bump:2.7574 Ang R3.CZ and G24.O other bump:3.04822 Ang R3.CZ and G24.CA other bump:2.3411 Ang R3.NH1 and G24.CA other bump:3.10914 Ang R3.NH2 and G24.CA other bump:3.0089 Ang R3.CZ and G24.N other bump:1.80828 Ang R3.NH1 and G24.N other bump:2.39622 Ang R3.CZ and S23.C other bump:1.2044 Ang R3.NH1 and S23.C other bump:1.68245 Ang R3.CZ and S23.O other bump:1.23448 Ang R3.NH1 and S23.O other bump:2.13447 Ang R3.NH2 and S23.O other bump:2.71059 Ang R3.NH1 and S23.OG other bump:2.23114 Ang L6.CD1 and S23.OG other bump:2.24885 Ang R3.CD and S23.OG other bump:2.56369 Ang T2.CG2 and S23.CB other bump:3.23338 Ang T2.C and S23.CB other bump:2.61323 Ang L6.CG and S23.CB other bump:1.21726 Ang L6.CD1 and S23.CB other bump:2.40388 Ang R3.NH1 and S23.CA other bump:2.1313 Ang L6.CD1 and S23.CA other bump:2.68885 Ang L6.CD1 and S23.N other bump:2.37161 Ang D10.OD1 and L21.CD2 other bump:2.84794 Ang D10.CG and L21.CD2 other bump:2.53329 Ang L6.O and L21.CD1 other bump:2.53977 Ang D10.OD1 and L21.CD1 other bump:2.4669 Ang V9.CB and L21.CD1 other bump:2.51166 Ang V9.CG1 and L21.CD1 neighbor-bump: 1.87991 Ang D16.O and T17.OG1 neighbor-bump: 2.66138 Ang D16.C and T17.OG1 other bump:1.66536 Ang N13.O and D16.OD2 other bump:2.70555 Ang N13.C and D16.OD2 other bump:2.58659 Ang L12.CA and D16.OD1 other bump:2.29795 Ang L12.CB and D16.OD1 other bump:2.80026 Ang L12.C and D16.OD1 other bump:2.15356 Ang L12.CD2 and D16.OD1 neighbor-bump: 2.40366 Ang L12.O and N13.CG other bump:2.39953 Ang T2.O and L6.CG T0187 36 :SSLFELPLEGVSLEEIQKLTSAL 1xxbA 129 :DTIFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.54479 Ang P8.N and I17.CD1 other bump:1.85068 Ang P8.CG and I17.CD1 other bump:2.77248 Ang P8.CD and I17.CD1 other bump:2.01795 Ang P8.CA and I17.CD1 other bump:1.73648 Ang P8.CB and I17.CD1 other bump:3.02936 Ang P8.CB and I17.CG1 other bump:2.9032 Ang V12.CG2 and I17.CG1 other bump:3.07111 Ang P8.CG and L14.CD2 other bump:2.85436 Ang P8.CD and L14.CD2 other bump:2.98724 Ang P8.CB and V12.CG1 other bump:2.95144 Ang L9.N and V12.CG1 other bump:2.19077 Ang L9.O and V12.CG1 Number of specific fragments= 2 total=466 Number of alignments=95 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1xxbA read from T0187-1xxbA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1xxbA in template set T0187 11 :TRRVLELVDQLNENDTVLFLLSGGGS 1xxbA 105 :AQLIARLLDSLGKAEGILGTIAGDDT Fragment has 44 clashes (null) has 44 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.23826 Ang T2.CG2 and S27.C other bump:2.59267 Ang T2.OG1 and G26.C other bump:2.13963 Ang T2.OG1 and G26.CA other bump:2.56567 Ang T2.OG1 and G26.N other bump:2.72753 Ang T2.OG1 and G25.C other bump:3.21342 Ang T2.CB and G25.C other bump:2.78733 Ang R3.NH1 and G24.C other bump:2.7574 Ang R3.CZ and G24.O other bump:3.04822 Ang R3.CZ and G24.CA other bump:2.3411 Ang R3.NH1 and G24.CA other bump:3.10914 Ang R3.NH2 and G24.CA other bump:3.0089 Ang R3.CZ and G24.N other bump:1.80828 Ang R3.NH1 and G24.N other bump:2.39622 Ang R3.CZ and S23.C other bump:1.2044 Ang R3.NH1 and S23.C other bump:1.68245 Ang R3.CZ and S23.O other bump:1.23448 Ang R3.NH1 and S23.O other bump:2.13447 Ang R3.NH2 and S23.O other bump:2.71059 Ang R3.NH1 and S23.OG other bump:2.23114 Ang L6.CD1 and S23.OG other bump:2.24885 Ang R3.CD and S23.OG other bump:2.56369 Ang T2.CG2 and S23.CB other bump:3.23338 Ang T2.C and S23.CB other bump:2.61323 Ang L6.CG and S23.CB other bump:1.21726 Ang L6.CD1 and S23.CB other bump:2.40388 Ang R3.NH1 and S23.CA other bump:2.1313 Ang L6.CD1 and S23.CA other bump:2.68885 Ang L6.CD1 and S23.N other bump:2.37161 Ang D10.OD1 and L21.CD2 other bump:2.84794 Ang D10.CG and L21.CD2 other bump:2.53329 Ang L6.O and L21.CD1 other bump:2.53977 Ang D10.OD1 and L21.CD1 other bump:2.4669 Ang V9.CB and L21.CD1 other bump:2.51166 Ang V9.CG1 and L21.CD1 neighbor-bump: 1.87991 Ang D16.O and T17.OG1 neighbor-bump: 2.66138 Ang D16.C and T17.OG1 other bump:1.66536 Ang N13.O and D16.OD2 other bump:2.70555 Ang N13.C and D16.OD2 other bump:2.58659 Ang L12.CA and D16.OD1 other bump:2.29795 Ang L12.CB and D16.OD1 other bump:2.80026 Ang L12.C and D16.OD1 other bump:2.15356 Ang L12.CD2 and D16.OD1 neighbor-bump: 2.40366 Ang L12.O and N13.CG other bump:2.39953 Ang T2.O and L6.CG T0187 38 :LFELPLEGVSLEEIQKLTSAL 1xxbA 131 :IFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.54479 Ang P6.N and I15.CD1 other bump:2.01795 Ang P6.CA and I15.CD1 other bump:1.85068 Ang P6.CG and I15.CD1 other bump:2.77248 Ang P6.CD and I15.CD1 other bump:1.73648 Ang P6.CB and I15.CD1 other bump:3.02936 Ang P6.CB and I15.CG1 other bump:2.9032 Ang V10.CG2 and I15.CG1 other bump:3.07111 Ang P6.CG and L12.CD2 other bump:2.85436 Ang P6.CD and L12.CD2 other bump:2.98724 Ang P6.CB and V10.CG1 other bump:2.95144 Ang L7.N and V10.CG1 other bump:2.19077 Ang L7.O and V10.CG1 Number of specific fragments= 2 total=468 Number of alignments=96 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1xxbA read from T0187-1xxbA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1xxbA in template set T0187 11 :TRRVLELVDQLNENDTVLFLLSGG 1xxbA 105 :AQLIARLLDSLGKAEGILGTIAGD Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.13963 Ang T2.OG1 and G26.CA other bump:2.56567 Ang T2.OG1 and G26.N other bump:2.72753 Ang T2.OG1 and G25.C other bump:3.21342 Ang T2.CB and G25.C other bump:2.78733 Ang R3.NH1 and G24.C other bump:2.7574 Ang R3.CZ and G24.O other bump:3.04822 Ang R3.CZ and G24.CA other bump:2.3411 Ang R3.NH1 and G24.CA other bump:3.10914 Ang R3.NH2 and G24.CA other bump:3.0089 Ang R3.CZ and G24.N other bump:1.80828 Ang R3.NH1 and G24.N other bump:2.39622 Ang R3.CZ and S23.C other bump:1.2044 Ang R3.NH1 and S23.C other bump:1.68245 Ang R3.CZ and S23.O other bump:1.23448 Ang R3.NH1 and S23.O other bump:2.13447 Ang R3.NH2 and S23.O other bump:2.71059 Ang R3.NH1 and S23.OG other bump:2.23114 Ang L6.CD1 and S23.OG other bump:2.24885 Ang R3.CD and S23.OG other bump:2.56369 Ang T2.CG2 and S23.CB other bump:3.23338 Ang T2.C and S23.CB other bump:2.61323 Ang L6.CG and S23.CB other bump:1.21726 Ang L6.CD1 and S23.CB other bump:2.40388 Ang R3.NH1 and S23.CA other bump:2.1313 Ang L6.CD1 and S23.CA other bump:2.68885 Ang L6.CD1 and S23.N other bump:2.37161 Ang D10.OD1 and L21.CD2 other bump:2.84794 Ang D10.CG and L21.CD2 other bump:2.53329 Ang L6.O and L21.CD1 other bump:2.53977 Ang D10.OD1 and L21.CD1 other bump:2.4669 Ang V9.CB and L21.CD1 other bump:2.51166 Ang V9.CG1 and L21.CD1 neighbor-bump: 1.87991 Ang D16.O and T17.OG1 neighbor-bump: 2.66138 Ang D16.C and T17.OG1 other bump:1.66536 Ang N13.O and D16.OD2 other bump:2.70555 Ang N13.C and D16.OD2 other bump:2.58659 Ang L12.CA and D16.OD1 other bump:2.29795 Ang L12.CB and D16.OD1 other bump:2.80026 Ang L12.C and D16.OD1 other bump:2.15356 Ang L12.CD2 and D16.OD1 neighbor-bump: 2.40366 Ang L12.O and N13.CG other bump:2.39953 Ang T2.O and L6.CG T0187 36 :SSLFELPLEGVSLEEIQKLTSAL 1xxbA 129 :DTIFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.54479 Ang P8.N and I17.CD1 other bump:1.85068 Ang P8.CG and I17.CD1 other bump:2.77248 Ang P8.CD and I17.CD1 other bump:2.01795 Ang P8.CA and I17.CD1 other bump:1.73648 Ang P8.CB and I17.CD1 other bump:3.02936 Ang P8.CB and I17.CG1 other bump:2.9032 Ang V12.CG2 and I17.CG1 other bump:3.07111 Ang P8.CG and L14.CD2 other bump:2.85436 Ang P8.CD and L14.CD2 other bump:2.98724 Ang P8.CB and V12.CG1 other bump:2.95144 Ang L9.N and V12.CG1 other bump:2.19077 Ang L9.O and V12.CG1 Number of specific fragments= 2 total=470 Number of alignments=97 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-local-adpstyle1.pw.a2m.gz # 1xxbA read from T0187-1xxbA-local-adpstyle1.pw.a2m.gz # found chain 1xxbA in template set T0187 10 :TTRRVLELVDQLNENDTVLFLLS 1xxbA 104 :AAQLIARLLDSLGKAEGILGTIA Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:3.04822 Ang R4.CZ and G25.CA other bump:2.3411 Ang R4.NH1 and G25.CA other bump:3.10913 Ang R4.NH2 and G25.CA other bump:3.0089 Ang R4.CZ and G25.N other bump:1.80828 Ang R4.NH1 and G25.N other bump:2.39622 Ang R4.CZ and S24.C other bump:1.2044 Ang R4.NH1 and S24.C other bump:1.68245 Ang R4.CZ and S24.O other bump:1.23448 Ang R4.NH1 and S24.O other bump:2.13446 Ang R4.NH2 and S24.O other bump:1.84041 Ang L7.CG and S24.OG other bump:1.07364 Ang L7.CD1 and S24.OG other bump:2.06851 Ang L7.CB and S24.OG other bump:3.15499 Ang R4.CD and S24.CB other bump:2.82095 Ang L7.CG and S24.CB other bump:1.44722 Ang L7.CD1 and S24.CB other bump:2.40387 Ang R4.NH1 and S24.CA other bump:2.1313 Ang L7.CD1 and S24.CA other bump:2.68885 Ang L7.CD1 and S24.N other bump:2.37161 Ang D11.OD1 and L22.CD2 other bump:2.84794 Ang D11.CG and L22.CD2 other bump:2.53329 Ang L7.O and L22.CD1 other bump:2.53977 Ang D11.OD1 and L22.CD1 other bump:2.4669 Ang V10.CB and L22.CD1 other bump:2.51166 Ang V10.CG1 and L22.CD1 neighbor-bump: 1.87991 Ang D17.O and T18.OG1 neighbor-bump: 2.66138 Ang D17.C and T18.OG1 other bump:1.66536 Ang N14.O and D17.OD2 other bump:2.70555 Ang N14.C and D17.OD2 other bump:2.58659 Ang L13.CA and D17.OD1 other bump:2.29795 Ang L13.CB and D17.OD1 other bump:2.80026 Ang L13.C and D17.OD1 other bump:2.15356 Ang L13.CD2 and D17.OD1 neighbor-bump: 2.40366 Ang L13.O and N14.CG other bump:2.39953 Ang T3.O and L7.CG T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxbA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.54479 Ang P10.N and I19.CD1 other bump:1.85068 Ang P10.CG and I19.CD1 other bump:2.77248 Ang P10.CD and I19.CD1 other bump:2.01795 Ang P10.CA and I19.CD1 other bump:1.73648 Ang P10.CB and I19.CD1 other bump:3.02936 Ang P10.CB and I19.CG1 other bump:2.9032 Ang V14.CG2 and I19.CG1 other bump:3.07111 Ang P10.CG and L16.CD2 other bump:2.85436 Ang P10.CD and L16.CD2 other bump:2.98724 Ang P10.CB and V14.CG1 other bump:2.95144 Ang L11.N and V14.CG1 other bump:2.19077 Ang L11.O and V14.CG1 Number of specific fragments= 2 total=472 Number of alignments=98 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-local-adpstyle5.pw.a2m.gz # 1xxbA read from T0187-1xxbA-local-adpstyle5.pw.a2m.gz # found chain 1xxbA in template set T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSGG 1xxbA 101 :SPGAAQLIARLLDSLGKAEGILGTIAGD Fragment has 47 clashes (null) has 47 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.29666 Ang T6.CG2 and G30.CA other bump:2.90142 Ang T6.CG2 and G30.N other bump:3.21801 Ang T6.CG2 and G29.C other bump:2.47068 Ang T6.OG1 and G29.C other bump:2.24525 Ang T6.OG1 and G29.O other bump:2.78733 Ang R7.NH1 and G28.C other bump:2.75741 Ang R7.CZ and G28.O other bump:3.10913 Ang R7.NH2 and G28.CA other bump:3.04822 Ang R7.CZ and G28.CA other bump:2.3411 Ang R7.NH1 and G28.CA other bump:3.0089 Ang R7.CZ and G28.N other bump:1.80828 Ang R7.NH1 and G28.N other bump:2.39622 Ang R7.CZ and S27.C other bump:1.2044 Ang R7.NH1 and S27.C other bump:2.13446 Ang R7.NH2 and S27.O other bump:1.68245 Ang R7.CZ and S27.O other bump:1.23448 Ang R7.NH1 and S27.O other bump:2.24885 Ang R7.CD and S27.OG other bump:2.71058 Ang R7.NH1 and S27.OG other bump:2.23114 Ang L10.CD1 and S27.OG other bump:3.23338 Ang T6.C and S27.CB other bump:2.61323 Ang L10.CG and S27.CB other bump:1.21726 Ang L10.CD1 and S27.CB other bump:2.40387 Ang R7.NH1 and S27.CA other bump:2.1313 Ang L10.CD1 and S27.CA other bump:2.68885 Ang L10.CD1 and S27.N other bump:2.84794 Ang D14.CG and L25.CD2 other bump:2.37161 Ang D14.OD1 and L25.CD2 other bump:2.4669 Ang V13.CB and L25.CD1 other bump:2.51166 Ang V13.CG1 and L25.CD1 other bump:2.53329 Ang L10.O and L25.CD1 other bump:2.53977 Ang D14.OD1 and L25.CD1 neighbor-bump: 1.87991 Ang D20.O and T21.OG1 neighbor-bump: 2.66138 Ang D20.C and T21.OG1 other bump:1.66536 Ang N17.O and D20.OD2 other bump:2.70555 Ang N17.C and D20.OD2 other bump:2.58659 Ang L16.CA and D20.OD1 other bump:2.29795 Ang L16.CB and D20.OD1 other bump:2.80026 Ang L16.C and D20.OD1 other bump:2.15356 Ang L16.CD2 and D20.OD1 neighbor-bump: 2.40366 Ang L16.O and N17.CG other bump:2.39953 Ang T6.O and L10.CG neighbor-bump: 2.94397 Ang I3.CG2 and K4.CA neighbor-bump: 2.45823 Ang I3.CB and K4.N neighbor-bump: 1.82166 Ang I3.CG2 and K4.N self-bump: 2.34201 Ang I3.CG2 and I3.C self-bump: 1.35861 Ang I3.CA and I3.CB T0187 36 :SSLFELPLEGVSLEEIQKLTSAL 1xxbA 129 :DTIFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.54479 Ang P8.N and I17.CD1 other bump:1.85068 Ang P8.CG and I17.CD1 other bump:2.77248 Ang P8.CD and I17.CD1 other bump:2.01795 Ang P8.CA and I17.CD1 other bump:1.73648 Ang P8.CB and I17.CD1 other bump:3.02936 Ang P8.CB and I17.CG1 other bump:2.9032 Ang V12.CG2 and I17.CG1 other bump:3.07111 Ang P8.CG and L14.CD2 other bump:2.85436 Ang P8.CD and L14.CD2 other bump:2.98724 Ang P8.CB and V12.CG1 other bump:2.95144 Ang L9.N and V12.CG1 other bump:2.19077 Ang L9.O and V12.CG1 Number of specific fragments= 2 total=474 Number of alignments=99 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-simpleSW-adpstyle1.pw.a2m.gz # 1xxbA read from T0187-1xxbA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1xxbA in template set T0187 34 :GGSSLFELPLEGVSLEEI 1xxbA 127 :GDDTIFTTPANGFTVKDL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.85436 Ang P10.CD and L16.CD2 other bump:3.07111 Ang P10.CG and L16.CD2 other bump:2.98724 Ang P10.CB and V14.CG1 other bump:2.95144 Ang L11.N and V14.CG1 other bump:2.19077 Ang L11.O and V14.CG1 Number of specific fragments= 1 total=475 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-simpleSW-adpstyle5.pw.a2m.gz # 1xxbA read from T0187-1xxbA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1xxbA in template set T0187 13 :RVLELVDQLNENDTVLFLLSG 1xxbA 107 :LIARLLDSLGKAEGILGTIAG Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.23114 Ang L4.CD1 and S21.OG other bump:2.61323 Ang L4.CG and S21.CB other bump:1.21726 Ang L4.CD1 and S21.CB other bump:2.1313 Ang L4.CD1 and S21.CA other bump:2.68885 Ang L4.CD1 and S21.N other bump:2.37161 Ang D8.OD1 and L19.CD2 other bump:2.84794 Ang D8.CG and L19.CD2 other bump:2.53329 Ang L4.O and L19.CD1 other bump:2.53977 Ang D8.OD1 and L19.CD1 other bump:2.4669 Ang V7.CB and L19.CD1 other bump:2.51166 Ang V7.CG1 and L19.CD1 neighbor-bump: 1.87991 Ang D14.O and T15.OG1 neighbor-bump: 2.66138 Ang D14.C and T15.OG1 other bump:1.66536 Ang N11.O and D14.OD2 other bump:2.70555 Ang N11.C and D14.OD2 other bump:2.58659 Ang L10.CA and D14.OD1 other bump:2.29795 Ang L10.CB and D14.OD1 other bump:2.80026 Ang L10.C and D14.OD1 other bump:2.15356 Ang L10.CD2 and D14.OD1 neighbor-bump: 2.40366 Ang L10.O and N11.CG T0187 35 :GSSLFELPLEGVSLEEIQK 1xxbA 128 :DDTIFTTPANGFTVKDLYE Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.54479 Ang P9.N and I18.CD1 other bump:1.85068 Ang P9.CG and I18.CD1 other bump:2.77248 Ang P9.CD and I18.CD1 other bump:2.01795 Ang P9.CA and I18.CD1 other bump:1.73648 Ang P9.CB and I18.CD1 other bump:3.02936 Ang P9.CB and I18.CG1 other bump:2.9032 Ang V13.CG2 and I18.CG1 other bump:3.07111 Ang P9.CG and L15.CD2 other bump:2.85436 Ang P9.CD and L15.CD2 other bump:2.98724 Ang P9.CB and V13.CG1 other bump:2.95144 Ang L10.N and V13.CG1 other bump:2.19077 Ang L10.O and V13.CG1 Number of specific fragments= 2 total=477 Number of alignments=100 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-vit-adpstyle1.pw.a2m.gz # 1xxbA read from T0187-1xxbA-vit-adpstyle1.pw.a2m.gz # found chain 1xxbA in template set T0187 10 :TTRRVLELVDQLNENDTVLFLLS 1xxbA 104 :AAQLIARLLDSLGKAEGILGTIA Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:3.04822 Ang R4.CZ and G25.CA other bump:2.3411 Ang R4.NH1 and G25.CA other bump:3.10913 Ang R4.NH2 and G25.CA other bump:3.0089 Ang R4.CZ and G25.N other bump:1.80828 Ang R4.NH1 and G25.N other bump:2.39622 Ang R4.CZ and S24.C other bump:1.2044 Ang R4.NH1 and S24.C other bump:1.68245 Ang R4.CZ and S24.O other bump:1.23448 Ang R4.NH1 and S24.O other bump:2.13446 Ang R4.NH2 and S24.O other bump:1.84041 Ang L7.CG and S24.OG other bump:1.07364 Ang L7.CD1 and S24.OG other bump:2.06851 Ang L7.CB and S24.OG other bump:3.15499 Ang R4.CD and S24.CB other bump:2.82095 Ang L7.CG and S24.CB other bump:1.44722 Ang L7.CD1 and S24.CB other bump:2.40387 Ang R4.NH1 and S24.CA other bump:2.1313 Ang L7.CD1 and S24.CA other bump:2.68885 Ang L7.CD1 and S24.N other bump:2.37161 Ang D11.OD1 and L22.CD2 other bump:2.84794 Ang D11.CG and L22.CD2 other bump:2.53329 Ang L7.O and L22.CD1 other bump:2.53977 Ang D11.OD1 and L22.CD1 other bump:2.4669 Ang V10.CB and L22.CD1 other bump:2.51166 Ang V10.CG1 and L22.CD1 neighbor-bump: 1.87991 Ang D17.O and T18.OG1 neighbor-bump: 2.66138 Ang D17.C and T18.OG1 other bump:1.66536 Ang N14.O and D17.OD2 other bump:2.70555 Ang N14.C and D17.OD2 other bump:2.58659 Ang L13.CA and D17.OD1 other bump:2.29795 Ang L13.CB and D17.OD1 other bump:2.80026 Ang L13.C and D17.OD1 other bump:2.15356 Ang L13.CD2 and D17.OD1 neighbor-bump: 2.40366 Ang L13.O and N14.CG other bump:2.39953 Ang T3.O and L7.CG T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxbA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.54479 Ang P10.N and I19.CD1 other bump:1.85068 Ang P10.CG and I19.CD1 other bump:2.77248 Ang P10.CD and I19.CD1 other bump:2.01795 Ang P10.CA and I19.CD1 other bump:1.73648 Ang P10.CB and I19.CD1 other bump:3.02936 Ang P10.CB and I19.CG1 other bump:2.9032 Ang V14.CG2 and I19.CG1 other bump:3.07111 Ang P10.CG and L16.CD2 other bump:2.85436 Ang P10.CD and L16.CD2 other bump:2.98724 Ang P10.CB and V14.CG1 other bump:2.95144 Ang L11.N and V14.CG1 other bump:2.19077 Ang L11.O and V14.CG1 Number of specific fragments= 2 total=479 Number of alignments=101 # Reading fragments from alignment file # T0187 read from T0187-1xxbA-vit-adpstyle5.pw.a2m.gz # 1xxbA read from T0187-1xxbA-vit-adpstyle5.pw.a2m.gz # found chain 1xxbA in template set T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSGG 1xxbA 101 :SPGAAQLIARLLDSLGKAEGILGTIAGD Fragment has 47 clashes (null) has 47 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.29666 Ang T6.CG2 and G30.CA other bump:2.90142 Ang T6.CG2 and G30.N other bump:3.21801 Ang T6.CG2 and G29.C other bump:2.47068 Ang T6.OG1 and G29.C other bump:2.24525 Ang T6.OG1 and G29.O other bump:2.78733 Ang R7.NH1 and G28.C other bump:2.75741 Ang R7.CZ and G28.O other bump:3.10913 Ang R7.NH2 and G28.CA other bump:3.04822 Ang R7.CZ and G28.CA other bump:2.3411 Ang R7.NH1 and G28.CA other bump:3.0089 Ang R7.CZ and G28.N other bump:1.80828 Ang R7.NH1 and G28.N other bump:2.39622 Ang R7.CZ and S27.C other bump:1.2044 Ang R7.NH1 and S27.C other bump:2.13446 Ang R7.NH2 and S27.O other bump:1.68245 Ang R7.CZ and S27.O other bump:1.23448 Ang R7.NH1 and S27.O other bump:2.24885 Ang R7.CD and S27.OG other bump:2.71058 Ang R7.NH1 and S27.OG other bump:2.23114 Ang L10.CD1 and S27.OG other bump:3.23338 Ang T6.C and S27.CB other bump:2.61323 Ang L10.CG and S27.CB other bump:1.21726 Ang L10.CD1 and S27.CB other bump:2.40387 Ang R7.NH1 and S27.CA other bump:2.1313 Ang L10.CD1 and S27.CA other bump:2.68885 Ang L10.CD1 and S27.N other bump:2.84794 Ang D14.CG and L25.CD2 other bump:2.37161 Ang D14.OD1 and L25.CD2 other bump:2.4669 Ang V13.CB and L25.CD1 other bump:2.51166 Ang V13.CG1 and L25.CD1 other bump:2.53329 Ang L10.O and L25.CD1 other bump:2.53977 Ang D14.OD1 and L25.CD1 neighbor-bump: 1.87991 Ang D20.O and T21.OG1 neighbor-bump: 2.66138 Ang D20.C and T21.OG1 other bump:1.66536 Ang N17.O and D20.OD2 other bump:2.70555 Ang N17.C and D20.OD2 other bump:2.58659 Ang L16.CA and D20.OD1 other bump:2.29795 Ang L16.CB and D20.OD1 other bump:2.80026 Ang L16.C and D20.OD1 other bump:2.15356 Ang L16.CD2 and D20.OD1 neighbor-bump: 2.40366 Ang L16.O and N17.CG other bump:2.39953 Ang T6.O and L10.CG neighbor-bump: 2.94397 Ang I3.CG2 and K4.CA neighbor-bump: 2.45823 Ang I3.CB and K4.N neighbor-bump: 1.82166 Ang I3.CG2 and K4.N self-bump: 2.34201 Ang I3.CG2 and I3.C self-bump: 1.35861 Ang I3.CA and I3.CB T0187 36 :SSLFELPLEGVSLEEIQKLTSAL 1xxbA 129 :DTIFTTPANGFTVKDLYEAILEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.54479 Ang P8.N and I17.CD1 other bump:1.85068 Ang P8.CG and I17.CD1 other bump:2.77248 Ang P8.CD and I17.CD1 other bump:2.01795 Ang P8.CA and I17.CD1 other bump:1.73648 Ang P8.CB and I17.CD1 other bump:3.02936 Ang P8.CB and I17.CG1 other bump:2.9032 Ang V12.CG2 and I17.CG1 other bump:3.07111 Ang P8.CG and L14.CD2 other bump:2.85436 Ang P8.CD and L14.CD2 other bump:2.98724 Ang P8.CB and V12.CG1 other bump:2.95144 Ang L9.N and V12.CG1 other bump:2.19077 Ang L9.O and V12.CG1 Number of specific fragments= 2 total=481 Number of alignments=102 # Prefix for input files set to 1fxkC/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1fxkC-T0187-fssp-global-adpstyle1.pw.a2m.gz # 1fxkC read from 1fxkC-T0187-fssp-global-adpstyle1.pw.a2m.gz # found chain 1fxkC in template set T0187 33 :GGGSSLFELPLEGVSLEEIQKLTSAL 1fxkC 6 :ALAEIVAQLNIYQSQVELIQQQMEAV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.26827 Ang F8.O and P11.CD other bump:2.79652 Ang E9.C and P11.CD neighbor-bump: 2.39933 Ang L10.N and P11.CD other bump:2.66326 Ang F8.C and P11.CD T0187 62 :GASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASG 1fxkC 32 :RATISELEILEKTLSDIQGKDGSETLVPVGAGSFIKAELKDTSEVIMSVG Fragment has 61 clashes (null) has 61 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:2.53257 Ang R22.NH1 and D43.C other bump:1.50672 Ang R22.CZ and D43.OD2 other bump:0.380494 Ang R22.NH2 and D43.OD2 other bump:1.60991 Ang V40.CG1 and D43.OD2 other bump:2.09217 Ang R22.NH2 and D43.OD1 other bump:2.17205 Ang V40.CG1 and D43.OD1 other bump:2.7124 Ang R22.NE and D43.CG other bump:1.55943 Ang R22.CZ and D43.CG other bump:1.26462 Ang R22.NH2 and D43.CG other bump:2.1322 Ang V40.CG1 and D43.CG other bump:2.08091 Ang R22.CZ and D43.CB other bump:1.23861 Ang R22.NH1 and D43.CB other bump:2.49304 Ang R22.NH2 and D43.CB other bump:2.29806 Ang R22.CZ and D43.CA other bump:1.14076 Ang R22.NH1 and D43.CA other bump:2.93217 Ang R22.NH2 and D43.CA other bump:2.63445 Ang R22.CD and D43.N other bump:2.55354 Ang R22.NE and D43.N other bump:2.09864 Ang R22.CZ and D43.N other bump:1.33699 Ang R22.NH1 and D43.N other bump:3.18545 Ang R22.CD and G42.C other bump:3.17135 Ang R22.CZ and G42.C other bump:2.63715 Ang R22.NH1 and G42.C other bump:2.81019 Ang R22.CD and G42.CA other bump:2.14699 Ang R22.CD and G42.N other bump:2.63352 Ang R22.NE and G42.N other bump:2.81326 Ang R22.CD and L41.C other bump:2.57952 Ang R22.NE and L41.C other bump:3.17523 Ang R22.CZ and L41.C other bump:3.25774 Ang R22.CD and L41.CA other bump:2.82503 Ang R22.NE and L41.CA other bump:2.90475 Ang R22.NE and L41.N other bump:2.94121 Ang R22.NE and V40.CG1 other bump:2.44279 Ang R22.CZ and V40.CG1 other bump:1.38794 Ang R22.NH2 and V40.CG1 other bump:2.88696 Ang R22.NH2 and V40.CB other bump:3.02181 Ang F28.CZ and S38.OG other bump:1.91912 Ang F28.CE2 and S38.OG other bump:3.12275 Ang F28.CE2 and S38.CB other bump:3.05389 Ang V27.CG1 and L35.CD2 other bump:3.05969 Ang V27.CG1 and L35.CG other bump:2.57744 Ang V27.CG1 and L35.CB neighbor-bump: 2.26966 Ang V32.O and V33.CB neighbor-bump: 2.4873 Ang V32.C and V33.CB neighbor-bump: 2.16568 Ang A30.O and K31.CG other bump:2.70883 Ang R26.CZ and F28.CZ other bump:2.23963 Ang R26.NH1 and F28.CZ other bump:2.50674 Ang R26.NE and F28.CZ other bump:2.9978 Ang R26.CG and F28.CZ other bump:1.75499 Ang R26.CD and F28.CZ other bump:2.55274 Ang R26.CD and F28.CE2 other bump:1.42308 Ang R26.CZ and F28.CE1 other bump:1.16285 Ang R26.NH1 and F28.CE1 other bump:1.72819 Ang R26.NE and F28.CE1 other bump:2.65404 Ang R26.NH2 and F28.CE1 other bump:1.96181 Ang R26.CD and F28.CE1 other bump:1.89069 Ang R26.CZ and F28.CD1 other bump:2.05567 Ang R26.NH1 and F28.CD1 other bump:2.26777 Ang R26.NE and F28.CD1 other bump:2.5831 Ang R26.NH2 and F28.CD1 other bump:2.8469 Ang R26.CD and F28.CD1 T0187 112 :PAWPDSSTSEDALKVLEKYGIETSESVKRAILQETPKHL 1fxkC 92 :DAMESIKSQKNELESTLQKMGENLRAITDIMMKLSPQAE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:1.98702 Ang E26.CD and R30.NH2 other bump:1.98928 Ang E26.OE2 and R30.NH2 other bump:2.96799 Ang E26.CG and R30.CZ other bump:2.9537 Ang E26.CG and R30.NE Number of specific fragments= 3 total=484 Number of alignments=103 # Reading fragments from alignment file # T0187 read from 1fxkC-T0187-fssp-global-adpstyle5.pw.a2m.gz # 1fxkC read from 1fxkC-T0187-fssp-global-adpstyle5.pw.a2m.gz # found chain 1fxkC in template set T0187 33 :GGGSSLFELPLEGVSLEEIQKLTSAL 1fxkC 6 :ALAEIVAQLNIYQSQVELIQQQMEAV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.26827 Ang F8.O and P11.CD other bump:2.79652 Ang E9.C and P11.CD neighbor-bump: 2.39933 Ang L10.N and P11.CD other bump:2.66326 Ang F8.C and P11.CD T0187 62 :GASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASG 1fxkC 32 :RATISELEILEKTLSDIQGKDGSETLVPVGAGSFIKAELKDTSEVIMSVG Fragment has 61 clashes (null) has 61 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:2.53257 Ang R22.NH1 and D43.C other bump:1.50672 Ang R22.CZ and D43.OD2 other bump:0.380494 Ang R22.NH2 and D43.OD2 other bump:1.60991 Ang V40.CG1 and D43.OD2 other bump:2.09217 Ang R22.NH2 and D43.OD1 other bump:2.17205 Ang V40.CG1 and D43.OD1 other bump:2.7124 Ang R22.NE and D43.CG other bump:1.55943 Ang R22.CZ and D43.CG other bump:1.26462 Ang R22.NH2 and D43.CG other bump:2.1322 Ang V40.CG1 and D43.CG other bump:2.08091 Ang R22.CZ and D43.CB other bump:1.23861 Ang R22.NH1 and D43.CB other bump:2.49304 Ang R22.NH2 and D43.CB other bump:2.29806 Ang R22.CZ and D43.CA other bump:1.14076 Ang R22.NH1 and D43.CA other bump:2.93217 Ang R22.NH2 and D43.CA other bump:2.63445 Ang R22.CD and D43.N other bump:2.55354 Ang R22.NE and D43.N other bump:2.09864 Ang R22.CZ and D43.N other bump:1.33699 Ang R22.NH1 and D43.N other bump:3.18545 Ang R22.CD and G42.C other bump:3.17135 Ang R22.CZ and G42.C other bump:2.63715 Ang R22.NH1 and G42.C other bump:2.81019 Ang R22.CD and G42.CA other bump:2.14699 Ang R22.CD and G42.N other bump:2.63352 Ang R22.NE and G42.N other bump:2.81326 Ang R22.CD and L41.C other bump:2.57952 Ang R22.NE and L41.C other bump:3.17523 Ang R22.CZ and L41.C other bump:3.25774 Ang R22.CD and L41.CA other bump:2.82503 Ang R22.NE and L41.CA other bump:2.90475 Ang R22.NE and L41.N other bump:2.94121 Ang R22.NE and V40.CG1 other bump:2.44279 Ang R22.CZ and V40.CG1 other bump:1.38794 Ang R22.NH2 and V40.CG1 other bump:2.88696 Ang R22.NH2 and V40.CB other bump:3.02181 Ang F28.CZ and S38.OG other bump:1.91912 Ang F28.CE2 and S38.OG other bump:3.12275 Ang F28.CE2 and S38.CB other bump:3.05389 Ang V27.CG1 and L35.CD2 other bump:3.05969 Ang V27.CG1 and L35.CG other bump:2.57744 Ang V27.CG1 and L35.CB neighbor-bump: 2.26966 Ang V32.O and V33.CB neighbor-bump: 2.4873 Ang V32.C and V33.CB neighbor-bump: 2.16568 Ang A30.O and K31.CG other bump:2.70883 Ang R26.CZ and F28.CZ other bump:2.23963 Ang R26.NH1 and F28.CZ other bump:2.50674 Ang R26.NE and F28.CZ other bump:2.9978 Ang R26.CG and F28.CZ other bump:1.75499 Ang R26.CD and F28.CZ other bump:2.55274 Ang R26.CD and F28.CE2 other bump:1.42308 Ang R26.CZ and F28.CE1 other bump:1.16285 Ang R26.NH1 and F28.CE1 other bump:1.72819 Ang R26.NE and F28.CE1 other bump:2.65404 Ang R26.NH2 and F28.CE1 other bump:1.96181 Ang R26.CD and F28.CE1 other bump:1.89069 Ang R26.CZ and F28.CD1 other bump:2.05567 Ang R26.NH1 and F28.CD1 other bump:2.26777 Ang R26.NE and F28.CD1 other bump:2.5831 Ang R26.NH2 and F28.CD1 other bump:2.8469 Ang R26.CD and F28.CD1 T0187 112 :PAWPDSSTSEDALKVLEKYGIETSESVKRAILQETPKHL 1fxkC 92 :DAMESIKSQKNELESTLQKMGENLRAITDIMMKLSPQAE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:1.98702 Ang E26.CD and R30.NH2 other bump:1.98928 Ang E26.OE2 and R30.NH2 other bump:2.96799 Ang E26.CG and R30.CZ other bump:2.9537 Ang E26.CG and R30.NE Number of specific fragments= 3 total=487 Number of alignments=104 # Reading fragments from alignment file # T0187 read from 1fxkC-T0187-local-adpstyle1.pw.a2m.gz # 1fxkC read from 1fxkC-T0187-local-adpstyle1.pw.a2m.gz # found chain 1fxkC in template set T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERVFP 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQGKDGSETLVP Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.23963 Ang R39.NH1 and F41.CZ other bump:2.9978 Ang R39.CG and F41.CZ other bump:1.75499 Ang R39.CD and F41.CZ other bump:2.50674 Ang R39.NE and F41.CZ other bump:2.70883 Ang R39.CZ and F41.CZ other bump:2.55274 Ang R39.CD and F41.CE2 other bump:1.16285 Ang R39.NH1 and F41.CE1 other bump:1.96181 Ang R39.CD and F41.CE1 other bump:1.72819 Ang R39.NE and F41.CE1 other bump:1.42308 Ang R39.CZ and F41.CE1 other bump:2.65404 Ang R39.NH2 and F41.CE1 other bump:2.05567 Ang R39.NH1 and F41.CD1 other bump:2.8469 Ang R39.CD and F41.CD1 other bump:2.26777 Ang R39.NE and F41.CD1 other bump:1.89069 Ang R39.CZ and F41.CD1 other bump:2.5831 Ang R39.NH2 and F41.CD1 Number of specific fragments= 1 total=488 Number of alignments=105 # Reading fragments from alignment file # T0187 read from 1fxkC-T0187-local-adpstyle5.pw.a2m.gz # 1fxkC read from 1fxkC-T0187-local-adpstyle5.pw.a2m.gz # found chain 1fxkC in template set T0187 15 :LELVDQLNENDTVLFLLSGGGSSLFELPLE 1fxkC 42 :EKTLSDIQGKDGSETLVPVGAGSFIKAELK Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.71529 Ang V14.CG1 and L30.CD1 other bump:2.94328 Ang L8.CD2 and L30.CD1 other bump:3.07256 Ang F16.CE2 and L30.N other bump:3.0752 Ang F16.CE2 and P29.C other bump:2.66834 Ang F16.CZ and L28.CD1 other bump:2.32297 Ang F16.CE1 and L28.CD1 other bump:1.996 Ang L18.CD1 and L28.CD1 other bump:2.39998 Ang F16.CZ and L28.CB other bump:3.03262 Ang F16.CE2 and L28.CB other bump:2.61993 Ang F16.CE1 and L28.CB other bump:2.46698 Ang F16.CD1 and L18.CD2 other bump:2.68131 Ang L4.CD1 and L8.CD1 Number of specific fragments= 1 total=489 Number of alignments=106 # Reading fragments from alignment file # T0187 read from 1fxkC-T0187-vit-adpstyle1.pw.a2m.gz # 1fxkC read from 1fxkC-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1fxkC in template set T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERVFP 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQGKDGSETLVP Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.23963 Ang R39.NH1 and F41.CZ other bump:2.9978 Ang R39.CG and F41.CZ other bump:1.75499 Ang R39.CD and F41.CZ other bump:2.50674 Ang R39.NE and F41.CZ other bump:2.70883 Ang R39.CZ and F41.CZ other bump:2.55274 Ang R39.CD and F41.CE2 other bump:1.16285 Ang R39.NH1 and F41.CE1 other bump:1.96181 Ang R39.CD and F41.CE1 other bump:1.72819 Ang R39.NE and F41.CE1 other bump:1.42308 Ang R39.CZ and F41.CE1 other bump:2.65404 Ang R39.NH2 and F41.CE1 other bump:2.05567 Ang R39.NH1 and F41.CD1 other bump:2.8469 Ang R39.CD and F41.CD1 other bump:2.26777 Ang R39.NE and F41.CD1 other bump:1.89069 Ang R39.CZ and F41.CD1 other bump:2.5831 Ang R39.NH2 and F41.CD1 Number of specific fragments= 1 total=490 Number of alignments=107 # Reading fragments from alignment file # T0187 read from 1fxkC-T0187-vit-adpstyle5.pw.a2m.gz # 1fxkC read from 1fxkC-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1fxkC in template set T0187 15 :LELVDQLNENDTVLFLLSGGGSSLFELPLE 1fxkC 42 :EKTLSDIQGKDGSETLVPVGAGSFIKAELK Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.71529 Ang V14.CG1 and L30.CD1 other bump:2.94328 Ang L8.CD2 and L30.CD1 other bump:3.07256 Ang F16.CE2 and L30.N other bump:3.0752 Ang F16.CE2 and P29.C other bump:2.66834 Ang F16.CZ and L28.CD1 other bump:2.32297 Ang F16.CE1 and L28.CD1 other bump:1.996 Ang L18.CD1 and L28.CD1 other bump:2.39998 Ang F16.CZ and L28.CB other bump:3.03262 Ang F16.CE2 and L28.CB other bump:2.61993 Ang F16.CE1 and L28.CB other bump:2.46698 Ang F16.CD1 and L18.CD2 other bump:2.68131 Ang L4.CD1 and L8.CD1 Number of specific fragments= 1 total=491 Number of alignments=108 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1fxkC read from T0187-1fxkC-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1fxkC in template set T0187 4 :DENTIKTTRRVLE 1fxkC 6 :ALAEIVAQLNIYQ Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.41721 Ang I6.CG2 and R10.NH2 other bump:2.26036 Ang I6.CB and R10.NH2 other bump:2.12807 Ang I6.CG2 and R10.NH1 other bump:1.83705 Ang I6.CG2 and R10.CZ other bump:2.97192 Ang I6.CG2 and R10.NE other bump:2.56496 Ang E3.CD and K7.NZ other bump:2.20328 Ang E3.OE1 and K7.NZ other bump:2.44954 Ang E3.CG and K7.CE T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASGPAWPDSSTSEDALKVLEKYGIETSESVKRAILQETP 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQGKDGSETLVPVGAGSFIKAELKDTSEVIMSVGAGVAIKKNFEDAMESIKSQKNELESTLQKMGENLRA Fragment has 88 clashes (null) has 88 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 101 residues other bump:1.85561 Ang L96.O and P100.CD other bump:2.99706 Ang L96.C and P100.CD other bump:3.06198 Ang L11.CD1 and E98.OE2 other bump:2.77437 Ang L11.CD2 and A94.CB other bump:1.84072 Ang I85.CG2 and E89.OE2 other bump:2.54914 Ang E86.CA and E89.OE1 other bump:1.77808 Ang I85.C and E89.OE1 other bump:1.04188 Ang I85.O and E89.OE1 other bump:2.7702 Ang I85.CG2 and E89.CD other bump:2.68694 Ang I85.C and E89.CD other bump:1.96873 Ang I85.O and E89.CD other bump:3.10835 Ang V79.CG1 and Y83.CE2 other bump:2.73086 Ang R25.NH2 and E81.CA other bump:2.73901 Ang R25.NH2 and E81.N other bump:2.45117 Ang R25.NH2 and L80.C other bump:2.10305 Ang R25.NH2 and L80.O other bump:2.4318 Ang K32.NZ and S73.OG neighbor-bump: 1.95077 Ang W67.C and P68.CD neighbor-bump: 2.2607 Ang P65.O and A66.CB neighbor-bump: 2.49688 Ang P65.C and A66.CB neighbor-bump: 1.61885 Ang G64.C and P65.CD self-bump: 1.26161 Ang P65.N and P65.CD neighbor-bump: 1.99093 Ang G64.CA and P65.CD neighbor-bump: 2.62469 Ang G64.C and P65.CG self-bump: 2.11161 Ang P65.N and P65.CG neighbor-bump: 2.64778 Ang G64.C and P65.CB self-bump: 2.14854 Ang P65.N and P65.CB other bump:2.53257 Ang R35.NH1 and D56.C other bump:1.50672 Ang R35.CZ and D56.OD2 other bump:0.380494 Ang R35.NH2 and D56.OD2 other bump:1.60991 Ang V53.CG1 and D56.OD2 other bump:2.09217 Ang R35.NH2 and D56.OD1 other bump:2.17205 Ang V53.CG1 and D56.OD1 other bump:2.7124 Ang R35.NE and D56.CG other bump:1.55943 Ang R35.CZ and D56.CG other bump:1.26462 Ang R35.NH2 and D56.CG other bump:2.1322 Ang V53.CG1 and D56.CG other bump:2.08091 Ang R35.CZ and D56.CB other bump:1.23861 Ang R35.NH1 and D56.CB other bump:2.49304 Ang R35.NH2 and D56.CB other bump:2.29806 Ang R35.CZ and D56.CA other bump:1.14076 Ang R35.NH1 and D56.CA other bump:2.93217 Ang R35.NH2 and D56.CA other bump:2.63445 Ang R35.CD and D56.N other bump:2.55354 Ang R35.NE and D56.N other bump:2.09864 Ang R35.CZ and D56.N other bump:1.33699 Ang R35.NH1 and D56.N other bump:3.18545 Ang R35.CD and G55.C other bump:3.17135 Ang R35.CZ and G55.C other bump:2.63715 Ang R35.NH1 and G55.C other bump:2.81019 Ang R35.CD and G55.CA other bump:2.14699 Ang R35.CD and G55.N other bump:2.63352 Ang R35.NE and G55.N other bump:2.81326 Ang R35.CD and L54.C other bump:2.57952 Ang R35.NE and L54.C other bump:3.17523 Ang R35.CZ and L54.C other bump:3.25774 Ang R35.CD and L54.CA other bump:2.82503 Ang R35.NE and L54.CA other bump:2.90475 Ang R35.NE and L54.N other bump:2.94121 Ang R35.NE and V53.CG1 other bump:2.44279 Ang R35.CZ and V53.CG1 other bump:1.38794 Ang R35.NH2 and V53.CG1 other bump:2.88696 Ang R35.NH2 and V53.CB other bump:3.02181 Ang F41.CZ and S51.OG other bump:1.91912 Ang F41.CE2 and S51.OG other bump:3.12275 Ang F41.CE2 and S51.CB other bump:3.05389 Ang V40.CG1 and L48.CD2 other bump:3.05969 Ang V40.CG1 and L48.CG other bump:2.57744 Ang V40.CG1 and L48.CB neighbor-bump: 2.26966 Ang V45.O and V46.CB neighbor-bump: 2.4873 Ang V45.C and V46.CB neighbor-bump: 2.16568 Ang A43.O and K44.CG other bump:2.70883 Ang R39.CZ and F41.CZ other bump:2.23963 Ang R39.NH1 and F41.CZ other bump:2.9978 Ang R39.CG and F41.CZ other bump:1.75499 Ang R39.CD and F41.CZ other bump:2.50674 Ang R39.NE and F41.CZ other bump:2.55274 Ang R39.CD and F41.CE2 other bump:1.42308 Ang R39.CZ and F41.CE1 other bump:1.16285 Ang R39.NH1 and F41.CE1 other bump:2.65404 Ang R39.NH2 and F41.CE1 other bump:1.96181 Ang R39.CD and F41.CE1 other bump:1.72819 Ang R39.NE and F41.CE1 other bump:1.89069 Ang R39.CZ and F41.CD1 other bump:2.05567 Ang R39.NH1 and F41.CD1 other bump:2.5831 Ang R39.NH2 and F41.CD1 other bump:2.8469 Ang R39.CD and F41.CD1 other bump:2.26777 Ang R39.NE and F41.CD1 Number of specific fragments= 2 total=493 Number of alignments=109 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1fxkC read from T0187-1fxkC-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1fxkC in template set T0187 1 :PV 1fxkC 5 :AA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues self-bump: 1.33948 Ang P1.CA and P1.CB T0187 5 :ENTIKTTRRVLE 1fxkC 7 :LAEIVAQLNIYQ Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.26036 Ang I5.CB and R9.NH2 other bump:1.41721 Ang I5.CG2 and R9.NH2 other bump:2.12807 Ang I5.CG2 and R9.NH1 other bump:1.83705 Ang I5.CG2 and R9.CZ other bump:2.97192 Ang I5.CG2 and R9.NE other bump:2.85738 Ang E2.CG and K6.CE T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASGPAWP 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQGKDGSETLVPVGAGSFIKAELKDTSEVIMSVGAGVA Fragment has 71 clashes (null) has 71 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 69 residues neighbor-bump: 2.10912 Ang W67.C and P68.CD neighbor-bump: 2.2607 Ang P65.O and A66.CB neighbor-bump: 2.49688 Ang P65.C and A66.CB neighbor-bump: 1.99093 Ang G64.CA and P65.CD neighbor-bump: 1.61885 Ang G64.C and P65.CD self-bump: 1.26161 Ang P65.N and P65.CD neighbor-bump: 2.62469 Ang G64.C and P65.CG self-bump: 2.11161 Ang P65.N and P65.CG neighbor-bump: 2.64778 Ang G64.C and P65.CB self-bump: 2.14854 Ang P65.N and P65.CB other bump:2.53257 Ang R35.NH1 and D56.C other bump:1.50672 Ang R35.CZ and D56.OD2 other bump:0.380494 Ang R35.NH2 and D56.OD2 other bump:1.60991 Ang V53.CG1 and D56.OD2 other bump:2.09217 Ang R35.NH2 and D56.OD1 other bump:2.17205 Ang V53.CG1 and D56.OD1 other bump:2.7124 Ang R35.NE and D56.CG other bump:1.55943 Ang R35.CZ and D56.CG other bump:1.26462 Ang R35.NH2 and D56.CG other bump:2.1322 Ang V53.CG1 and D56.CG other bump:2.08091 Ang R35.CZ and D56.CB other bump:1.23861 Ang R35.NH1 and D56.CB other bump:2.49304 Ang R35.NH2 and D56.CB other bump:2.29806 Ang R35.CZ and D56.CA other bump:1.14076 Ang R35.NH1 and D56.CA other bump:2.93217 Ang R35.NH2 and D56.CA other bump:2.63445 Ang R35.CD and D56.N other bump:2.55354 Ang R35.NE and D56.N other bump:2.09864 Ang R35.CZ and D56.N other bump:1.33699 Ang R35.NH1 and D56.N other bump:3.18545 Ang R35.CD and G55.C other bump:3.17135 Ang R35.CZ and G55.C other bump:2.63715 Ang R35.NH1 and G55.C other bump:2.81019 Ang R35.CD and G55.CA other bump:2.14699 Ang R35.CD and G55.N other bump:2.63352 Ang R35.NE and G55.N other bump:2.81326 Ang R35.CD and L54.C other bump:2.57952 Ang R35.NE and L54.C other bump:3.17523 Ang R35.CZ and L54.C other bump:3.25774 Ang R35.CD and L54.CA other bump:2.82503 Ang R35.NE and L54.CA other bump:2.90475 Ang R35.NE and L54.N other bump:2.94121 Ang R35.NE and V53.CG1 other bump:2.44279 Ang R35.CZ and V53.CG1 other bump:1.38794 Ang R35.NH2 and V53.CG1 other bump:2.88696 Ang R35.NH2 and V53.CB other bump:3.02181 Ang F41.CZ and S51.OG other bump:1.91912 Ang F41.CE2 and S51.OG other bump:3.12275 Ang F41.CE2 and S51.CB other bump:3.05389 Ang V40.CG1 and L48.CD2 other bump:3.05969 Ang V40.CG1 and L48.CG other bump:2.57744 Ang V40.CG1 and L48.CB neighbor-bump: 2.26966 Ang V45.O and V46.CB neighbor-bump: 2.4873 Ang V45.C and V46.CB neighbor-bump: 2.16568 Ang A43.O and K44.CG other bump:2.70883 Ang R39.CZ and F41.CZ other bump:2.23963 Ang R39.NH1 and F41.CZ other bump:2.9978 Ang R39.CG and F41.CZ other bump:1.75499 Ang R39.CD and F41.CZ other bump:2.50674 Ang R39.NE and F41.CZ other bump:2.55274 Ang R39.CD and F41.CE2 other bump:1.42308 Ang R39.CZ and F41.CE1 other bump:1.16285 Ang R39.NH1 and F41.CE1 other bump:2.65404 Ang R39.NH2 and F41.CE1 other bump:1.96181 Ang R39.CD and F41.CE1 other bump:1.72819 Ang R39.NE and F41.CE1 other bump:1.89069 Ang R39.CZ and F41.CD1 other bump:2.05567 Ang R39.NH1 and F41.CD1 other bump:2.5831 Ang R39.NH2 and F41.CD1 other bump:2.8469 Ang R39.CD and F41.CD1 other bump:2.26777 Ang R39.NE and F41.CD1 T0187 119 :TSEDALKVLEKYGIETSESVKRAILQETP 1fxkC 89 :NFEDAMESIKSQKNELESTLQKMGENLRA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:1.85561 Ang L26.O and P30.CD other bump:2.99706 Ang L26.C and P30.CD other bump:1.84072 Ang I15.CG2 and E19.OE2 other bump:2.54914 Ang E16.CA and E19.OE1 other bump:1.04188 Ang I15.O and E19.OE1 other bump:1.77808 Ang I15.C and E19.OE1 other bump:2.7702 Ang I15.CG2 and E19.CD other bump:1.96873 Ang I15.O and E19.CD other bump:2.68694 Ang I15.C and E19.CD other bump:3.10835 Ang V9.CG1 and Y13.CE2 Number of specific fragments= 4 total=497 Number of alignments=110 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1fxkC read from T0187-1fxkC-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1fxkC in template set T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKG 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues Number of specific fragments= 1 total=498 Number of alignments=111 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1fxkC read from T0187-1fxkC-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1fxkC in template set T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKG 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues Number of specific fragments= 1 total=499 Number of alignments=112 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1fxkC read from T0187-1fxkC-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1fxkC in template set T0187 7 :TIKTTRRVLELVDQ 1fxkC 6 :ALAEIVAQLNIYQS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.04115 Ang I3.CB and R7.NH2 other bump:2.64035 Ang I3.CG1 and R7.NH2 other bump:0.757489 Ang I3.CG2 and R7.NH2 other bump:1.75915 Ang I3.CG1 and R7.NH1 other bump:2.69906 Ang I3.CG2 and R7.NH1 other bump:2.46343 Ang I3.CB and R7.CZ other bump:2.20943 Ang I3.CG1 and R7.CZ other bump:1.90215 Ang I3.CG2 and R7.CZ other bump:3.15699 Ang I3.CG1 and R7.NE other bump:2.87307 Ang I3.CG2 and R7.NE T0187 50 :EIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASGPAWPDSSTSEDALKVLEKYGIETSESVKRAILQ 1fxkC 20 :QVELIQQQMEAVRATISELEILEKTLSDIQGKDGSETLVPVGAGSFIKAELKDTSEVIMSVGAGVAIKKNFEDAMESIKSQKNELESTLQKMGEN Fragment has 88 clashes (null) has 88 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 97 residues other bump:1.92979 Ang R92.O and Q96.OE1 other bump:2.55381 Ang R92.C and Q96.OE1 other bump:2.6554 Ang A93.CA and Q96.OE1 other bump:2.77437 Ang L10.CD2 and A93.CB other bump:1.84072 Ang I84.CG2 and E88.OE2 other bump:2.54914 Ang E85.CA and E88.OE1 other bump:1.04188 Ang I84.O and E88.OE1 other bump:1.77808 Ang I84.C and E88.OE1 other bump:2.7702 Ang I84.CG2 and E88.CD other bump:1.96873 Ang I84.O and E88.CD other bump:2.68694 Ang I84.C and E88.CD other bump:3.10835 Ang V78.CG1 and Y82.CE2 other bump:2.73086 Ang R24.NH2 and E80.CA other bump:2.73901 Ang R24.NH2 and E80.N other bump:2.45117 Ang R24.NH2 and L79.C other bump:2.10305 Ang R24.NH2 and L79.O other bump:2.4318 Ang K31.NZ and S72.OG neighbor-bump: 1.95077 Ang W66.C and P67.CD neighbor-bump: 2.2607 Ang P64.O and A65.CB neighbor-bump: 2.49688 Ang P64.C and A65.CB neighbor-bump: 1.61885 Ang G63.C and P64.CD self-bump: 1.26161 Ang P64.N and P64.CD neighbor-bump: 1.99093 Ang G63.CA and P64.CD neighbor-bump: 2.62469 Ang G63.C and P64.CG self-bump: 2.11161 Ang P64.N and P64.CG neighbor-bump: 2.64778 Ang G63.C and P64.CB self-bump: 2.14854 Ang P64.N and P64.CB other bump:2.53257 Ang R34.NH1 and D55.C other bump:1.50672 Ang R34.CZ and D55.OD2 other bump:0.380494 Ang R34.NH2 and D55.OD2 other bump:1.60991 Ang V52.CG1 and D55.OD2 other bump:2.09217 Ang R34.NH2 and D55.OD1 other bump:2.17205 Ang V52.CG1 and D55.OD1 other bump:2.7124 Ang R34.NE and D55.CG other bump:1.55943 Ang R34.CZ and D55.CG other bump:1.26462 Ang R34.NH2 and D55.CG other bump:2.1322 Ang V52.CG1 and D55.CG other bump:2.08091 Ang R34.CZ and D55.CB other bump:1.23861 Ang R34.NH1 and D55.CB other bump:2.49304 Ang R34.NH2 and D55.CB other bump:2.29806 Ang R34.CZ and D55.CA other bump:1.14076 Ang R34.NH1 and D55.CA other bump:2.93217 Ang R34.NH2 and D55.CA other bump:2.63445 Ang R34.CD and D55.N other bump:2.55354 Ang R34.NE and D55.N other bump:2.09864 Ang R34.CZ and D55.N other bump:1.33699 Ang R34.NH1 and D55.N other bump:3.18545 Ang R34.CD and G54.C other bump:3.17135 Ang R34.CZ and G54.C other bump:2.63715 Ang R34.NH1 and G54.C other bump:2.81019 Ang R34.CD and G54.CA other bump:2.14699 Ang R34.CD and G54.N other bump:2.63352 Ang R34.NE and G54.N other bump:2.81326 Ang R34.CD and L53.C other bump:2.57952 Ang R34.NE and L53.C other bump:3.17523 Ang R34.CZ and L53.C other bump:3.25774 Ang R34.CD and L53.CA other bump:2.82503 Ang R34.NE and L53.CA other bump:2.90475 Ang R34.NE and L53.N other bump:2.94121 Ang R34.NE and V52.CG1 other bump:2.44279 Ang R34.CZ and V52.CG1 other bump:1.38794 Ang R34.NH2 and V52.CG1 other bump:2.88696 Ang R34.NH2 and V52.CB other bump:3.02181 Ang F40.CZ and S50.OG other bump:1.91912 Ang F40.CE2 and S50.OG other bump:3.12275 Ang F40.CE2 and S50.CB other bump:3.05389 Ang V39.CG1 and L47.CD2 other bump:3.05969 Ang V39.CG1 and L47.CG other bump:2.57744 Ang V39.CG1 and L47.CB neighbor-bump: 2.26966 Ang V44.O and V45.CB neighbor-bump: 2.4873 Ang V44.C and V45.CB neighbor-bump: 2.16568 Ang A42.O and K43.CG other bump:2.70883 Ang R38.CZ and F40.CZ other bump:2.23963 Ang R38.NH1 and F40.CZ other bump:2.9978 Ang R38.CG and F40.CZ other bump:1.75499 Ang R38.CD and F40.CZ other bump:2.50674 Ang R38.NE and F40.CZ other bump:2.55274 Ang R38.CD and F40.CE2 other bump:1.42308 Ang R38.CZ and F40.CE1 other bump:1.16285 Ang R38.NH1 and F40.CE1 other bump:2.65404 Ang R38.NH2 and F40.CE1 other bump:1.96181 Ang R38.CD and F40.CE1 other bump:1.72819 Ang R38.NE and F40.CE1 other bump:1.89069 Ang R38.CZ and F40.CD1 other bump:2.05567 Ang R38.NH1 and F40.CD1 other bump:2.5831 Ang R38.NH2 and F40.CD1 other bump:2.8469 Ang R38.CD and F40.CD1 other bump:2.26777 Ang R38.NE and F40.CD1 Number of specific fragments= 2 total=501 Number of alignments=113 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1fxkC read from T0187-1fxkC-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1fxkC in template set T0187 1 :PV 1fxkC 5 :AA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues self-bump: 1.33948 Ang P1.CA and P1.CB T0187 5 :ENTIKTTRRVLE 1fxkC 7 :LAEIVAQLNIYQ Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.26036 Ang I5.CB and R9.NH2 other bump:1.41721 Ang I5.CG2 and R9.NH2 other bump:2.12807 Ang I5.CG2 and R9.NH1 other bump:1.83705 Ang I5.CG2 and R9.CZ other bump:2.97192 Ang I5.CG2 and R9.NE other bump:2.85738 Ang E2.CG and K6.CE T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASGPAWPDSSTSEDALKVLEKYGIETSESVKRAILQETP 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQGKDGSETLVPVGAGSFIKAELKDTSEVIMSVGAGVAIKKNFEDAMESIKSQKNELESTLQKMGENLRA Fragment has 88 clashes (null) has 88 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 101 residues other bump:1.85561 Ang L96.O and P100.CD other bump:2.99706 Ang L96.C and P100.CD other bump:3.06198 Ang L11.CD1 and E98.OE2 other bump:2.77437 Ang L11.CD2 and A94.CB other bump:1.84072 Ang I85.CG2 and E89.OE2 other bump:2.54914 Ang E86.CA and E89.OE1 other bump:1.77808 Ang I85.C and E89.OE1 other bump:1.04188 Ang I85.O and E89.OE1 other bump:2.7702 Ang I85.CG2 and E89.CD other bump:2.68694 Ang I85.C and E89.CD other bump:1.96873 Ang I85.O and E89.CD other bump:3.10835 Ang V79.CG1 and Y83.CE2 other bump:2.73086 Ang R25.NH2 and E81.CA other bump:2.73901 Ang R25.NH2 and E81.N other bump:2.45117 Ang R25.NH2 and L80.C other bump:2.10305 Ang R25.NH2 and L80.O other bump:2.4318 Ang K32.NZ and S73.OG neighbor-bump: 1.95077 Ang W67.C and P68.CD neighbor-bump: 2.2607 Ang P65.O and A66.CB neighbor-bump: 2.49688 Ang P65.C and A66.CB neighbor-bump: 1.61885 Ang G64.C and P65.CD self-bump: 1.26161 Ang P65.N and P65.CD neighbor-bump: 1.99093 Ang G64.CA and P65.CD neighbor-bump: 2.62469 Ang G64.C and P65.CG self-bump: 2.11161 Ang P65.N and P65.CG neighbor-bump: 2.64778 Ang G64.C and P65.CB self-bump: 2.14854 Ang P65.N and P65.CB other bump:2.53257 Ang R35.NH1 and D56.C other bump:1.50672 Ang R35.CZ and D56.OD2 other bump:0.380494 Ang R35.NH2 and D56.OD2 other bump:1.60991 Ang V53.CG1 and D56.OD2 other bump:2.09217 Ang R35.NH2 and D56.OD1 other bump:2.17205 Ang V53.CG1 and D56.OD1 other bump:2.7124 Ang R35.NE and D56.CG other bump:1.55943 Ang R35.CZ and D56.CG other bump:1.26462 Ang R35.NH2 and D56.CG other bump:2.1322 Ang V53.CG1 and D56.CG other bump:2.08091 Ang R35.CZ and D56.CB other bump:1.23861 Ang R35.NH1 and D56.CB other bump:2.49304 Ang R35.NH2 and D56.CB other bump:2.29806 Ang R35.CZ and D56.CA other bump:1.14076 Ang R35.NH1 and D56.CA other bump:2.93217 Ang R35.NH2 and D56.CA other bump:2.63445 Ang R35.CD and D56.N other bump:2.55354 Ang R35.NE and D56.N other bump:2.09864 Ang R35.CZ and D56.N other bump:1.33699 Ang R35.NH1 and D56.N other bump:3.18545 Ang R35.CD and G55.C other bump:3.17135 Ang R35.CZ and G55.C other bump:2.63715 Ang R35.NH1 and G55.C other bump:2.81019 Ang R35.CD and G55.CA other bump:2.14699 Ang R35.CD and G55.N other bump:2.63352 Ang R35.NE and G55.N other bump:2.81326 Ang R35.CD and L54.C other bump:2.57952 Ang R35.NE and L54.C other bump:3.17523 Ang R35.CZ and L54.C other bump:3.25774 Ang R35.CD and L54.CA other bump:2.82503 Ang R35.NE and L54.CA other bump:2.90475 Ang R35.NE and L54.N other bump:2.94121 Ang R35.NE and V53.CG1 other bump:2.44279 Ang R35.CZ and V53.CG1 other bump:1.38794 Ang R35.NH2 and V53.CG1 other bump:2.88696 Ang R35.NH2 and V53.CB other bump:3.02181 Ang F41.CZ and S51.OG other bump:1.91912 Ang F41.CE2 and S51.OG other bump:3.12275 Ang F41.CE2 and S51.CB other bump:3.05389 Ang V40.CG1 and L48.CD2 other bump:3.05969 Ang V40.CG1 and L48.CG other bump:2.57744 Ang V40.CG1 and L48.CB neighbor-bump: 2.26966 Ang V45.O and V46.CB neighbor-bump: 2.4873 Ang V45.C and V46.CB neighbor-bump: 2.16568 Ang A43.O and K44.CG other bump:2.70883 Ang R39.CZ and F41.CZ other bump:2.23963 Ang R39.NH1 and F41.CZ other bump:2.9978 Ang R39.CG and F41.CZ other bump:1.75499 Ang R39.CD and F41.CZ other bump:2.50674 Ang R39.NE and F41.CZ other bump:2.55274 Ang R39.CD and F41.CE2 other bump:1.42308 Ang R39.CZ and F41.CE1 other bump:1.16285 Ang R39.NH1 and F41.CE1 other bump:2.65404 Ang R39.NH2 and F41.CE1 other bump:1.96181 Ang R39.CD and F41.CE1 other bump:1.72819 Ang R39.NE and F41.CE1 other bump:1.89069 Ang R39.CZ and F41.CD1 other bump:2.05567 Ang R39.NH1 and F41.CD1 other bump:2.5831 Ang R39.NH2 and F41.CD1 other bump:2.8469 Ang R39.CD and F41.CD1 other bump:2.26777 Ang R39.NE and F41.CD1 Number of specific fragments= 3 total=504 Number of alignments=114 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1fxkC read from T0187-1fxkC-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1fxkC in template set T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASGPAWPDSSTSEDALKVLEKYGIETSESVKRAILQ 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQGKDGSETLVPVGAGSFIKAELKDTSEVIMSVGAGVAIKKNFEDAMESIKSQKNELESTLQKMGEN Fragment has 88 clashes (null) has 88 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 98 residues other bump:1.92979 Ang R93.O and Q97.OE1 other bump:2.55381 Ang R93.C and Q97.OE1 other bump:2.6554 Ang A94.CA and Q97.OE1 other bump:2.77437 Ang L11.CD2 and A94.CB other bump:1.84072 Ang I85.CG2 and E89.OE2 other bump:2.54914 Ang E86.CA and E89.OE1 other bump:1.77808 Ang I85.C and E89.OE1 other bump:1.04188 Ang I85.O and E89.OE1 other bump:2.7702 Ang I85.CG2 and E89.CD other bump:2.68694 Ang I85.C and E89.CD other bump:1.96873 Ang I85.O and E89.CD other bump:3.10835 Ang V79.CG1 and Y83.CE2 other bump:2.73086 Ang R25.NH2 and E81.CA other bump:2.73901 Ang R25.NH2 and E81.N other bump:2.45117 Ang R25.NH2 and L80.C other bump:2.10305 Ang R25.NH2 and L80.O other bump:2.4318 Ang K32.NZ and S73.OG neighbor-bump: 1.95077 Ang W67.C and P68.CD neighbor-bump: 2.2607 Ang P65.O and A66.CB neighbor-bump: 2.49688 Ang P65.C and A66.CB neighbor-bump: 1.61885 Ang G64.C and P65.CD self-bump: 1.26161 Ang P65.N and P65.CD neighbor-bump: 1.99093 Ang G64.CA and P65.CD neighbor-bump: 2.62469 Ang G64.C and P65.CG self-bump: 2.11161 Ang P65.N and P65.CG neighbor-bump: 2.64778 Ang G64.C and P65.CB self-bump: 2.14854 Ang P65.N and P65.CB other bump:2.53257 Ang R35.NH1 and D56.C other bump:1.50672 Ang R35.CZ and D56.OD2 other bump:0.380494 Ang R35.NH2 and D56.OD2 other bump:1.60991 Ang V53.CG1 and D56.OD2 other bump:2.09217 Ang R35.NH2 and D56.OD1 other bump:2.17205 Ang V53.CG1 and D56.OD1 other bump:2.7124 Ang R35.NE and D56.CG other bump:1.55943 Ang R35.CZ and D56.CG other bump:1.26462 Ang R35.NH2 and D56.CG other bump:2.1322 Ang V53.CG1 and D56.CG other bump:2.08091 Ang R35.CZ and D56.CB other bump:1.23861 Ang R35.NH1 and D56.CB other bump:2.49304 Ang R35.NH2 and D56.CB other bump:2.29806 Ang R35.CZ and D56.CA other bump:1.14076 Ang R35.NH1 and D56.CA other bump:2.93217 Ang R35.NH2 and D56.CA other bump:2.63445 Ang R35.CD and D56.N other bump:2.55354 Ang R35.NE and D56.N other bump:2.09864 Ang R35.CZ and D56.N other bump:1.33699 Ang R35.NH1 and D56.N other bump:3.18545 Ang R35.CD and G55.C other bump:3.17135 Ang R35.CZ and G55.C other bump:2.63715 Ang R35.NH1 and G55.C other bump:2.81019 Ang R35.CD and G55.CA other bump:2.14699 Ang R35.CD and G55.N other bump:2.63352 Ang R35.NE and G55.N other bump:2.81326 Ang R35.CD and L54.C other bump:2.57952 Ang R35.NE and L54.C other bump:3.17523 Ang R35.CZ and L54.C other bump:3.25774 Ang R35.CD and L54.CA other bump:2.82503 Ang R35.NE and L54.CA other bump:2.90475 Ang R35.NE and L54.N other bump:2.94121 Ang R35.NE and V53.CG1 other bump:2.44279 Ang R35.CZ and V53.CG1 other bump:1.38794 Ang R35.NH2 and V53.CG1 other bump:2.88696 Ang R35.NH2 and V53.CB other bump:3.02181 Ang F41.CZ and S51.OG other bump:1.91912 Ang F41.CE2 and S51.OG other bump:3.12275 Ang F41.CE2 and S51.CB other bump:3.05389 Ang V40.CG1 and L48.CD2 other bump:3.05969 Ang V40.CG1 and L48.CG other bump:2.57744 Ang V40.CG1 and L48.CB neighbor-bump: 2.26966 Ang V45.O and V46.CB neighbor-bump: 2.4873 Ang V45.C and V46.CB neighbor-bump: 2.16568 Ang A43.O and K44.CG other bump:2.70883 Ang R39.CZ and F41.CZ other bump:2.23963 Ang R39.NH1 and F41.CZ other bump:2.9978 Ang R39.CG and F41.CZ other bump:1.75499 Ang R39.CD and F41.CZ other bump:2.50674 Ang R39.NE and F41.CZ other bump:2.55274 Ang R39.CD and F41.CE2 other bump:1.42308 Ang R39.CZ and F41.CE1 other bump:1.16285 Ang R39.NH1 and F41.CE1 other bump:2.65404 Ang R39.NH2 and F41.CE1 other bump:1.96181 Ang R39.CD and F41.CE1 other bump:1.72819 Ang R39.NE and F41.CE1 other bump:1.89069 Ang R39.CZ and F41.CD1 other bump:2.05567 Ang R39.NH1 and F41.CD1 other bump:2.5831 Ang R39.NH2 and F41.CD1 other bump:2.8469 Ang R39.CD and F41.CD1 other bump:2.26777 Ang R39.NE and F41.CD1 Number of specific fragments= 1 total=505 Number of alignments=115 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1fxkC read from T0187-1fxkC-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1fxkC in template set T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASGPAWPDSSTSEDALKVLEKYGIETSESVKRAILQ 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQGKDGSETLVPVGAGSFIKAELKDTSEVIMSVGAGVAIKKNFEDAMESIKSQKNELESTLQKMGEN Fragment has 88 clashes (null) has 88 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 98 residues other bump:1.92979 Ang R93.O and Q97.OE1 other bump:2.55381 Ang R93.C and Q97.OE1 other bump:2.6554 Ang A94.CA and Q97.OE1 other bump:2.77437 Ang L11.CD2 and A94.CB other bump:1.84072 Ang I85.CG2 and E89.OE2 other bump:2.54914 Ang E86.CA and E89.OE1 other bump:1.77808 Ang I85.C and E89.OE1 other bump:1.04188 Ang I85.O and E89.OE1 other bump:2.7702 Ang I85.CG2 and E89.CD other bump:2.68694 Ang I85.C and E89.CD other bump:1.96873 Ang I85.O and E89.CD other bump:3.10835 Ang V79.CG1 and Y83.CE2 other bump:2.73086 Ang R25.NH2 and E81.CA other bump:2.73901 Ang R25.NH2 and E81.N other bump:2.45117 Ang R25.NH2 and L80.C other bump:2.10305 Ang R25.NH2 and L80.O other bump:2.4318 Ang K32.NZ and S73.OG neighbor-bump: 1.95077 Ang W67.C and P68.CD neighbor-bump: 2.2607 Ang P65.O and A66.CB neighbor-bump: 2.49688 Ang P65.C and A66.CB neighbor-bump: 1.61885 Ang G64.C and P65.CD self-bump: 1.26161 Ang P65.N and P65.CD neighbor-bump: 1.99093 Ang G64.CA and P65.CD neighbor-bump: 2.62469 Ang G64.C and P65.CG self-bump: 2.11161 Ang P65.N and P65.CG neighbor-bump: 2.64778 Ang G64.C and P65.CB self-bump: 2.14854 Ang P65.N and P65.CB other bump:2.53257 Ang R35.NH1 and D56.C other bump:1.50672 Ang R35.CZ and D56.OD2 other bump:0.380494 Ang R35.NH2 and D56.OD2 other bump:1.60991 Ang V53.CG1 and D56.OD2 other bump:2.09217 Ang R35.NH2 and D56.OD1 other bump:2.17205 Ang V53.CG1 and D56.OD1 other bump:2.7124 Ang R35.NE and D56.CG other bump:1.55943 Ang R35.CZ and D56.CG other bump:1.26462 Ang R35.NH2 and D56.CG other bump:2.1322 Ang V53.CG1 and D56.CG other bump:2.08091 Ang R35.CZ and D56.CB other bump:1.23861 Ang R35.NH1 and D56.CB other bump:2.49304 Ang R35.NH2 and D56.CB other bump:2.29806 Ang R35.CZ and D56.CA other bump:1.14076 Ang R35.NH1 and D56.CA other bump:2.93217 Ang R35.NH2 and D56.CA other bump:2.63445 Ang R35.CD and D56.N other bump:2.55354 Ang R35.NE and D56.N other bump:2.09864 Ang R35.CZ and D56.N other bump:1.33699 Ang R35.NH1 and D56.N other bump:3.18545 Ang R35.CD and G55.C other bump:3.17135 Ang R35.CZ and G55.C other bump:2.63715 Ang R35.NH1 and G55.C other bump:2.81019 Ang R35.CD and G55.CA other bump:2.14699 Ang R35.CD and G55.N other bump:2.63352 Ang R35.NE and G55.N other bump:2.81326 Ang R35.CD and L54.C other bump:2.57952 Ang R35.NE and L54.C other bump:3.17523 Ang R35.CZ and L54.C other bump:3.25774 Ang R35.CD and L54.CA other bump:2.82503 Ang R35.NE and L54.CA other bump:2.90475 Ang R35.NE and L54.N other bump:2.94121 Ang R35.NE and V53.CG1 other bump:2.44279 Ang R35.CZ and V53.CG1 other bump:1.38794 Ang R35.NH2 and V53.CG1 other bump:2.88696 Ang R35.NH2 and V53.CB other bump:3.02181 Ang F41.CZ and S51.OG other bump:1.91912 Ang F41.CE2 and S51.OG other bump:3.12275 Ang F41.CE2 and S51.CB other bump:3.05389 Ang V40.CG1 and L48.CD2 other bump:3.05969 Ang V40.CG1 and L48.CG other bump:2.57744 Ang V40.CG1 and L48.CB neighbor-bump: 2.26966 Ang V45.O and V46.CB neighbor-bump: 2.4873 Ang V45.C and V46.CB neighbor-bump: 2.16568 Ang A43.O and K44.CG other bump:2.70883 Ang R39.CZ and F41.CZ other bump:2.23963 Ang R39.NH1 and F41.CZ other bump:2.9978 Ang R39.CG and F41.CZ other bump:1.75499 Ang R39.CD and F41.CZ other bump:2.50674 Ang R39.NE and F41.CZ other bump:2.55274 Ang R39.CD and F41.CE2 other bump:1.42308 Ang R39.CZ and F41.CE1 other bump:1.16285 Ang R39.NH1 and F41.CE1 other bump:2.65404 Ang R39.NH2 and F41.CE1 other bump:1.96181 Ang R39.CD and F41.CE1 other bump:1.72819 Ang R39.NE and F41.CE1 other bump:1.89069 Ang R39.CZ and F41.CD1 other bump:2.05567 Ang R39.NH1 and F41.CD1 other bump:2.5831 Ang R39.NH2 and F41.CD1 other bump:2.8469 Ang R39.CD and F41.CD1 other bump:2.26777 Ang R39.NE and F41.CD1 Number of specific fragments= 1 total=506 Number of alignments=116 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1fxkC read from T0187-1fxkC-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1fxkC in template set T0187 1 :PV 1fxkC 5 :AA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues self-bump: 1.33948 Ang P1.CA and P1.CB T0187 5 :ENTIKTTRRVLE 1fxkC 7 :LAEIVAQLNIYQ Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.26036 Ang I5.CB and R9.NH2 other bump:1.41721 Ang I5.CG2 and R9.NH2 other bump:2.12807 Ang I5.CG2 and R9.NH1 other bump:1.83705 Ang I5.CG2 and R9.CZ other bump:2.97192 Ang I5.CG2 and R9.NE other bump:2.85738 Ang E2.CG and K6.CE T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASGPAWPDSSTSEDALKVLEKYGIETSESVKRAILQETP 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQGKDGSETLVPVGAGSFIKAELKDTSEVIMSVGAGVAIKKNFEDAMESIKSQKNELESTLQKMGENLRA Fragment has 88 clashes (null) has 88 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 101 residues other bump:1.85561 Ang L96.O and P100.CD other bump:2.99706 Ang L96.C and P100.CD other bump:3.06198 Ang L11.CD1 and E98.OE2 other bump:2.77437 Ang L11.CD2 and A94.CB other bump:1.84072 Ang I85.CG2 and E89.OE2 other bump:2.54914 Ang E86.CA and E89.OE1 other bump:1.77808 Ang I85.C and E89.OE1 other bump:1.04188 Ang I85.O and E89.OE1 other bump:2.7702 Ang I85.CG2 and E89.CD other bump:2.68694 Ang I85.C and E89.CD other bump:1.96873 Ang I85.O and E89.CD other bump:3.10835 Ang V79.CG1 and Y83.CE2 other bump:2.73086 Ang R25.NH2 and E81.CA other bump:2.73901 Ang R25.NH2 and E81.N other bump:2.45117 Ang R25.NH2 and L80.C other bump:2.10305 Ang R25.NH2 and L80.O other bump:2.4318 Ang K32.NZ and S73.OG neighbor-bump: 1.95077 Ang W67.C and P68.CD neighbor-bump: 2.2607 Ang P65.O and A66.CB neighbor-bump: 2.49688 Ang P65.C and A66.CB neighbor-bump: 1.61885 Ang G64.C and P65.CD self-bump: 1.26161 Ang P65.N and P65.CD neighbor-bump: 1.99093 Ang G64.CA and P65.CD neighbor-bump: 2.62469 Ang G64.C and P65.CG self-bump: 2.11161 Ang P65.N and P65.CG neighbor-bump: 2.64778 Ang G64.C and P65.CB self-bump: 2.14854 Ang P65.N and P65.CB other bump:2.53257 Ang R35.NH1 and D56.C other bump:1.50672 Ang R35.CZ and D56.OD2 other bump:0.380494 Ang R35.NH2 and D56.OD2 other bump:1.60991 Ang V53.CG1 and D56.OD2 other bump:2.09217 Ang R35.NH2 and D56.OD1 other bump:2.17205 Ang V53.CG1 and D56.OD1 other bump:2.7124 Ang R35.NE and D56.CG other bump:1.55943 Ang R35.CZ and D56.CG other bump:1.26462 Ang R35.NH2 and D56.CG other bump:2.1322 Ang V53.CG1 and D56.CG other bump:2.08091 Ang R35.CZ and D56.CB other bump:1.23861 Ang R35.NH1 and D56.CB other bump:2.49304 Ang R35.NH2 and D56.CB other bump:2.29806 Ang R35.CZ and D56.CA other bump:1.14076 Ang R35.NH1 and D56.CA other bump:2.93217 Ang R35.NH2 and D56.CA other bump:2.63445 Ang R35.CD and D56.N other bump:2.55354 Ang R35.NE and D56.N other bump:2.09864 Ang R35.CZ and D56.N other bump:1.33699 Ang R35.NH1 and D56.N other bump:3.18545 Ang R35.CD and G55.C other bump:3.17135 Ang R35.CZ and G55.C other bump:2.63715 Ang R35.NH1 and G55.C other bump:2.81019 Ang R35.CD and G55.CA other bump:2.14699 Ang R35.CD and G55.N other bump:2.63352 Ang R35.NE and G55.N other bump:2.81326 Ang R35.CD and L54.C other bump:2.57952 Ang R35.NE and L54.C other bump:3.17523 Ang R35.CZ and L54.C other bump:3.25774 Ang R35.CD and L54.CA other bump:2.82503 Ang R35.NE and L54.CA other bump:2.90475 Ang R35.NE and L54.N other bump:2.94121 Ang R35.NE and V53.CG1 other bump:2.44279 Ang R35.CZ and V53.CG1 other bump:1.38794 Ang R35.NH2 and V53.CG1 other bump:2.88696 Ang R35.NH2 and V53.CB other bump:3.02181 Ang F41.CZ and S51.OG other bump:1.91912 Ang F41.CE2 and S51.OG other bump:3.12275 Ang F41.CE2 and S51.CB other bump:3.05389 Ang V40.CG1 and L48.CD2 other bump:3.05969 Ang V40.CG1 and L48.CG other bump:2.57744 Ang V40.CG1 and L48.CB neighbor-bump: 2.26966 Ang V45.O and V46.CB neighbor-bump: 2.4873 Ang V45.C and V46.CB neighbor-bump: 2.16568 Ang A43.O and K44.CG other bump:2.70883 Ang R39.CZ and F41.CZ other bump:2.23963 Ang R39.NH1 and F41.CZ other bump:2.9978 Ang R39.CG and F41.CZ other bump:1.75499 Ang R39.CD and F41.CZ other bump:2.50674 Ang R39.NE and F41.CZ other bump:2.55274 Ang R39.CD and F41.CE2 other bump:1.42308 Ang R39.CZ and F41.CE1 other bump:1.16285 Ang R39.NH1 and F41.CE1 other bump:2.65404 Ang R39.NH2 and F41.CE1 other bump:1.96181 Ang R39.CD and F41.CE1 other bump:1.72819 Ang R39.NE and F41.CE1 other bump:1.89069 Ang R39.CZ and F41.CD1 other bump:2.05567 Ang R39.NH1 and F41.CD1 other bump:2.5831 Ang R39.NH2 and F41.CD1 other bump:2.8469 Ang R39.CD and F41.CD1 other bump:2.26777 Ang R39.NE and F41.CD1 Number of specific fragments= 3 total=509 Number of alignments=117 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1fxkC read from T0187-1fxkC-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1fxkC in template set T0187 1 :PV 1fxkC 5 :AA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues self-bump: 1.33948 Ang P1.CA and P1.CB T0187 5 :ENTIKTTRRVLE 1fxkC 7 :LAEIVAQLNIYQ Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.26036 Ang I5.CB and R9.NH2 other bump:1.41721 Ang I5.CG2 and R9.NH2 other bump:2.12807 Ang I5.CG2 and R9.NH1 other bump:1.83705 Ang I5.CG2 and R9.CZ other bump:2.97192 Ang I5.CG2 and R9.NE other bump:2.85738 Ang E2.CG and K6.CE T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKG 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues T0187 90 :AKVVA 1fxkC 63 :GSFIK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.3007 Ang G1.O and A2.CB neighbor-bump: 2.49272 Ang G1.C and A2.CB T0187 113 :AWPDSS 1fxkC 69 :ELKDTS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 119 :TSEDALKVLEKYGIETSESVKRAILQETP 1fxkC 89 :NFEDAMESIKSQKNELESTLQKMGENLRA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:1.85561 Ang L26.O and P30.CD other bump:2.99706 Ang L26.C and P30.CD other bump:1.84072 Ang I15.CG2 and E19.OE2 other bump:2.54914 Ang E16.CA and E19.OE1 other bump:1.04188 Ang I15.O and E19.OE1 other bump:1.77808 Ang I15.C and E19.OE1 other bump:2.7702 Ang I15.CG2 and E19.CD other bump:1.96873 Ang I15.O and E19.CD other bump:2.68694 Ang I15.C and E19.CD other bump:3.10835 Ang V9.CG1 and Y13.CE2 Number of specific fragments= 6 total=515 Number of alignments=118 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1fxkC read from T0187-1fxkC-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1fxkC in template set T0187 1 :PV 1fxkC 5 :AA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues self-bump: 1.33948 Ang P1.CA and P1.CB T0187 5 :ENTIKTTRRVLELV 1fxkC 7 :LAEIVAQLNIYQSQ Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.26036 Ang I5.CB and R9.NH2 other bump:1.41721 Ang I5.CG2 and R9.NH2 other bump:2.12807 Ang I5.CG2 and R9.NH1 other bump:1.83705 Ang I5.CG2 and R9.CZ other bump:2.97192 Ang I5.CG2 and R9.NE other bump:2.85738 Ang E2.CG and K6.CE T0187 48 :LEEIQKLTSALLK 1fxkC 21 :VELIQQQMEAVRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 64 :SIEEINTVRKHLSQVKGG 1fxkC 34 :TISELEILEKTLSDIQGK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 88 :FPA 1fxkC 52 :DGS Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.12122 Ang F2.CB and P3.CD neighbor-bump: 1.61683 Ang F2.CA and P3.CD neighbor-bump: 1.77358 Ang F2.O and P3.CD neighbor-bump: 0.835793 Ang F2.C and P3.CD self-bump: 1.32727 Ang P3.N and P3.CD neighbor-bump: 2.99496 Ang F2.CB and P3.CG neighbor-bump: 2.97095 Ang F2.CA and P3.CG neighbor-bump: 1.90866 Ang F2.O and P3.CG neighbor-bump: 1.92157 Ang F2.C and P3.CG self-bump: 2.19023 Ang P3.N and P3.CG neighbor-bump: 1.98088 Ang F2.O and P3.CB neighbor-bump: 2.34708 Ang F2.C and P3.CB T0187 101 :LG 1fxkC 62 :AG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 114 :WPDSS 1fxkC 70 :LKDTS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 119 :TSEDALKVLEKY 1fxkC 111 :MGENLRAITDIM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.88845 Ang V9.CG2 and Y13.CE2 T0187 136 :ESVKRAILQETPKH 1fxkC 123 :MKLSPQAEELLAAV Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.68999 Ang T12.CB and H15.CE1 other bump:2.05383 Ang T12.CA and H15.CE1 other bump:2.51663 Ang T12.CG2 and H15.CE1 other bump:2.1431 Ang T12.O and H15.CE1 other bump:2.40349 Ang T12.C and H15.CE1 other bump:2.42464 Ang T12.CA and H15.ND1 other bump:2.32137 Ang T12.O and H15.ND1 other bump:2.62715 Ang T12.C and H15.ND1 neighbor-bump: 2.5536 Ang T12.N and P13.CD other bump:2.8076 Ang Q10.C and P13.CD other bump:3.11352 Ang Q10.CA and P13.CD other bump:1.94241 Ang L9.O and P13.CD other bump:2.85996 Ang L9.C and P13.CD other bump:2.77892 Ang Q10.C and P13.CG other bump:2.73614 Ang Q10.CA and P13.CG other bump:2.4218 Ang L9.O and P13.CG Number of specific fragments= 9 total=524 Number of alignments=119 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1fxkC read from T0187-1fxkC-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1fxkC in template set T0187 1 :PV 1fxkC 5 :AA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues self-bump: 1.33948 Ang P1.CA and P1.CB T0187 5 :ENTIKTTRRVLELV 1fxkC 7 :LAEIVAQLNIYQSQ Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.26036 Ang I5.CB and R9.NH2 other bump:1.41721 Ang I5.CG2 and R9.NH2 other bump:2.12807 Ang I5.CG2 and R9.NH1 other bump:1.83705 Ang I5.CG2 and R9.CZ other bump:2.97192 Ang I5.CG2 and R9.NE other bump:2.85738 Ang E2.CG and K6.CE T0187 48 :LEEIQKLTSALLK 1fxkC 21 :VELIQQQMEAVRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 64 :SIEEINTVRKHLSQVKGG 1fxkC 34 :TISELEILEKTLSDIQGK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 88 :FPA 1fxkC 52 :DGS Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.12122 Ang F2.CB and P3.CD neighbor-bump: 1.61683 Ang F2.CA and P3.CD neighbor-bump: 1.77358 Ang F2.O and P3.CD neighbor-bump: 0.835793 Ang F2.C and P3.CD self-bump: 1.32727 Ang P3.N and P3.CD neighbor-bump: 2.99496 Ang F2.CB and P3.CG neighbor-bump: 2.97095 Ang F2.CA and P3.CG neighbor-bump: 1.90866 Ang F2.O and P3.CG neighbor-bump: 1.92157 Ang F2.C and P3.CG self-bump: 2.19023 Ang P3.N and P3.CG neighbor-bump: 1.98088 Ang F2.O and P3.CB neighbor-bump: 2.34708 Ang F2.C and P3.CB T0187 98 :SDVL 1fxkC 71 :KDTS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 105 :LDVIAS 1fxkC 94 :MESIKS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 119 :TSEDALKVLEKY 1fxkC 111 :MGENLRAITDIM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.88845 Ang V9.CG2 and Y13.CE2 T0187 136 :ESVKRAILQETPKH 1fxkC 123 :MKLSPQAEELLAAV Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.68999 Ang T12.CB and H15.CE1 other bump:2.05383 Ang T12.CA and H15.CE1 other bump:2.51663 Ang T12.CG2 and H15.CE1 other bump:2.1431 Ang T12.O and H15.CE1 other bump:2.40349 Ang T12.C and H15.CE1 other bump:2.42464 Ang T12.CA and H15.ND1 other bump:2.32137 Ang T12.O and H15.ND1 other bump:2.62715 Ang T12.C and H15.ND1 neighbor-bump: 2.5536 Ang T12.N and P13.CD other bump:2.8076 Ang Q10.C and P13.CD other bump:3.11352 Ang Q10.CA and P13.CD other bump:1.94241 Ang L9.O and P13.CD other bump:2.85996 Ang L9.C and P13.CD other bump:2.77892 Ang Q10.C and P13.CG other bump:2.73614 Ang Q10.CA and P13.CG other bump:2.4218 Ang L9.O and P13.CG Number of specific fragments= 9 total=533 Number of alignments=120 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1fxkC read from T0187-1fxkC-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1fxkC in template set T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKG 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues Number of specific fragments= 1 total=534 Number of alignments=121 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1fxkC read from T0187-1fxkC-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1fxkC in template set T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKG 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues Number of specific fragments= 1 total=535 Number of alignments=122 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1fxkC read from T0187-1fxkC-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1fxkC in template set T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKG 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues Number of specific fragments= 1 total=536 Number of alignments=123 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1fxkC read from T0187-1fxkC-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1fxkC in template set T0187 49 :EEIQKLTSALLKSGASIEEINTVRKHLSQVKG 1fxkC 19 :SQVELIQQQMEAVRATISELEILEKTLSDIQG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues Number of specific fragments= 1 total=537 Number of alignments=124 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-local-adpstyle1.pw.a2m.gz # 1fxkC read from T0187-1fxkC-local-adpstyle1.pw.a2m.gz # found chain 1fxkC in template set T0187 45 :GVSLEEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASGPAWPDSSTSEDALKVLEKYGIETSESVKRAILQ 1fxkC 15 :NIYQSQVELIQQQMEAVRATISELEILEKTLSDIQGKDGSETLVPVGAGSFIKAELKDTSEVIMSVGAGVAIKKNFEDAMESIKSQKNELESTLQKMGEN Fragment has 88 clashes (null) has 88 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 102 residues other bump:2.55381 Ang R97.C and Q101.OE1 other bump:1.92979 Ang R97.O and Q101.OE1 other bump:2.6554 Ang A98.CA and Q101.OE1 other bump:2.77437 Ang L15.CD2 and A98.CB other bump:1.84072 Ang I89.CG2 and E93.OE2 other bump:2.54914 Ang E90.CA and E93.OE1 other bump:1.04188 Ang I89.O and E93.OE1 other bump:1.77808 Ang I89.C and E93.OE1 other bump:2.7702 Ang I89.CG2 and E93.CD other bump:1.96873 Ang I89.O and E93.CD other bump:2.68694 Ang I89.C and E93.CD other bump:3.10835 Ang V83.CG1 and Y87.CE2 other bump:2.73086 Ang R29.NH2 and E85.CA other bump:2.73901 Ang R29.NH2 and E85.N other bump:2.45117 Ang R29.NH2 and L84.C other bump:2.10305 Ang R29.NH2 and L84.O other bump:2.4318 Ang K36.NZ and S77.OG neighbor-bump: 1.95077 Ang W71.C and P72.CD neighbor-bump: 2.2607 Ang P69.O and A70.CB neighbor-bump: 2.49688 Ang P69.C and A70.CB neighbor-bump: 1.61885 Ang G68.C and P69.CD self-bump: 1.26161 Ang P69.N and P69.CD neighbor-bump: 1.99093 Ang G68.CA and P69.CD neighbor-bump: 2.62469 Ang G68.C and P69.CG self-bump: 2.11161 Ang P69.N and P69.CG neighbor-bump: 2.64778 Ang G68.C and P69.CB self-bump: 2.14854 Ang P69.N and P69.CB other bump:2.53257 Ang R39.NH1 and D60.C other bump:1.50672 Ang R39.CZ and D60.OD2 other bump:0.380494 Ang R39.NH2 and D60.OD2 other bump:1.60991 Ang V57.CG1 and D60.OD2 other bump:2.09217 Ang R39.NH2 and D60.OD1 other bump:2.17205 Ang V57.CG1 and D60.OD1 other bump:2.7124 Ang R39.NE and D60.CG other bump:1.55943 Ang R39.CZ and D60.CG other bump:1.26462 Ang R39.NH2 and D60.CG other bump:2.1322 Ang V57.CG1 and D60.CG other bump:2.08091 Ang R39.CZ and D60.CB other bump:1.23861 Ang R39.NH1 and D60.CB other bump:2.49304 Ang R39.NH2 and D60.CB other bump:2.29806 Ang R39.CZ and D60.CA other bump:1.14076 Ang R39.NH1 and D60.CA other bump:2.93217 Ang R39.NH2 and D60.CA other bump:2.63445 Ang R39.CD and D60.N other bump:2.55354 Ang R39.NE and D60.N other bump:2.09864 Ang R39.CZ and D60.N other bump:1.33699 Ang R39.NH1 and D60.N other bump:3.18545 Ang R39.CD and G59.C other bump:3.17135 Ang R39.CZ and G59.C other bump:2.63715 Ang R39.NH1 and G59.C other bump:2.81019 Ang R39.CD and G59.CA other bump:2.14699 Ang R39.CD and G59.N other bump:2.63352 Ang R39.NE and G59.N other bump:2.81326 Ang R39.CD and L58.C other bump:2.57952 Ang R39.NE and L58.C other bump:3.17523 Ang R39.CZ and L58.C other bump:3.25774 Ang R39.CD and L58.CA other bump:2.82503 Ang R39.NE and L58.CA other bump:2.90475 Ang R39.NE and L58.N other bump:2.94121 Ang R39.NE and V57.CG1 other bump:2.44279 Ang R39.CZ and V57.CG1 other bump:1.38794 Ang R39.NH2 and V57.CG1 other bump:2.88696 Ang R39.NH2 and V57.CB other bump:3.02181 Ang F45.CZ and S55.OG other bump:1.91912 Ang F45.CE2 and S55.OG other bump:3.12275 Ang F45.CE2 and S55.CB other bump:3.05389 Ang V44.CG1 and L52.CD2 other bump:3.05969 Ang V44.CG1 and L52.CG other bump:2.57744 Ang V44.CG1 and L52.CB neighbor-bump: 2.26966 Ang V49.O and V50.CB neighbor-bump: 2.4873 Ang V49.C and V50.CB neighbor-bump: 2.16568 Ang A47.O and K48.CG other bump:2.70883 Ang R43.CZ and F45.CZ other bump:2.23963 Ang R43.NH1 and F45.CZ other bump:2.9978 Ang R43.CG and F45.CZ other bump:1.75499 Ang R43.CD and F45.CZ other bump:2.50674 Ang R43.NE and F45.CZ other bump:2.55274 Ang R43.CD and F45.CE2 other bump:1.42308 Ang R43.CZ and F45.CE1 other bump:1.16285 Ang R43.NH1 and F45.CE1 other bump:2.65404 Ang R43.NH2 and F45.CE1 other bump:1.96181 Ang R43.CD and F45.CE1 other bump:1.72819 Ang R43.NE and F45.CE1 other bump:1.89069 Ang R43.CZ and F45.CD1 other bump:2.05567 Ang R43.NH1 and F45.CD1 other bump:2.5831 Ang R43.NH2 and F45.CD1 other bump:2.8469 Ang R43.CD and F45.CD1 other bump:2.26777 Ang R43.NE and F45.CD1 Number of specific fragments= 1 total=538 Number of alignments=125 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-local-adpstyle5.pw.a2m.gz # 1fxkC read from T0187-1fxkC-local-adpstyle5.pw.a2m.gz # found chain 1fxkC in template set T0187 45 :GVSLEEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASGPAWPDSSTSEDALKVLEKYGIETSESVKRA 1fxkC 15 :NIYQSQVELIQQQMEAVRATISELEILEKTLSDIQGKDGSETLVPVGAGSFIKAELKDTSEVIMSVGAGVAIKKNFEDAMESIKSQKNELESTLQKM Fragment has 85 clashes (null) has 85 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 99 residues other bump:2.77437 Ang L15.CD2 and A98.CB other bump:1.84072 Ang I89.CG2 and E93.OE2 other bump:2.54914 Ang E90.CA and E93.OE1 other bump:1.04188 Ang I89.O and E93.OE1 other bump:1.77808 Ang I89.C and E93.OE1 other bump:2.7702 Ang I89.CG2 and E93.CD other bump:1.96873 Ang I89.O and E93.CD other bump:2.68694 Ang I89.C and E93.CD other bump:3.10835 Ang V83.CG1 and Y87.CE2 other bump:2.73086 Ang R29.NH2 and E85.CA other bump:2.73901 Ang R29.NH2 and E85.N other bump:2.45117 Ang R29.NH2 and L84.C other bump:2.10305 Ang R29.NH2 and L84.O other bump:2.4318 Ang K36.NZ and S77.OG neighbor-bump: 1.95077 Ang W71.C and P72.CD neighbor-bump: 2.2607 Ang P69.O and A70.CB neighbor-bump: 2.49688 Ang P69.C and A70.CB neighbor-bump: 1.61885 Ang G68.C and P69.CD self-bump: 1.26161 Ang P69.N and P69.CD neighbor-bump: 1.99093 Ang G68.CA and P69.CD neighbor-bump: 2.62469 Ang G68.C and P69.CG self-bump: 2.11161 Ang P69.N and P69.CG neighbor-bump: 2.64778 Ang G68.C and P69.CB self-bump: 2.14854 Ang P69.N and P69.CB other bump:2.53257 Ang R39.NH1 and D60.C other bump:1.50672 Ang R39.CZ and D60.OD2 other bump:0.380494 Ang R39.NH2 and D60.OD2 other bump:1.60991 Ang V57.CG1 and D60.OD2 other bump:2.09217 Ang R39.NH2 and D60.OD1 other bump:2.17205 Ang V57.CG1 and D60.OD1 other bump:2.7124 Ang R39.NE and D60.CG other bump:1.55943 Ang R39.CZ and D60.CG other bump:1.26462 Ang R39.NH2 and D60.CG other bump:2.1322 Ang V57.CG1 and D60.CG other bump:2.08091 Ang R39.CZ and D60.CB other bump:1.23861 Ang R39.NH1 and D60.CB other bump:2.49304 Ang R39.NH2 and D60.CB other bump:2.29806 Ang R39.CZ and D60.CA other bump:1.14076 Ang R39.NH1 and D60.CA other bump:2.93217 Ang R39.NH2 and D60.CA other bump:2.63445 Ang R39.CD and D60.N other bump:2.55354 Ang R39.NE and D60.N other bump:2.09864 Ang R39.CZ and D60.N other bump:1.33699 Ang R39.NH1 and D60.N other bump:3.18545 Ang R39.CD and G59.C other bump:3.17135 Ang R39.CZ and G59.C other bump:2.63715 Ang R39.NH1 and G59.C other bump:2.81019 Ang R39.CD and G59.CA other bump:2.14699 Ang R39.CD and G59.N other bump:2.63352 Ang R39.NE and G59.N other bump:2.81326 Ang R39.CD and L58.C other bump:2.57952 Ang R39.NE and L58.C other bump:3.17523 Ang R39.CZ and L58.C other bump:3.25774 Ang R39.CD and L58.CA other bump:2.82503 Ang R39.NE and L58.CA other bump:2.90475 Ang R39.NE and L58.N other bump:2.94121 Ang R39.NE and V57.CG1 other bump:2.44279 Ang R39.CZ and V57.CG1 other bump:1.38794 Ang R39.NH2 and V57.CG1 other bump:2.88696 Ang R39.NH2 and V57.CB other bump:3.02181 Ang F45.CZ and S55.OG other bump:1.91912 Ang F45.CE2 and S55.OG other bump:3.12275 Ang F45.CE2 and S55.CB other bump:3.05389 Ang V44.CG1 and L52.CD2 other bump:3.05969 Ang V44.CG1 and L52.CG other bump:2.57744 Ang V44.CG1 and L52.CB neighbor-bump: 2.26966 Ang V49.O and V50.CB neighbor-bump: 2.4873 Ang V49.C and V50.CB neighbor-bump: 2.16568 Ang A47.O and K48.CG other bump:2.70883 Ang R43.CZ and F45.CZ other bump:2.23963 Ang R43.NH1 and F45.CZ other bump:2.9978 Ang R43.CG and F45.CZ other bump:1.75499 Ang R43.CD and F45.CZ other bump:2.50674 Ang R43.NE and F45.CZ other bump:2.55274 Ang R43.CD and F45.CE2 other bump:1.42308 Ang R43.CZ and F45.CE1 other bump:1.16285 Ang R43.NH1 and F45.CE1 other bump:2.65404 Ang R43.NH2 and F45.CE1 other bump:1.96181 Ang R43.CD and F45.CE1 other bump:1.72819 Ang R43.NE and F45.CE1 other bump:1.89069 Ang R43.CZ and F45.CD1 other bump:2.05567 Ang R43.NH1 and F45.CD1 other bump:2.5831 Ang R43.NH2 and F45.CD1 other bump:2.8469 Ang R43.CD and F45.CD1 other bump:2.26777 Ang R43.NE and F45.CD1 Number of specific fragments= 1 total=539 Number of alignments=126 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-simpleSW-adpstyle1.pw.a2m.gz # 1fxkC read from T0187-1fxkC-simpleSW-adpstyle1.pw.a2m.gz # found chain 1fxkC in template set T0187 63 :ASIEEINTVRKHLSQVKGGRFAERVFP 1fxkC 33 :ATISELEILEKTLSDIQGKDGSETLVP Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.70883 Ang R25.CZ and F27.CZ other bump:2.23963 Ang R25.NH1 and F27.CZ other bump:2.9978 Ang R25.CG and F27.CZ other bump:1.75499 Ang R25.CD and F27.CZ other bump:2.50674 Ang R25.NE and F27.CZ other bump:2.55274 Ang R25.CD and F27.CE2 other bump:1.42308 Ang R25.CZ and F27.CE1 other bump:1.16285 Ang R25.NH1 and F27.CE1 other bump:2.65404 Ang R25.NH2 and F27.CE1 other bump:1.96181 Ang R25.CD and F27.CE1 other bump:1.72819 Ang R25.NE and F27.CE1 other bump:1.89069 Ang R25.CZ and F27.CD1 other bump:2.05567 Ang R25.NH1 and F27.CD1 other bump:2.5831 Ang R25.NH2 and F27.CD1 other bump:2.8469 Ang R25.CD and F27.CD1 other bump:2.26777 Ang R25.NE and F27.CD1 Number of specific fragments= 1 total=540 Number of alignments=127 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-simpleSW-adpstyle5.pw.a2m.gz # 1fxkC read from T0187-1fxkC-simpleSW-adpstyle5.pw.a2m.gz # found chain 1fxkC in template set T0187 48 :LEEIQKLTSA 1fxkC 21 :VELIQQQMEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 61 :SGASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDV 1fxkC 31 :VRATISELEILEKTLSDIQGKDGSETLVPVGAGSFIKAEL Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:3.25774 Ang R23.CD and G42.CA other bump:2.82503 Ang R23.NE and G42.CA other bump:2.90475 Ang R23.NE and G42.N other bump:2.51919 Ang R23.CZ and V41.CG1 other bump:1.40323 Ang R23.NH2 and V41.CG1 other bump:2.87609 Ang R23.NH2 and V41.CB other bump:3.02181 Ang F29.CZ and S39.OG other bump:1.91912 Ang F29.CE2 and S39.OG other bump:3.12275 Ang F29.CE2 and S39.CB other bump:3.05389 Ang V28.CG1 and L36.CD2 other bump:3.05969 Ang V28.CG1 and L36.CG other bump:2.57744 Ang V28.CG1 and L36.CB neighbor-bump: 2.26966 Ang V33.O and V34.CB neighbor-bump: 2.4873 Ang V33.C and V34.CB neighbor-bump: 2.16568 Ang A31.O and K32.CG other bump:2.70883 Ang R27.CZ and F29.CZ other bump:2.23963 Ang R27.NH1 and F29.CZ other bump:2.9978 Ang R27.CG and F29.CZ other bump:1.75499 Ang R27.CD and F29.CZ other bump:2.50674 Ang R27.NE and F29.CZ other bump:2.55274 Ang R27.CD and F29.CE2 other bump:1.42308 Ang R27.CZ and F29.CE1 other bump:1.16285 Ang R27.NH1 and F29.CE1 other bump:2.65404 Ang R27.NH2 and F29.CE1 other bump:1.96181 Ang R27.CD and F29.CE1 other bump:1.72819 Ang R27.NE and F29.CE1 other bump:1.89069 Ang R27.CZ and F29.CD1 other bump:2.05567 Ang R27.NH1 and F29.CD1 other bump:2.5831 Ang R27.NH2 and F29.CD1 other bump:2.8469 Ang R27.CD and F29.CD1 other bump:2.26777 Ang R27.NE and F29.CD1 T0187 102 :GDRLDVIAS 1fxkC 71 :KDTSEVIMS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.07759 Ang D3.O and D6.OD1 Number of specific fragments= 3 total=543 Number of alignments=128 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-vit-adpstyle1.pw.a2m.gz # 1fxkC read from T0187-1fxkC-vit-adpstyle1.pw.a2m.gz # found chain 1fxkC in template set T0187 45 :GVSLEEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASGPAWPDSSTSEDALKVLEKYGIETSESVKRAILQ 1fxkC 15 :NIYQSQVELIQQQMEAVRATISELEILEKTLSDIQGKDGSETLVPVGAGSFIKAELKDTSEVIMSVGAGVAIKKNFEDAMESIKSQKNELESTLQKMGEN Fragment has 88 clashes (null) has 88 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 102 residues other bump:2.55381 Ang R97.C and Q101.OE1 other bump:1.92979 Ang R97.O and Q101.OE1 other bump:2.6554 Ang A98.CA and Q101.OE1 other bump:2.77437 Ang L15.CD2 and A98.CB other bump:1.84072 Ang I89.CG2 and E93.OE2 other bump:2.54914 Ang E90.CA and E93.OE1 other bump:1.04188 Ang I89.O and E93.OE1 other bump:1.77808 Ang I89.C and E93.OE1 other bump:2.7702 Ang I89.CG2 and E93.CD other bump:1.96873 Ang I89.O and E93.CD other bump:2.68694 Ang I89.C and E93.CD other bump:3.10835 Ang V83.CG1 and Y87.CE2 other bump:2.73086 Ang R29.NH2 and E85.CA other bump:2.73901 Ang R29.NH2 and E85.N other bump:2.45117 Ang R29.NH2 and L84.C other bump:2.10305 Ang R29.NH2 and L84.O other bump:2.4318 Ang K36.NZ and S77.OG neighbor-bump: 1.95077 Ang W71.C and P72.CD neighbor-bump: 2.2607 Ang P69.O and A70.CB neighbor-bump: 2.49688 Ang P69.C and A70.CB neighbor-bump: 1.61885 Ang G68.C and P69.CD self-bump: 1.26161 Ang P69.N and P69.CD neighbor-bump: 1.99093 Ang G68.CA and P69.CD neighbor-bump: 2.62469 Ang G68.C and P69.CG self-bump: 2.11161 Ang P69.N and P69.CG neighbor-bump: 2.64778 Ang G68.C and P69.CB self-bump: 2.14854 Ang P69.N and P69.CB other bump:2.53257 Ang R39.NH1 and D60.C other bump:1.50672 Ang R39.CZ and D60.OD2 other bump:0.380494 Ang R39.NH2 and D60.OD2 other bump:1.60991 Ang V57.CG1 and D60.OD2 other bump:2.09217 Ang R39.NH2 and D60.OD1 other bump:2.17205 Ang V57.CG1 and D60.OD1 other bump:2.7124 Ang R39.NE and D60.CG other bump:1.55943 Ang R39.CZ and D60.CG other bump:1.26462 Ang R39.NH2 and D60.CG other bump:2.1322 Ang V57.CG1 and D60.CG other bump:2.08091 Ang R39.CZ and D60.CB other bump:1.23861 Ang R39.NH1 and D60.CB other bump:2.49304 Ang R39.NH2 and D60.CB other bump:2.29806 Ang R39.CZ and D60.CA other bump:1.14076 Ang R39.NH1 and D60.CA other bump:2.93217 Ang R39.NH2 and D60.CA other bump:2.63445 Ang R39.CD and D60.N other bump:2.55354 Ang R39.NE and D60.N other bump:2.09864 Ang R39.CZ and D60.N other bump:1.33699 Ang R39.NH1 and D60.N other bump:3.18545 Ang R39.CD and G59.C other bump:3.17135 Ang R39.CZ and G59.C other bump:2.63715 Ang R39.NH1 and G59.C other bump:2.81019 Ang R39.CD and G59.CA other bump:2.14699 Ang R39.CD and G59.N other bump:2.63352 Ang R39.NE and G59.N other bump:2.81326 Ang R39.CD and L58.C other bump:2.57952 Ang R39.NE and L58.C other bump:3.17523 Ang R39.CZ and L58.C other bump:3.25774 Ang R39.CD and L58.CA other bump:2.82503 Ang R39.NE and L58.CA other bump:2.90475 Ang R39.NE and L58.N other bump:2.94121 Ang R39.NE and V57.CG1 other bump:2.44279 Ang R39.CZ and V57.CG1 other bump:1.38794 Ang R39.NH2 and V57.CG1 other bump:2.88696 Ang R39.NH2 and V57.CB other bump:3.02181 Ang F45.CZ and S55.OG other bump:1.91912 Ang F45.CE2 and S55.OG other bump:3.12275 Ang F45.CE2 and S55.CB other bump:3.05389 Ang V44.CG1 and L52.CD2 other bump:3.05969 Ang V44.CG1 and L52.CG other bump:2.57744 Ang V44.CG1 and L52.CB neighbor-bump: 2.26966 Ang V49.O and V50.CB neighbor-bump: 2.4873 Ang V49.C and V50.CB neighbor-bump: 2.16568 Ang A47.O and K48.CG other bump:2.70883 Ang R43.CZ and F45.CZ other bump:2.23963 Ang R43.NH1 and F45.CZ other bump:2.9978 Ang R43.CG and F45.CZ other bump:1.75499 Ang R43.CD and F45.CZ other bump:2.50674 Ang R43.NE and F45.CZ other bump:2.55274 Ang R43.CD and F45.CE2 other bump:1.42308 Ang R43.CZ and F45.CE1 other bump:1.16285 Ang R43.NH1 and F45.CE1 other bump:2.65404 Ang R43.NH2 and F45.CE1 other bump:1.96181 Ang R43.CD and F45.CE1 other bump:1.72819 Ang R43.NE and F45.CE1 other bump:1.89069 Ang R43.CZ and F45.CD1 other bump:2.05567 Ang R43.NH1 and F45.CD1 other bump:2.5831 Ang R43.NH2 and F45.CD1 other bump:2.8469 Ang R43.CD and F45.CD1 other bump:2.26777 Ang R43.NE and F45.CD1 Number of specific fragments= 1 total=544 Number of alignments=129 # Reading fragments from alignment file # T0187 read from T0187-1fxkC-vit-adpstyle5.pw.a2m.gz # 1fxkC read from T0187-1fxkC-vit-adpstyle5.pw.a2m.gz # found chain 1fxkC in template set T0187 45 :GVSLEEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASGPAWPDSSTSEDALKVLEKYGIETSESVKRA 1fxkC 15 :NIYQSQVELIQQQMEAVRATISELEILEKTLSDIQGKDGSETLVPVGAGSFIKAELKDTSEVIMSVGAGVAIKKNFEDAMESIKSQKNELESTLQKM Fragment has 85 clashes (null) has 85 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 99 residues other bump:2.77437 Ang L15.CD2 and A98.CB other bump:1.84072 Ang I89.CG2 and E93.OE2 other bump:2.54914 Ang E90.CA and E93.OE1 other bump:1.04188 Ang I89.O and E93.OE1 other bump:1.77808 Ang I89.C and E93.OE1 other bump:2.7702 Ang I89.CG2 and E93.CD other bump:1.96873 Ang I89.O and E93.CD other bump:2.68694 Ang I89.C and E93.CD other bump:3.10835 Ang V83.CG1 and Y87.CE2 other bump:2.73086 Ang R29.NH2 and E85.CA other bump:2.73901 Ang R29.NH2 and E85.N other bump:2.45117 Ang R29.NH2 and L84.C other bump:2.10305 Ang R29.NH2 and L84.O other bump:2.4318 Ang K36.NZ and S77.OG neighbor-bump: 1.95077 Ang W71.C and P72.CD neighbor-bump: 2.2607 Ang P69.O and A70.CB neighbor-bump: 2.49688 Ang P69.C and A70.CB neighbor-bump: 1.61885 Ang G68.C and P69.CD self-bump: 1.26161 Ang P69.N and P69.CD neighbor-bump: 1.99093 Ang G68.CA and P69.CD neighbor-bump: 2.62469 Ang G68.C and P69.CG self-bump: 2.11161 Ang P69.N and P69.CG neighbor-bump: 2.64778 Ang G68.C and P69.CB self-bump: 2.14854 Ang P69.N and P69.CB other bump:2.53257 Ang R39.NH1 and D60.C other bump:1.50672 Ang R39.CZ and D60.OD2 other bump:0.380494 Ang R39.NH2 and D60.OD2 other bump:1.60991 Ang V57.CG1 and D60.OD2 other bump:2.09217 Ang R39.NH2 and D60.OD1 other bump:2.17205 Ang V57.CG1 and D60.OD1 other bump:2.7124 Ang R39.NE and D60.CG other bump:1.55943 Ang R39.CZ and D60.CG other bump:1.26462 Ang R39.NH2 and D60.CG other bump:2.1322 Ang V57.CG1 and D60.CG other bump:2.08091 Ang R39.CZ and D60.CB other bump:1.23861 Ang R39.NH1 and D60.CB other bump:2.49304 Ang R39.NH2 and D60.CB other bump:2.29806 Ang R39.CZ and D60.CA other bump:1.14076 Ang R39.NH1 and D60.CA other bump:2.93217 Ang R39.NH2 and D60.CA other bump:2.63445 Ang R39.CD and D60.N other bump:2.55354 Ang R39.NE and D60.N other bump:2.09864 Ang R39.CZ and D60.N other bump:1.33699 Ang R39.NH1 and D60.N other bump:3.18545 Ang R39.CD and G59.C other bump:3.17135 Ang R39.CZ and G59.C other bump:2.63715 Ang R39.NH1 and G59.C other bump:2.81019 Ang R39.CD and G59.CA other bump:2.14699 Ang R39.CD and G59.N other bump:2.63352 Ang R39.NE and G59.N other bump:2.81326 Ang R39.CD and L58.C other bump:2.57952 Ang R39.NE and L58.C other bump:3.17523 Ang R39.CZ and L58.C other bump:3.25774 Ang R39.CD and L58.CA other bump:2.82503 Ang R39.NE and L58.CA other bump:2.90475 Ang R39.NE and L58.N other bump:2.94121 Ang R39.NE and V57.CG1 other bump:2.44279 Ang R39.CZ and V57.CG1 other bump:1.38794 Ang R39.NH2 and V57.CG1 other bump:2.88696 Ang R39.NH2 and V57.CB other bump:3.02181 Ang F45.CZ and S55.OG other bump:1.91912 Ang F45.CE2 and S55.OG other bump:3.12275 Ang F45.CE2 and S55.CB other bump:3.05389 Ang V44.CG1 and L52.CD2 other bump:3.05969 Ang V44.CG1 and L52.CG other bump:2.57744 Ang V44.CG1 and L52.CB neighbor-bump: 2.26966 Ang V49.O and V50.CB neighbor-bump: 2.4873 Ang V49.C and V50.CB neighbor-bump: 2.16568 Ang A47.O and K48.CG other bump:2.70883 Ang R43.CZ and F45.CZ other bump:2.23963 Ang R43.NH1 and F45.CZ other bump:2.9978 Ang R43.CG and F45.CZ other bump:1.75499 Ang R43.CD and F45.CZ other bump:2.50674 Ang R43.NE and F45.CZ other bump:2.55274 Ang R43.CD and F45.CE2 other bump:1.42308 Ang R43.CZ and F45.CE1 other bump:1.16285 Ang R43.NH1 and F45.CE1 other bump:2.65404 Ang R43.NH2 and F45.CE1 other bump:1.96181 Ang R43.CD and F45.CE1 other bump:1.72819 Ang R43.NE and F45.CE1 other bump:1.89069 Ang R43.CZ and F45.CD1 other bump:2.05567 Ang R43.NH1 and F45.CD1 other bump:2.5831 Ang R43.NH2 and F45.CD1 other bump:2.8469 Ang R43.CD and F45.CD1 other bump:2.26777 Ang R43.NE and F45.CD1 Number of specific fragments= 1 total=545 Number of alignments=130 # Prefix for input files set to 1dciA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1dciA-T0187-fssp-global-adpstyle1.pw.a2m.gz # 1dciA read from 1dciA-T0187-fssp-global-adpstyle1.pw.a2m.gz # found chain 1dciA in template set T0187 1 :PVPDENTIKTTRRVLELVD 1dciA 78 :NAMNRAFWRELVECFQKIS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues self-bump: 2.176 Ang P1.CA and P1.CD T0187 20 :QLNENDTVLFL 1dciA 98 :DSDCRAVVVSG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.5082 Ang V9.CG1 and F11.CZ other bump:1.86743 Ang V9.CG1 and F11.CE1 other bump:3.08543 Ang V9.CB and F11.CE1 other bump:2.7425 Ang E5.OE1 and D7.C other bump:2.77383 Ang E5.CD and D7.O other bump:1.85599 Ang E5.OE1 and D7.O T0187 31 :LSGGGSSLFE 1dciA 112 :MFTSGIDLMD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 41 :LPLEGV 1dciA 126 :ILQPPG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.83877 Ang G6.C and V7.CG2 neighbor-bump: 2.19743 Ang G6.O and V7.CG2 neighbor-bump: 2.00984 Ang L2.C and P3.CD self-bump: 1.34373 Ang P3.N and P3.CD neighbor-bump: 2.70379 Ang L2.CB and P3.CD self-bump: 2.20828 Ang P3.N and P3.CG T0187 47 :SLEEIQKLTSALL 1dciA 144 :LISRYQKTFTVIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 87 :VFPAKVVALVLSDVLGDRLDVIASG 1dciA 157 :KCPKPVIAAIHGGCIGGGVDLISAC Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.07588 Ang V15.CA and R19.CD other bump:2.55966 Ang V15.CG1 and R19.CB other bump:2.44701 Ang V11.CG2 and V15.CG2 T0187 113 :AWPDSSTSEDALKVLEKYGIETSESVKRAI 1dciA 186 :CTQDAFFQVKEVDVGLAADVGTLQRLPKVI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.73308 Ang Y19.CE2 and T23.OG1 other bump:2.98569 Ang E10.CD and T23.CG2 other bump:2.87038 Ang Y19.CD2 and T23.CB other bump:2.96401 Ang Y19.CE2 and T23.CB other bump:2.9211 Ang Y19.CD2 and T23.N other bump:2.51517 Ang Y19.CE2 and T23.N neighbor-bump: 2.02672 Ang I21.O and E22.CG neighbor-bump: 2.85067 Ang I21.C and E22.CG neighbor-bump: 2.12849 Ang I21.O and E22.CB neighbor-bump: 2.56222 Ang I21.C and E22.CB other bump:2.59272 Ang S9.CB and D11.OD1 other bump:2.28249 Ang W3.CD1 and D5.OD1 other bump:2.71273 Ang W3.CD1 and D5.CG other bump:2.8363 Ang W3.CD1 and D5.N T0187 143 :LQETPKHL 1dciA 224 :LTFTARKM Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.07455 Ang T5.O and P6.CD neighbor-bump: 1.60807 Ang T5.C and P6.CD self-bump: 2.18367 Ang P6.CA and P6.CD Number of specific fragments= 8 total=553 Number of alignments=131 # Reading fragments from alignment file # T0187 read from 1dciA-T0187-fssp-global-adpstyle5.pw.a2m.gz # 1dciA read from 1dciA-T0187-fssp-global-adpstyle5.pw.a2m.gz # found chain 1dciA in template set T0187 1 :PV 1dciA 53 :AY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues self-bump: 1.3696 Ang P1.CA and P1.CB T0187 6 :NTI 1dciA 78 :NAM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 9 :KTTRRVLELVDQLNENDTVLFLLSG 1dciA 83 :AFWRELVECFQKISKDSDCRAVVVS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.48875 Ang L14.CD1 and L23.CD2 other bump:2.23778 Ang K2.CG and R6.NH1 other bump:2.33296 Ang K2.CG and R6.CZ other bump:2.6412 Ang K2.CG and R6.NE other bump:2.94992 Ang K2.CG and R6.CD other bump:2.56056 Ang K2.CE and R5.NH2 T0187 34 :GGSSLFEL 1dciA 115 :SGIDLMDM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 42 :PL 1dciA 127 :LQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 45 :GV 1dciA 131 :GD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 47 :SLEEIQKLTSALLK 1dciA 144 :LISRYQKTFTVIEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 61 :SGASIEEINTVRK 1dciA 190 :AFFQVKEVDVGLA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.80155 Ang T11.C and V12.CG2 neighbor-bump: 1.90079 Ang T11.O and V12.CB neighbor-bump: 2.36912 Ang T11.C and V12.CB T0187 74 :HLSQVKGGR 1dciA 210 :RLPKVIGNR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.88917 Ang G1.O and Q5.OE1 other bump:2.5915 Ang G1.O and Q5.CD T0187 84 :AERVFPAKVV 1dciA 222 :NELTFTARKM Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.71981 Ang R4.CD and V11.CG2 neighbor-bump: 1.95865 Ang F6.C and P7.CD self-bump: 1.32105 Ang P7.N and P7.CD neighbor-bump: 2.49487 Ang F6.N and P7.CD neighbor-bump: 2.40722 Ang F6.CA and P7.CD neighbor-bump: 2.81778 Ang F6.CB and P7.CD other bump:2.16832 Ang E3.O and P7.CD other bump:3.1895 Ang E3.C and P7.CD self-bump: 2.19344 Ang P7.N and P7.CG other bump:2.3458 Ang E3.O and P7.CG T0187 96 :VLSDVLGD 1dciA 241 :LVSRVFPD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.39089 Ang L3.CD2 and V6.CG2 other bump:3.1581 Ang L3.CD2 and D5.C T0187 105 :L 1dciA 252 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 121 :EDALKVLEKY 1dciA 254 :NAAFALAADI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.74985 Ang V7.CG1 and Y11.CE1 other bump:2.38001 Ang L5.O and E9.OE2 other bump:1.04892 Ang L5.O and E9.OE1 other bump:1.89486 Ang L5.C and E9.OE1 other bump:2.55802 Ang K6.CA and E9.OE1 other bump:1.86417 Ang L5.O and E9.CD other bump:2.76911 Ang L5.C and E9.CD T0187 131 :GIET 1dciA 281 :SRDH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 135 :SES 1dciA 307 :IKS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 138 :VKRAILQETPKH 1dciA 315 :EKKDSKSITFSK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 2.91879 Ang H13.CD2 and G14.N other bump:2.04586 Ang I6.O and E9.OE1 other bump:2.43418 Ang I6.C and E9.OE1 other bump:2.45962 Ang I6.CA and E9.OE1 other bump:2.4678 Ang V2.CG1 and R4.NE other bump:2.96551 Ang V2.CG1 and R4.CD other bump:3.05157 Ang V2.CG1 and R4.CG Number of specific fragments= 16 total=569 Number of alignments=132 # Reading fragments from alignment file # T0187 read from 1dciA-T0187-local-adpstyle1.pw.a2m.gz # 1dciA read from 1dciA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1dciA in template set T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSGGGSSLF 1dciA 81 :NRAFWRELVECFQKISKDSDCRAVVVSGAGKMF Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.48875 Ang L16.CD1 and L25.CD2 other bump:1.92264 Ang K4.CD and R8.NH2 other bump:0.970067 Ang K4.NZ and R8.NH2 other bump:0.78203 Ang K4.CE and R8.NH2 other bump:1.50107 Ang K4.CD and R8.NH1 other bump:2.32161 Ang K4.NZ and R8.NH1 other bump:1.83453 Ang K4.CE and R8.NH1 other bump:2.23155 Ang K4.CG and R8.NH1 other bump:1.52057 Ang K4.CD and R8.CZ other bump:1.7032 Ang K4.NZ and R8.CZ other bump:0.652988 Ang K4.CE and R8.CZ other bump:2.3245 Ang K4.CG and R8.CZ other bump:2.50336 Ang K4.CD and R8.NE other bump:2.73435 Ang K4.NZ and R8.NE other bump:1.57565 Ang K4.CE and R8.NE other bump:2.57305 Ang K4.CG and R8.NE other bump:2.90439 Ang K4.CE and R8.CD other bump:2.82502 Ang K4.CG and R8.CD Number of specific fragments= 1 total=570 Number of alignments=133 # Reading fragments from alignment file # T0187 read from 1dciA-T0187-local-adpstyle5.pw.a2m.gz # 1dciA read from 1dciA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1dciA in template set T0187 7 :TIKTTRRVLELVDQLNENDTVLF 1dciA 81 :NRAFWRELVECFQKISKDSDCRA Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:1.92264 Ang K4.CD and R8.NH2 other bump:0.970067 Ang K4.NZ and R8.NH2 other bump:0.78203 Ang K4.CE and R8.NH2 other bump:1.50107 Ang K4.CD and R8.NH1 other bump:2.32161 Ang K4.NZ and R8.NH1 other bump:1.83453 Ang K4.CE and R8.NH1 other bump:2.23155 Ang K4.CG and R8.NH1 other bump:1.52057 Ang K4.CD and R8.CZ other bump:1.7032 Ang K4.NZ and R8.CZ other bump:0.652988 Ang K4.CE and R8.CZ other bump:2.3245 Ang K4.CG and R8.CZ other bump:2.50336 Ang K4.CD and R8.NE other bump:2.73435 Ang K4.NZ and R8.NE other bump:1.57565 Ang K4.CE and R8.NE other bump:2.57305 Ang K4.CG and R8.NE other bump:2.90439 Ang K4.CE and R8.CD other bump:2.82502 Ang K4.CG and R8.CD T0187 30 :LLSGGG 1dciA 105 :VVSGAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 37 :SLF 1dciA 111 :KMF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 43 :LEGVSLEEIQKLT 1dciA 114 :TSGIDLMDMASDI Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.18324 Ang V5.CG1 and I10.CD1 other bump:2.25661 Ang V5.CG2 and I10.CD1 other bump:2.71066 Ang V5.CB and I10.CD1 other bump:2.71985 Ang V5.CG1 and I10.CG1 neighbor-bump: 1.90172 Ang G1.O and L2.CD2 neighbor-bump: 2.9476 Ang G1.C and L2.CD2 neighbor-bump: 2.18814 Ang G1.O and L2.CG neighbor-bump: 2.70739 Ang G1.C and L2.CG Number of specific fragments= 4 total=574 Number of alignments=134 # Reading fragments from alignment file # T0187 read from 1dciA-T0187-vit-adpstyle1.pw.a2m.gz # 1dciA read from 1dciA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1dciA in template set T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSGGGSSLF 1dciA 81 :NRAFWRELVECFQKISKDSDCRAVVVSGAGKMF Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.48875 Ang L16.CD1 and L25.CD2 other bump:1.92264 Ang K4.CD and R8.NH2 other bump:0.970067 Ang K4.NZ and R8.NH2 other bump:0.78203 Ang K4.CE and R8.NH2 other bump:1.50107 Ang K4.CD and R8.NH1 other bump:2.32161 Ang K4.NZ and R8.NH1 other bump:1.83453 Ang K4.CE and R8.NH1 other bump:2.23155 Ang K4.CG and R8.NH1 other bump:1.52057 Ang K4.CD and R8.CZ other bump:1.7032 Ang K4.NZ and R8.CZ other bump:0.652988 Ang K4.CE and R8.CZ other bump:2.3245 Ang K4.CG and R8.CZ other bump:2.50336 Ang K4.CD and R8.NE other bump:2.73435 Ang K4.NZ and R8.NE other bump:1.57565 Ang K4.CE and R8.NE other bump:2.57305 Ang K4.CG and R8.NE other bump:2.90439 Ang K4.CE and R8.CD other bump:2.82502 Ang K4.CG and R8.CD Number of specific fragments= 1 total=575 Number of alignments=135 # Reading fragments from alignment file # T0187 read from 1dciA-T0187-vit-adpstyle5.pw.a2m.gz # 1dciA read from 1dciA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1dciA in template set T0187 7 :TIKTTRRVLELVDQLNENDTVLF 1dciA 81 :NRAFWRELVECFQKISKDSDCRA Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:1.92264 Ang K4.CD and R8.NH2 other bump:0.970067 Ang K4.NZ and R8.NH2 other bump:0.78203 Ang K4.CE and R8.NH2 other bump:1.50107 Ang K4.CD and R8.NH1 other bump:2.32161 Ang K4.NZ and R8.NH1 other bump:1.83453 Ang K4.CE and R8.NH1 other bump:2.23155 Ang K4.CG and R8.NH1 other bump:1.52057 Ang K4.CD and R8.CZ other bump:1.7032 Ang K4.NZ and R8.CZ other bump:0.652988 Ang K4.CE and R8.CZ other bump:2.3245 Ang K4.CG and R8.CZ other bump:2.50336 Ang K4.CD and R8.NE other bump:2.73435 Ang K4.NZ and R8.NE other bump:1.57565 Ang K4.CE and R8.NE other bump:2.57305 Ang K4.CG and R8.NE other bump:2.90439 Ang K4.CE and R8.CD other bump:2.82502 Ang K4.CG and R8.CD T0187 30 :LLSGGG 1dciA 105 :VVSGAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 37 :SLF 1dciA 111 :KMF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 43 :LEGVSLEEIQKLT 1dciA 114 :TSGIDLMDMASDI Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.18324 Ang V5.CG1 and I10.CD1 other bump:2.25661 Ang V5.CG2 and I10.CD1 other bump:2.71066 Ang V5.CB and I10.CD1 other bump:2.71985 Ang V5.CG1 and I10.CG1 neighbor-bump: 1.90172 Ang G1.O and L2.CD2 neighbor-bump: 2.9476 Ang G1.C and L2.CD2 neighbor-bump: 2.18814 Ang G1.O and L2.CG neighbor-bump: 2.70739 Ang G1.C and L2.CG Number of specific fragments= 4 total=579 Number of alignments=136 # Reading fragments from alignment file # T0187 read from T0187-1dciA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1dciA read from T0187-1dciA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1dciA in template set T0187 1 :PVPD 1dciA 53 :AYES Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 2.17878 Ang P1.CB and P1.C self-bump: 2.08593 Ang P1.CA and P1.CG self-bump: 1.24353 Ang P1.CA and P1.CB T0187 5 :ENTIKTTRRVLELVDQ 1dciA 82 :RAFWRELVECFQKISK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 23 :ENDTVLFLLSGGGSSLF 1dciA 98 :DSDCRAVVVSGAGKMFT Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues neighbor-bump: 2.3481 Ang L17.O and F18.CD1 neighbor-bump: 2.53129 Ang L17.O and F18.CG other bump:1.65595 Ang F8.CZ and L10.CD2 other bump:1.21253 Ang F8.CE2 and L10.CD2 other bump:3.04993 Ang F8.CE2 and L10.CD1 other bump:2.09282 Ang F8.CE2 and L10.CG T0187 44 :EGVSLEEIQ 1dciA 115 :SGIDLMDMA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.18324 Ang V4.CG1 and I9.CD1 other bump:2.71066 Ang V4.CB and I9.CD1 other bump:2.25661 Ang V4.CG2 and I9.CD1 other bump:2.71985 Ang V4.CG1 and I9.CG1 T0187 55 :TSALLKSGASIEEINT 1dciA 124 :SDILQPPGDDVARIAW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 71 :VRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASGPAWP 1dciA 141 :LRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISACDIRY Fragment has 43 clashes (null) has 43 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.3723 Ang A25.O and P46.CD neighbor-bump: 2.06735 Ang W45.C and P46.CD other bump:3.00764 Ang I39.CG1 and W45.CH2 other bump:2.90395 Ang I39.C and W45.CH2 other bump:2.74136 Ang A40.N and W45.CH2 other bump:2.78906 Ang A40.CA and W45.CH2 other bump:3.21061 Ang A40.CB and W45.CH2 other bump:3.21726 Ang I39.CG1 and W45.CZ3 other bump:3.15932 Ang I39.CD1 and W45.CZ3 other bump:3.13019 Ang I39.CA and W45.CZ2 other bump:1.74745 Ang I39.O and W45.CZ2 other bump:1.95371 Ang I39.C and W45.CZ2 other bump:2.23517 Ang A40.N and W45.CZ2 other bump:2.35384 Ang A40.CA and W45.CZ2 other bump:1.8831 Ang I39.O and W45.NE1 other bump:2.95926 Ang I39.C and W45.NE1 other bump:3.27416 Ang I39.CD1 and W45.CE3 other bump:1.87299 Ang I39.O and W45.CE2 other bump:2.58854 Ang I39.C and W45.CE2 other bump:3.19772 Ang V23.CA and P43.CD other bump:2.12949 Ang V23.O and P43.CD other bump:2.95234 Ang V23.C and P43.CD other bump:2.4292 Ang V23.O and P43.CG other bump:3.19189 Ang V23.C and P43.CG other bump:2.768 Ang V23.N and P43.CG other bump:1.62751 Ang R13.NH2 and V38.CG2 other bump:1.57308 Ang R13.CZ and V38.CG2 other bump:2.77648 Ang R13.CD and V38.CG2 other bump:1.39987 Ang R13.NE and V38.CG2 other bump:2.84478 Ang R13.NH1 and V38.CG2 other bump:3.07132 Ang R13.NH2 and V38.CB other bump:2.39721 Ang R13.NE and V38.CB other bump:3.13569 Ang R13.CD and V38.CA other bump:2.68255 Ang R13.NE and V38.CA other bump:3.07588 Ang V31.CA and R35.CD other bump:2.55966 Ang V31.CG1 and R35.CB other bump:2.44701 Ang V27.CG2 and V31.CG2 other bump:2.78656 Ang A15.O and F19.CE2 other bump:2.2097 Ang A15.O and F19.CD2 other bump:3.17412 Ang F14.CZ and V18.CG2 other bump:1.52704 Ang F14.CE1 and R17.NH2 other bump:2.24005 Ang F14.CZ and R17.NH2 other bump:2.58301 Ang F14.CE1 and R17.CZ T0187 116 :DSSTSEDALKVLEKYGIETSESVKRAILQETP 1dciA 198 :DVGLAADVGTLQRLPKVIGNRSLVNELTFTAR Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.45097 Ang R26.NH2 and Q30.NE2 other bump:2.98937 Ang Y16.CZ and L29.CD1 other bump:2.55158 Ang Y16.OH and L29.CD1 other bump:2.63683 Ang Y16.OH and R26.CD other bump:0.986775 Ang Y16.CG and K25.NZ other bump:2.11873 Ang Y16.CD2 and K25.NZ other bump:2.61108 Ang Y16.CE1 and K25.NZ other bump:1.46251 Ang Y16.CD1 and K25.NZ other bump:2.53257 Ang Y16.CA and K25.NZ other bump:1.48644 Ang Y16.CB and K25.NZ other bump:1.2897 Ang Y16.CG and K25.CE other bump:2.46814 Ang Y16.CD2 and K25.CE other bump:1.83148 Ang Y16.CE1 and K25.CE other bump:0.540347 Ang Y16.CD1 and K25.CE other bump:2.77307 Ang Y16.CZ and K25.CE other bump:2.52991 Ang Y16.CA and K25.CE other bump:2.22576 Ang Y16.CB and K25.CE other bump:2.70992 Ang Y16.CG and K25.CD other bump:1.70112 Ang Y16.CD1 and K25.CD other bump:2.60918 Ang Y16.CA and K25.CD other bump:2.59761 Ang Y16.CD1 and K25.CG other bump:2.18111 Ang Y16.CE1 and K25.CB other bump:2.72583 Ang Y16.CD1 and K25.CB other bump:2.44228 Ang E7.OE2 and K11.CD other bump:2.91184 Ang E7.CD and K11.CD other bump:3.00784 Ang E7.CD and K11.CG other bump:2.46263 Ang E7.OE1 and K11.CG other bump:2.11839 Ang E7.CD and K11.CB other bump:1.22303 Ang E7.OE1 and K11.CB other bump:2.35022 Ang E7.OE1 and K11.CA neighbor-bump: 2.4794 Ang A9.O and L10.CD1 neighbor-bump: 1.6876 Ang A9.O and L10.CG neighbor-bump: 2.61198 Ang A9.C and L10.CG neighbor-bump: 2.12575 Ang A9.O and L10.CB neighbor-bump: 2.55818 Ang A9.C and L10.CB Number of specific fragments= 7 total=586 Number of alignments=137 # Reading fragments from alignment file # T0187 read from T0187-1dciA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1dciA read from T0187-1dciA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1dciA in template set T0187 1 :PVPD 1dciA 53 :AYES Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 2.17878 Ang P1.CB and P1.C self-bump: 2.08593 Ang P1.CA and P1.CG self-bump: 1.24353 Ang P1.CA and P1.CB T0187 5 :ENTIKTTRRVLELVDQ 1dciA 82 :RAFWRELVECFQKISK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 23 :ENDTVLFLLSGGGSSL 1dciA 98 :DSDCRAVVVSGAGKMF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:1.65595 Ang F8.CZ and L10.CD2 other bump:1.21253 Ang F8.CE2 and L10.CD2 other bump:3.04993 Ang F8.CE2 and L10.CD1 other bump:2.09282 Ang F8.CE2 and L10.CG T0187 43 :LEGVSLEEIQ 1dciA 114 :TSGIDLMDMA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.18324 Ang V5.CG1 and I10.CD1 other bump:2.25661 Ang V5.CG2 and I10.CD1 other bump:2.71066 Ang V5.CB and I10.CD1 other bump:2.71985 Ang V5.CG1 and I10.CG1 neighbor-bump: 1.90172 Ang G1.O and L2.CD2 neighbor-bump: 2.9476 Ang G1.C and L2.CD2 neighbor-bump: 2.18814 Ang G1.O and L2.CG neighbor-bump: 2.70739 Ang G1.C and L2.CG T0187 55 :TSALLKSGASIEEIN 1dciA 124 :SDILQPPGDDVARIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 70 :TVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIAS 1dciA 140 :YLRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.57308 Ang R14.CZ and V39.CG2 other bump:1.62751 Ang R14.NH2 and V39.CG2 other bump:2.77648 Ang R14.CD and V39.CG2 other bump:1.39987 Ang R14.NE and V39.CG2 other bump:2.84478 Ang R14.NH1 and V39.CG2 other bump:3.07132 Ang R14.NH2 and V39.CB other bump:2.39721 Ang R14.NE and V39.CB other bump:3.13569 Ang R14.CD and V39.CA other bump:2.68255 Ang R14.NE and V39.CA other bump:3.07588 Ang V32.CA and R36.CD other bump:2.55966 Ang V32.CG1 and R36.CB other bump:2.44701 Ang V28.CG2 and V32.CG2 other bump:2.78656 Ang A16.O and F20.CE2 other bump:2.2097 Ang A16.O and F20.CD2 other bump:3.17412 Ang F15.CZ and V19.CG2 other bump:1.52704 Ang F15.CE1 and R18.NH2 other bump:2.24005 Ang F15.CZ and R18.NH2 other bump:2.58301 Ang F15.CE1 and R18.CZ T0187 116 :DSSTSEDALKVLEKYGIETSESVKRAILQETP 1dciA 198 :DVGLAADVGTLQRLPKVIGNRSLVNELTFTAR Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.45097 Ang R26.NH2 and Q30.NE2 other bump:2.98937 Ang Y16.CZ and L29.CD1 other bump:2.55158 Ang Y16.OH and L29.CD1 other bump:2.63683 Ang Y16.OH and R26.CD other bump:0.986775 Ang Y16.CG and K25.NZ other bump:2.11873 Ang Y16.CD2 and K25.NZ other bump:2.61108 Ang Y16.CE1 and K25.NZ other bump:1.46251 Ang Y16.CD1 and K25.NZ other bump:2.53257 Ang Y16.CA and K25.NZ other bump:1.48644 Ang Y16.CB and K25.NZ other bump:1.2897 Ang Y16.CG and K25.CE other bump:2.46814 Ang Y16.CD2 and K25.CE other bump:1.83148 Ang Y16.CE1 and K25.CE other bump:0.540347 Ang Y16.CD1 and K25.CE other bump:2.77307 Ang Y16.CZ and K25.CE other bump:2.52991 Ang Y16.CA and K25.CE other bump:2.22576 Ang Y16.CB and K25.CE other bump:2.70992 Ang Y16.CG and K25.CD other bump:1.70112 Ang Y16.CD1 and K25.CD other bump:2.60918 Ang Y16.CA and K25.CD other bump:2.59761 Ang Y16.CD1 and K25.CG other bump:2.18111 Ang Y16.CE1 and K25.CB other bump:2.72583 Ang Y16.CD1 and K25.CB other bump:2.44228 Ang E7.OE2 and K11.CD other bump:2.91184 Ang E7.CD and K11.CD other bump:3.00784 Ang E7.CD and K11.CG other bump:2.46263 Ang E7.OE1 and K11.CG other bump:2.11839 Ang E7.CD and K11.CB other bump:1.22303 Ang E7.OE1 and K11.CB other bump:2.35022 Ang E7.OE1 and K11.CA neighbor-bump: 2.4794 Ang A9.O and L10.CD1 neighbor-bump: 1.6876 Ang A9.O and L10.CG neighbor-bump: 2.61198 Ang A9.C and L10.CG neighbor-bump: 2.12575 Ang A9.O and L10.CB neighbor-bump: 2.55818 Ang A9.C and L10.CB Number of specific fragments= 7 total=593 Number of alignments=138 # Reading fragments from alignment file # T0187 read from T0187-1dciA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1dciA read from T0187-1dciA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1dciA in template set T0187 4 :DENTIKTTRRVLELVDQ 1dciA 81 :NRAFWRELVECFQKISK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 23 :ENDTVLFLLSGGGSSLF 1dciA 98 :DSDCRAVVVSGAGKMFT Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues neighbor-bump: 2.3481 Ang L17.O and F18.CD1 neighbor-bump: 2.53129 Ang L17.O and F18.CG other bump:1.65595 Ang F8.CZ and L10.CD2 other bump:1.21253 Ang F8.CE2 and L10.CD2 other bump:3.04993 Ang F8.CE2 and L10.CD1 other bump:2.09282 Ang F8.CE2 and L10.CG T0187 44 :EGVSLEEIQ 1dciA 115 :SGIDLMDMA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.18324 Ang V4.CG1 and I9.CD1 other bump:2.71066 Ang V4.CB and I9.CD1 other bump:2.25661 Ang V4.CG2 and I9.CD1 other bump:2.71985 Ang V4.CG1 and I9.CG1 T0187 55 :TSALLKSGASIEEINT 1dciA 124 :SDILQPPGDDVARIAW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 71 :VRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIAS 1dciA 141 :LRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.62751 Ang R13.NH2 and V38.CG2 other bump:1.57308 Ang R13.CZ and V38.CG2 other bump:2.77648 Ang R13.CD and V38.CG2 other bump:1.39987 Ang R13.NE and V38.CG2 other bump:2.84478 Ang R13.NH1 and V38.CG2 other bump:3.07132 Ang R13.NH2 and V38.CB other bump:2.39721 Ang R13.NE and V38.CB other bump:3.13569 Ang R13.CD and V38.CA other bump:2.68255 Ang R13.NE and V38.CA other bump:3.07588 Ang V31.CA and R35.CD other bump:2.55966 Ang V31.CG1 and R35.CB other bump:2.44701 Ang V27.CG2 and V31.CG2 other bump:2.78656 Ang A15.O and F19.CE2 other bump:2.2097 Ang A15.O and F19.CD2 other bump:3.17412 Ang F14.CZ and V18.CG2 other bump:1.52704 Ang F14.CE1 and R17.NH2 other bump:2.24005 Ang F14.CZ and R17.NH2 other bump:2.58301 Ang F14.CE1 and R17.CZ Number of specific fragments= 5 total=598 Number of alignments=139 # Reading fragments from alignment file # T0187 read from T0187-1dciA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1dciA read from T0187-1dciA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1dciA in template set T0187 4 :DENTIKTTRRVLELVDQ 1dciA 81 :NRAFWRELVECFQKISK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 23 :ENDTVLFLLSGGGSSL 1dciA 98 :DSDCRAVVVSGAGKMF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:1.65595 Ang F8.CZ and L10.CD2 other bump:1.21253 Ang F8.CE2 and L10.CD2 other bump:3.04993 Ang F8.CE2 and L10.CD1 other bump:2.09282 Ang F8.CE2 and L10.CG T0187 43 :LEGVSLEEIQ 1dciA 114 :TSGIDLMDMA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.18324 Ang V5.CG1 and I10.CD1 other bump:2.25661 Ang V5.CG2 and I10.CD1 other bump:2.71066 Ang V5.CB and I10.CD1 other bump:2.71985 Ang V5.CG1 and I10.CG1 neighbor-bump: 1.90172 Ang G1.O and L2.CD2 neighbor-bump: 2.9476 Ang G1.C and L2.CD2 neighbor-bump: 2.18814 Ang G1.O and L2.CG neighbor-bump: 2.70739 Ang G1.C and L2.CG T0187 55 :TSALLKSGASIEEIN 1dciA 124 :SDILQPPGDDVARIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 70 :TVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIA 1dciA 140 :YLRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLIS Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.57308 Ang R14.CZ and V39.CG2 other bump:1.62751 Ang R14.NH2 and V39.CG2 other bump:2.77648 Ang R14.CD and V39.CG2 other bump:1.39987 Ang R14.NE and V39.CG2 other bump:2.84478 Ang R14.NH1 and V39.CG2 other bump:3.07132 Ang R14.NH2 and V39.CB other bump:2.39721 Ang R14.NE and V39.CB other bump:3.13569 Ang R14.CD and V39.CA other bump:2.68255 Ang R14.NE and V39.CA other bump:3.07588 Ang V32.CA and R36.CD other bump:2.55966 Ang V32.CG1 and R36.CB other bump:2.44701 Ang V28.CG2 and V32.CG2 other bump:2.78656 Ang A16.O and F20.CE2 other bump:2.2097 Ang A16.O and F20.CD2 other bump:3.17412 Ang F15.CZ and V19.CG2 other bump:1.52704 Ang F15.CE1 and R18.NH2 other bump:2.24005 Ang F15.CZ and R18.NH2 other bump:2.58301 Ang F15.CE1 and R18.CZ Number of specific fragments= 5 total=603 Number of alignments=140 # Reading fragments from alignment file # T0187 read from T0187-1dciA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1dciA read from T0187-1dciA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1dciA in template set T0187 1 :PV 1dciA 53 :AY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues self-bump: 1.3696 Ang P1.CA and P1.CB T0187 3 :PDENTIKTTRRVLELVDQLN 1dciA 77 :RNAMNRAFWRELVECFQKIS Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.73177 Ang D18.CA and N21.OD1 other bump:1.31069 Ang D18.O and N21.OD1 other bump:2.19127 Ang D18.C and N21.OD1 other bump:2.52687 Ang D18.O and N21.CG other bump:3.25584 Ang D18.C and N21.CG other bump:1.92263 Ang K8.CD and R12.NH2 other bump:0.78202 Ang K8.CE and R12.NH2 other bump:0.970057 Ang K8.NZ and R12.NH2 other bump:1.50106 Ang K8.CD and R12.NH1 other bump:1.83454 Ang K8.CE and R12.NH1 other bump:2.32162 Ang K8.NZ and R12.NH1 other bump:2.23155 Ang K8.CG and R12.NH1 other bump:1.52057 Ang K8.CD and R12.CZ other bump:0.653 Ang K8.CE and R12.CZ other bump:1.70321 Ang K8.NZ and R12.CZ other bump:2.3245 Ang K8.CG and R12.CZ other bump:2.50335 Ang K8.CD and R12.NE other bump:1.57566 Ang K8.CE and R12.NE other bump:2.73436 Ang K8.NZ and R12.NE other bump:2.57305 Ang K8.CG and R12.NE other bump:2.9044 Ang K8.CE and R12.CD other bump:2.82503 Ang K8.CG and R12.CD T0187 23 :ENDTVLFLLSGGG 1dciA 98 :DSDCRAVVVSGAG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.65595 Ang F8.CZ and L10.CD2 other bump:1.21253 Ang F8.CE2 and L10.CD2 other bump:3.04993 Ang F8.CE2 and L10.CD1 other bump:2.09282 Ang F8.CE2 and L10.CG T0187 40 :ELPLEGVSLEEIQ 1dciA 111 :KMFTSGIDLMDMA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.18324 Ang V8.CG1 and I13.CD1 other bump:2.71066 Ang V8.CB and I13.CD1 other bump:2.25661 Ang V8.CG2 and I13.CD1 other bump:2.71985 Ang V8.CG1 and I13.CG1 other bump:3.1462 Ang L5.CG and G7.N other bump:2.98605 Ang L3.CD2 and E6.N other bump:2.84264 Ang L3.CD2 and L5.C self-bump: 1.35776 Ang P4.CA and P4.CB T0187 55 :TSALLKSGASIEEINT 1dciA 124 :SDILQPPGDDVARIAW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 71 :VRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASGPAWP 1dciA 141 :LRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISACDIRY Fragment has 43 clashes (null) has 43 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.3723 Ang A25.O and P46.CD neighbor-bump: 2.06735 Ang W45.C and P46.CD other bump:3.00764 Ang I39.CG1 and W45.CH2 other bump:2.90395 Ang I39.C and W45.CH2 other bump:2.74136 Ang A40.N and W45.CH2 other bump:2.78906 Ang A40.CA and W45.CH2 other bump:3.21061 Ang A40.CB and W45.CH2 other bump:3.21726 Ang I39.CG1 and W45.CZ3 other bump:3.15932 Ang I39.CD1 and W45.CZ3 other bump:3.13019 Ang I39.CA and W45.CZ2 other bump:1.74745 Ang I39.O and W45.CZ2 other bump:1.95371 Ang I39.C and W45.CZ2 other bump:2.23517 Ang A40.N and W45.CZ2 other bump:2.35384 Ang A40.CA and W45.CZ2 other bump:1.8831 Ang I39.O and W45.NE1 other bump:2.95926 Ang I39.C and W45.NE1 other bump:3.27416 Ang I39.CD1 and W45.CE3 other bump:1.87299 Ang I39.O and W45.CE2 other bump:2.58854 Ang I39.C and W45.CE2 other bump:3.19772 Ang V23.CA and P43.CD other bump:2.12949 Ang V23.O and P43.CD other bump:2.95234 Ang V23.C and P43.CD other bump:2.4292 Ang V23.O and P43.CG other bump:3.19189 Ang V23.C and P43.CG other bump:2.768 Ang V23.N and P43.CG other bump:1.62751 Ang R13.NH2 and V38.CG2 other bump:1.57308 Ang R13.CZ and V38.CG2 other bump:2.77648 Ang R13.CD and V38.CG2 other bump:1.39987 Ang R13.NE and V38.CG2 other bump:2.84478 Ang R13.NH1 and V38.CG2 other bump:3.07132 Ang R13.NH2 and V38.CB other bump:2.39721 Ang R13.NE and V38.CB other bump:3.13569 Ang R13.CD and V38.CA other bump:2.68255 Ang R13.NE and V38.CA other bump:3.07588 Ang V31.CA and R35.CD other bump:2.55966 Ang V31.CG1 and R35.CB other bump:2.44701 Ang V27.CG2 and V31.CG2 other bump:2.78656 Ang A15.O and F19.CE2 other bump:2.2097 Ang A15.O and F19.CD2 other bump:3.17412 Ang F14.CZ and V18.CG2 other bump:1.52704 Ang F14.CE1 and R17.NH2 other bump:2.24005 Ang F14.CZ and R17.NH2 other bump:2.58301 Ang F14.CE1 and R17.CZ T0187 116 :DSSTSEDALKVLEKYGIETSESVKRAILQETP 1dciA 198 :DVGLAADVGTLQRLPKVIGNRSLVNELTFTAR Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.45097 Ang R26.NH2 and Q30.NE2 other bump:2.98937 Ang Y16.CZ and L29.CD1 other bump:2.55158 Ang Y16.OH and L29.CD1 other bump:2.63683 Ang Y16.OH and R26.CD other bump:0.986775 Ang Y16.CG and K25.NZ other bump:2.11873 Ang Y16.CD2 and K25.NZ other bump:2.61108 Ang Y16.CE1 and K25.NZ other bump:1.46251 Ang Y16.CD1 and K25.NZ other bump:2.53257 Ang Y16.CA and K25.NZ other bump:1.48644 Ang Y16.CB and K25.NZ other bump:1.2897 Ang Y16.CG and K25.CE other bump:2.46814 Ang Y16.CD2 and K25.CE other bump:1.83148 Ang Y16.CE1 and K25.CE other bump:0.540347 Ang Y16.CD1 and K25.CE other bump:2.77307 Ang Y16.CZ and K25.CE other bump:2.52991 Ang Y16.CA and K25.CE other bump:2.22576 Ang Y16.CB and K25.CE other bump:2.70992 Ang Y16.CG and K25.CD other bump:1.70112 Ang Y16.CD1 and K25.CD other bump:2.60918 Ang Y16.CA and K25.CD other bump:2.59761 Ang Y16.CD1 and K25.CG other bump:2.18111 Ang Y16.CE1 and K25.CB other bump:2.72583 Ang Y16.CD1 and K25.CB other bump:2.44228 Ang E7.OE2 and K11.CD other bump:2.91184 Ang E7.CD and K11.CD other bump:3.00784 Ang E7.CD and K11.CG other bump:2.46263 Ang E7.OE1 and K11.CG other bump:2.11839 Ang E7.CD and K11.CB other bump:1.22303 Ang E7.OE1 and K11.CB other bump:2.35022 Ang E7.OE1 and K11.CA neighbor-bump: 2.4794 Ang A9.O and L10.CD1 neighbor-bump: 1.6876 Ang A9.O and L10.CG neighbor-bump: 2.61198 Ang A9.C and L10.CG neighbor-bump: 2.12575 Ang A9.O and L10.CB neighbor-bump: 2.55818 Ang A9.C and L10.CB Number of specific fragments= 7 total=610 Number of alignments=141 # Reading fragments from alignment file # T0187 read from T0187-1dciA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1dciA read from T0187-1dciA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1dciA in template set T0187 1 :PVPD 1dciA 53 :AYES Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 2.17878 Ang P1.CB and P1.C self-bump: 2.08593 Ang P1.CA and P1.CG self-bump: 1.24353 Ang P1.CA and P1.CB T0187 5 :ENTIKTTRRVLELVDQLN 1dciA 79 :AMNRAFWRELVECFQKIS Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.73177 Ang D16.CA and N19.OD1 other bump:1.31069 Ang D16.O and N19.OD1 other bump:2.19127 Ang D16.C and N19.OD1 other bump:2.52687 Ang D16.O and N19.CG other bump:3.25584 Ang D16.C and N19.CG other bump:1.92263 Ang K6.CD and R10.NH2 other bump:0.78202 Ang K6.CE and R10.NH2 other bump:0.970057 Ang K6.NZ and R10.NH2 other bump:1.50106 Ang K6.CD and R10.NH1 other bump:1.83454 Ang K6.CE and R10.NH1 other bump:2.32162 Ang K6.NZ and R10.NH1 other bump:2.23155 Ang K6.CG and R10.NH1 other bump:1.52057 Ang K6.CD and R10.CZ other bump:0.653 Ang K6.CE and R10.CZ other bump:1.70321 Ang K6.NZ and R10.CZ other bump:2.3245 Ang K6.CG and R10.CZ other bump:2.50335 Ang K6.CD and R10.NE other bump:1.57566 Ang K6.CE and R10.NE other bump:2.73436 Ang K6.NZ and R10.NE other bump:2.57305 Ang K6.CG and R10.NE other bump:2.9044 Ang K6.CE and R10.CD other bump:2.82503 Ang K6.CG and R10.CD T0187 23 :ENDTVLFLLSGGGS 1dciA 98 :DSDCRAVVVSGAGK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:1.65595 Ang F8.CZ and L10.CD2 other bump:1.21253 Ang F8.CE2 and L10.CD2 other bump:3.04993 Ang F8.CE2 and L10.CD1 other bump:2.09282 Ang F8.CE2 and L10.CG T0187 41 :LPLEGVSLEEI 1dciA 112 :MFTSGIDLMDM Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.18323 Ang V7.CG1 and I12.CD1 other bump:2.71065 Ang V7.CB and I12.CD1 other bump:2.25661 Ang V7.CG2 and I12.CD1 other bump:2.71984 Ang V7.CG1 and I12.CG1 other bump:3.1462 Ang L4.CG and G6.N other bump:2.98605 Ang L2.CD2 and E5.N other bump:2.84264 Ang L2.CD2 and L4.C self-bump: 1.35776 Ang P3.CA and P3.CB T0187 54 :LTSALLKSGASIEEIN 1dciA 123 :ASDILQPPGDDVARIA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.13463 Ang L2.CD2 and L6.CD1 other bump:2.39339 Ang L2.CD2 and L6.CG T0187 70 :TVRKHLSQVKGGRFAERVFPAKVVALVLSDVLG 1dciA 140 :YLRDLISRYQKTFTVIEKCPKPVIAAIHGGCIG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.44701 Ang V28.CG2 and V32.CG2 other bump:2.78656 Ang A16.O and F20.CE2 other bump:2.2097 Ang A16.O and F20.CD2 other bump:3.17412 Ang F15.CZ and V19.CG2 other bump:1.52704 Ang F15.CE1 and R18.NH2 other bump:2.24005 Ang F15.CZ and R18.NH2 other bump:2.58301 Ang F15.CE1 and R18.CZ T0187 105 :LDVIASGPAWP 1dciA 194 :VKEVDVGLAAD Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.4444 Ang W11.CA and P12.CD neighbor-bump: 2.05642 Ang W11.C and P12.CD other bump:3.23593 Ang L2.N and W11.CH2 other bump:2.13186 Ang L2.CA and W11.CH2 other bump:2.31108 Ang L2.CB and W11.CH2 other bump:2.40023 Ang L2.CG and W11.CH2 other bump:1.68024 Ang L2.CD2 and W11.CH2 other bump:3.14671 Ang L2.CB and W11.CZ3 other bump:2.80173 Ang L2.CG and W11.CZ3 other bump:1.63009 Ang L2.CD2 and W11.CZ3 other bump:2.31601 Ang L2.C and W11.CZ2 other bump:2.66453 Ang D3.N and W11.CZ2 other bump:1.91081 Ang L2.CA and W11.CZ2 other bump:2.5138 Ang L2.CB and W11.CZ2 other bump:3.00059 Ang L2.CD2 and W11.CZ2 other bump:2.71714 Ang V4.CA and W11.NE1 other bump:2.25598 Ang V4.N and W11.NE1 other bump:2.11811 Ang V4.CB and W11.NE1 other bump:2.01809 Ang V4.CG2 and W11.NE1 other bump:2.94656 Ang L2.CD2 and W11.CE3 other bump:3.13564 Ang L2.C and W11.CE2 other bump:3.01191 Ang V4.CG2 and W11.CE2 other bump:3.16797 Ang L2.CA and W11.CE2 other bump:2.94016 Ang V4.CA and W11.CD1 other bump:2.68344 Ang V4.CG1 and W11.CD1 other bump:1.62263 Ang V4.CB and W11.CD1 other bump:1.57976 Ang V4.CG2 and W11.CD1 other bump:2.95689 Ang V4.CB and W11.CG other bump:2.54814 Ang V4.CG2 and W11.CG other bump:3.22851 Ang V4.CG1 and A10.C other bump:3.00366 Ang V4.CG1 and P9.C other bump:2.22342 Ang V4.CG1 and P9.O other bump:2.72964 Ang S7.C and P9.CD neighbor-bump: 2.51457 Ang G8.N and P9.CD T0187 130 :YGIETSESVKRAILQETP 1dciA 212 :PKVIGNRSLVNELTFTAR Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.45097 Ang R12.NH2 and Q16.NE2 other bump:1.66049 Ang Y2.OH and L15.CD1 other bump:2.59321 Ang Y2.CZ and L15.CD1 other bump:0.961533 Ang Y2.CG and K11.NZ other bump:1.84396 Ang Y2.CD1 and K11.NZ other bump:1.90343 Ang Y2.CD2 and K11.NZ other bump:2.53257 Ang Y2.CA and K11.NZ other bump:1.34824 Ang Y2.CB and K11.NZ other bump:1.32882 Ang Y2.CG and K11.CE other bump:0.652701 Ang Y2.CD1 and K11.CE other bump:2.55708 Ang Y2.CD2 and K11.CE other bump:1.97978 Ang Y2.CE1 and K11.CE other bump:2.52991 Ang Y2.CA and K11.CE other bump:2.15156 Ang Y2.CB and K11.CE other bump:2.72111 Ang Y2.CG and K11.CD other bump:2.02426 Ang Y2.CD1 and K11.CD other bump:2.60918 Ang Y2.CA and K11.CD other bump:2.87993 Ang Y2.CB and K11.CD other bump:2.7435 Ang Y2.CD1 and K11.CG other bump:2.96072 Ang Y2.CD1 and K11.CB other bump:2.87364 Ang Y2.CE1 and K11.CB Number of specific fragments= 8 total=618 Number of alignments=142 # Reading fragments from alignment file # T0187 read from T0187-1dciA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1dciA read from T0187-1dciA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1dciA in template set T0187 4 :DENTIKTTRRVLELVDQ 1dciA 81 :NRAFWRELVECFQKISK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 23 :ENDTVLFLLSGGG 1dciA 98 :DSDCRAVVVSGAG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.65595 Ang F8.CZ and L10.CD2 other bump:1.21253 Ang F8.CE2 and L10.CD2 other bump:3.04993 Ang F8.CE2 and L10.CD1 other bump:2.09282 Ang F8.CE2 and L10.CG T0187 40 :ELPLEGVSLEEIQ 1dciA 111 :KMFTSGIDLMDMA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.18324 Ang V8.CG1 and I13.CD1 other bump:2.71066 Ang V8.CB and I13.CD1 other bump:2.25661 Ang V8.CG2 and I13.CD1 other bump:2.71985 Ang V8.CG1 and I13.CG1 other bump:3.1462 Ang L5.CG and G7.N other bump:2.98605 Ang L3.CD2 and E6.N other bump:2.84264 Ang L3.CD2 and L5.C self-bump: 1.35776 Ang P4.CA and P4.CB T0187 55 :TSALLKSGASIEEINT 1dciA 124 :SDILQPPGDDVARIAW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 71 :VRKHLSQVKGGRFAERVFPAKVVALVLSDVLG 1dciA 141 :LRDLISRYQKTFTVIEKCPKPVIAAIHGGCIG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.44701 Ang V27.CG2 and V31.CG2 other bump:2.78656 Ang A15.O and F19.CE2 other bump:2.2097 Ang A15.O and F19.CD2 other bump:3.17412 Ang F14.CZ and V18.CG2 other bump:1.52704 Ang F14.CE1 and R17.NH2 other bump:2.24005 Ang F14.CZ and R17.NH2 other bump:2.58301 Ang F14.CE1 and R17.CZ Number of specific fragments= 5 total=623 Number of alignments=143 # Reading fragments from alignment file # T0187 read from T0187-1dciA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1dciA read from T0187-1dciA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1dciA in template set T0187 4 :DENTIKTTRRVLELVDQ 1dciA 81 :NRAFWRELVECFQKISK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 23 :ENDTVLFLLSGGGS 1dciA 98 :DSDCRAVVVSGAGK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:1.65595 Ang F8.CZ and L10.CD2 other bump:1.21253 Ang F8.CE2 and L10.CD2 other bump:3.04993 Ang F8.CE2 and L10.CD1 other bump:2.09282 Ang F8.CE2 and L10.CG T0187 41 :LPLEGVSLEEI 1dciA 112 :MFTSGIDLMDM Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.18323 Ang V7.CG1 and I12.CD1 other bump:2.71065 Ang V7.CB and I12.CD1 other bump:2.25661 Ang V7.CG2 and I12.CD1 other bump:2.71984 Ang V7.CG1 and I12.CG1 other bump:3.1462 Ang L4.CG and G6.N other bump:2.98605 Ang L2.CD2 and E5.N other bump:2.84264 Ang L2.CD2 and L4.C self-bump: 1.35776 Ang P3.CA and P3.CB T0187 54 :LTSALLKSGASIEEIN 1dciA 123 :ASDILQPPGDDVARIA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.13463 Ang L2.CD2 and L6.CD1 other bump:2.39339 Ang L2.CD2 and L6.CG T0187 70 :TVRKHLSQVKGGRFAERVFPAKVVALVLSDVLG 1dciA 140 :YLRDLISRYQKTFTVIEKCPKPVIAAIHGGCIG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.44701 Ang V28.CG2 and V32.CG2 other bump:2.78656 Ang A16.O and F20.CE2 other bump:2.2097 Ang A16.O and F20.CD2 other bump:3.17412 Ang F15.CZ and V19.CG2 other bump:1.52704 Ang F15.CE1 and R18.NH2 other bump:2.24005 Ang F15.CZ and R18.NH2 other bump:2.58301 Ang F15.CE1 and R18.CZ Number of specific fragments= 5 total=628 Number of alignments=144 # Reading fragments from alignment file # T0187 read from T0187-1dciA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1dciA read from T0187-1dciA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1dciA in template set T0187 1 :PV 1dciA 53 :AY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues self-bump: 1.3696 Ang P1.CA and P1.CB T0187 3 :PDENTIKTTRRVLELVDQLNENDTVLFLLSG 1dciA 80 :MNRAFWRELVECFQKISKDSDCRAVVVSGAG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.51288 Ang D24.O and T25.CG2 T0187 40 :ELPLEGVSLEEIQ 1dciA 111 :KMFTSGIDLMDMA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.18324 Ang V8.CG1 and I13.CD1 other bump:2.71066 Ang V8.CB and I13.CD1 other bump:2.25661 Ang V8.CG2 and I13.CD1 other bump:2.71985 Ang V8.CG1 and I13.CG1 other bump:3.1462 Ang L5.CG and G7.N other bump:2.98605 Ang L3.CD2 and E6.N other bump:2.84264 Ang L3.CD2 and L5.C self-bump: 1.35776 Ang P4.CA and P4.CB T0187 55 :TSALLKSGASIEEINT 1dciA 124 :SDILQPPGDDVARIAW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 71 :VRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASGPAWP 1dciA 141 :LRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISACDIRY Fragment has 43 clashes (null) has 43 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.3723 Ang A25.O and P46.CD neighbor-bump: 2.06735 Ang W45.C and P46.CD other bump:3.00764 Ang I39.CG1 and W45.CH2 other bump:2.90395 Ang I39.C and W45.CH2 other bump:2.74136 Ang A40.N and W45.CH2 other bump:2.78906 Ang A40.CA and W45.CH2 other bump:3.21061 Ang A40.CB and W45.CH2 other bump:3.21726 Ang I39.CG1 and W45.CZ3 other bump:3.15932 Ang I39.CD1 and W45.CZ3 other bump:3.13019 Ang I39.CA and W45.CZ2 other bump:1.74745 Ang I39.O and W45.CZ2 other bump:1.95371 Ang I39.C and W45.CZ2 other bump:2.23517 Ang A40.N and W45.CZ2 other bump:2.35384 Ang A40.CA and W45.CZ2 other bump:1.8831 Ang I39.O and W45.NE1 other bump:2.95926 Ang I39.C and W45.NE1 other bump:3.27416 Ang I39.CD1 and W45.CE3 other bump:1.87299 Ang I39.O and W45.CE2 other bump:2.58854 Ang I39.C and W45.CE2 other bump:3.19772 Ang V23.CA and P43.CD other bump:2.12949 Ang V23.O and P43.CD other bump:2.95234 Ang V23.C and P43.CD other bump:2.4292 Ang V23.O and P43.CG other bump:3.19189 Ang V23.C and P43.CG other bump:2.768 Ang V23.N and P43.CG other bump:1.62751 Ang R13.NH2 and V38.CG2 other bump:1.57308 Ang R13.CZ and V38.CG2 other bump:2.77648 Ang R13.CD and V38.CG2 other bump:1.39987 Ang R13.NE and V38.CG2 other bump:2.84478 Ang R13.NH1 and V38.CG2 other bump:3.07132 Ang R13.NH2 and V38.CB other bump:2.39721 Ang R13.NE and V38.CB other bump:3.13569 Ang R13.CD and V38.CA other bump:2.68255 Ang R13.NE and V38.CA other bump:3.07588 Ang V31.CA and R35.CD other bump:2.55966 Ang V31.CG1 and R35.CB other bump:2.44701 Ang V27.CG2 and V31.CG2 other bump:2.78656 Ang A15.O and F19.CE2 other bump:2.2097 Ang A15.O and F19.CD2 other bump:3.17412 Ang F14.CZ and V18.CG2 other bump:1.52704 Ang F14.CE1 and R17.NH2 other bump:2.24005 Ang F14.CZ and R17.NH2 other bump:2.58301 Ang F14.CE1 and R17.CZ T0187 116 :DSSTSEDALKVLEKYGIETSESVKRAILQETPKHL 1dciA 198 :DVGLAADVGTLQRLPKVIGNRSLVNELTFTARKMM Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.45097 Ang R26.NH2 and Q30.NE2 other bump:2.55158 Ang Y16.OH and L29.CD1 other bump:2.98937 Ang Y16.CZ and L29.CD1 other bump:2.63683 Ang Y16.OH and R26.CD other bump:0.986775 Ang Y16.CG and K25.NZ other bump:2.11873 Ang Y16.CD2 and K25.NZ other bump:1.46251 Ang Y16.CD1 and K25.NZ other bump:2.61108 Ang Y16.CE1 and K25.NZ other bump:2.53257 Ang Y16.CA and K25.NZ other bump:1.48644 Ang Y16.CB and K25.NZ other bump:1.2897 Ang Y16.CG and K25.CE other bump:2.46814 Ang Y16.CD2 and K25.CE other bump:0.540347 Ang Y16.CD1 and K25.CE other bump:1.83148 Ang Y16.CE1 and K25.CE other bump:2.77307 Ang Y16.CZ and K25.CE other bump:2.52991 Ang Y16.CA and K25.CE other bump:2.22576 Ang Y16.CB and K25.CE other bump:2.70992 Ang Y16.CG and K25.CD other bump:1.70112 Ang Y16.CD1 and K25.CD other bump:2.60918 Ang Y16.CA and K25.CD other bump:2.59761 Ang Y16.CD1 and K25.CG other bump:2.72583 Ang Y16.CD1 and K25.CB other bump:2.18111 Ang Y16.CE1 and K25.CB other bump:2.44228 Ang E7.OE2 and K11.CD other bump:2.91184 Ang E7.CD and K11.CD other bump:3.00784 Ang E7.CD and K11.CG other bump:2.46263 Ang E7.OE1 and K11.CG other bump:2.11839 Ang E7.CD and K11.CB other bump:1.22303 Ang E7.OE1 and K11.CB other bump:2.35022 Ang E7.OE1 and K11.CA neighbor-bump: 2.4794 Ang A9.O and L10.CD1 neighbor-bump: 1.6876 Ang A9.O and L10.CG neighbor-bump: 2.61198 Ang A9.C and L10.CG neighbor-bump: 2.12575 Ang A9.O and L10.CB neighbor-bump: 2.55818 Ang A9.C and L10.CB Number of specific fragments= 6 total=634 Number of alignments=145 # Reading fragments from alignment file # T0187 read from T0187-1dciA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1dciA read from T0187-1dciA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1dciA in template set T0187 1 :PV 1dciA 53 :AY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues self-bump: 1.3696 Ang P1.CA and P1.CB T0187 4 :DENTIKTTRRVLELVDQLNENDTVLF 1dciA 81 :NRAFWRELVECFQKISKDSDCRAVVV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues neighbor-bump: 2.51288 Ang D23.O and T24.CG2 T0187 32 :SGGGSS 1dciA 107 :SGAGKM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 42 :PLEGVSLEEIQ 1dciA 113 :FTSGIDLMDMA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.18324 Ang V6.CG1 and I11.CD1 other bump:2.71066 Ang V6.CB and I11.CD1 other bump:2.25661 Ang V6.CG2 and I11.CD1 other bump:2.71985 Ang V6.CG1 and I11.CG1 other bump:3.14621 Ang L3.CG and G5.N self-bump: 1.35776 Ang P2.CA and P2.CB T0187 55 :TSALLKSGASIEEIN 1dciA 124 :SDILQPPGDDVARIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 70 :TVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIAS 1dciA 140 :YLRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.57308 Ang R14.CZ and V39.CG2 other bump:1.62751 Ang R14.NH2 and V39.CG2 other bump:2.77648 Ang R14.CD and V39.CG2 other bump:1.39987 Ang R14.NE and V39.CG2 other bump:2.84478 Ang R14.NH1 and V39.CG2 other bump:3.07132 Ang R14.NH2 and V39.CB other bump:2.39721 Ang R14.NE and V39.CB other bump:3.13569 Ang R14.CD and V39.CA other bump:2.68255 Ang R14.NE and V39.CA other bump:3.07588 Ang V32.CA and R36.CD other bump:2.55966 Ang V32.CG1 and R36.CB other bump:2.44701 Ang V28.CG2 and V32.CG2 other bump:2.78656 Ang A16.O and F20.CE2 other bump:2.2097 Ang A16.O and F20.CD2 other bump:3.17412 Ang F15.CZ and V19.CG2 other bump:1.52704 Ang F15.CE1 and R18.NH2 other bump:2.24005 Ang F15.CZ and R18.NH2 other bump:2.58301 Ang F15.CE1 and R18.CZ T0187 116 :DSSTSEDALKVLEKYGIETSESVKRAILQETPK 1dciA 198 :DVGLAADVGTLQRLPKVIGNRSLVNELTFTARK Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.45097 Ang R26.NH2 and Q30.NE2 other bump:2.55158 Ang Y16.OH and L29.CD1 other bump:2.98937 Ang Y16.CZ and L29.CD1 other bump:2.63683 Ang Y16.OH and R26.CD other bump:0.986775 Ang Y16.CG and K25.NZ other bump:2.11873 Ang Y16.CD2 and K25.NZ other bump:1.46251 Ang Y16.CD1 and K25.NZ other bump:2.61108 Ang Y16.CE1 and K25.NZ other bump:2.53257 Ang Y16.CA and K25.NZ other bump:1.48644 Ang Y16.CB and K25.NZ other bump:1.2897 Ang Y16.CG and K25.CE other bump:2.46814 Ang Y16.CD2 and K25.CE other bump:0.540347 Ang Y16.CD1 and K25.CE other bump:1.83148 Ang Y16.CE1 and K25.CE other bump:2.77307 Ang Y16.CZ and K25.CE other bump:2.52991 Ang Y16.CA and K25.CE other bump:2.22576 Ang Y16.CB and K25.CE other bump:2.70992 Ang Y16.CG and K25.CD other bump:1.70112 Ang Y16.CD1 and K25.CD other bump:2.60918 Ang Y16.CA and K25.CD other bump:2.59761 Ang Y16.CD1 and K25.CG other bump:2.72583 Ang Y16.CD1 and K25.CB other bump:2.18111 Ang Y16.CE1 and K25.CB other bump:2.44228 Ang E7.OE2 and K11.CD other bump:2.91184 Ang E7.CD and K11.CD other bump:3.00784 Ang E7.CD and K11.CG other bump:2.46263 Ang E7.OE1 and K11.CG other bump:2.11839 Ang E7.CD and K11.CB other bump:1.22303 Ang E7.OE1 and K11.CB other bump:2.35022 Ang E7.OE1 and K11.CA neighbor-bump: 2.4794 Ang A9.O and L10.CD1 neighbor-bump: 1.6876 Ang A9.O and L10.CG neighbor-bump: 2.61198 Ang A9.C and L10.CG neighbor-bump: 2.12575 Ang A9.O and L10.CB neighbor-bump: 2.55818 Ang A9.C and L10.CB Number of specific fragments= 7 total=641 Number of alignments=146 # Reading fragments from alignment file # T0187 read from T0187-1dciA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1dciA read from T0187-1dciA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1dciA in template set T0187 1 :PV 1dciA 53 :AY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues self-bump: 1.3696 Ang P1.CA and P1.CB T0187 3 :PDENTIKTTRRVLELVDQ 1dciA 80 :MNRAFWRELVECFQKISK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 22 :NENDTVLFLLSGG 1dciA 98 :DSDCRAVVVSGAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 37 :SLFEL 1dciA 111 :KMFTS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.98606 Ang L3.CD2 and L6.N other bump:2.84264 Ang L3.CD2 and E5.C neighbor-bump: 2.26309 Ang F4.O and E5.CG T0187 45 :GVSLEEI 1dciA 116 :GIDLMDM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.18323 Ang V3.CG1 and I8.CD1 other bump:2.25661 Ang V3.CG2 and I8.CD1 other bump:2.71065 Ang V3.CB and I8.CD1 other bump:2.71984 Ang V3.CG1 and I8.CG1 T0187 52 :QKLTSALLKS 1dciA 135 :ARIAWYLRDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 65 :IEEINTVRKHLSQVK 1dciA 145 :ISRYQKTFTVIEKCP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.52573 Ang H11.O and V15.CG2 other bump:2.49993 Ang K10.CE and Q14.NE2 other bump:2.65595 Ang T7.OG1 and H11.NE2 other bump:2.65331 Ang T7.OG1 and H11.CD2 neighbor-bump: 2.89666 Ang V8.CG1 and R9.NH1 other bump:2.40749 Ang E4.O and T7.CG2 T0187 80 :GGRFAER 1dciA 172 :GGGVDLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 88 :FPAKVVALV 1dciA 179 :SACDIRYCT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.40956 Ang F2.N and P3.CD neighbor-bump: 1.98675 Ang F2.C and P3.CD self-bump: 1.33908 Ang P3.N and P3.CD self-bump: 2.20089 Ang P3.N and P3.CG T0187 97 :LSDV 1dciA 202 :AADV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 101 :LGDRLDVIA 1dciA 214 :VIGNRSLVN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8431 Ang L6.CD1 and I9.CD1 other bump:2.63581 Ang R5.CD and V8.CG2 T0187 110 :SGPAW 1dciA 239 :SGLVS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.97888 Ang S2.CB and P4.CD other bump:1.7509 Ang S2.OG and P4.CD T0187 115 :PDS 1dciA 247 :PDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 118 :STSEDALKVLEKY 1dciA 284 :HSVDESLDYMATW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 131 :GIE 1dciA 301 :LQT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 136 :ESVKRAILQETPK 1dciA 308 :KSVQAAMEKKDSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues Number of specific fragments= 16 total=657 Number of alignments=147 # Reading fragments from alignment file # T0187 read from T0187-1dciA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1dciA read from T0187-1dciA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1dciA in template set T0187 1 :PV 1dciA 53 :AY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues self-bump: 1.3696 Ang P1.CA and P1.CB T0187 3 :PDENTIKTTRRVLELVDQ 1dciA 80 :MNRAFWRELVECFQKISK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 22 :NENDTVLFLLSGG 1dciA 98 :DSDCRAVVVSGAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 37 :SLFEL 1dciA 111 :KMFTS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.98606 Ang L3.CD2 and L6.N other bump:2.84264 Ang L3.CD2 and E5.C neighbor-bump: 2.26309 Ang F4.O and E5.CG T0187 45 :GVSLEEIQ 1dciA 116 :GIDLMDMA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.18324 Ang V3.CG1 and I8.CD1 other bump:2.71066 Ang V3.CB and I8.CD1 other bump:2.25661 Ang V3.CG2 and I8.CD1 other bump:2.71985 Ang V3.CG1 and I8.CG1 T0187 53 :KLTSALLKS 1dciA 136 :RIAWYLRDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 65 :IEEINTVRKHLSQVK 1dciA 145 :ISRYQKTFTVIEKCP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.52573 Ang H11.O and V15.CG2 other bump:2.49993 Ang K10.CE and Q14.NE2 other bump:2.65595 Ang T7.OG1 and H11.NE2 other bump:2.65331 Ang T7.OG1 and H11.CD2 neighbor-bump: 2.89666 Ang V8.CG1 and R9.NH1 other bump:2.40749 Ang E4.O and T7.CG2 T0187 80 :GGRFAE 1dciA 172 :GGGVDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 87 :VFPAKVVALV 1dciA 178 :ISACDIRYCT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:3.10019 Ang G1.C and P4.CD neighbor-bump: 2.40956 Ang F3.N and P4.CD neighbor-bump: 1.98675 Ang F3.C and P4.CD self-bump: 1.33909 Ang P4.N and P4.CD self-bump: 2.20089 Ang P4.N and P4.CG T0187 97 :L 1dciA 192 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 98 :SDV 1dciA 203 :ADV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 101 :LGDRLDVIA 1dciA 214 :VIGNRSLVN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8431 Ang L6.CD1 and I9.CD1 other bump:2.63581 Ang R5.CD and V8.CG2 T0187 110 :SGPAW 1dciA 239 :SGLVS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.97888 Ang S2.CB and P4.CD other bump:1.7509 Ang S2.OG and P4.CD T0187 118 :STSEDALKVLEKY 1dciA 284 :HSVDESLDYMATW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 131 :GIE 1dciA 301 :LQT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 136 :ESVKRAILQETPK 1dciA 308 :KSVQAAMEKKDSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues Number of specific fragments= 16 total=673 Number of alignments=148 # Reading fragments from alignment file # T0187 read from T0187-1dciA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1dciA read from T0187-1dciA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1dciA in template set T0187 1 :PVPDENTIKTTRRVLELVDQLNENDTVLFLLSG 1dciA 78 :NAMNRAFWRELVECFQKISKDSDCRAVVVSGAG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.51288 Ang D25.O and T26.CG2 self-bump: 2.176 Ang P1.CA and P1.CD T0187 40 :ELPLEGVSLEEIQ 1dciA 111 :KMFTSGIDLMDMA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.18324 Ang V8.CG1 and I13.CD1 other bump:2.71066 Ang V8.CB and I13.CD1 other bump:2.25661 Ang V8.CG2 and I13.CD1 other bump:2.71985 Ang V8.CG1 and I13.CG1 other bump:3.1462 Ang L5.CG and G7.N other bump:2.98605 Ang L3.CD2 and E6.N other bump:2.84264 Ang L3.CD2 and L5.C self-bump: 1.35776 Ang P4.CA and P4.CB T0187 55 :TSALLKSGASIEEINT 1dciA 124 :SDILQPPGDDVARIAW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 71 :VRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIAS 1dciA 141 :LRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.62751 Ang R13.NH2 and V38.CG2 other bump:1.57308 Ang R13.CZ and V38.CG2 other bump:2.77648 Ang R13.CD and V38.CG2 other bump:1.39987 Ang R13.NE and V38.CG2 other bump:2.84478 Ang R13.NH1 and V38.CG2 other bump:3.07132 Ang R13.NH2 and V38.CB other bump:2.39721 Ang R13.NE and V38.CB other bump:3.13569 Ang R13.CD and V38.CA other bump:2.68255 Ang R13.NE and V38.CA other bump:3.07588 Ang V31.CA and R35.CD other bump:2.55966 Ang V31.CG1 and R35.CB other bump:2.44701 Ang V27.CG2 and V31.CG2 other bump:2.78656 Ang A15.O and F19.CE2 other bump:2.2097 Ang A15.O and F19.CD2 other bump:3.17412 Ang F14.CZ and V18.CG2 other bump:1.52704 Ang F14.CE1 and R17.NH2 other bump:2.24005 Ang F14.CZ and R17.NH2 other bump:2.58301 Ang F14.CE1 and R17.CZ Number of specific fragments= 4 total=677 Number of alignments=149 # Reading fragments from alignment file # T0187 read from T0187-1dciA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1dciA read from T0187-1dciA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1dciA in template set T0187 3 :PDENTIKTTRRVLELVDQLNENDTVLF 1dciA 80 :MNRAFWRELVECFQKISKDSDCRAVVV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.51288 Ang D24.O and T25.CG2 T0187 32 :SGGGSS 1dciA 107 :SGAGKM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 42 :PLEGVSLEEIQ 1dciA 113 :FTSGIDLMDMA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.18324 Ang V6.CG1 and I11.CD1 other bump:2.71066 Ang V6.CB and I11.CD1 other bump:2.25661 Ang V6.CG2 and I11.CD1 other bump:2.71985 Ang V6.CG1 and I11.CG1 other bump:3.14621 Ang L3.CG and G5.N self-bump: 1.35776 Ang P2.CA and P2.CB T0187 55 :TSALLKSGASIEEIN 1dciA 124 :SDILQPPGDDVARIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 70 :TVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIAS 1dciA 140 :YLRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.57308 Ang R14.CZ and V39.CG2 other bump:1.62751 Ang R14.NH2 and V39.CG2 other bump:2.77648 Ang R14.CD and V39.CG2 other bump:1.39987 Ang R14.NE and V39.CG2 other bump:2.84478 Ang R14.NH1 and V39.CG2 other bump:3.07132 Ang R14.NH2 and V39.CB other bump:2.39721 Ang R14.NE and V39.CB other bump:3.13569 Ang R14.CD and V39.CA other bump:2.68255 Ang R14.NE and V39.CA other bump:3.07588 Ang V32.CA and R36.CD other bump:2.55966 Ang V32.CG1 and R36.CB other bump:2.44701 Ang V28.CG2 and V32.CG2 other bump:2.78656 Ang A16.O and F20.CE2 other bump:2.2097 Ang A16.O and F20.CD2 other bump:3.17412 Ang F15.CZ and V19.CG2 other bump:1.52704 Ang F15.CE1 and R18.NH2 other bump:2.24005 Ang F15.CZ and R18.NH2 other bump:2.58301 Ang F15.CE1 and R18.CZ Number of specific fragments= 5 total=682 Number of alignments=150 # Reading fragments from alignment file # T0187 read from T0187-1dciA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1dciA read from T0187-1dciA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1dciA in template set T0187 1 :PVPDENTIKTTRRVLELVDQLNENDTVLFLLSG 1dciA 78 :NAMNRAFWRELVECFQKISKDSDCRAVVVSGAG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.51288 Ang D25.O and T26.CG2 self-bump: 2.176 Ang P1.CA and P1.CD T0187 40 :ELPLEGVSLEEIQ 1dciA 111 :KMFTSGIDLMDMA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.18324 Ang V8.CG1 and I13.CD1 other bump:2.71066 Ang V8.CB and I13.CD1 other bump:2.25661 Ang V8.CG2 and I13.CD1 other bump:2.71985 Ang V8.CG1 and I13.CG1 other bump:3.1462 Ang L5.CG and G7.N other bump:2.98605 Ang L3.CD2 and E6.N other bump:2.84264 Ang L3.CD2 and L5.C self-bump: 1.35776 Ang P4.CA and P4.CB T0187 55 :TSALLKSGASIEEINT 1dciA 124 :SDILQPPGDDVARIAW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 71 :VRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIAS 1dciA 141 :LRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.62751 Ang R13.NH2 and V38.CG2 other bump:1.57308 Ang R13.CZ and V38.CG2 other bump:2.77648 Ang R13.CD and V38.CG2 other bump:1.39987 Ang R13.NE and V38.CG2 other bump:2.84478 Ang R13.NH1 and V38.CG2 other bump:3.07132 Ang R13.NH2 and V38.CB other bump:2.39721 Ang R13.NE and V38.CB other bump:3.13569 Ang R13.CD and V38.CA other bump:2.68255 Ang R13.NE and V38.CA other bump:3.07588 Ang V31.CA and R35.CD other bump:2.55966 Ang V31.CG1 and R35.CB other bump:2.44701 Ang V27.CG2 and V31.CG2 other bump:2.78656 Ang A15.O and F19.CE2 other bump:2.2097 Ang A15.O and F19.CD2 other bump:3.17412 Ang F14.CZ and V18.CG2 other bump:1.52704 Ang F14.CE1 and R17.NH2 other bump:2.24005 Ang F14.CZ and R17.NH2 other bump:2.58301 Ang F14.CE1 and R17.CZ Number of specific fragments= 4 total=686 Number of alignments=151 # Reading fragments from alignment file # T0187 read from T0187-1dciA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1dciA read from T0187-1dciA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1dciA in template set T0187 3 :PDENTIKTTRRVLELVDQLNENDTVLF 1dciA 80 :MNRAFWRELVECFQKISKDSDCRAVVV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.51288 Ang D24.O and T25.CG2 T0187 32 :SGGGSS 1dciA 107 :SGAGKM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 42 :PLEGVSLEEIQ 1dciA 113 :FTSGIDLMDMA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.18324 Ang V6.CG1 and I11.CD1 other bump:2.71066 Ang V6.CB and I11.CD1 other bump:2.25661 Ang V6.CG2 and I11.CD1 other bump:2.71985 Ang V6.CG1 and I11.CG1 other bump:3.14621 Ang L3.CG and G5.N self-bump: 1.35776 Ang P2.CA and P2.CB T0187 55 :TSALLKSGASIEEIN 1dciA 124 :SDILQPPGDDVARIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 70 :TVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIAS 1dciA 140 :YLRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.57308 Ang R14.CZ and V39.CG2 other bump:1.62751 Ang R14.NH2 and V39.CG2 other bump:2.77648 Ang R14.CD and V39.CG2 other bump:1.39987 Ang R14.NE and V39.CG2 other bump:2.84478 Ang R14.NH1 and V39.CG2 other bump:3.07132 Ang R14.NH2 and V39.CB other bump:2.39721 Ang R14.NE and V39.CB other bump:3.13569 Ang R14.CD and V39.CA other bump:2.68255 Ang R14.NE and V39.CA other bump:3.07588 Ang V32.CA and R36.CD other bump:2.55966 Ang V32.CG1 and R36.CB other bump:2.44701 Ang V28.CG2 and V32.CG2 other bump:2.78656 Ang A16.O and F20.CE2 other bump:2.2097 Ang A16.O and F20.CD2 other bump:3.17412 Ang F15.CZ and V19.CG2 other bump:1.52704 Ang F15.CE1 and R18.NH2 other bump:2.24005 Ang F15.CZ and R18.NH2 other bump:2.58301 Ang F15.CE1 and R18.CZ Number of specific fragments= 5 total=691 Number of alignments=152 # Reading fragments from alignment file # T0187 read from T0187-1dciA-local-adpstyle1.pw.a2m.gz # 1dciA read from T0187-1dciA-local-adpstyle1.pw.a2m.gz # found chain 1dciA in template set T0187 12 :RRVLELVDQLNENDTVLFLLSGGGSSLFEL 1dciA 86 :RELVECFQKISKDSDCRAVVVSGAGKMFTS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.98606 Ang L28.CD2 and L31.N other bump:2.84264 Ang L28.CD2 and E30.C neighbor-bump: 2.26309 Ang F29.O and E30.CG other bump:2.48875 Ang L11.CD1 and L20.CD2 T0187 47 :SLEEIQKLTSALLKSGASIEEINT 1dciA 116 :GIDLMDMASDILQPPGDDVARIAW Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:1.559 Ang L9.CD2 and L13.CD1 other bump:2.95848 Ang L9.CG and L13.CG other bump:1.44918 Ang L9.CD2 and L13.CG other bump:2.02439 Ang L9.CD2 and L13.CB other bump:2.17573 Ang L3.CD2 and K8.CD T0187 71 :VRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIAS 1dciA 141 :LRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.62751 Ang R13.NH2 and V38.CG2 other bump:1.57308 Ang R13.CZ and V38.CG2 other bump:2.77648 Ang R13.CD and V38.CG2 other bump:1.39987 Ang R13.NE and V38.CG2 other bump:2.84478 Ang R13.NH1 and V38.CG2 other bump:3.07132 Ang R13.NH2 and V38.CB other bump:2.39721 Ang R13.NE and V38.CB other bump:3.13569 Ang R13.CD and V38.CA other bump:2.68255 Ang R13.NE and V38.CA other bump:3.07588 Ang V31.CA and R35.CD other bump:2.55966 Ang V31.CG1 and R35.CB other bump:2.44701 Ang V27.CG2 and V31.CG2 other bump:2.78656 Ang A15.O and F19.CE2 other bump:2.2097 Ang A15.O and F19.CD2 other bump:3.17412 Ang F14.CZ and V18.CG2 other bump:1.52704 Ang F14.CE1 and R17.NH2 other bump:2.24005 Ang F14.CZ and R17.NH2 other bump:2.58301 Ang F14.CE1 and R17.CZ Number of specific fragments= 3 total=694 Number of alignments=153 # Reading fragments from alignment file # T0187 read from T0187-1dciA-local-adpstyle5.pw.a2m.gz # 1dciA read from T0187-1dciA-local-adpstyle5.pw.a2m.gz # found chain 1dciA in template set T0187 11 :TRRVLELVDQLN 1dciA 85 :WRELVECFQKIS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.73177 Ang D10.CA and N13.OD1 other bump:1.31069 Ang D10.O and N13.OD1 other bump:2.19127 Ang D10.C and N13.OD1 other bump:2.52687 Ang D10.O and N13.CG other bump:3.25584 Ang D10.C and N13.CG T0187 23 :ENDTVLFLLSGGGSS 1dciA 98 :DSDCRAVVVSGAGKM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:1.65595 Ang F8.CZ and L10.CD2 other bump:1.21253 Ang F8.CE2 and L10.CD2 other bump:3.04993 Ang F8.CE2 and L10.CD1 other bump:2.09282 Ang F8.CE2 and L10.CG T0187 39 :FE 1dciA 113 :FT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues neighbor-bump: 2.26309 Ang F2.O and E3.CG T0187 44 :EGVSLEE 1dciA 115 :SGIDLMD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 53 :KLTSALLKSGASIEEIN 1dciA 122 :MASDILQPPGDDVARIA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.559 Ang L3.CD2 and L7.CD1 other bump:2.95849 Ang L3.CG and L7.CG other bump:1.44919 Ang L3.CD2 and L7.CG other bump:2.02439 Ang L3.CD2 and L7.CB T0187 70 :TVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASGP 1dciA 140 :YLRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISACD Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:3.2175 Ang V24.CA and P44.CD other bump:2.95481 Ang V24.C and P44.CD other bump:2.12475 Ang V24.O and P44.CD other bump:3.02072 Ang V24.N and P44.CG other bump:1.57308 Ang R14.CZ and V39.CG2 other bump:1.62751 Ang R14.NH2 and V39.CG2 other bump:2.77648 Ang R14.CD and V39.CG2 other bump:1.39987 Ang R14.NE and V39.CG2 other bump:2.84478 Ang R14.NH1 and V39.CG2 other bump:3.07132 Ang R14.NH2 and V39.CB other bump:2.39721 Ang R14.NE and V39.CB other bump:3.13569 Ang R14.CD and V39.CA other bump:2.68255 Ang R14.NE and V39.CA other bump:3.07588 Ang V32.CA and R36.CD other bump:2.55966 Ang V32.CG1 and R36.CB other bump:2.44701 Ang V28.CG2 and V32.CG2 other bump:2.78656 Ang A16.O and F20.CE2 other bump:2.2097 Ang A16.O and F20.CD2 other bump:3.17412 Ang F15.CZ and V19.CG2 other bump:1.52704 Ang F15.CE1 and R18.NH2 other bump:2.24005 Ang F15.CZ and R18.NH2 other bump:2.58301 Ang F15.CE1 and R18.CZ Number of specific fragments= 6 total=700 Number of alignments=154 # Reading fragments from alignment file # T0187 read from T0187-1dciA-simpleSW-adpstyle1.pw.a2m.gz # 1dciA read from T0187-1dciA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1dciA in template set T0187 89 :PAKVVALVLSDVLGDRLDVI 1dciA 159 :PKPVIAAIHGGCIGGGVDLI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:3.07588 Ang V13.CA and R17.CD other bump:2.55966 Ang V13.CG1 and R17.CB other bump:2.44701 Ang V9.CG2 and V13.CG2 Number of specific fragments= 1 total=701 Number of alignments=155 # Reading fragments from alignment file # T0187 read from T0187-1dciA-simpleSW-adpstyle5.pw.a2m.gz # 1dciA read from T0187-1dciA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1dciA in template set T0187 12 :RRVLELVDQLNENDTVLFLLSGGGSSLFE 1dciA 86 :RELVECFQKISKDSDCRAVVVSGAGKMFT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.98606 Ang L28.CD2 and G31.N other bump:2.84264 Ang L28.CD2 and E30.C neighbor-bump: 2.26309 Ang F29.O and E30.CG other bump:2.48875 Ang L11.CD1 and L20.CD2 T0187 44 :EGVSLEE 1dciA 115 :SGIDLMD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 53 :KLTSALLKSGASIEEINT 1dciA 122 :MASDILQPPGDDVARIAW Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.559 Ang L3.CD2 and L7.CD1 other bump:2.95849 Ang L3.CG and L7.CG other bump:1.44919 Ang L3.CD2 and L7.CG other bump:2.02439 Ang L3.CD2 and L7.CB T0187 71 :VRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASG 1dciA 141 :LRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISAC Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.62751 Ang R13.NH2 and V38.CG2 other bump:1.57308 Ang R13.CZ and V38.CG2 other bump:2.77648 Ang R13.CD and V38.CG2 other bump:1.39987 Ang R13.NE and V38.CG2 other bump:2.84478 Ang R13.NH1 and V38.CG2 other bump:3.07132 Ang R13.NH2 and V38.CB other bump:2.39721 Ang R13.NE and V38.CB other bump:3.13569 Ang R13.CD and V38.CA other bump:2.68255 Ang R13.NE and V38.CA other bump:3.07588 Ang V31.CA and R35.CD other bump:2.55966 Ang V31.CG1 and R35.CB other bump:2.44701 Ang V27.CG2 and V31.CG2 other bump:2.78656 Ang A15.O and F19.CE2 other bump:2.2097 Ang A15.O and F19.CD2 other bump:3.17412 Ang F14.CZ and V18.CG2 other bump:1.52704 Ang F14.CE1 and R17.NH2 other bump:2.24005 Ang F14.CZ and R17.NH2 other bump:2.58301 Ang F14.CE1 and R17.CZ Number of specific fragments= 4 total=705 Number of alignments=156 # Reading fragments from alignment file # T0187 read from T0187-1dciA-vit-adpstyle1.pw.a2m.gz # 1dciA read from T0187-1dciA-vit-adpstyle1.pw.a2m.gz # found chain 1dciA in template set T0187 12 :RRVLELVDQLNENDTVLFLLSGGGSSLFEL 1dciA 86 :RELVECFQKISKDSDCRAVVVSGAGKMFTS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.98606 Ang L28.CD2 and L31.N other bump:2.84264 Ang L28.CD2 and E30.C neighbor-bump: 2.26309 Ang F29.O and E30.CG other bump:2.48875 Ang L11.CD1 and L20.CD2 T0187 47 :SLEEIQKLTSALLKSGASIEEINT 1dciA 116 :GIDLMDMASDILQPPGDDVARIAW Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:1.559 Ang L9.CD2 and L13.CD1 other bump:2.95848 Ang L9.CG and L13.CG other bump:1.44918 Ang L9.CD2 and L13.CG other bump:2.02439 Ang L9.CD2 and L13.CB other bump:2.17573 Ang L3.CD2 and K8.CD T0187 71 :VRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIAS 1dciA 141 :LRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.62751 Ang R13.NH2 and V38.CG2 other bump:1.57308 Ang R13.CZ and V38.CG2 other bump:2.77648 Ang R13.CD and V38.CG2 other bump:1.39987 Ang R13.NE and V38.CG2 other bump:2.84478 Ang R13.NH1 and V38.CG2 other bump:3.07132 Ang R13.NH2 and V38.CB other bump:2.39721 Ang R13.NE and V38.CB other bump:3.13569 Ang R13.CD and V38.CA other bump:2.68255 Ang R13.NE and V38.CA other bump:3.07588 Ang V31.CA and R35.CD other bump:2.55966 Ang V31.CG1 and R35.CB other bump:2.44701 Ang V27.CG2 and V31.CG2 other bump:2.78656 Ang A15.O and F19.CE2 other bump:2.2097 Ang A15.O and F19.CD2 other bump:3.17412 Ang F14.CZ and V18.CG2 other bump:1.52704 Ang F14.CE1 and R17.NH2 other bump:2.24005 Ang F14.CZ and R17.NH2 other bump:2.58301 Ang F14.CE1 and R17.CZ Number of specific fragments= 3 total=708 Number of alignments=157 # Reading fragments from alignment file # T0187 read from T0187-1dciA-vit-adpstyle5.pw.a2m.gz # 1dciA read from T0187-1dciA-vit-adpstyle5.pw.a2m.gz # found chain 1dciA in template set T0187 11 :TRRVLELVDQLN 1dciA 85 :WRELVECFQKIS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.73177 Ang D10.CA and N13.OD1 other bump:1.31069 Ang D10.O and N13.OD1 other bump:2.19127 Ang D10.C and N13.OD1 other bump:2.52687 Ang D10.O and N13.CG other bump:3.25584 Ang D10.C and N13.CG T0187 23 :ENDTVLFLLSGGGSS 1dciA 98 :DSDCRAVVVSGAGKM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:1.65595 Ang F8.CZ and L10.CD2 other bump:1.21253 Ang F8.CE2 and L10.CD2 other bump:3.04993 Ang F8.CE2 and L10.CD1 other bump:2.09282 Ang F8.CE2 and L10.CG T0187 39 :FE 1dciA 113 :FT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues neighbor-bump: 2.26309 Ang F2.O and E3.CG T0187 44 :EGVSLEE 1dciA 115 :SGIDLMD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 53 :KLTSALLKSGASIEEIN 1dciA 122 :MASDILQPPGDDVARIA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.559 Ang L3.CD2 and L7.CD1 other bump:2.95849 Ang L3.CG and L7.CG other bump:1.44919 Ang L3.CD2 and L7.CG other bump:2.02439 Ang L3.CD2 and L7.CB T0187 70 :TVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGDRLDVIASGP 1dciA 140 :YLRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISACD Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:3.2175 Ang V24.CA and P44.CD other bump:2.95481 Ang V24.C and P44.CD other bump:2.12475 Ang V24.O and P44.CD other bump:3.02072 Ang V24.N and P44.CG other bump:1.57308 Ang R14.CZ and V39.CG2 other bump:1.62751 Ang R14.NH2 and V39.CG2 other bump:2.77648 Ang R14.CD and V39.CG2 other bump:1.39987 Ang R14.NE and V39.CG2 other bump:2.84478 Ang R14.NH1 and V39.CG2 other bump:3.07132 Ang R14.NH2 and V39.CB other bump:2.39721 Ang R14.NE and V39.CB other bump:3.13569 Ang R14.CD and V39.CA other bump:2.68255 Ang R14.NE and V39.CA other bump:3.07588 Ang V32.CA and R36.CD other bump:2.55966 Ang V32.CG1 and R36.CB other bump:2.44701 Ang V28.CG2 and V32.CG2 other bump:2.78656 Ang A16.O and F20.CE2 other bump:2.2097 Ang A16.O and F20.CD2 other bump:3.17412 Ang F15.CZ and V19.CG2 other bump:1.52704 Ang F15.CE1 and R18.NH2 other bump:2.24005 Ang F15.CZ and R18.NH2 other bump:2.58301 Ang F15.CE1 and R18.CZ Number of specific fragments= 6 total=714 Number of alignments=158 # Prefix for input files set to 1xxcA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1xxcA-T0187-local-adpstyle1.pw.a2m.gz # 1xxcA read from 1xxcA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1xxcA in template set T0187 16 :ELVDQLNENDTVLFLLSGGGSSL 1xxcA 110 :RLLDSLGKAEGILGTIAGDDTIF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.63706 Ang L16.CD2 and S18.OG neighbor-bump: 2.60493 Ang L14.CD1 and F15.CE2 neighbor-bump: 2.14185 Ang L14.CD1 and F15.CD2 neighbor-bump: 1.17184 Ang D11.O and T12.OG1 neighbor-bump: 2.1018 Ang D11.C and T12.OG1 neighbor-bump: 2.37412 Ang D11.O and T12.CG2 neighbor-bump: 2.77154 Ang D11.C and T12.CG2 neighbor-bump: 1.9949 Ang D11.O and T12.CB neighbor-bump: 2.45665 Ang D11.C and T12.CB other bump:3.23795 Ang E9.C and T12.N Number of specific fragments= 1 total=715 Number of alignments=159 # Reading fragments from alignment file # T0187 read from 1xxcA-T0187-local-adpstyle5.pw.a2m.gz # 1xxcA read from 1xxcA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1xxcA in template set T0187 13 :RVLELVDQLNENDTVLFLLSGGG 1xxcA 107 :LIARLLDSLGKAEGILGTIAGDD Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.01394 Ang L4.CG and S21.OG other bump:1.61343 Ang L4.CD1 and S21.OG other bump:1.78138 Ang L4.CD2 and S21.OG other bump:2.63706 Ang L19.CD2 and S21.OG other bump:2.57299 Ang L4.CG and S21.CB other bump:1.32266 Ang L4.CD1 and S21.CB other bump:3.00624 Ang L4.CD2 and S21.CB other bump:2.85534 Ang L4.CD1 and S21.CA other bump:2.1532 Ang L4.CD2 and L19.CD2 neighbor-bump: 2.60493 Ang L17.CD1 and F18.CE2 neighbor-bump: 2.14185 Ang L17.CD1 and F18.CD2 neighbor-bump: 1.17184 Ang D14.O and T15.OG1 neighbor-bump: 2.1018 Ang D14.C and T15.OG1 neighbor-bump: 2.37412 Ang D14.O and T15.CG2 neighbor-bump: 2.77154 Ang D14.C and T15.CG2 neighbor-bump: 1.9949 Ang D14.O and T15.CB neighbor-bump: 2.45665 Ang D14.C and T15.CB other bump:3.23795 Ang E12.C and T15.N T0187 37 :SLFELPLEGVSLEEIQ 1xxcA 130 :TIFTTPANGFTVKDLY Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.99866 Ang P7.N and I16.CD1 other bump:1.49518 Ang P7.CB and I16.CD1 other bump:1.9782 Ang P7.CA and I16.CD1 other bump:2.93008 Ang P7.CB and I16.CG1 other bump:2.44586 Ang V11.CG1 and I16.CG1 other bump:2.73588 Ang S12.OG and E15.CG other bump:2.62368 Ang S12.OG and E15.N Number of specific fragments= 2 total=717 Number of alignments=160 # Reading fragments from alignment file # T0187 read from 1xxcA-T0187-vit-adpstyle1.pw.a2m.gz # 1xxcA read from 1xxcA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1xxcA in template set T0187 16 :ELVDQLNENDTVLFLLSGGGSSL 1xxcA 110 :RLLDSLGKAEGILGTIAGDDTIF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.63706 Ang L16.CD2 and S18.OG neighbor-bump: 2.60493 Ang L14.CD1 and F15.CE2 neighbor-bump: 2.14185 Ang L14.CD1 and F15.CD2 neighbor-bump: 1.17184 Ang D11.O and T12.OG1 neighbor-bump: 2.1018 Ang D11.C and T12.OG1 neighbor-bump: 2.37412 Ang D11.O and T12.CG2 neighbor-bump: 2.77154 Ang D11.C and T12.CG2 neighbor-bump: 1.9949 Ang D11.O and T12.CB neighbor-bump: 2.45665 Ang D11.C and T12.CB other bump:3.23795 Ang E9.C and T12.N Number of specific fragments= 1 total=718 Number of alignments=161 # Reading fragments from alignment file # T0187 read from 1xxcA-T0187-vit-adpstyle5.pw.a2m.gz # 1xxcA read from 1xxcA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1xxcA in template set T0187 13 :RVLELVDQLNENDTVLFLLSGGG 1xxcA 107 :LIARLLDSLGKAEGILGTIAGDD Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.01394 Ang L4.CG and S21.OG other bump:1.61343 Ang L4.CD1 and S21.OG other bump:1.78138 Ang L4.CD2 and S21.OG other bump:2.63706 Ang L19.CD2 and S21.OG other bump:2.57299 Ang L4.CG and S21.CB other bump:1.32266 Ang L4.CD1 and S21.CB other bump:3.00624 Ang L4.CD2 and S21.CB other bump:2.85534 Ang L4.CD1 and S21.CA other bump:2.1532 Ang L4.CD2 and L19.CD2 neighbor-bump: 2.60493 Ang L17.CD1 and F18.CE2 neighbor-bump: 2.14185 Ang L17.CD1 and F18.CD2 neighbor-bump: 1.17184 Ang D14.O and T15.OG1 neighbor-bump: 2.1018 Ang D14.C and T15.OG1 neighbor-bump: 2.37412 Ang D14.O and T15.CG2 neighbor-bump: 2.77154 Ang D14.C and T15.CG2 neighbor-bump: 1.9949 Ang D14.O and T15.CB neighbor-bump: 2.45665 Ang D14.C and T15.CB other bump:3.23795 Ang E12.C and T15.N T0187 37 :SLFELPLEGVSLEEIQ 1xxcA 130 :TIFTTPANGFTVKDLY Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.99866 Ang P7.N and I16.CD1 other bump:1.49518 Ang P7.CB and I16.CD1 other bump:1.9782 Ang P7.CA and I16.CD1 other bump:2.93008 Ang P7.CB and I16.CG1 other bump:2.44586 Ang V11.CG1 and I16.CG1 other bump:2.73588 Ang S12.OG and E15.CG other bump:2.62368 Ang S12.OG and E15.N Number of specific fragments= 2 total=720 Number of alignments=162 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1xxcA read from T0187-1xxcA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1xxcA in template set T0187 4 :DEN 1xxcA 82 :LKN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSG 1xxcA 101 :SPGAAQLIARLLDSLGKAEGILGTIAG Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.1225 Ang R7.NH1 and G28.CA other bump:2.96178 Ang R7.NH1 and S27.C other bump:1.61343 Ang L10.CD1 and S27.OG other bump:2.01394 Ang L10.CG and S27.OG other bump:1.78138 Ang L10.CD2 and S27.OG other bump:2.63706 Ang L25.CD2 and S27.OG other bump:1.32266 Ang L10.CD1 and S27.CB other bump:2.57299 Ang L10.CG and S27.CB other bump:3.00624 Ang L10.CD2 and S27.CB other bump:2.85534 Ang L10.CD1 and S27.CA other bump:2.1532 Ang L10.CD2 and L25.CD2 neighbor-bump: 2.60493 Ang L23.CD1 and F24.CE2 neighbor-bump: 2.14185 Ang L23.CD1 and F24.CD2 neighbor-bump: 1.17184 Ang D20.O and T21.OG1 neighbor-bump: 2.1018 Ang D20.C and T21.OG1 neighbor-bump: 2.37412 Ang D20.O and T21.CG2 neighbor-bump: 2.77154 Ang D20.C and T21.CG2 neighbor-bump: 1.9949 Ang D20.O and T21.CB neighbor-bump: 2.45665 Ang D20.C and T21.CB other bump:3.23795 Ang E18.C and T21.N other bump:3.01212 Ang T5.CG2 and V9.CG1 other bump:2.17519 Ang T2.OG1 and T5.OG1 T0187 35 :GSSLFELPLEGVSLEEIQKLTSAL 1xxcA 128 :DDTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:1.49518 Ang P9.CB and I18.CD1 other bump:2.99866 Ang P9.N and I18.CD1 other bump:1.9782 Ang P9.CA and I18.CD1 other bump:2.93008 Ang P9.CB and I18.CG1 other bump:2.44586 Ang V13.CG1 and I18.CG1 other bump:2.73588 Ang S14.OG and E17.CG other bump:2.62368 Ang S14.OG and E17.N Number of specific fragments= 3 total=723 Number of alignments=163 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1xxcA read from T0187-1xxcA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1xxcA in template set T0187 4 :DEN 1xxcA 82 :LKN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 21 :LNENDTVLFLLSGGGSS 1xxcA 89 :IDYNDAVVVIHTSPGAA Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.92387 Ang L2.CG and L11.CD2 other bump:1.89285 Ang L2.CD2 and L11.CD2 other bump:2.63352 Ang L2.CD2 and L11.CG other bump:2.56752 Ang L2.CD2 and L11.CB other bump:2.90273 Ang L2.CD2 and L11.CA other bump:2.09911 Ang V8.CG1 and F10.CZ other bump:2.92162 Ang V8.CG1 and F10.CE2 other bump:2.80184 Ang V8.CG1 and F10.CE1 other bump:2.29865 Ang V8.O and F10.CE1 other bump:3.19472 Ang V8.C and F10.CE1 other bump:3.08072 Ang E4.CB and L9.CD2 other bump:3.0009 Ang E4.CG and L9.CD2 other bump:2.74656 Ang E4.OE2 and L9.CD2 neighbor-bump: 2.08569 Ang D6.O and T7.OG1 neighbor-bump: 2.80162 Ang D6.C and T7.OG1 neighbor-bump: 2.54469 Ang E4.CG and N5.N T0187 53 :KLTSALLKS 1xxcA 106 :QLIARLLDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 75 :LSQVK 1xxcA 115 :LGKAE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:3.23795 Ang Q4.C and G7.N neighbor-bump: 2.74497 Ang L2.C and S3.OG neighbor-bump: 1.94928 Ang L2.O and S3.OG T0187 91 :KVVALVL 1xxcA 120 :GILGTIA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.94247 Ang L6.CD2 and L8.CD1 other bump:2.61358 Ang L6.CD2 and L8.CG neighbor-bump: 2.40851 Ang A5.CB and L6.N self-bump: 2.15282 Ang A5.CB and A5.C self-bump: 1.23739 Ang A5.CA and A5.CB T0187 102 :GDRL 1xxcA 127 :GDDT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.49133 Ang R4.O and L5.CD1 T0187 108 :IAS 1xxcA 131 :IFT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 113 :AWPDSSTSEDALKVLEKY 1xxcA 134 :TPANGFTVKDLYEAILEL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.55972 Ang T8.OG1 and D11.N other bump:2.86484 Ang W3.CE3 and S7.C other bump:2.95809 Ang W3.CE2 and S7.O other bump:2.05598 Ang W3.CD2 and S7.O other bump:1.81846 Ang W3.CE3 and S7.O other bump:2.63054 Ang W3.CZ3 and S7.O other bump:3.15205 Ang W3.CE3 and S7.N neighbor-bump: 2.42968 Ang W3.CE3 and P4.O Number of specific fragments= 8 total=731 Number of alignments=164 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1xxcA read from T0187-1xxcA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1xxcA in template set T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxcA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.49518 Ang P10.CB and I19.CD1 other bump:2.99866 Ang P10.N and I19.CD1 other bump:1.9782 Ang P10.CA and I19.CD1 other bump:2.93008 Ang P10.CB and I19.CG1 other bump:2.44586 Ang V14.CG1 and I19.CG1 other bump:2.73588 Ang S15.OG and E18.CG other bump:2.62368 Ang S15.OG and E18.N Number of specific fragments= 1 total=732 Number of alignments=165 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1xxcA read from T0187-1xxcA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1xxcA in template set T0187 11 :TRRVLELVDQLNENDTVLFLLSG 1xxcA 105 :AQLIARLLDSLGKAEGILGTIAG Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.1225 Ang R3.NH1 and G24.CA other bump:2.96177 Ang R3.NH1 and S23.C other bump:2.01394 Ang L6.CG and S23.OG other bump:1.61343 Ang L6.CD1 and S23.OG other bump:1.78138 Ang L6.CD2 and S23.OG other bump:2.63706 Ang L21.CD2 and S23.OG other bump:2.57299 Ang L6.CG and S23.CB other bump:1.32266 Ang L6.CD1 and S23.CB other bump:3.00624 Ang L6.CD2 and S23.CB other bump:2.85534 Ang L6.CD1 and S23.CA other bump:2.1532 Ang L6.CD2 and L21.CD2 neighbor-bump: 2.60493 Ang L19.CD1 and F20.CE2 neighbor-bump: 2.14185 Ang L19.CD1 and F20.CD2 neighbor-bump: 1.17184 Ang D16.O and T17.OG1 neighbor-bump: 2.1018 Ang D16.C and T17.OG1 neighbor-bump: 2.37412 Ang D16.O and T17.CG2 neighbor-bump: 2.77154 Ang D16.C and T17.CG2 neighbor-bump: 1.9949 Ang D16.O and T17.CB neighbor-bump: 2.45665 Ang D16.C and T17.CB other bump:3.23795 Ang E14.C and T17.N T0187 35 :GSSLFELPLEGVSLEEIQKLTSAL 1xxcA 128 :DDTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:1.49518 Ang P9.CB and I18.CD1 other bump:2.99866 Ang P9.N and I18.CD1 other bump:1.9782 Ang P9.CA and I18.CD1 other bump:2.93008 Ang P9.CB and I18.CG1 other bump:2.44586 Ang V13.CG1 and I18.CG1 other bump:2.73588 Ang S14.OG and E17.CG other bump:2.62368 Ang S14.OG and E17.N Number of specific fragments= 2 total=734 Number of alignments=166 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1xxcA read from T0187-1xxcA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1xxcA in template set T0187 4 :DEN 1xxcA 82 :LKN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSG 1xxcA 101 :SPGAAQLIARLLDSLGKAEGILGTIAG Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.1225 Ang R7.NH1 and G28.CA other bump:2.96178 Ang R7.NH1 and S27.C other bump:1.61343 Ang L10.CD1 and S27.OG other bump:2.01394 Ang L10.CG and S27.OG other bump:1.78138 Ang L10.CD2 and S27.OG other bump:2.63706 Ang L25.CD2 and S27.OG other bump:1.32266 Ang L10.CD1 and S27.CB other bump:2.57299 Ang L10.CG and S27.CB other bump:3.00624 Ang L10.CD2 and S27.CB other bump:2.85534 Ang L10.CD1 and S27.CA other bump:2.1532 Ang L10.CD2 and L25.CD2 neighbor-bump: 2.60493 Ang L23.CD1 and F24.CE2 neighbor-bump: 2.14185 Ang L23.CD1 and F24.CD2 neighbor-bump: 1.17184 Ang D20.O and T21.OG1 neighbor-bump: 2.1018 Ang D20.C and T21.OG1 neighbor-bump: 2.37412 Ang D20.O and T21.CG2 neighbor-bump: 2.77154 Ang D20.C and T21.CG2 neighbor-bump: 1.9949 Ang D20.O and T21.CB neighbor-bump: 2.45665 Ang D20.C and T21.CB other bump:3.23795 Ang E18.C and T21.N other bump:3.01212 Ang T5.CG2 and V9.CG1 other bump:2.17519 Ang T2.OG1 and T5.OG1 T0187 35 :GSSLFELPLEGVSLEEIQKLTSAL 1xxcA 128 :DDTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:1.49518 Ang P9.CB and I18.CD1 other bump:2.99866 Ang P9.N and I18.CD1 other bump:1.9782 Ang P9.CA and I18.CD1 other bump:2.93008 Ang P9.CB and I18.CG1 other bump:2.44586 Ang V13.CG1 and I18.CG1 other bump:2.73588 Ang S14.OG and E17.CG other bump:2.62368 Ang S14.OG and E17.N Number of specific fragments= 3 total=737 Number of alignments=167 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1xxcA read from T0187-1xxcA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1xxcA in template set T0187 4 :DEN 1xxcA 82 :LKN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 10 :TTRRVLELVDQLNENDTVLFLLSGG 1xxcA 104 :AAQLIARLLDSLGKAEGILGTIAGD Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.47069 Ang T3.OG1 and G27.CA other bump:2.39147 Ang T3.OG1 and G27.N other bump:3.28107 Ang T3.CB and G26.C other bump:2.22738 Ang T3.OG1 and G26.C other bump:2.00807 Ang T3.OG1 and G26.O other bump:2.1225 Ang R4.NH1 and G25.CA other bump:2.96177 Ang R4.NH1 and S24.C other bump:2.01394 Ang L7.CG and S24.OG other bump:1.61343 Ang L7.CD1 and S24.OG other bump:1.78138 Ang L7.CD2 and S24.OG other bump:2.63706 Ang L22.CD2 and S24.OG other bump:2.57299 Ang L7.CG and S24.CB other bump:1.32266 Ang L7.CD1 and S24.CB other bump:3.00624 Ang L7.CD2 and S24.CB other bump:2.85534 Ang L7.CD1 and S24.CA other bump:2.1532 Ang L7.CD2 and L22.CD2 neighbor-bump: 2.60493 Ang L20.CD1 and F21.CE2 neighbor-bump: 2.14185 Ang L20.CD1 and F21.CD2 neighbor-bump: 1.17184 Ang D17.O and T18.OG1 neighbor-bump: 2.1018 Ang D17.C and T18.OG1 neighbor-bump: 2.37412 Ang D17.O and T18.CG2 neighbor-bump: 2.77154 Ang D17.C and T18.CG2 neighbor-bump: 1.9949 Ang D17.O and T18.CB neighbor-bump: 2.45665 Ang D17.C and T18.CB other bump:3.23795 Ang E15.C and T18.N other bump:3.01213 Ang T2.CG2 and V6.CG1 T0187 36 :SSLFELPL 1xxcA 129 :DTIFTTPA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 116 :DSSTSEDALKVLEKY 1xxcA 137 :NGFTVKDLYEAILEL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.55972 Ang T5.OG1 and D8.N Number of specific fragments= 4 total=741 Number of alignments=168 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1xxcA read from T0187-1xxcA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1xxcA in template set T0187 10 :TTRRVLELVDQLNENDTVLFLLSG 1xxcA 104 :AAQLIARLLDSLGKAEGILGTIAG Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.1225 Ang R4.NH1 and G25.CA other bump:2.96177 Ang R4.NH1 and S24.C other bump:2.01394 Ang L7.CG and S24.OG other bump:1.61343 Ang L7.CD1 and S24.OG other bump:1.78138 Ang L7.CD2 and S24.OG other bump:2.63706 Ang L22.CD2 and S24.OG other bump:2.57299 Ang L7.CG and S24.CB other bump:1.32266 Ang L7.CD1 and S24.CB other bump:3.00624 Ang L7.CD2 and S24.CB other bump:2.85534 Ang L7.CD1 and S24.CA other bump:2.1532 Ang L7.CD2 and L22.CD2 neighbor-bump: 2.60493 Ang L20.CD1 and F21.CE2 neighbor-bump: 2.14185 Ang L20.CD1 and F21.CD2 neighbor-bump: 1.17184 Ang D17.O and T18.OG1 neighbor-bump: 2.1018 Ang D17.C and T18.OG1 neighbor-bump: 2.37412 Ang D17.O and T18.CG2 neighbor-bump: 2.77154 Ang D17.C and T18.CG2 neighbor-bump: 1.9949 Ang D17.O and T18.CB neighbor-bump: 2.45665 Ang D17.C and T18.CB other bump:3.23795 Ang E15.C and T18.N other bump:3.01213 Ang T2.CG2 and V6.CG1 T0187 35 :GSSLFELPLEGVSLEEIQKLTSAL 1xxcA 128 :DDTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:1.49518 Ang P9.CB and I18.CD1 other bump:2.99866 Ang P9.N and I18.CD1 other bump:1.9782 Ang P9.CA and I18.CD1 other bump:2.93008 Ang P9.CB and I18.CG1 other bump:2.44586 Ang V13.CG1 and I18.CG1 other bump:2.73588 Ang S14.OG and E17.CG other bump:2.62368 Ang S14.OG and E17.N Number of specific fragments= 2 total=743 Number of alignments=169 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1xxcA read from T0187-1xxcA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1xxcA in template set T0187 10 :TTRRVLELVDQLNENDTVLFLLSGG 1xxcA 104 :AAQLIARLLDSLGKAEGILGTIAGD Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.47069 Ang T3.OG1 and G27.CA other bump:2.39147 Ang T3.OG1 and G27.N other bump:3.28107 Ang T3.CB and G26.C other bump:2.22738 Ang T3.OG1 and G26.C other bump:2.00807 Ang T3.OG1 and G26.O other bump:2.1225 Ang R4.NH1 and G25.CA other bump:2.96177 Ang R4.NH1 and S24.C other bump:2.01394 Ang L7.CG and S24.OG other bump:1.61343 Ang L7.CD1 and S24.OG other bump:1.78138 Ang L7.CD2 and S24.OG other bump:2.63706 Ang L22.CD2 and S24.OG other bump:2.57299 Ang L7.CG and S24.CB other bump:1.32266 Ang L7.CD1 and S24.CB other bump:3.00624 Ang L7.CD2 and S24.CB other bump:2.85534 Ang L7.CD1 and S24.CA other bump:2.1532 Ang L7.CD2 and L22.CD2 neighbor-bump: 2.60493 Ang L20.CD1 and F21.CE2 neighbor-bump: 2.14185 Ang L20.CD1 and F21.CD2 neighbor-bump: 1.17184 Ang D17.O and T18.OG1 neighbor-bump: 2.1018 Ang D17.C and T18.OG1 neighbor-bump: 2.37412 Ang D17.O and T18.CG2 neighbor-bump: 2.77154 Ang D17.C and T18.CG2 neighbor-bump: 1.9949 Ang D17.O and T18.CB neighbor-bump: 2.45665 Ang D17.C and T18.CB other bump:3.23795 Ang E15.C and T18.N other bump:3.01213 Ang T2.CG2 and V6.CG1 T0187 36 :SSLFELPLEGVSLEEIQKLTSAL 1xxcA 129 :DTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:1.49518 Ang P8.CB and I17.CD1 other bump:2.99866 Ang P8.N and I17.CD1 other bump:1.9782 Ang P8.CA and I17.CD1 other bump:2.93008 Ang P8.CB and I17.CG1 other bump:2.44586 Ang V12.CG1 and I17.CG1 other bump:2.73588 Ang S13.OG and E16.CG other bump:2.62368 Ang S13.OG and E16.N Number of specific fragments= 2 total=745 Number of alignments=170 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1xxcA read from T0187-1xxcA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1xxcA in template set T0187 4 :DEN 1xxcA 82 :LKN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLS 1xxcA 101 :SPGAAQLIARLLDSLGKAEGILGTIA Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.1225 Ang R7.NH1 and G28.CA other bump:2.96178 Ang R7.NH1 and S27.C other bump:1.61343 Ang L10.CD1 and S27.OG other bump:2.01394 Ang L10.CG and S27.OG other bump:1.78138 Ang L10.CD2 and S27.OG other bump:2.63706 Ang L25.CD2 and S27.OG other bump:1.32266 Ang L10.CD1 and S27.CB other bump:2.57299 Ang L10.CG and S27.CB other bump:3.00624 Ang L10.CD2 and S27.CB other bump:2.85534 Ang L10.CD1 and S27.CA other bump:2.1532 Ang L10.CD2 and L25.CD2 neighbor-bump: 2.60493 Ang L23.CD1 and F24.CE2 neighbor-bump: 2.14185 Ang L23.CD1 and F24.CD2 neighbor-bump: 1.17184 Ang D20.O and T21.OG1 neighbor-bump: 2.1018 Ang D20.C and T21.OG1 neighbor-bump: 2.37412 Ang D20.O and T21.CG2 neighbor-bump: 2.77154 Ang D20.C and T21.CG2 neighbor-bump: 1.9949 Ang D20.O and T21.CB neighbor-bump: 2.45665 Ang D20.C and T21.CB other bump:3.23795 Ang E18.C and T21.N other bump:3.01212 Ang T5.CG2 and V9.CG1 other bump:2.17519 Ang T2.OG1 and T5.OG1 T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxcA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.49518 Ang P10.CB and I19.CD1 other bump:2.99866 Ang P10.N and I19.CD1 other bump:1.9782 Ang P10.CA and I19.CD1 other bump:2.93008 Ang P10.CB and I19.CG1 other bump:2.44586 Ang V14.CG1 and I19.CG1 other bump:2.73588 Ang S15.OG and E18.CG other bump:2.62368 Ang S15.OG and E18.N Number of specific fragments= 3 total=748 Number of alignments=171 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1xxcA read from T0187-1xxcA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1xxcA in template set T0187 4 :DEN 1xxcA 82 :LKN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 10 :TTRRVLELVDQLNENDTVLFLLS 1xxcA 104 :AAQLIARLLDSLGKAEGILGTIA Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.1225 Ang R4.NH1 and G25.CA other bump:2.96177 Ang R4.NH1 and S24.C other bump:1.78138 Ang L7.CD2 and S24.OG other bump:2.63706 Ang L22.CD2 and S24.OG other bump:2.01394 Ang L7.CG and S24.OG other bump:1.61343 Ang L7.CD1 and S24.OG other bump:3.00624 Ang L7.CD2 and S24.CB other bump:2.57299 Ang L7.CG and S24.CB other bump:1.32266 Ang L7.CD1 and S24.CB other bump:2.85534 Ang L7.CD1 and S24.CA other bump:2.1532 Ang L7.CD2 and L22.CD2 neighbor-bump: 2.60493 Ang L20.CD1 and F21.CE2 neighbor-bump: 2.14185 Ang L20.CD1 and F21.CD2 neighbor-bump: 1.17184 Ang D17.O and T18.OG1 neighbor-bump: 2.1018 Ang D17.C and T18.OG1 neighbor-bump: 2.37412 Ang D17.O and T18.CG2 neighbor-bump: 2.77154 Ang D17.C and T18.CG2 neighbor-bump: 1.9949 Ang D17.O and T18.CB neighbor-bump: 2.45665 Ang D17.C and T18.CB other bump:3.23795 Ang E15.C and T18.N other bump:3.01213 Ang T2.CG2 and V6.CG1 T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxcA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.49518 Ang P10.CB and I19.CD1 other bump:2.99866 Ang P10.N and I19.CD1 other bump:1.9782 Ang P10.CA and I19.CD1 other bump:2.93008 Ang P10.CB and I19.CG1 other bump:2.44586 Ang V14.CG1 and I19.CG1 other bump:2.73588 Ang S15.OG and E18.CG other bump:2.62368 Ang S15.OG and E18.N Number of specific fragments= 3 total=751 Number of alignments=172 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1xxcA read from T0187-1xxcA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1xxcA in template set T0187 4 :DE 1xxcA 82 :LK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 19 :DQ 1xxcA 84 :NL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 21 :LNEND 1xxcA 91 :YNDAV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.3564 Ang E4.O and N5.CG self-bump: 1.30038 Ang N5.CA and N5.CB T0187 40 :ELPLE 1xxcA 100 :TSPGA Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.12447 Ang E2.CD and G7.CA other bump:2.79282 Ang E2.OE1 and G7.CA other bump:1.08431 Ang E2.OE2 and G7.CA other bump:2.9987 Ang E2.CG and G7.N other bump:1.76516 Ang E2.CD and G7.N other bump:2.42306 Ang E2.OE1 and G7.N other bump:1.04239 Ang E2.OE2 and G7.N other bump:2.27581 Ang E2.CD and E6.C other bump:2.20546 Ang E2.OE1 and E6.C other bump:2.16751 Ang E2.OE2 and E6.C other bump:2.31323 Ang E2.OE1 and E6.O other bump:1.53334 Ang E2.CA and E6.OE2 other bump:1.67384 Ang E2.CB and E6.OE2 other bump:1.8242 Ang E2.C and E6.OE2 other bump:1.69704 Ang L3.N and E6.OE2 other bump:2.8647 Ang E2.CG and E6.OE2 other bump:3.21458 Ang L3.CA and E6.CD other bump:2.65979 Ang E2.CA and E6.CD other bump:2.09553 Ang E2.CB and E6.CD other bump:2.69239 Ang E2.C and E6.CD other bump:2.15037 Ang L3.N and E6.CD other bump:2.98846 Ang E2.CG and E6.CD other bump:2.49288 Ang L3.O and E6.CG other bump:2.24578 Ang E2.CB and E6.CG other bump:3.17281 Ang E2.C and E6.CG other bump:2.93318 Ang L3.N and E6.CG other bump:2.26918 Ang E2.CG and E6.CG other bump:2.48127 Ang E2.CD and E6.CG other bump:2.50145 Ang E2.OE1 and E6.CG other bump:3.20508 Ang E2.CD and E6.CB other bump:2.896 Ang E2.OE1 and E6.CB other bump:3.14889 Ang E2.CD and E6.CA T0187 52 :QKLTSALLK 1xxcA 105 :AQLIARLLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 103 :DRLDVIA 1xxcA 114 :SLGKAEG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 1.71657 Ang I7.O and A8.CB neighbor-bump: 2.23476 Ang I7.C and A8.CB other bump:3.23795 Ang D5.C and A8.N self-bump: 1.33738 Ang R3.CA and R3.CB T0187 115 :PDSSTSEDALKVLEKY 1xxcA 136 :ANGFTVKDLYEAILEL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.55972 Ang T6.OG1 and D9.N Number of specific fragments= 7 total=758 Number of alignments=173 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1xxcA read from T0187-1xxcA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1xxcA in template set T0187 4 :DE 1xxcA 82 :LK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 19 :DQ 1xxcA 84 :NL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 21 :LNEND 1xxcA 91 :YNDAV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.3564 Ang E4.O and N5.CG self-bump: 1.30038 Ang N5.CA and N5.CB T0187 40 :ELPLE 1xxcA 100 :TSPGA Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.12447 Ang E2.CD and G7.CA other bump:2.79282 Ang E2.OE1 and G7.CA other bump:1.08431 Ang E2.OE2 and G7.CA other bump:2.9987 Ang E2.CG and G7.N other bump:1.76516 Ang E2.CD and G7.N other bump:2.42306 Ang E2.OE1 and G7.N other bump:1.04239 Ang E2.OE2 and G7.N other bump:2.27581 Ang E2.CD and E6.C other bump:2.20546 Ang E2.OE1 and E6.C other bump:2.16751 Ang E2.OE2 and E6.C other bump:2.31323 Ang E2.OE1 and E6.O other bump:1.53334 Ang E2.CA and E6.OE2 other bump:1.67384 Ang E2.CB and E6.OE2 other bump:1.8242 Ang E2.C and E6.OE2 other bump:1.69704 Ang L3.N and E6.OE2 other bump:2.8647 Ang E2.CG and E6.OE2 other bump:3.21458 Ang L3.CA and E6.CD other bump:2.65979 Ang E2.CA and E6.CD other bump:2.09553 Ang E2.CB and E6.CD other bump:2.69239 Ang E2.C and E6.CD other bump:2.15037 Ang L3.N and E6.CD other bump:2.98846 Ang E2.CG and E6.CD other bump:2.49288 Ang L3.O and E6.CG other bump:2.24578 Ang E2.CB and E6.CG other bump:3.17281 Ang E2.C and E6.CG other bump:2.93318 Ang L3.N and E6.CG other bump:2.26918 Ang E2.CG and E6.CG other bump:2.48127 Ang E2.CD and E6.CG other bump:2.50145 Ang E2.OE1 and E6.CG other bump:3.20508 Ang E2.CD and E6.CB other bump:2.896 Ang E2.OE1 and E6.CB other bump:3.14889 Ang E2.CD and E6.CA T0187 52 :QKLTSALLK 1xxcA 105 :AQLIARLLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 79 :KGGRFA 1xxcA 114 :SLGKAE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:3.23795 Ang R5.C and G8.N T0187 88 :FP 1xxcA 128 :DD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues neighbor-bump: 1.7217 Ang F2.CB and P3.CD self-bump: 1.29857 Ang P3.N and P3.CD neighbor-bump: 2.1223 Ang F2.O and P3.CD neighbor-bump: 1.14451 Ang F2.C and P3.CD neighbor-bump: 1.81346 Ang F2.CA and P3.CD neighbor-bump: 2.83398 Ang F2.CB and P3.CG self-bump: 2.15695 Ang P3.N and P3.CG neighbor-bump: 2.49113 Ang F2.O and P3.CG neighbor-bump: 2.20907 Ang F2.C and P3.CG neighbor-bump: 3.18413 Ang F2.CA and P3.CG self-bump: 2.21568 Ang F2.CB and F2.C self-bump: 1.28136 Ang F2.CA and F2.CB T0187 115 :PDSSTSEDALKVLEKY 1xxcA 136 :ANGFTVKDLYEAILEL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.55972 Ang T6.OG1 and D9.N Number of specific fragments= 8 total=766 Number of alignments=174 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1xxcA read from T0187-1xxcA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1xxcA in template set T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxcA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.49518 Ang P10.CB and I19.CD1 other bump:2.99866 Ang P10.N and I19.CD1 other bump:1.9782 Ang P10.CA and I19.CD1 other bump:2.93008 Ang P10.CB and I19.CG1 other bump:2.44586 Ang V14.CG1 and I19.CG1 other bump:2.73588 Ang S15.OG and E18.CG other bump:2.62368 Ang S15.OG and E18.N Number of specific fragments= 1 total=767 Number of alignments=175 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1xxcA read from T0187-1xxcA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1xxcA in template set T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxcA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.49518 Ang P10.CB and I19.CD1 other bump:2.99866 Ang P10.N and I19.CD1 other bump:1.9782 Ang P10.CA and I19.CD1 other bump:2.93008 Ang P10.CB and I19.CG1 other bump:2.44586 Ang V14.CG1 and I19.CG1 other bump:2.73588 Ang S15.OG and E18.CG other bump:2.62368 Ang S15.OG and E18.N Number of specific fragments= 1 total=768 Number of alignments=176 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1xxcA read from T0187-1xxcA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1xxcA in template set T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxcA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.49518 Ang P10.CB and I19.CD1 other bump:2.99866 Ang P10.N and I19.CD1 other bump:1.9782 Ang P10.CA and I19.CD1 other bump:2.93008 Ang P10.CB and I19.CG1 other bump:2.44586 Ang V14.CG1 and I19.CG1 other bump:2.73588 Ang S15.OG and E18.CG other bump:2.62368 Ang S15.OG and E18.N Number of specific fragments= 1 total=769 Number of alignments=177 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1xxcA read from T0187-1xxcA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1xxcA in template set T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxcA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.49518 Ang P10.CB and I19.CD1 other bump:2.99866 Ang P10.N and I19.CD1 other bump:1.9782 Ang P10.CA and I19.CD1 other bump:2.93008 Ang P10.CB and I19.CG1 other bump:2.44586 Ang V14.CG1 and I19.CG1 other bump:2.73588 Ang S15.OG and E18.CG other bump:2.62368 Ang S15.OG and E18.N Number of specific fragments= 1 total=770 Number of alignments=178 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-local-adpstyle1.pw.a2m.gz # 1xxcA read from T0187-1xxcA-local-adpstyle1.pw.a2m.gz # found chain 1xxcA in template set T0187 10 :TTRRVLELVDQLNENDTVLFLLS 1xxcA 104 :AAQLIARLLDSLGKAEGILGTIA Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.1225 Ang R4.NH1 and G25.CA other bump:2.96177 Ang R4.NH1 and S24.C other bump:1.78138 Ang L7.CD2 and S24.OG other bump:2.63706 Ang L22.CD2 and S24.OG other bump:2.01394 Ang L7.CG and S24.OG other bump:1.61343 Ang L7.CD1 and S24.OG other bump:3.00624 Ang L7.CD2 and S24.CB other bump:2.57299 Ang L7.CG and S24.CB other bump:1.32266 Ang L7.CD1 and S24.CB other bump:2.85534 Ang L7.CD1 and S24.CA other bump:2.1532 Ang L7.CD2 and L22.CD2 neighbor-bump: 2.60493 Ang L20.CD1 and F21.CE2 neighbor-bump: 2.14185 Ang L20.CD1 and F21.CD2 neighbor-bump: 1.17184 Ang D17.O and T18.OG1 neighbor-bump: 2.1018 Ang D17.C and T18.OG1 neighbor-bump: 2.37412 Ang D17.O and T18.CG2 neighbor-bump: 2.77154 Ang D17.C and T18.CG2 neighbor-bump: 1.9949 Ang D17.O and T18.CB neighbor-bump: 2.45665 Ang D17.C and T18.CB other bump:3.23795 Ang E15.C and T18.N other bump:3.01213 Ang T2.CG2 and V6.CG1 T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxcA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.49518 Ang P10.CB and I19.CD1 other bump:2.99866 Ang P10.N and I19.CD1 other bump:1.9782 Ang P10.CA and I19.CD1 other bump:2.93008 Ang P10.CB and I19.CG1 other bump:2.44586 Ang V14.CG1 and I19.CG1 other bump:2.73588 Ang S15.OG and E18.CG other bump:2.62368 Ang S15.OG and E18.N Number of specific fragments= 2 total=772 Number of alignments=179 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-local-adpstyle5.pw.a2m.gz # 1xxcA read from T0187-1xxcA-local-adpstyle5.pw.a2m.gz # found chain 1xxcA in template set T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSGG 1xxcA 101 :SPGAAQLIARLLDSLGKAEGILGTIAGD Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.47069 Ang T6.OG1 and G30.CA other bump:2.39147 Ang T6.OG1 and G30.N other bump:3.28107 Ang T6.CB and G29.C other bump:2.22739 Ang T6.OG1 and G29.C other bump:2.00807 Ang T6.OG1 and G29.O other bump:2.1225 Ang R7.NH1 and G28.CA other bump:2.96178 Ang R7.NH1 and S27.C other bump:1.61343 Ang L10.CD1 and S27.OG other bump:2.01394 Ang L10.CG and S27.OG other bump:1.78138 Ang L10.CD2 and S27.OG other bump:2.63706 Ang L25.CD2 and S27.OG other bump:1.32266 Ang L10.CD1 and S27.CB other bump:2.57299 Ang L10.CG and S27.CB other bump:3.00624 Ang L10.CD2 and S27.CB other bump:2.85534 Ang L10.CD1 and S27.CA other bump:2.1532 Ang L10.CD2 and L25.CD2 neighbor-bump: 2.60493 Ang L23.CD1 and F24.CE2 neighbor-bump: 2.14185 Ang L23.CD1 and F24.CD2 neighbor-bump: 1.17184 Ang D20.O and T21.OG1 neighbor-bump: 2.1018 Ang D20.C and T21.OG1 neighbor-bump: 2.37412 Ang D20.O and T21.CG2 neighbor-bump: 2.77154 Ang D20.C and T21.CG2 neighbor-bump: 1.9949 Ang D20.O and T21.CB neighbor-bump: 2.45665 Ang D20.C and T21.CB other bump:3.23795 Ang E18.C and T21.N other bump:3.01212 Ang T5.CG2 and V9.CG1 other bump:2.17519 Ang T2.OG1 and T5.OG1 T0187 36 :SSLFELPLEGVSLEEIQKLTSAL 1xxcA 129 :DTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:1.49518 Ang P8.CB and I17.CD1 other bump:2.99866 Ang P8.N and I17.CD1 other bump:1.9782 Ang P8.CA and I17.CD1 other bump:2.93008 Ang P8.CB and I17.CG1 other bump:2.44586 Ang V12.CG1 and I17.CG1 other bump:2.73588 Ang S13.OG and E16.CG other bump:2.62368 Ang S13.OG and E16.N Number of specific fragments= 2 total=774 Number of alignments=180 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-simpleSW-adpstyle1.pw.a2m.gz # 1xxcA read from T0187-1xxcA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1xxcA in template set T0187 34 :GGSSLFELPLEGVSLEEI 1xxcA 127 :GDDTIFTTPANGFTVKDL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.51906 Ang V14.CG1 and I19.CG2 other bump:2.73588 Ang S15.OG and E18.CG other bump:2.62368 Ang S15.OG and E18.N Number of specific fragments= 1 total=775 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-simpleSW-adpstyle5.pw.a2m.gz # 1xxcA read from T0187-1xxcA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1xxcA in template set T0187 13 :RVLELVDQLNENDTVLFLLSG 1xxcA 107 :LIARLLDSLGKAEGILGTIAG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.01394 Ang L4.CG and S21.OG other bump:1.61343 Ang L4.CD1 and S21.OG other bump:1.78138 Ang L4.CD2 and S21.OG other bump:2.63706 Ang L19.CD2 and S21.OG other bump:2.57299 Ang L4.CG and S21.CB other bump:1.32266 Ang L4.CD1 and S21.CB other bump:3.00624 Ang L4.CD2 and S21.CB other bump:2.85534 Ang L4.CD1 and S21.CA other bump:2.1532 Ang L4.CD2 and L19.CD2 neighbor-bump: 2.60493 Ang L17.CD1 and F18.CE2 neighbor-bump: 2.14185 Ang L17.CD1 and F18.CD2 neighbor-bump: 1.17184 Ang D14.O and T15.OG1 neighbor-bump: 2.1018 Ang D14.C and T15.OG1 neighbor-bump: 2.37412 Ang D14.O and T15.CG2 neighbor-bump: 2.77154 Ang D14.C and T15.CG2 neighbor-bump: 1.9949 Ang D14.O and T15.CB neighbor-bump: 2.45665 Ang D14.C and T15.CB other bump:3.23795 Ang E12.C and T15.N T0187 35 :GSSLFELPLEGVSLEEIQK 1xxcA 128 :DDTIFTTPANGFTVKDLYE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.99866 Ang P9.N and I18.CD1 other bump:1.49518 Ang P9.CB and I18.CD1 other bump:1.9782 Ang P9.CA and I18.CD1 other bump:2.93008 Ang P9.CB and I18.CG1 other bump:2.44586 Ang V13.CG1 and I18.CG1 other bump:2.73588 Ang S14.OG and E17.CG other bump:2.62368 Ang S14.OG and E17.N Number of specific fragments= 2 total=777 Number of alignments=181 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-vit-adpstyle1.pw.a2m.gz # 1xxcA read from T0187-1xxcA-vit-adpstyle1.pw.a2m.gz # found chain 1xxcA in template set T0187 10 :TTRRVLELVDQLNENDTVLFLLS 1xxcA 104 :AAQLIARLLDSLGKAEGILGTIA Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.1225 Ang R4.NH1 and G25.CA other bump:2.96177 Ang R4.NH1 and S24.C other bump:1.78138 Ang L7.CD2 and S24.OG other bump:2.63706 Ang L22.CD2 and S24.OG other bump:2.01394 Ang L7.CG and S24.OG other bump:1.61343 Ang L7.CD1 and S24.OG other bump:3.00624 Ang L7.CD2 and S24.CB other bump:2.57299 Ang L7.CG and S24.CB other bump:1.32266 Ang L7.CD1 and S24.CB other bump:2.85534 Ang L7.CD1 and S24.CA other bump:2.1532 Ang L7.CD2 and L22.CD2 neighbor-bump: 2.60493 Ang L20.CD1 and F21.CE2 neighbor-bump: 2.14185 Ang L20.CD1 and F21.CD2 neighbor-bump: 1.17184 Ang D17.O and T18.OG1 neighbor-bump: 2.1018 Ang D17.C and T18.OG1 neighbor-bump: 2.37412 Ang D17.O and T18.CG2 neighbor-bump: 2.77154 Ang D17.C and T18.CG2 neighbor-bump: 1.9949 Ang D17.O and T18.CB neighbor-bump: 2.45665 Ang D17.C and T18.CB other bump:3.23795 Ang E15.C and T18.N other bump:3.01213 Ang T2.CG2 and V6.CG1 T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxcA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.49518 Ang P10.CB and I19.CD1 other bump:2.99866 Ang P10.N and I19.CD1 other bump:1.9782 Ang P10.CA and I19.CD1 other bump:2.93008 Ang P10.CB and I19.CG1 other bump:2.44586 Ang V14.CG1 and I19.CG1 other bump:2.73588 Ang S15.OG and E18.CG other bump:2.62368 Ang S15.OG and E18.N Number of specific fragments= 2 total=779 Number of alignments=182 # Reading fragments from alignment file # T0187 read from T0187-1xxcA-vit-adpstyle5.pw.a2m.gz # 1xxcA read from T0187-1xxcA-vit-adpstyle5.pw.a2m.gz # found chain 1xxcA in template set T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSGG 1xxcA 101 :SPGAAQLIARLLDSLGKAEGILGTIAGD Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.47069 Ang T6.OG1 and G30.CA other bump:2.39147 Ang T6.OG1 and G30.N other bump:3.28107 Ang T6.CB and G29.C other bump:2.22739 Ang T6.OG1 and G29.C other bump:2.00807 Ang T6.OG1 and G29.O other bump:2.1225 Ang R7.NH1 and G28.CA other bump:2.96178 Ang R7.NH1 and S27.C other bump:1.61343 Ang L10.CD1 and S27.OG other bump:2.01394 Ang L10.CG and S27.OG other bump:1.78138 Ang L10.CD2 and S27.OG other bump:2.63706 Ang L25.CD2 and S27.OG other bump:1.32266 Ang L10.CD1 and S27.CB other bump:2.57299 Ang L10.CG and S27.CB other bump:3.00624 Ang L10.CD2 and S27.CB other bump:2.85534 Ang L10.CD1 and S27.CA other bump:2.1532 Ang L10.CD2 and L25.CD2 neighbor-bump: 2.60493 Ang L23.CD1 and F24.CE2 neighbor-bump: 2.14185 Ang L23.CD1 and F24.CD2 neighbor-bump: 1.17184 Ang D20.O and T21.OG1 neighbor-bump: 2.1018 Ang D20.C and T21.OG1 neighbor-bump: 2.37412 Ang D20.O and T21.CG2 neighbor-bump: 2.77154 Ang D20.C and T21.CG2 neighbor-bump: 1.9949 Ang D20.O and T21.CB neighbor-bump: 2.45665 Ang D20.C and T21.CB other bump:3.23795 Ang E18.C and T21.N other bump:3.01212 Ang T5.CG2 and V9.CG1 other bump:2.17519 Ang T2.OG1 and T5.OG1 T0187 36 :SSLFELPLEGVSLEEIQKLTSAL 1xxcA 129 :DTIFTTPANGFTVKDLYEAILEL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:1.49518 Ang P8.CB and I17.CD1 other bump:2.99866 Ang P8.N and I17.CD1 other bump:1.9782 Ang P8.CA and I17.CD1 other bump:2.93008 Ang P8.CB and I17.CG1 other bump:2.44586 Ang V12.CG1 and I17.CG1 other bump:2.73588 Ang S13.OG and E16.CG other bump:2.62368 Ang S13.OG and E16.N Number of specific fragments= 2 total=781 Number of alignments=183 # Prefix for input files set to 1l2qA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1l2qA-T0187-local-adpstyle1.pw.a2m.gz # 1l2qA read from 1l2qA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1l2qA in template set T0187 78 :VKGGRFAERVFPAKVVALVLSDVLGDRLDVIASG 1l2qA 126 :VQGGPTGSPISEDVFMPVHMSYALEKEVDTIVNG Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.69145 Ang K3.CE and A33.CB other bump:2.77813 Ang K3.CE and A33.CA other bump:2.95339 Ang G4.CA and L29.CD2 other bump:2.99762 Ang D23.CA and L29.CD1 other bump:2.84048 Ang D23.CB and L29.CD1 other bump:2.51133 Ang G5.CA and D23.OD2 other bump:2.37863 Ang R6.NE and L19.CD2 other bump:1.89408 Ang R6.CZ and L19.CD2 other bump:2.94739 Ang R6.NH1 and L19.CD2 other bump:1.21647 Ang R6.NH2 and L19.CD2 other bump:2.51791 Ang V11.CG2 and L19.CD2 other bump:2.44715 Ang R6.NH2 and L19.CD1 other bump:2.41303 Ang R6.NE and L19.CG other bump:1.23184 Ang R6.NH2 and L19.CG other bump:2.66233 Ang R6.NE and L19.CB other bump:1.89809 Ang R6.CZ and L19.CB other bump:2.65105 Ang R6.NH1 and L19.CB other bump:1.37053 Ang R6.NH2 and L19.CB other bump:2.82438 Ang R6.NH2 and L19.CA other bump:2.99371 Ang F12.CD1 and A14.CB other bump:2.20643 Ang F12.CE1 and A14.CB other bump:3.08841 Ang F12.CD1 and A14.CA other bump:2.89652 Ang F12.CE1 and A14.CA other bump:2.56331 Ang F12.CD1 and A14.N other bump:2.68439 Ang F12.CE1 and A14.N other bump:3.00862 Ang R6.NE and V11.CG2 other bump:2.45771 Ang R6.CZ and V11.CG2 other bump:2.42224 Ang R6.NH1 and V11.CG2 other bump:2.89069 Ang R6.NH2 and V11.CG2 other bump:2.10351 Ang R6.CD and V11.CG1 other bump:2.53289 Ang R6.NE and V11.CG1 neighbor-bump: 2.56003 Ang F7.C and A8.CB other bump:2.81773 Ang G5.O and F7.CE2 other bump:2.21695 Ang G5.O and F7.CD2 neighbor-bump: 2.67864 Ang R6.C and F7.CB Number of specific fragments= 1 total=782 Number of alignments=184 # Reading fragments from alignment file # T0187 read from 1l2qA-T0187-local-adpstyle5.pw.a2m.gz # 1l2qA read from 1l2qA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1l2qA in template set T0187 63 :ASIEEIN 1l2qA 396 :VEISEVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 1 total=783 # Reading fragments from alignment file # T0187 read from 1l2qA-T0187-vit-adpstyle1.pw.a2m.gz # 1l2qA read from 1l2qA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1l2qA in template set T0187 78 :VKGGRFAERVFPAKVVALVLSDVLGDRLDVIASG 1l2qA 126 :VQGGPTGSPISEDVFMPVHMSYALEKEVDTIVNG Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.69145 Ang K3.CE and A33.CB other bump:2.77813 Ang K3.CE and A33.CA other bump:2.95339 Ang G4.CA and L29.CD2 other bump:2.99762 Ang D23.CA and L29.CD1 other bump:2.84048 Ang D23.CB and L29.CD1 other bump:2.51133 Ang G5.CA and D23.OD2 other bump:2.37863 Ang R6.NE and L19.CD2 other bump:1.89408 Ang R6.CZ and L19.CD2 other bump:2.94739 Ang R6.NH1 and L19.CD2 other bump:1.21647 Ang R6.NH2 and L19.CD2 other bump:2.51791 Ang V11.CG2 and L19.CD2 other bump:2.44715 Ang R6.NH2 and L19.CD1 other bump:2.41303 Ang R6.NE and L19.CG other bump:1.23184 Ang R6.NH2 and L19.CG other bump:2.66233 Ang R6.NE and L19.CB other bump:1.89809 Ang R6.CZ and L19.CB other bump:2.65105 Ang R6.NH1 and L19.CB other bump:1.37053 Ang R6.NH2 and L19.CB other bump:2.82438 Ang R6.NH2 and L19.CA other bump:2.99371 Ang F12.CD1 and A14.CB other bump:2.20643 Ang F12.CE1 and A14.CB other bump:3.08841 Ang F12.CD1 and A14.CA other bump:2.89652 Ang F12.CE1 and A14.CA other bump:2.56331 Ang F12.CD1 and A14.N other bump:2.68439 Ang F12.CE1 and A14.N other bump:3.00862 Ang R6.NE and V11.CG2 other bump:2.45771 Ang R6.CZ and V11.CG2 other bump:2.42224 Ang R6.NH1 and V11.CG2 other bump:2.89069 Ang R6.NH2 and V11.CG2 other bump:2.10351 Ang R6.CD and V11.CG1 other bump:2.53289 Ang R6.NE and V11.CG1 neighbor-bump: 2.56003 Ang F7.C and A8.CB other bump:2.81773 Ang G5.O and F7.CE2 other bump:2.21695 Ang G5.O and F7.CD2 neighbor-bump: 2.67864 Ang R6.C and F7.CB Number of specific fragments= 1 total=784 Number of alignments=185 # Reading fragments from alignment file # T0187 read from 1l2qA-T0187-vit-adpstyle5.pw.a2m.gz # 1l2qA read from 1l2qA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1l2qA in template set T0187 63 :ASIEEIN 1l2qA 396 :VEISEVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 1 total=785 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1l2qA read from T0187-1l2qA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1l2qA in template set T0187 3 :P 1l2qA 3 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :DENTIKTTRRVLELVDQ 1l2qA 26 :DWDLMKIPMKAMELKQK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:3.27273 Ang R11.NE and L15.CD1 other bump:2.76415 Ang I6.CG2 and R10.CD T0187 39 :FELPLEGVSLEEIQKLTSALLKSGASIEE 1l2qA 43 :YGLDFKGEFIPTDKDMMEKLFKAGFEMLL Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.56048 Ang F2.CD1 and S24.OG other bump:2.24108 Ang E12.CD and T18.OG1 other bump:1.38172 Ang E12.OE2 and T18.OG1 other bump:2.63871 Ang E12.OE2 and T18.CG2 other bump:2.19562 Ang E12.OE2 and T18.CB other bump:2.57632 Ang E12.OE2 and T18.CA other bump:2.93923 Ang V9.CG1 and L11.C other bump:2.34323 Ang V9.CG1 and L11.O self-bump: 1.37404 Ang S10.CA and S10.CB other bump:2.67579 Ang E3.C and P5.CD other bump:1.99251 Ang E3.O and P5.CD neighbor-bump: 2.41487 Ang L4.CA and P5.CD neighbor-bump: 2.45152 Ang L4.O and P5.CD neighbor-bump: 1.70235 Ang L4.C and P5.CD neighbor-bump: 2.529 Ang L4.O and P5.CG neighbor-bump: 2.47793 Ang L4.C and P5.CG T0187 68 :INTVRKHLSQVKGGRFAERVFPAKVVA 1l2qA 88 :EDEIWDAINNVQKEFVLGTGRDAVNVR Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:3.02962 Ang F17.CZ and V26.CG2 other bump:2.37111 Ang F17.CE1 and V26.CG2 other bump:2.83793 Ang E19.CB and A24.CA neighbor-bump: 2.03866 Ang F22.C and P23.CD other bump:2.85447 Ang V21.C and P23.CD neighbor-bump: 2.19735 Ang F22.N and P23.CD neighbor-bump: 2.33548 Ang F22.CA and P23.CD neighbor-bump: 2.7762 Ang F22.CB and P23.CD self-bump: 1.28661 Ang P23.N and P23.CD self-bump: 2.1526 Ang P23.N and P23.CG neighbor-bump: 3.15697 Ang V21.CG1 and F22.CA neighbor-bump: 2.48184 Ang V21.CB and F22.N neighbor-bump: 2.04957 Ang V21.CG1 and F22.N self-bump: 2.38955 Ang V21.CG1 and V21.C self-bump: 1.31486 Ang V21.CA and V21.CB neighbor-bump: 2.4678 Ang E19.O and R20.CZ neighbor-bump: 2.53581 Ang A18.O and E19.CG neighbor-bump: 2.08764 Ang A18.O and E19.CB neighbor-bump: 2.52154 Ang A18.C and E19.CB other bump:2.55035 Ang I2.CG2 and R6.NH2 other bump:2.18577 Ang I2.CG2 and R6.NH1 other bump:2.52361 Ang I2.CG2 and R6.CZ T0187 98 :SDVLGDRLDVIASGPAWPDSSTSEDALKVLEKYGIE 1l2qA 115 :KRSVGDKAKPIVQGGPTGSPISEDVFMPVHMSYALE Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:3.30957 Ang P16.C and Y34.CZ other bump:2.28923 Ang T23.O and D26.OD1 other bump:2.28161 Ang T23.OG1 and D26.OD1 neighbor-bump: 1.38189 Ang W18.O and P19.CD neighbor-bump: 1.17283 Ang W18.C and P19.CD self-bump: 2.19286 Ang P19.CA and P19.CD neighbor-bump: 2.39475 Ang W18.CA and P19.CD neighbor-bump: 2.52761 Ang W18.C and P19.CG other bump:1.71444 Ang S14.O and W18.CH2 other bump:2.87487 Ang S14.C and W18.CH2 other bump:2.87668 Ang P16.CD and W18.CH2 other bump:2.46392 Ang S14.O and W18.CZ3 other bump:2.96544 Ang P16.CG and W18.CZ3 other bump:2.81453 Ang S14.O and W18.CZ2 other bump:3.10003 Ang P16.CD and W18.CZ2 other bump:2.92912 Ang P16.CG and W18.CE3 other bump:2.60954 Ang P16.O and W18.CD1 neighbor-bump: 1.95142 Ang G15.CA and P16.CD neighbor-bump: 2.12672 Ang G15.O and P16.CD neighbor-bump: 1.2929 Ang G15.C and P16.CD neighbor-bump: 2.54388 Ang G15.C and P16.CG self-bump: 1.24828 Ang L5.CA and L5.CB T0187 134 :TSESVKRAILQETPKHL 1l2qA 170 :IPKSPYEVLAAKTETRL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.3749 Ang E4.N and R8.NH2 other bump:2.1942 Ang E4.CA and R8.NH2 other bump:2.63418 Ang E4.N and R8.NH1 other bump:2.2081 Ang E4.N and R8.CZ other bump:2.81661 Ang E4.CA and R8.CZ other bump:3.26952 Ang S3.C and R8.CZ other bump:2.61093 Ang E4.N and R8.NE other bump:3.28153 Ang S3.CA and R8.CD Number of specific fragments= 6 total=791 Number of alignments=186 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1l2qA read from T0187-1l2qA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1l2qA in template set T0187 3 :P 1l2qA 3 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :DENTIKTTRRV 1l2qA 8 :DCYDFYDRAKV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.34334 Ang I6.CG2 and R10.NH1 other bump:2.3542 Ang I6.CG2 and R10.CZ other bump:2.72544 Ang I6.CG2 and R10.NE T0187 15 :LELVDQLN 1l2qA 37 :MELKQKYG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 39 :FELPLEGVS 1l2qA 45 :LDFKGEFIP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 48 :LEEI 1l2qA 59 :MEKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 52 :QKLTSALLKSG 1l2qA 64 :KAGFEMLLECG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues self-bump: 1.35858 Ang S11.CA and S11.CB T0187 69 :NTVRKHLSQVKGGRFAER 1l2qA 89 :DEIWDAINNVQKEFVLGT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 2.53581 Ang A17.O and E18.CG neighbor-bump: 2.08764 Ang A17.O and E18.CB neighbor-bump: 2.52154 Ang A17.C and E18.CB T0187 89 :PAKVVAL 1l2qA 107 :GRDAVNV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.65179 Ang G1.C and V5.CG2 other bump:3.10807 Ang P2.N and V5.CG2 self-bump: 1.2616 Ang P2.CA and P2.CB T0187 97 :LSDVLGDRLDVI 1l2qA 114 :RKRSVGDKAKPI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.24828 Ang L6.CA and L6.CB T0187 109 :ASGPAWP 1l2qA 127 :QGGPTGS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:1.62278 Ang P5.O and P8.CD other bump:2.31129 Ang P5.C and P8.CD other bump:2.97985 Ang A6.N and P8.CD other bump:3.20842 Ang A6.CA and P8.CD other bump:2.47861 Ang A6.C and P8.CD neighbor-bump: 2.45662 Ang W7.N and P8.CD other bump:1.79767 Ang P5.O and P8.CG other bump:2.54658 Ang P5.C and P8.CG other bump:2.96563 Ang P5.CA and P8.CG other bump:2.85717 Ang P5.CB and P8.CG T0187 116 :DSSTSEDALKVLEKYGI 1l2qA 136 :SEDVFMPVHMSYALEKE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.90232 Ang V12.O and Y16.CE2 T0187 134 :TSESVKRAILQETPKH 1l2qA 170 :IPKSPYEVLAAKTETR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.1942 Ang E4.CA and R8.NH2 other bump:2.3749 Ang E4.N and R8.NH2 other bump:2.63418 Ang E4.N and R8.NH1 other bump:2.81661 Ang E4.CA and R8.CZ other bump:2.2081 Ang E4.N and R8.CZ other bump:3.26952 Ang S3.C and R8.CZ other bump:2.61093 Ang E4.N and R8.NE other bump:3.28153 Ang S3.CA and R8.CD Number of specific fragments= 12 total=803 Number of alignments=187 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1l2qA read from T0187-1l2qA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1l2qA in template set T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHLSQV 1l2qA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKLVSL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 51 residues other bump:2.1509 Ang L3.CB and K25.NZ other bump:3.10586 Ang L3.C and K25.CE other bump:2.61892 Ang L3.CB and K25.CE other bump:1.80858 Ang G5.O and E22.OE2 other bump:1.6743 Ang G5.C and E22.OE2 other bump:1.56206 Ang G6.N and E22.OE2 other bump:2.77087 Ang G6.CA and E22.OE2 other bump:2.30363 Ang G5.O and E22.OE1 other bump:1.99158 Ang G5.O and E22.CD other bump:2.47793 Ang G5.C and E22.CD other bump:2.77745 Ang G6.N and E22.CD other bump:2.36477 Ang L13.CB and E16.OE2 other bump:0.836575 Ang L13.CG and E16.OE2 other bump:1.40446 Ang L13.CD1 and E16.OE2 other bump:1.37323 Ang L13.CD2 and E16.OE2 other bump:2.22332 Ang L13.CA and E16.OE1 other bump:0.756737 Ang L13.CB and E16.OE1 other bump:1.40809 Ang L13.CG and E16.OE1 other bump:2.78902 Ang L13.CD1 and E16.OE1 other bump:2.12791 Ang L13.CD2 and E16.OE1 other bump:2.73936 Ang L13.C and E16.OE1 other bump:2.9411 Ang L13.CA and E16.CD other bump:1.72022 Ang L13.CB and E16.CD other bump:0.783355 Ang L13.CG and E16.CD other bump:2.26428 Ang L13.CD1 and E16.CD other bump:1.59753 Ang L13.CD2 and E16.CD other bump:3.02532 Ang L13.C and E16.CD other bump:2.98383 Ang L13.CB and E16.CG other bump:2.23271 Ang L13.CG and E16.CG other bump:2.657 Ang L13.CD2 and E16.CG neighbor-bump: 2.6927 Ang P14.C and L15.CB neighbor-bump: 2.69442 Ang S8.C and S9.CB Number of specific fragments= 1 total=804 Number of alignments=188 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1l2qA read from T0187-1l2qA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1l2qA in template set T0187 7 :TIKTTRRVLELVDQLN 1l2qA 347 :LEASAQSITDTASGRE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.48884 Ang E11.CB and L16.CD1 other bump:2.49691 Ang E11.CG and L16.CD1 other bump:2.01915 Ang E11.CD and L16.CD1 other bump:1.33296 Ang E11.OE1 and L16.CD1 other bump:2.23462 Ang E11.OE1 and L16.CG neighbor-bump: 2.48499 Ang D14.O and Q15.CG neighbor-bump: 2.151 Ang D14.O and Q15.CB neighbor-bump: 2.58714 Ang D14.C and Q15.CB other bump:2.21246 Ang E11.O and D14.OD2 other bump:2.88646 Ang E11.C and D14.OD2 T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHLSQV 1l2qA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKLVSL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 51 residues other bump:2.1509 Ang L3.CB and K25.NZ other bump:3.10586 Ang L3.C and K25.CE other bump:2.61892 Ang L3.CB and K25.CE other bump:1.80858 Ang G5.O and E22.OE2 other bump:1.6743 Ang G5.C and E22.OE2 other bump:1.56206 Ang G6.N and E22.OE2 other bump:2.77087 Ang G6.CA and E22.OE2 other bump:2.30363 Ang G5.O and E22.OE1 other bump:1.99158 Ang G5.O and E22.CD other bump:2.47793 Ang G5.C and E22.CD other bump:2.77745 Ang G6.N and E22.CD other bump:2.36477 Ang L13.CB and E16.OE2 other bump:0.836575 Ang L13.CG and E16.OE2 other bump:1.40446 Ang L13.CD1 and E16.OE2 other bump:1.37323 Ang L13.CD2 and E16.OE2 other bump:2.22332 Ang L13.CA and E16.OE1 other bump:0.756737 Ang L13.CB and E16.OE1 other bump:1.40809 Ang L13.CG and E16.OE1 other bump:2.78902 Ang L13.CD1 and E16.OE1 other bump:2.12791 Ang L13.CD2 and E16.OE1 other bump:2.73936 Ang L13.C and E16.OE1 other bump:2.9411 Ang L13.CA and E16.CD other bump:1.72022 Ang L13.CB and E16.CD other bump:0.783355 Ang L13.CG and E16.CD other bump:2.26428 Ang L13.CD1 and E16.CD other bump:1.59753 Ang L13.CD2 and E16.CD other bump:3.02532 Ang L13.C and E16.CD other bump:2.98383 Ang L13.CB and E16.CG other bump:2.23271 Ang L13.CG and E16.CG other bump:2.657 Ang L13.CD2 and E16.CG neighbor-bump: 2.6927 Ang P14.C and L15.CB neighbor-bump: 2.69442 Ang S8.C and S9.CB Number of specific fragments= 2 total=806 Number of alignments=189 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1l2qA read from T0187-1l2qA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1l2qA in template set T0187 3 :P 1l2qA 3 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :DENTIKTTRRVLELVDQLN 1l2qA 28 :DLMKIPMKAMELKQKYGLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 39 :FELPLEGVSLEEIQKLTSA 1l2qA 47 :FKGEFIPTDKDMMEKLFKA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.66378 Ang F2.CD1 and E13.OE2 T0187 58 :LLKSG 1l2qA 70 :LLECG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues self-bump: 1.35858 Ang S5.CA and S5.CB T0187 69 :NTVRKHLSQVK 1l2qA 89 :DEIWDAINNVQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 88 :FPAKVVALVLSDVLGDRLDVIASGPAWPDSSTSEDALKVLEKYGIE 1l2qA 105 :GTGRDAVNVRKRSVGDKAKPIVQGGPTGSPISEDVFMPVHMSYALE Fragment has 80 clashes (null) has 80 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:3.30957 Ang P26.C and Y44.CZ other bump:2.28923 Ang T33.O and D36.OD1 other bump:2.28161 Ang T33.OG1 and D36.OD1 neighbor-bump: 1.38189 Ang W28.O and P29.CD neighbor-bump: 1.17283 Ang W28.C and P29.CD self-bump: 2.19286 Ang P29.CA and P29.CD neighbor-bump: 2.39475 Ang W28.CA and P29.CD neighbor-bump: 2.52761 Ang W28.C and P29.CG other bump:2.87487 Ang S24.C and W28.CH2 other bump:1.71444 Ang S24.O and W28.CH2 other bump:2.87668 Ang P26.CD and W28.CH2 other bump:2.46392 Ang S24.O and W28.CZ3 other bump:2.96544 Ang P26.CG and W28.CZ3 other bump:2.81453 Ang S24.O and W28.CZ2 other bump:3.10003 Ang P26.CD and W28.CZ2 other bump:2.92912 Ang P26.CG and W28.CE3 other bump:2.60954 Ang P26.O and W28.CD1 neighbor-bump: 2.12672 Ang G25.O and P26.CD neighbor-bump: 1.95142 Ang G25.CA and P26.CD neighbor-bump: 1.2929 Ang G25.C and P26.CD neighbor-bump: 2.54388 Ang G25.C and P26.CG self-bump: 1.24828 Ang L15.CA and L15.CB other bump:2.78706 Ang F2.CZ and A8.C other bump:2.45861 Ang F2.CE2 and A8.C other bump:2.50968 Ang F2.CE2 and A8.O other bump:2.47951 Ang F2.CE2 and A8.CB other bump:1.92643 Ang F2.CZ and A8.CA other bump:1.7229 Ang F2.CE2 and A8.CA other bump:3.05715 Ang F2.CD2 and A8.CA other bump:0.778568 Ang F2.CZ and A8.N other bump:2.69831 Ang F2.CD1 and A8.N other bump:1.99457 Ang F2.CE1 and A8.N other bump:0.732554 Ang F2.CE2 and A8.N other bump:2.69984 Ang F2.CG and A8.N other bump:1.95699 Ang F2.CD2 and A8.N other bump:0.966419 Ang F2.CZ and V7.C other bump:2.09657 Ang F2.CD1 and V7.C other bump:1.12381 Ang F2.CE1 and V7.C other bump:1.92677 Ang F2.CE2 and V7.C other bump:2.69069 Ang F2.CG and V7.C other bump:2.60925 Ang F2.CD2 and V7.C other bump:1.91691 Ang F2.CZ and V7.O other bump:2.03283 Ang F2.CE1 and V7.O other bump:2.93954 Ang F2.CE2 and V7.O other bump:2.40158 Ang F2.CD1 and V7.CG2 other bump:2.71697 Ang F2.CE1 and V7.CG2 other bump:2.88778 Ang P3.N and V7.CG2 other bump:2.58855 Ang P3.CA and V7.CG2 other bump:2.65179 Ang P3.C and V7.CG2 other bump:3.10806 Ang A4.N and V7.CG2 other bump:3.11357 Ang F2.C and V7.CG2 other bump:2.39062 Ang F2.CZ and V7.CG1 other bump:2.6218 Ang F2.CD1 and V7.CG1 other bump:2.02085 Ang F2.CE1 and V7.CG1 other bump:2.54828 Ang F2.CZ and V7.CB other bump:1.8211 Ang F2.CD1 and V7.CB other bump:1.36701 Ang F2.CE1 and V7.CB other bump:2.03366 Ang F2.CZ and V7.CA other bump:0.741316 Ang F2.CD1 and V7.CA other bump:0.849712 Ang F2.CE1 and V7.CA other bump:2.71058 Ang F2.CE2 and V7.CA other bump:3.18574 Ang F2.CB and V7.CA other bump:1.94772 Ang F2.CG and V7.CA other bump:2.66942 Ang F2.CD2 and V7.CA other bump:1.79796 Ang F2.CD1 and V7.N other bump:2.09958 Ang F2.CE1 and V7.N other bump:2.88531 Ang F2.CG and V7.N other bump:2.63182 Ang F2.CD1 and V6.C other bump:3.10448 Ang F2.CE1 and V6.C other bump:3.21377 Ang F2.CG and V6.C other bump:2.84393 Ang F2.CD1 and V6.O neighbor-bump: 2.48709 Ang A4.CB and K5.N self-bump: 2.21317 Ang A4.CB and A4.C self-bump: 1.27944 Ang A4.CA and A4.CB neighbor-bump: 2.04014 Ang F2.C and P3.CD neighbor-bump: 2.30907 Ang G1.O and F2.CE2 neighbor-bump: 2.50047 Ang G1.C and F2.CD2 neighbor-bump: 1.41097 Ang G1.O and F2.CD2 neighbor-bump: 2.68077 Ang G1.C and F2.CG neighbor-bump: 1.74149 Ang G1.O and F2.CG T0187 134 :TSESVKRAILQETPKHL 1l2qA 170 :IPKSPYEVLAAKTETRL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.3749 Ang E4.N and R8.NH2 other bump:2.1942 Ang E4.CA and R8.NH2 other bump:2.63418 Ang E4.N and R8.NH1 other bump:2.2081 Ang E4.N and R8.CZ other bump:2.81661 Ang E4.CA and R8.CZ other bump:3.26952 Ang S3.C and R8.CZ other bump:2.61093 Ang E4.N and R8.NE other bump:3.28153 Ang S3.CA and R8.CD Number of specific fragments= 7 total=813 Number of alignments=190 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1l2qA read from T0187-1l2qA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1l2qA in template set T0187 3 :P 1l2qA 3 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :DENTIKTTRRVLELVDQLNEN 1l2qA 28 :DLMKIPMKAMELKQKYGLDFK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues T0187 41 :LPLEGVSLEEIQKL 1l2qA 49 :GEFIPTDKDMMEKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 55 :TSALLKSG 1l2qA 67 :FEMLLECG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues self-bump: 1.35858 Ang S8.CA and S8.CB T0187 66 :EEINTVRKHLSQVK 1l2qA 86 :YTEDEIWDAINNVQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.98033 Ang I4.CG2 and R8.NH2 other bump:2.21393 Ang I4.CG2 and R8.NH1 other bump:2.73683 Ang I4.CG2 and R8.CZ other bump:2.69795 Ang E2.OE2 and V7.CG1 T0187 88 :FPAKVV 1l2qA 106 :TGRDAV Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.58855 Ang F2.CA and V6.CG2 other bump:2.65179 Ang F2.C and V6.CG2 other bump:3.10807 Ang P3.N and V6.CG2 other bump:3.11356 Ang G1.C and V6.CG2 other bump:2.88778 Ang F2.N and V6.CG2 neighbor-bump: 2.70069 Ang F2.CB and P3.CD neighbor-bump: 1.98212 Ang F2.CG and P3.CD neighbor-bump: 0.963432 Ang F2.CD1 and P3.CD neighbor-bump: 2.05459 Ang F2.CE1 and P3.CD neighbor-bump: 1.97971 Ang F2.CD1 and P3.CG neighbor-bump: 2.06434 Ang F2.CE1 and P3.CG self-bump: 1.2616 Ang P3.CA and P3.CB neighbor-bump: 3.09799 Ang F2.CD1 and P3.CA neighbor-bump: 2.51434 Ang F2.CD1 and P3.N T0187 95 :LVLSDVLGDRLDVIASGPAWPDSSTSEDALKVLEKYGIE 1l2qA 112 :NVRKRSVGDKAKPIVQGGPTGSPISEDVFMPVHMSYALE Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:3.30957 Ang P19.C and Y37.CZ other bump:2.28923 Ang T26.O and D29.OD1 other bump:2.28161 Ang T26.OG1 and D29.OD1 neighbor-bump: 1.38189 Ang W21.O and P22.CD neighbor-bump: 1.17283 Ang W21.C and P22.CD self-bump: 2.19286 Ang P22.CA and P22.CD neighbor-bump: 2.39475 Ang W21.CA and P22.CD neighbor-bump: 2.52761 Ang W21.C and P22.CG other bump:1.71444 Ang S17.O and W21.CH2 other bump:2.87487 Ang S17.C and W21.CH2 other bump:2.87668 Ang P19.CD and W21.CH2 other bump:2.46392 Ang S17.O and W21.CZ3 other bump:2.96544 Ang P19.CG and W21.CZ3 other bump:2.81453 Ang S17.O and W21.CZ2 other bump:3.10003 Ang P19.CD and W21.CZ2 other bump:2.92912 Ang P19.CG and W21.CE3 other bump:2.60954 Ang P19.O and W21.CD1 neighbor-bump: 2.12672 Ang G18.O and P19.CD neighbor-bump: 1.95142 Ang G18.CA and P19.CD neighbor-bump: 1.2929 Ang G18.C and P19.CD neighbor-bump: 2.54388 Ang G18.C and P19.CG self-bump: 1.24828 Ang L8.CA and L8.CB T0187 134 :TSESVKRAILQETPKHL 1l2qA 170 :IPKSPYEVLAAKTETRL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.3749 Ang E4.N and R8.NH2 other bump:2.1942 Ang E4.CA and R8.NH2 other bump:2.63418 Ang E4.N and R8.NH1 other bump:2.2081 Ang E4.N and R8.CZ other bump:2.81661 Ang E4.CA and R8.CZ other bump:3.26952 Ang S3.C and R8.CZ other bump:2.61093 Ang E4.N and R8.NE other bump:3.28153 Ang S3.CA and R8.CD Number of specific fragments= 8 total=821 Number of alignments=191 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1l2qA read from T0187-1l2qA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1l2qA in template set T0187 9 :KTTRRVLELVDQLN 1l2qA 349 :ASAQSITDTASGRE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:1.33296 Ang E9.OE1 and L14.CD1 other bump:2.48884 Ang E9.CB and L14.CD1 other bump:2.49691 Ang E9.CG and L14.CD1 other bump:2.01915 Ang E9.CD and L14.CD1 other bump:2.23462 Ang E9.OE1 and L14.CG neighbor-bump: 2.48499 Ang D12.O and Q13.CG neighbor-bump: 2.151 Ang D12.O and Q13.CB neighbor-bump: 2.58714 Ang D12.C and Q13.CB other bump:2.21246 Ang E9.O and D12.OD2 other bump:2.88646 Ang E9.C and D12.OD2 T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHL 1l2qA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.1509 Ang L3.CB and K25.NZ other bump:3.10586 Ang L3.C and K25.CE other bump:2.61892 Ang L3.CB and K25.CE other bump:1.80858 Ang G5.O and E22.OE2 other bump:1.6743 Ang G5.C and E22.OE2 other bump:1.56206 Ang G6.N and E22.OE2 other bump:2.77087 Ang G6.CA and E22.OE2 other bump:2.30363 Ang G5.O and E22.OE1 other bump:1.99158 Ang G5.O and E22.CD other bump:2.47793 Ang G5.C and E22.CD other bump:2.77745 Ang G6.N and E22.CD other bump:2.36477 Ang L13.CB and E16.OE2 other bump:0.836575 Ang L13.CG and E16.OE2 other bump:1.40446 Ang L13.CD1 and E16.OE2 other bump:1.37323 Ang L13.CD2 and E16.OE2 other bump:2.22332 Ang L13.CA and E16.OE1 other bump:0.756737 Ang L13.CB and E16.OE1 other bump:1.40809 Ang L13.CG and E16.OE1 other bump:2.78902 Ang L13.CD1 and E16.OE1 other bump:2.12791 Ang L13.CD2 and E16.OE1 other bump:2.73936 Ang L13.C and E16.OE1 other bump:2.9411 Ang L13.CA and E16.CD other bump:1.72022 Ang L13.CB and E16.CD other bump:0.783355 Ang L13.CG and E16.CD other bump:2.26428 Ang L13.CD1 and E16.CD other bump:1.59753 Ang L13.CD2 and E16.CD other bump:3.02532 Ang L13.C and E16.CD other bump:2.98383 Ang L13.CB and E16.CG other bump:2.23271 Ang L13.CG and E16.CG other bump:2.657 Ang L13.CD2 and E16.CG neighbor-bump: 2.6927 Ang P14.C and L15.CB neighbor-bump: 2.69442 Ang S8.C and S9.CB Number of specific fragments= 2 total=823 Number of alignments=192 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1l2qA read from T0187-1l2qA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1l2qA in template set T0187 7 :TIKTTRRVLELVDQLN 1l2qA 347 :LEASAQSITDTASGRE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.48884 Ang E11.CB and L16.CD1 other bump:2.49691 Ang E11.CG and L16.CD1 other bump:2.01915 Ang E11.CD and L16.CD1 other bump:1.33296 Ang E11.OE1 and L16.CD1 other bump:2.23462 Ang E11.OE1 and L16.CG neighbor-bump: 2.48499 Ang D14.O and Q15.CG neighbor-bump: 2.151 Ang D14.O and Q15.CB neighbor-bump: 2.58714 Ang D14.C and Q15.CB other bump:2.21246 Ang E11.O and D14.OD2 other bump:2.88646 Ang E11.C and D14.OD2 T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHLSQV 1l2qA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKLVSL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 51 residues other bump:2.1509 Ang L3.CB and K25.NZ other bump:3.10586 Ang L3.C and K25.CE other bump:2.61892 Ang L3.CB and K25.CE other bump:1.80858 Ang G5.O and E22.OE2 other bump:1.6743 Ang G5.C and E22.OE2 other bump:1.56206 Ang G6.N and E22.OE2 other bump:2.77087 Ang G6.CA and E22.OE2 other bump:2.30363 Ang G5.O and E22.OE1 other bump:1.99158 Ang G5.O and E22.CD other bump:2.47793 Ang G5.C and E22.CD other bump:2.77745 Ang G6.N and E22.CD other bump:2.36477 Ang L13.CB and E16.OE2 other bump:0.836575 Ang L13.CG and E16.OE2 other bump:1.40446 Ang L13.CD1 and E16.OE2 other bump:1.37323 Ang L13.CD2 and E16.OE2 other bump:2.22332 Ang L13.CA and E16.OE1 other bump:0.756737 Ang L13.CB and E16.OE1 other bump:1.40809 Ang L13.CG and E16.OE1 other bump:2.78902 Ang L13.CD1 and E16.OE1 other bump:2.12791 Ang L13.CD2 and E16.OE1 other bump:2.73936 Ang L13.C and E16.OE1 other bump:2.9411 Ang L13.CA and E16.CD other bump:1.72022 Ang L13.CB and E16.CD other bump:0.783355 Ang L13.CG and E16.CD other bump:2.26428 Ang L13.CD1 and E16.CD other bump:1.59753 Ang L13.CD2 and E16.CD other bump:3.02532 Ang L13.C and E16.CD other bump:2.98383 Ang L13.CB and E16.CG other bump:2.23271 Ang L13.CG and E16.CG other bump:2.657 Ang L13.CD2 and E16.CG neighbor-bump: 2.6927 Ang P14.C and L15.CB neighbor-bump: 2.69442 Ang S8.C and S9.CB Number of specific fragments= 2 total=825 Number of alignments=193 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1l2qA read from T0187-1l2qA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1l2qA in template set T0187 3 :P 1l2qA 3 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :DENTIKTTRRVLELVDQLN 1l2qA 28 :DLMKIPMKAMELKQKYGLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 39 :FELPLEGVSLEEIQKLTSALLK 1l2qA 47 :FKGEFIPTDKDMMEKLFKAGFE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.66378 Ang F2.CD1 and E13.OE2 T0187 61 :SGASIEEINTVRKHLS 1l2qA 131 :TGSPISEDVFMPVHMS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.84276 Ang I6.CD1 and K14.NZ other bump:2.02937 Ang I6.CD1 and K14.CE other bump:2.35392 Ang I6.CD1 and K14.CD other bump:3.02424 Ang I6.CG1 and K14.CD other bump:2.9832 Ang I6.CG2 and N10.OD1 other bump:3.03302 Ang E7.CD and I9.CD1 other bump:2.90353 Ang E7.CD and I9.CG1 T0187 86 :RVFPAKVVALVL 1l2qA 147 :YALEKEVDTIVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0187 98 :SDVLGDRLDVIAS 1l2qA 168 :SPIPKSPYEVLAA Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.39766 Ang D3.OD2 and A13.CB other bump:2.89592 Ang D3.OD1 and D10.C other bump:2.27501 Ang L5.CG and D10.OD2 other bump:2.42718 Ang L5.CD1 and D10.OD2 other bump:1.40814 Ang L5.CD2 and D10.OD2 other bump:2.41049 Ang L5.CD2 and D10.OD1 other bump:2.38467 Ang L5.CG and D10.CG other bump:1.43125 Ang L5.CD2 and D10.CG other bump:1.90037 Ang L5.CD2 and D10.CB other bump:2.5044 Ang D3.OD2 and D10.CA other bump:2.44116 Ang D3.CG and D10.CA other bump:1.76608 Ang D3.OD1 and D10.CA other bump:2.75597 Ang D3.CG and D10.N other bump:1.57144 Ang D3.OD1 and D10.N other bump:2.69032 Ang D3.CG and L9.C other bump:1.63992 Ang D3.OD1 and L9.C other bump:2.30941 Ang D3.CG and L9.O other bump:1.79722 Ang D3.OD1 and L9.O other bump:2.45259 Ang V4.CG2 and D7.OD2 other bump:2.21504 Ang V4.CB and D7.OD2 neighbor-bump: 2.47111 Ang L5.CB and G6.N self-bump: 2.2125 Ang L5.CB and L5.C self-bump: 1.28145 Ang L5.CA and L5.CB T0187 117 :SSTSEDALKVLEKYGIE 1l2qA 181 :KTETRLIKNACAMAGRP Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.69242 Ang E13.CG and E18.CG neighbor-bump: 2.90371 Ang G16.C and I17.CG1 other bump:2.38088 Ang V11.CG1 and Y15.CE2 other bump:2.85868 Ang V11.O and Y15.CE2 other bump:2.22285 Ang V11.O and Y15.CD2 other bump:3.07588 Ang V11.C and Y15.CD2 other bump:2.7742 Ang K10.CE and K14.CD T0187 134 :TSESVKRAILQETPKHL 1l2qA 206 :TSLSAQGNISADCTGGM Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.0277 Ang T14.OG1 and H17.CB neighbor-bump: 2.65186 Ang P15.C and K16.CB neighbor-bump: 2.9507 Ang E13.C and T14.CG2 other bump:2.74259 Ang S5.N and R8.NH2 other bump:1.53274 Ang E4.N and R8.NH1 other bump:2.52737 Ang S3.CA and R8.NH1 other bump:2.33499 Ang S3.C and R8.NH1 other bump:2.48788 Ang E4.N and R8.CZ other bump:2.71172 Ang S5.N and R8.CZ other bump:3.14067 Ang E4.CA and R8.CZ other bump:3.04893 Ang S3.CB and R8.CB Number of specific fragments= 8 total=833 Number of alignments=194 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1l2qA read from T0187-1l2qA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1l2qA in template set T0187 3 :P 1l2qA 3 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :DENTIKTTRRV 1l2qA 8 :DCYDFYDRAKV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.34334 Ang I6.CG2 and R10.NH1 other bump:2.3542 Ang I6.CG2 and R10.CZ other bump:2.72544 Ang I6.CG2 and R10.NE T0187 15 :LELVDQLNEND 1l2qA 39 :LKQKYGLDFKG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.31952 Ang N9.OD1 and N11.OD1 T0187 39 :FELPLEGVSLEEI 1l2qA 50 :EFIPTDKDMMEKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.89988 Ang P5.CG and L11.CD2 T0187 52 :QKLTSALLKSG 1l2qA 64 :KAGFEMLLECG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues self-bump: 1.35858 Ang S11.CA and S11.CB T0187 67 :EINTVRKHLSQVK 1l2qA 87 :TEDEIWDAINNVQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.98033 Ang I3.CG2 and R7.NH2 other bump:2.21393 Ang I3.CG2 and R7.NH1 other bump:2.73683 Ang I3.CG2 and R7.CZ T0187 80 :GG 1l2qA 128 :GG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 83 :FAERVFPAKVVALV 1l2qA 144 :HMSYALEKEVDTIV Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.91623 Ang A3.CB and F7.CE1 other bump:2.2486 Ang A3.O and F7.CD1 other bump:1.65598 Ang G1.O and E4.OE2 other bump:2.31153 Ang G1.C and E4.OE2 other bump:1.4934 Ang G1.O and E4.OE1 other bump:1.68112 Ang G1.C and E4.OE1 other bump:1.2977 Ang G1.O and E4.CD other bump:2.14603 Ang G1.C and E4.CD other bump:2.46928 Ang G1.O and E4.CG T0187 97 :L 1l2qA 161 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 98 :SDVLGDRLDVIAS 1l2qA 168 :SPIPKSPYEVLAA Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.39766 Ang D3.OD2 and A13.CB other bump:2.89592 Ang D3.OD1 and D10.C other bump:2.27501 Ang L5.CG and D10.OD2 other bump:2.42718 Ang L5.CD1 and D10.OD2 other bump:1.40814 Ang L5.CD2 and D10.OD2 other bump:2.41049 Ang L5.CD2 and D10.OD1 other bump:2.38467 Ang L5.CG and D10.CG other bump:1.43125 Ang L5.CD2 and D10.CG other bump:1.90037 Ang L5.CD2 and D10.CB other bump:2.5044 Ang D3.OD2 and D10.CA other bump:2.44116 Ang D3.CG and D10.CA other bump:1.76608 Ang D3.OD1 and D10.CA other bump:2.75597 Ang D3.CG and D10.N other bump:1.57144 Ang D3.OD1 and D10.N other bump:2.69032 Ang D3.CG and L9.C other bump:1.63992 Ang D3.OD1 and L9.C other bump:2.30941 Ang D3.CG and L9.O other bump:1.79722 Ang D3.OD1 and L9.O other bump:2.45259 Ang V4.CG2 and D7.OD2 other bump:2.21504 Ang V4.CB and D7.OD2 neighbor-bump: 2.47111 Ang L5.CB and G6.N self-bump: 2.2125 Ang L5.CB and L5.C self-bump: 1.28145 Ang L5.CA and L5.CB T0187 145 :ETPKHL 1l2qA 181 :KTETRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 11 total=844 Number of alignments=195 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1l2qA read from T0187-1l2qA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1l2qA in template set T0187 3 :PDENTIKTTRRV 1l2qA 7 :FDCYDFYDRAKV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.34334 Ang I7.CG2 and R11.NH1 other bump:2.3542 Ang I7.CG2 and R11.CZ other bump:2.72544 Ang I7.CG2 and R11.NE T0187 15 :LELVDQLN 1l2qA 39 :LKQKYGLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 23 :END 1l2qA 48 :KGE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 26 :TVLF 1l2qA 125 :IVQG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.26373 Ang V3.CG1 and F5.CZ other bump:3.06316 Ang V3.CB and F5.CE2 other bump:1.79124 Ang V3.CG1 and F5.CE2 other bump:2.46868 Ang V3.CG1 and F5.CD2 T0187 30 :LLSGGG 1l2qA 134 :PISEDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 36 :SSLFELPLEGV 1l2qA 163 :SVRGKSPIPKS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:1.91337 Ang L9.O and V12.CG1 other bump:2.93445 Ang L9.C and V12.CG1 T0187 48 :LEEIQKLTSALLKSGA 1l2qA 181 :KTETRLIKNACAMAGR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:3.18106 Ang L13.CG and G18.CA other bump:2.17034 Ang L13.CD2 and G18.CA other bump:1.81687 Ang E3.OE2 and K7.CE other bump:2.60703 Ang E3.CD and K7.CD other bump:1.80124 Ang E3.OE2 and K7.CD T0187 64 :SIEEINTVRKHLSQVK 1l2qA 239 :DLDAISVIAHYKGNSD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:1.43389 Ang N7.OD1 and R10.NH2 other bump:2.61643 Ang N7.CG and R10.NH2 other bump:2.96912 Ang I6.CG2 and R10.NH1 other bump:2.58627 Ang N7.OD1 and R10.CZ T0187 80 :GG 1l2qA 265 :GG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 82 :RFAERVFPAKVVA 1l2qA 283 :INAVLMSSASWHL Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.78946 Ang A4.CB and V13.CG2 other bump:2.21225 Ang E5.OE1 and A10.O neighbor-bump: 2.21229 Ang F8.O and P9.CD self-bump: 2.22681 Ang P9.CA and P9.CD neighbor-bump: 1.68479 Ang F8.C and P9.CD neighbor-bump: 3.11004 Ang R6.CZ and V7.CG2 other bump:2.52127 Ang F3.CD1 and V7.CG2 other bump:1.77376 Ang F3.CE1 and V7.CG2 neighbor-bump: 2.76157 Ang R6.NH2 and V7.CG2 other bump:2.14913 Ang F3.CZ and V7.CG2 other bump:3.05101 Ang F3.CE2 and V7.CG2 other bump:2.80689 Ang F3.CZ and V7.CG1 other bump:2.99414 Ang F3.CE1 and V7.CB other bump:2.71881 Ang F3.CZ and V7.CB other bump:2.25738 Ang F3.CE1 and R6.NH2 T0187 95 :LVLSDVLGDR 1l2qA 330 :SGNQYYPCAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 105 :LDVIASGPA 1l2qA 354 :ITDTASGRE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.71738 Ang V4.CG1 and P9.CG other bump:2.75399 Ang V4.CG1 and P9.CB T0187 114 :WPDSS 1l2qA 367 :VASAK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.69443 Ang D4.C and S5.CB T0187 119 :TSEDALKVLEK 1l2qA 397 :EISEVNVILDK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.47265 Ang K8.NZ and K12.NZ T0187 130 :YGIETS 1l2qA 417 :ASAPAG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.66331 Ang T6.C and S7.CB T0187 136 :ESVKRAILQETPK 1l2qA 438 :EEYMQVYDGARKK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.38313 Ang E2.CG and R6.NH1 other bump:3.13586 Ang E2.CG and R6.CZ Number of specific fragments= 16 total=860 Number of alignments=196 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1l2qA read from T0187-1l2qA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1l2qA in template set T0187 3 :PDENTIKTTRRV 1l2qA 7 :FDCYDFYDRAKV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.34334 Ang I7.CG2 and R11.NH1 other bump:2.3542 Ang I7.CG2 and R11.CZ other bump:2.72544 Ang I7.CG2 and R11.NE T0187 15 :LELVDQLN 1l2qA 39 :LKQKYGLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 23 :END 1l2qA 48 :KGE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 26 :TVLF 1l2qA 125 :IVQG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.26373 Ang V3.CG1 and F5.CZ other bump:3.06316 Ang V3.CB and F5.CE2 other bump:1.79124 Ang V3.CG1 and F5.CE2 other bump:2.46868 Ang V3.CG1 and F5.CD2 T0187 30 :LLSGGG 1l2qA 134 :PISEDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 36 :SSLFELPLEGV 1l2qA 163 :SVRGKSPIPKS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:1.91337 Ang L9.O and V12.CG1 other bump:2.93445 Ang L9.C and V12.CG1 T0187 48 :LEEIQKLTSALLKSGA 1l2qA 181 :KTETRLIKNACAMAGR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:3.18106 Ang L13.CG and G18.CA other bump:2.17034 Ang L13.CD2 and G18.CA other bump:1.81687 Ang E3.OE2 and K7.CE other bump:2.60703 Ang E3.CD and K7.CD other bump:1.80124 Ang E3.OE2 and K7.CD T0187 64 :SIEEINTVRKHLSQVK 1l2qA 239 :DLDAISVIAHYKGNSD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:1.43389 Ang N7.OD1 and R10.NH2 other bump:2.61643 Ang N7.CG and R10.NH2 other bump:2.96912 Ang I6.CG2 and R10.NH1 other bump:2.58627 Ang N7.OD1 and R10.CZ T0187 80 :GG 1l2qA 265 :GG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 82 :RFAERVFPAKVVA 1l2qA 283 :INAVLMSSASWHL Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.78946 Ang A4.CB and V13.CG2 other bump:2.21225 Ang E5.OE1 and A10.O neighbor-bump: 2.21229 Ang F8.O and P9.CD self-bump: 2.22681 Ang P9.CA and P9.CD neighbor-bump: 1.68479 Ang F8.C and P9.CD neighbor-bump: 3.11004 Ang R6.CZ and V7.CG2 other bump:2.52127 Ang F3.CD1 and V7.CG2 other bump:1.77376 Ang F3.CE1 and V7.CG2 neighbor-bump: 2.76157 Ang R6.NH2 and V7.CG2 other bump:2.14913 Ang F3.CZ and V7.CG2 other bump:3.05101 Ang F3.CE2 and V7.CG2 other bump:2.80689 Ang F3.CZ and V7.CG1 other bump:2.99414 Ang F3.CE1 and V7.CB other bump:2.71881 Ang F3.CZ and V7.CB other bump:2.25738 Ang F3.CE1 and R6.NH2 T0187 95 :LVLSDVLGDR 1l2qA 330 :SGNQYYPCAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 105 :LDVIASGPA 1l2qA 354 :ITDTASGRE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.71738 Ang V4.CG1 and P9.CG other bump:2.75399 Ang V4.CG1 and P9.CB T0187 114 :WPDSS 1l2qA 367 :VASAK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.69443 Ang D4.C and S5.CB T0187 119 :TSEDALKVLEK 1l2qA 397 :EISEVNVILDK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.47265 Ang K8.NZ and K12.NZ T0187 131 :GIE 1l2qA 414 :KNY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 134 :TS 1l2qA 419 :AP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 136 :ESVKRAILQETPK 1l2qA 438 :EEYMQVYDGARKK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.38313 Ang E2.CG and R6.NH1 other bump:3.13586 Ang E2.CG and R6.CZ Number of specific fragments= 17 total=877 Number of alignments=197 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1l2qA read from T0187-1l2qA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1l2qA in template set T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHL 1l2qA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.1509 Ang L3.CB and K25.NZ other bump:3.10586 Ang L3.C and K25.CE other bump:2.61892 Ang L3.CB and K25.CE other bump:1.80858 Ang G5.O and E22.OE2 other bump:1.6743 Ang G5.C and E22.OE2 other bump:1.56206 Ang G6.N and E22.OE2 other bump:2.77087 Ang G6.CA and E22.OE2 other bump:2.30363 Ang G5.O and E22.OE1 other bump:1.99158 Ang G5.O and E22.CD other bump:2.47793 Ang G5.C and E22.CD other bump:2.77745 Ang G6.N and E22.CD other bump:2.36477 Ang L13.CB and E16.OE2 other bump:0.836575 Ang L13.CG and E16.OE2 other bump:1.40446 Ang L13.CD1 and E16.OE2 other bump:1.37323 Ang L13.CD2 and E16.OE2 other bump:2.22332 Ang L13.CA and E16.OE1 other bump:0.756737 Ang L13.CB and E16.OE1 other bump:1.40809 Ang L13.CG and E16.OE1 other bump:2.78902 Ang L13.CD1 and E16.OE1 other bump:2.12791 Ang L13.CD2 and E16.OE1 other bump:2.73936 Ang L13.C and E16.OE1 other bump:2.9411 Ang L13.CA and E16.CD other bump:1.72022 Ang L13.CB and E16.CD other bump:0.783355 Ang L13.CG and E16.CD other bump:2.26428 Ang L13.CD1 and E16.CD other bump:1.59753 Ang L13.CD2 and E16.CD other bump:3.02532 Ang L13.C and E16.CD other bump:2.98383 Ang L13.CB and E16.CG other bump:2.23271 Ang L13.CG and E16.CG other bump:2.657 Ang L13.CD2 and E16.CG neighbor-bump: 2.6927 Ang P14.C and L15.CB neighbor-bump: 2.69442 Ang S8.C and S9.CB Number of specific fragments= 1 total=878 Number of alignments=198 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1l2qA read from T0187-1l2qA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1l2qA in template set T0187 7 :TIKTTRRVLELVDQLN 1l2qA 347 :LEASAQSITDTASGRE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.48884 Ang E11.CB and L16.CD1 other bump:2.49691 Ang E11.CG and L16.CD1 other bump:2.01915 Ang E11.CD and L16.CD1 other bump:1.33296 Ang E11.OE1 and L16.CD1 other bump:2.23462 Ang E11.OE1 and L16.CG neighbor-bump: 2.48499 Ang D14.O and Q15.CG neighbor-bump: 2.151 Ang D14.O and Q15.CB neighbor-bump: 2.58714 Ang D14.C and Q15.CB other bump:2.21246 Ang E11.O and D14.OD2 other bump:2.88646 Ang E11.C and D14.OD2 T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHLSQ 1l2qA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKLVS Fragment has 46 clashes (null) has 46 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 50 residues other bump:1.76412 Ang H46.CA and Q49.NE2 other bump:2.51853 Ang H46.CB and Q49.NE2 other bump:2.47433 Ang H46.C and Q49.NE2 other bump:1.53098 Ang K45.O and Q49.OE1 other bump:2.19212 Ang K45.C and Q49.OE1 other bump:2.05005 Ang H46.CA and Q49.OE1 other bump:2.08957 Ang H46.O and Q49.OE1 other bump:1.90078 Ang H46.C and Q49.OE1 other bump:2.42248 Ang K45.O and Q49.CD other bump:3.05876 Ang K45.C and Q49.CD other bump:2.99823 Ang H46.N and Q49.CD other bump:2.15404 Ang H46.CA and Q49.CD other bump:1.99033 Ang H46.O and Q49.CD other bump:2.24209 Ang H46.C and Q49.CD other bump:2.1509 Ang L3.CB and K25.NZ other bump:3.10586 Ang L3.C and K25.CE other bump:2.61892 Ang L3.CB and K25.CE other bump:1.80858 Ang G5.O and E22.OE2 other bump:1.6743 Ang G5.C and E22.OE2 other bump:1.56206 Ang G6.N and E22.OE2 other bump:2.77087 Ang G6.CA and E22.OE2 other bump:2.30363 Ang G5.O and E22.OE1 other bump:1.99158 Ang G5.O and E22.CD other bump:2.47793 Ang G5.C and E22.CD other bump:2.77745 Ang G6.N and E22.CD other bump:2.36477 Ang L13.CB and E16.OE2 other bump:0.836575 Ang L13.CG and E16.OE2 other bump:1.40446 Ang L13.CD1 and E16.OE2 other bump:1.37323 Ang L13.CD2 and E16.OE2 other bump:2.22332 Ang L13.CA and E16.OE1 other bump:0.756737 Ang L13.CB and E16.OE1 other bump:1.40809 Ang L13.CG and E16.OE1 other bump:2.78902 Ang L13.CD1 and E16.OE1 other bump:2.12791 Ang L13.CD2 and E16.OE1 other bump:2.73936 Ang L13.C and E16.OE1 other bump:2.9411 Ang L13.CA and E16.CD other bump:1.72022 Ang L13.CB and E16.CD other bump:0.783355 Ang L13.CG and E16.CD other bump:2.26428 Ang L13.CD1 and E16.CD other bump:1.59753 Ang L13.CD2 and E16.CD other bump:3.02532 Ang L13.C and E16.CD other bump:2.98383 Ang L13.CB and E16.CG other bump:2.23271 Ang L13.CG and E16.CG other bump:2.657 Ang L13.CD2 and E16.CG neighbor-bump: 2.6927 Ang P14.C and L15.CB neighbor-bump: 2.69442 Ang S8.C and S9.CB Number of specific fragments= 2 total=880 Number of alignments=199 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1l2qA read from T0187-1l2qA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1l2qA in template set T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHL 1l2qA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.1509 Ang L3.CB and K25.NZ other bump:3.10586 Ang L3.C and K25.CE other bump:2.61892 Ang L3.CB and K25.CE other bump:1.80858 Ang G5.O and E22.OE2 other bump:1.6743 Ang G5.C and E22.OE2 other bump:1.56206 Ang G6.N and E22.OE2 other bump:2.77087 Ang G6.CA and E22.OE2 other bump:2.30363 Ang G5.O and E22.OE1 other bump:1.99158 Ang G5.O and E22.CD other bump:2.47793 Ang G5.C and E22.CD other bump:2.77745 Ang G6.N and E22.CD other bump:2.36477 Ang L13.CB and E16.OE2 other bump:0.836575 Ang L13.CG and E16.OE2 other bump:1.40446 Ang L13.CD1 and E16.OE2 other bump:1.37323 Ang L13.CD2 and E16.OE2 other bump:2.22332 Ang L13.CA and E16.OE1 other bump:0.756737 Ang L13.CB and E16.OE1 other bump:1.40809 Ang L13.CG and E16.OE1 other bump:2.78902 Ang L13.CD1 and E16.OE1 other bump:2.12791 Ang L13.CD2 and E16.OE1 other bump:2.73936 Ang L13.C and E16.OE1 other bump:2.9411 Ang L13.CA and E16.CD other bump:1.72022 Ang L13.CB and E16.CD other bump:0.783355 Ang L13.CG and E16.CD other bump:2.26428 Ang L13.CD1 and E16.CD other bump:1.59753 Ang L13.CD2 and E16.CD other bump:3.02532 Ang L13.C and E16.CD other bump:2.98383 Ang L13.CB and E16.CG other bump:2.23271 Ang L13.CG and E16.CG other bump:2.657 Ang L13.CD2 and E16.CG neighbor-bump: 2.6927 Ang P14.C and L15.CB neighbor-bump: 2.69442 Ang S8.C and S9.CB Number of specific fragments= 1 total=881 Number of alignments=200 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1l2qA read from T0187-1l2qA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1l2qA in template set T0187 7 :TIKTTRRVLELVDQLN 1l2qA 347 :LEASAQSITDTASGRE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.48884 Ang E11.CB and L16.CD1 other bump:2.49691 Ang E11.CG and L16.CD1 other bump:2.01915 Ang E11.CD and L16.CD1 other bump:1.33296 Ang E11.OE1 and L16.CD1 other bump:2.23462 Ang E11.OE1 and L16.CG neighbor-bump: 2.48499 Ang D14.O and Q15.CG neighbor-bump: 2.151 Ang D14.O and Q15.CB neighbor-bump: 2.58714 Ang D14.C and Q15.CB other bump:2.21246 Ang E11.O and D14.OD2 other bump:2.88646 Ang E11.C and D14.OD2 T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHLSQ 1l2qA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKLVS Fragment has 46 clashes (null) has 46 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 50 residues other bump:1.76412 Ang H46.CA and Q49.NE2 other bump:2.51853 Ang H46.CB and Q49.NE2 other bump:2.47433 Ang H46.C and Q49.NE2 other bump:1.53098 Ang K45.O and Q49.OE1 other bump:2.19212 Ang K45.C and Q49.OE1 other bump:2.05005 Ang H46.CA and Q49.OE1 other bump:2.08957 Ang H46.O and Q49.OE1 other bump:1.90078 Ang H46.C and Q49.OE1 other bump:2.42248 Ang K45.O and Q49.CD other bump:3.05876 Ang K45.C and Q49.CD other bump:2.99823 Ang H46.N and Q49.CD other bump:2.15404 Ang H46.CA and Q49.CD other bump:1.99033 Ang H46.O and Q49.CD other bump:2.24209 Ang H46.C and Q49.CD other bump:2.1509 Ang L3.CB and K25.NZ other bump:3.10586 Ang L3.C and K25.CE other bump:2.61892 Ang L3.CB and K25.CE other bump:1.80858 Ang G5.O and E22.OE2 other bump:1.6743 Ang G5.C and E22.OE2 other bump:1.56206 Ang G6.N and E22.OE2 other bump:2.77087 Ang G6.CA and E22.OE2 other bump:2.30363 Ang G5.O and E22.OE1 other bump:1.99158 Ang G5.O and E22.CD other bump:2.47793 Ang G5.C and E22.CD other bump:2.77745 Ang G6.N and E22.CD other bump:2.36477 Ang L13.CB and E16.OE2 other bump:0.836575 Ang L13.CG and E16.OE2 other bump:1.40446 Ang L13.CD1 and E16.OE2 other bump:1.37323 Ang L13.CD2 and E16.OE2 other bump:2.22332 Ang L13.CA and E16.OE1 other bump:0.756737 Ang L13.CB and E16.OE1 other bump:1.40809 Ang L13.CG and E16.OE1 other bump:2.78902 Ang L13.CD1 and E16.OE1 other bump:2.12791 Ang L13.CD2 and E16.OE1 other bump:2.73936 Ang L13.C and E16.OE1 other bump:2.9411 Ang L13.CA and E16.CD other bump:1.72022 Ang L13.CB and E16.CD other bump:0.783355 Ang L13.CG and E16.CD other bump:2.26428 Ang L13.CD1 and E16.CD other bump:1.59753 Ang L13.CD2 and E16.CD other bump:3.02532 Ang L13.C and E16.CD other bump:2.98383 Ang L13.CB and E16.CG other bump:2.23271 Ang L13.CG and E16.CG other bump:2.657 Ang L13.CD2 and E16.CG neighbor-bump: 2.6927 Ang P14.C and L15.CB neighbor-bump: 2.69442 Ang S8.C and S9.CB Number of specific fragments= 2 total=883 Number of alignments=201 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-local-adpstyle1.pw.a2m.gz # 1l2qA read from T0187-1l2qA-local-adpstyle1.pw.a2m.gz # found chain 1l2qA in template set T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHL 1l2qA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.1509 Ang L3.CB and K25.NZ other bump:3.10586 Ang L3.C and K25.CE other bump:2.61892 Ang L3.CB and K25.CE other bump:1.80858 Ang G5.O and E22.OE2 other bump:1.6743 Ang G5.C and E22.OE2 other bump:1.56206 Ang G6.N and E22.OE2 other bump:2.77087 Ang G6.CA and E22.OE2 other bump:2.30363 Ang G5.O and E22.OE1 other bump:1.99158 Ang G5.O and E22.CD other bump:2.47793 Ang G5.C and E22.CD other bump:2.77745 Ang G6.N and E22.CD other bump:2.36477 Ang L13.CB and E16.OE2 other bump:0.836575 Ang L13.CG and E16.OE2 other bump:1.40446 Ang L13.CD1 and E16.OE2 other bump:1.37323 Ang L13.CD2 and E16.OE2 other bump:2.22332 Ang L13.CA and E16.OE1 other bump:0.756737 Ang L13.CB and E16.OE1 other bump:1.40809 Ang L13.CG and E16.OE1 other bump:2.78902 Ang L13.CD1 and E16.OE1 other bump:2.12791 Ang L13.CD2 and E16.OE1 other bump:2.73936 Ang L13.C and E16.OE1 other bump:2.9411 Ang L13.CA and E16.CD other bump:1.72022 Ang L13.CB and E16.CD other bump:0.783355 Ang L13.CG and E16.CD other bump:2.26428 Ang L13.CD1 and E16.CD other bump:1.59753 Ang L13.CD2 and E16.CD other bump:3.02532 Ang L13.C and E16.CD other bump:2.98383 Ang L13.CB and E16.CG other bump:2.23271 Ang L13.CG and E16.CG other bump:2.657 Ang L13.CD2 and E16.CG neighbor-bump: 2.6927 Ang P14.C and L15.CB neighbor-bump: 2.69442 Ang S8.C and S9.CB Number of specific fragments= 1 total=884 Number of alignments=202 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-local-adpstyle5.pw.a2m.gz # 1l2qA read from T0187-1l2qA-local-adpstyle5.pw.a2m.gz # found chain 1l2qA in template set Number of specific fragments= 0 total=884 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-simpleSW-adpstyle1.pw.a2m.gz # 1l2qA read from T0187-1l2qA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1l2qA in template set T0187 78 :VKGGRFAERVFPAKVVALVLSDVLGDRLDVIASG 1l2qA 126 :VQGGPTGSPISEDVFMPVHMSYALEKEVDTIVNG Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.69145 Ang K3.CE and A33.CB other bump:2.77813 Ang K3.CE and A33.CA other bump:2.95339 Ang G4.CA and L29.CD2 other bump:2.99762 Ang D23.CA and L29.CD1 other bump:2.84048 Ang D23.CB and L29.CD1 other bump:2.51133 Ang G5.CA and D23.OD2 other bump:2.37863 Ang R6.NE and L19.CD2 other bump:1.89408 Ang R6.CZ and L19.CD2 other bump:2.94739 Ang R6.NH1 and L19.CD2 other bump:1.21647 Ang R6.NH2 and L19.CD2 other bump:2.51791 Ang V11.CG2 and L19.CD2 other bump:2.44715 Ang R6.NH2 and L19.CD1 other bump:2.41303 Ang R6.NE and L19.CG other bump:1.23184 Ang R6.NH2 and L19.CG other bump:2.66233 Ang R6.NE and L19.CB other bump:1.89809 Ang R6.CZ and L19.CB other bump:2.65105 Ang R6.NH1 and L19.CB other bump:1.37053 Ang R6.NH2 and L19.CB other bump:2.82438 Ang R6.NH2 and L19.CA other bump:2.99371 Ang F12.CD1 and A14.CB other bump:2.20643 Ang F12.CE1 and A14.CB other bump:3.08841 Ang F12.CD1 and A14.CA other bump:2.89652 Ang F12.CE1 and A14.CA other bump:2.56331 Ang F12.CD1 and A14.N other bump:2.68439 Ang F12.CE1 and A14.N other bump:3.00862 Ang R6.NE and V11.CG2 other bump:2.45771 Ang R6.CZ and V11.CG2 other bump:2.42224 Ang R6.NH1 and V11.CG2 other bump:2.89069 Ang R6.NH2 and V11.CG2 other bump:2.10351 Ang R6.CD and V11.CG1 other bump:2.53289 Ang R6.NE and V11.CG1 neighbor-bump: 2.56003 Ang F7.C and A8.CB other bump:2.81773 Ang G5.O and F7.CE2 other bump:2.21695 Ang G5.O and F7.CD2 neighbor-bump: 2.67864 Ang R6.C and F7.CB Number of specific fragments= 1 total=885 Number of alignments=203 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-simpleSW-adpstyle5.pw.a2m.gz # 1l2qA read from T0187-1l2qA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1l2qA in template set Number of specific fragments= 0 total=885 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-vit-adpstyle1.pw.a2m.gz # 1l2qA read from T0187-1l2qA-vit-adpstyle1.pw.a2m.gz # found chain 1l2qA in template set T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHL 1l2qA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.1509 Ang L3.CB and K25.NZ other bump:3.10586 Ang L3.C and K25.CE other bump:2.61892 Ang L3.CB and K25.CE other bump:1.80858 Ang G5.O and E22.OE2 other bump:1.6743 Ang G5.C and E22.OE2 other bump:1.56206 Ang G6.N and E22.OE2 other bump:2.77087 Ang G6.CA and E22.OE2 other bump:2.30363 Ang G5.O and E22.OE1 other bump:1.99158 Ang G5.O and E22.CD other bump:2.47793 Ang G5.C and E22.CD other bump:2.77745 Ang G6.N and E22.CD other bump:2.36477 Ang L13.CB and E16.OE2 other bump:0.836575 Ang L13.CG and E16.OE2 other bump:1.40446 Ang L13.CD1 and E16.OE2 other bump:1.37323 Ang L13.CD2 and E16.OE2 other bump:2.22332 Ang L13.CA and E16.OE1 other bump:0.756737 Ang L13.CB and E16.OE1 other bump:1.40809 Ang L13.CG and E16.OE1 other bump:2.78902 Ang L13.CD1 and E16.OE1 other bump:2.12791 Ang L13.CD2 and E16.OE1 other bump:2.73936 Ang L13.C and E16.OE1 other bump:2.9411 Ang L13.CA and E16.CD other bump:1.72022 Ang L13.CB and E16.CD other bump:0.783355 Ang L13.CG and E16.CD other bump:2.26428 Ang L13.CD1 and E16.CD other bump:1.59753 Ang L13.CD2 and E16.CD other bump:3.02532 Ang L13.C and E16.CD other bump:2.98383 Ang L13.CB and E16.CG other bump:2.23271 Ang L13.CG and E16.CG other bump:2.657 Ang L13.CD2 and E16.CG neighbor-bump: 2.6927 Ang P14.C and L15.CB neighbor-bump: 2.69442 Ang S8.C and S9.CB Number of specific fragments= 1 total=886 Number of alignments=204 # Reading fragments from alignment file # T0187 read from T0187-1l2qA-vit-adpstyle5.pw.a2m.gz # 1l2qA read from T0187-1l2qA-vit-adpstyle5.pw.a2m.gz # found chain 1l2qA in template set Number of specific fragments= 0 total=886 # Prefix for input files set to 1l2rA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1l2rA-T0187-local-adpstyle1.pw.a2m.gz # 1l2rA read from 1l2rA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1l2rA in template set T0187 78 :VKGGRFAERVFPAKVVALVLSDVLGDRLDVIASG 1l2rA 126 :VQGGPTGSPISEDVFMPVHMSYALEKEVDTIVNG Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.62063 Ang K3.CE and A33.CB other bump:2.79272 Ang K3.CE and A33.CA other bump:2.98732 Ang G4.CA and L29.CD2 other bump:3.00836 Ang D23.CA and L29.CD1 other bump:2.8275 Ang D23.CB and L29.CD1 other bump:2.50574 Ang G5.CA and D23.OD2 other bump:2.4539 Ang R6.NE and L19.CD2 other bump:2.03544 Ang R6.CZ and L19.CD2 other bump:1.26909 Ang R6.NH2 and L19.CD2 other bump:2.57563 Ang V11.CG2 and L19.CD2 other bump:2.56468 Ang R6.NE and L19.CG other bump:1.46974 Ang R6.NH2 and L19.CG other bump:2.7678 Ang R6.NE and L19.CB other bump:2.08503 Ang R6.CZ and L19.CB other bump:1.48015 Ang R6.NH2 and L19.CB other bump:2.94403 Ang R6.NH2 and L19.CA other bump:3.05492 Ang F12.CD1 and A14.CB other bump:2.29682 Ang F12.CE1 and A14.CB other bump:2.97033 Ang F12.CE1 and A14.CA other bump:2.60272 Ang F12.CD1 and A14.N other bump:2.72078 Ang F12.CE1 and A14.N other bump:2.96812 Ang R6.NE and V11.CG2 other bump:2.37993 Ang R6.CZ and V11.CG2 other bump:2.4249 Ang R6.NH1 and V11.CG2 other bump:2.7284 Ang R6.NH2 and V11.CG2 other bump:2.05848 Ang R6.CD and V11.CG1 other bump:2.41109 Ang R6.NE and V11.CG1 other bump:2.98838 Ang R6.CZ and V11.CG1 neighbor-bump: 2.54875 Ang F7.C and A8.CB other bump:2.77611 Ang G5.O and F7.CE2 other bump:2.1971 Ang G5.O and F7.CD2 neighbor-bump: 2.66101 Ang R6.C and F7.CB Number of specific fragments= 1 total=887 Number of alignments=205 # Reading fragments from alignment file # T0187 read from 1l2rA-T0187-local-adpstyle5.pw.a2m.gz # 1l2rA read from 1l2rA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1l2rA in template set T0187 63 :ASIEEIN 1l2rA 396 :VEISEVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 1 total=888 # Reading fragments from alignment file # T0187 read from 1l2rA-T0187-vit-adpstyle1.pw.a2m.gz # 1l2rA read from 1l2rA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1l2rA in template set T0187 78 :VKGGRFAERVFPAKVVALVLSDVLGDRLDVIASG 1l2rA 126 :VQGGPTGSPISEDVFMPVHMSYALEKEVDTIVNG Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.62063 Ang K3.CE and A33.CB other bump:2.79272 Ang K3.CE and A33.CA other bump:2.98732 Ang G4.CA and L29.CD2 other bump:3.00836 Ang D23.CA and L29.CD1 other bump:2.8275 Ang D23.CB and L29.CD1 other bump:2.50574 Ang G5.CA and D23.OD2 other bump:2.4539 Ang R6.NE and L19.CD2 other bump:2.03544 Ang R6.CZ and L19.CD2 other bump:1.26909 Ang R6.NH2 and L19.CD2 other bump:2.57563 Ang V11.CG2 and L19.CD2 other bump:2.56468 Ang R6.NE and L19.CG other bump:1.46974 Ang R6.NH2 and L19.CG other bump:2.7678 Ang R6.NE and L19.CB other bump:2.08503 Ang R6.CZ and L19.CB other bump:1.48015 Ang R6.NH2 and L19.CB other bump:2.94403 Ang R6.NH2 and L19.CA other bump:3.05492 Ang F12.CD1 and A14.CB other bump:2.29682 Ang F12.CE1 and A14.CB other bump:2.97033 Ang F12.CE1 and A14.CA other bump:2.60272 Ang F12.CD1 and A14.N other bump:2.72078 Ang F12.CE1 and A14.N other bump:2.96812 Ang R6.NE and V11.CG2 other bump:2.37993 Ang R6.CZ and V11.CG2 other bump:2.4249 Ang R6.NH1 and V11.CG2 other bump:2.7284 Ang R6.NH2 and V11.CG2 other bump:2.05848 Ang R6.CD and V11.CG1 other bump:2.41109 Ang R6.NE and V11.CG1 other bump:2.98838 Ang R6.CZ and V11.CG1 neighbor-bump: 2.54875 Ang F7.C and A8.CB other bump:2.77611 Ang G5.O and F7.CE2 other bump:2.1971 Ang G5.O and F7.CD2 neighbor-bump: 2.66101 Ang R6.C and F7.CB Number of specific fragments= 1 total=889 Number of alignments=206 # Reading fragments from alignment file # T0187 read from 1l2rA-T0187-vit-adpstyle5.pw.a2m.gz # 1l2rA read from 1l2rA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1l2rA in template set T0187 63 :ASIEEIN 1l2rA 396 :VEISEVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 1 total=890 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1l2rA read from T0187-1l2rA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1l2rA in template set T0187 3 :P 1l2rA 3 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :DENTIKTTRRVLELVDQ 1l2rA 26 :DWDLMKIPMKAMELKQK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.36936 Ang I6.CG2 and R10.NH1 other bump:2.37255 Ang I6.CG2 and R10.CZ other bump:2.79281 Ang I6.CG2 and R10.NE T0187 39 :FELPLEGVSLEEIQKLTSALLKSGASIEE 1l2rA 43 :YGLDFKGEFIPTDKDMMEKLFKAGFEMLL Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.63452 Ang F2.CD1 and S24.OG other bump:2.2793 Ang E12.CD and T18.OG1 other bump:1.4374 Ang E12.OE2 and T18.OG1 other bump:2.61694 Ang E12.OE2 and T18.CG2 other bump:2.23424 Ang E12.OE2 and T18.CB other bump:2.64046 Ang E12.OE2 and T18.CA other bump:3.06885 Ang V9.CG1 and L11.C other bump:2.46679 Ang V9.CG1 and L11.O other bump:2.71001 Ang E3.C and P5.CD other bump:2.03364 Ang E3.O and P5.CD neighbor-bump: 2.40211 Ang L4.CA and P5.CD neighbor-bump: 2.40138 Ang L4.O and P5.CD neighbor-bump: 1.66958 Ang L4.C and P5.CD neighbor-bump: 2.45272 Ang L4.O and P5.CG neighbor-bump: 2.44009 Ang L4.C and P5.CG T0187 68 :INTVRKHLSQVKGGRFAERVFPAKVVA 1l2rA 88 :EDEIWDAINNVQKEFVLGTGRDAVNVR Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:3.04 Ang F17.CZ and V26.CG2 other bump:2.39247 Ang F17.CE1 and V26.CG2 other bump:2.84603 Ang E19.CB and A24.CA neighbor-bump: 2.01759 Ang F22.C and P23.CD self-bump: 1.28391 Ang P23.N and P23.CD other bump:2.88573 Ang V21.C and P23.CD neighbor-bump: 2.20566 Ang F22.N and P23.CD neighbor-bump: 2.31995 Ang F22.CA and P23.CD neighbor-bump: 2.75741 Ang F22.CB and P23.CD self-bump: 2.1518 Ang P23.N and P23.CG neighbor-bump: 3.15588 Ang V21.CG1 and F22.CA neighbor-bump: 2.47999 Ang V21.CB and F22.N neighbor-bump: 2.03337 Ang V21.CG1 and F22.N self-bump: 2.38653 Ang V21.CG1 and V21.C self-bump: 1.30966 Ang V21.CA and V21.CB neighbor-bump: 2.41929 Ang E19.O and R20.CZ neighbor-bump: 2.48072 Ang A18.O and E19.CG neighbor-bump: 2.04976 Ang A18.O and E19.CB neighbor-bump: 2.50025 Ang A18.C and E19.CB other bump:2.87954 Ang I2.CG2 and R6.NH2 other bump:2.19723 Ang I2.CG2 and R6.NH1 other bump:2.69315 Ang I2.CG2 and R6.CZ T0187 98 :SDVLGDRLDVIASGPAWPDSSTSEDALKVLEKYGIE 1l2rA 115 :KRSVGDKAKPIVQGGPTGSPISEDVFMPVHMSYALE Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:3.30275 Ang P16.C and Y34.CZ other bump:2.29094 Ang T23.O and D26.OD1 other bump:2.2576 Ang T23.OG1 and D26.OD1 neighbor-bump: 1.38277 Ang W18.O and P19.CD neighbor-bump: 1.17807 Ang W18.C and P19.CD self-bump: 2.1901 Ang P19.CA and P19.CD neighbor-bump: 2.39345 Ang W18.CA and P19.CD neighbor-bump: 2.53218 Ang W18.C and P19.CG other bump:1.75333 Ang S14.O and W18.CH2 other bump:2.87775 Ang S14.C and W18.CH2 other bump:2.87536 Ang P16.CD and W18.CH2 other bump:3.19098 Ang G15.CA and W18.CH2 other bump:2.37577 Ang S14.O and W18.CZ3 other bump:3.46057 Ang S14.C and W18.CZ3 other bump:2.9951 Ang P16.CG and W18.CZ3 other bump:2.93151 Ang S14.O and W18.CZ2 other bump:2.94081 Ang P16.CG and W18.CE3 other bump:2.61765 Ang P16.O and W18.CD1 neighbor-bump: 1.92301 Ang G15.CA and P16.CD neighbor-bump: 2.09683 Ang G15.O and P16.CD neighbor-bump: 1.26592 Ang G15.C and P16.CD neighbor-bump: 2.51901 Ang G15.C and P16.CG self-bump: 1.25018 Ang L5.CA and L5.CB T0187 134 :TSESVKRAILQETPKHL 1l2rA 170 :IPKSPYEVLAAKTETRL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.37758 Ang E4.N and R8.NH2 other bump:2.17585 Ang E4.CA and R8.NH2 other bump:2.64948 Ang E4.N and R8.NH1 other bump:2.22125 Ang E4.N and R8.CZ other bump:2.81086 Ang E4.CA and R8.CZ other bump:3.29544 Ang S3.C and R8.CZ other bump:2.62596 Ang E4.N and R8.NE Number of specific fragments= 6 total=896 Number of alignments=207 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1l2rA read from T0187-1l2rA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1l2rA in template set T0187 3 :P 1l2rA 3 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :DENTIKTTRRV 1l2rA 8 :DCYDFYDRAKV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.96059 Ang I6.CG2 and R10.NH2 other bump:2.221 Ang I6.CG2 and R10.NH1 other bump:2.27325 Ang I6.CG2 and R10.CZ other bump:2.67611 Ang I6.CG2 and R10.NE T0187 15 :LELVDQLN 1l2rA 37 :MELKQKYG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 39 :FELPLEGVS 1l2rA 45 :LDFKGEFIP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 48 :LEEI 1l2rA 59 :MEKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 52 :QKLTSALLKSG 1l2rA 64 :KAGFEMLLECG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues self-bump: 1.36158 Ang S11.CA and S11.CB T0187 69 :NTVRKHLSQVKGGRFAERVFP 1l2rA 89 :DEIWDAINNVQKEFVLGTGRD Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.84603 Ang E18.CB and G23.CA neighbor-bump: 2.01759 Ang F21.C and P22.CD other bump:2.88573 Ang V20.C and P22.CD neighbor-bump: 2.20566 Ang F21.N and P22.CD neighbor-bump: 2.31995 Ang F21.CA and P22.CD neighbor-bump: 2.75742 Ang F21.CB and P22.CD self-bump: 1.28391 Ang P22.N and P22.CD self-bump: 2.1518 Ang P22.N and P22.CG neighbor-bump: 3.15588 Ang V20.CG1 and F21.CA neighbor-bump: 2.47999 Ang V20.CB and F21.N neighbor-bump: 2.03337 Ang V20.CG1 and F21.N self-bump: 2.38653 Ang V20.CG1 and V20.C self-bump: 1.30966 Ang V20.CA and V20.CB neighbor-bump: 2.41929 Ang E18.O and R19.CZ neighbor-bump: 2.48072 Ang A17.O and E18.CG neighbor-bump: 2.04976 Ang A17.O and E18.CB neighbor-bump: 2.50025 Ang A17.C and E18.CB T0187 92 :VVALV 1l2rA 110 :AVNVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 98 :SDVLGDRLD 1l2rA 115 :KRSVGDKAK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.25018 Ang L5.CA and L5.CB T0187 107 :VIASGPAWP 1l2rA 125 :IVQGGPTGS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.67296 Ang P7.O and P10.CD other bump:2.34702 Ang P7.C and P10.CD other bump:2.99005 Ang A8.N and P10.CD other bump:3.19833 Ang A8.CA and P10.CD other bump:2.46811 Ang A8.C and P10.CD neighbor-bump: 2.46173 Ang W9.N and P10.CD other bump:1.77125 Ang P7.O and P10.CG other bump:2.5622 Ang P7.C and P10.CG other bump:3.03387 Ang P7.CA and P10.CG other bump:2.97952 Ang P7.CB and P10.CG T0187 116 :DSSTSEDALKVLEKYGI 1l2rA 136 :SEDVFMPVHMSYALEKE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.72318 Ang V12.O and Y16.CE2 other bump:2.5169 Ang V12.O and Y16.CD2 T0187 134 :TSESVKRAILQETPKH 1l2rA 170 :IPKSPYEVLAAKTETR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.17585 Ang E4.CA and R8.NH2 other bump:2.37758 Ang E4.N and R8.NH2 other bump:2.64948 Ang E4.N and R8.NH1 other bump:2.81086 Ang E4.CA and R8.CZ other bump:2.22125 Ang E4.N and R8.CZ other bump:3.29544 Ang S3.C and R8.CZ other bump:2.62596 Ang E4.N and R8.NE Number of specific fragments= 12 total=908 Number of alignments=208 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1l2rA read from T0187-1l2rA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1l2rA in template set T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHLSQV 1l2rA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKLVSL Fragment has 49 clashes (null) has 49 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 51 residues other bump:2.37258 Ang H46.CB and Q49.NE2 other bump:2.72401 Ang H46.CG and Q49.NE2 other bump:1.6546 Ang H46.CA and Q49.NE2 other bump:2.32608 Ang H46.C and Q49.NE2 other bump:1.61202 Ang K45.O and Q49.OE1 other bump:2.21757 Ang K45.C and Q49.OE1 other bump:2.37114 Ang H46.N and Q49.OE1 other bump:1.97603 Ang H46.CA and Q49.OE1 other bump:1.99615 Ang H46.O and Q49.OE1 other bump:1.76071 Ang H46.C and Q49.OE1 other bump:2.48101 Ang K45.O and Q49.CD other bump:3.07532 Ang K45.C and Q49.CD other bump:2.96163 Ang H46.N and Q49.CD other bump:2.05244 Ang H46.CA and Q49.CD other bump:1.8518 Ang H46.O and Q49.CD other bump:2.0913 Ang H46.C and Q49.CD other bump:2.53146 Ang H46.O and Q49.CG other bump:2.93284 Ang I40.CG2 and R44.NH2 other bump:1.92382 Ang I40.CG2 and R44.NH1 other bump:2.51749 Ang I40.CG2 and R44.CZ other bump:2.24901 Ang L3.CB and K25.NZ other bump:2.7017 Ang L3.CB and K25.CE other bump:1.86304 Ang G5.O and E22.OE2 other bump:1.70795 Ang G5.C and E22.OE2 other bump:1.53568 Ang G6.N and E22.OE2 other bump:2.73266 Ang G6.CA and E22.OE2 other bump:2.29334 Ang G5.O and E22.OE1 other bump:2.02964 Ang G5.O and E22.CD other bump:2.48337 Ang G5.C and E22.CD other bump:2.74494 Ang G6.N and E22.CD other bump:2.22724 Ang L13.CB and E16.OE2 other bump:0.739566 Ang L13.CG and E16.OE2 other bump:1.45211 Ang L13.CD1 and E16.OE2 other bump:1.21528 Ang L13.CD2 and E16.OE2 other bump:2.25905 Ang L13.CA and E16.OE1 other bump:0.787112 Ang L13.CB and E16.OE1 other bump:1.56299 Ang L13.CG and E16.OE1 other bump:2.93343 Ang L13.CD1 and E16.OE1 other bump:2.19602 Ang L13.CD2 and E16.OE1 other bump:2.90826 Ang L13.CA and E16.CD other bump:1.61655 Ang L13.CB and E16.CD other bump:0.807651 Ang L13.CG and E16.CD other bump:2.33478 Ang L13.CD1 and E16.CD other bump:1.53682 Ang L13.CD2 and E16.CD other bump:3.05177 Ang L13.C and E16.CD other bump:2.90158 Ang L13.CB and E16.CG other bump:2.17553 Ang L13.CG and E16.CG other bump:2.55591 Ang L13.CD2 and E16.CG neighbor-bump: 2.67099 Ang P14.C and L15.CB Number of specific fragments= 1 total=909 Number of alignments=209 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1l2rA read from T0187-1l2rA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1l2rA in template set T0187 7 :TIKTTRRVLELVDQLN 1l2rA 347 :LEASAQSITDTASGRE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.55165 Ang E11.CB and L16.CD1 other bump:2.53414 Ang E11.CG and L16.CD1 other bump:2.00338 Ang E11.CD and L16.CD1 other bump:1.27417 Ang E11.OE1 and L16.CD1 other bump:2.21098 Ang E11.OE1 and L16.CG neighbor-bump: 2.5415 Ang D14.O and Q15.CG neighbor-bump: 2.12848 Ang D14.O and Q15.CB neighbor-bump: 2.56185 Ang D14.C and Q15.CB other bump:2.18824 Ang E11.O and D14.OD2 other bump:2.85908 Ang E11.C and D14.OD2 T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHLSQV 1l2rA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKLVSL Fragment has 49 clashes (null) has 49 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 51 residues other bump:2.37258 Ang H46.CB and Q49.NE2 other bump:2.72401 Ang H46.CG and Q49.NE2 other bump:1.6546 Ang H46.CA and Q49.NE2 other bump:2.32608 Ang H46.C and Q49.NE2 other bump:1.61202 Ang K45.O and Q49.OE1 other bump:2.21757 Ang K45.C and Q49.OE1 other bump:2.37114 Ang H46.N and Q49.OE1 other bump:1.97603 Ang H46.CA and Q49.OE1 other bump:1.99615 Ang H46.O and Q49.OE1 other bump:1.76071 Ang H46.C and Q49.OE1 other bump:2.48101 Ang K45.O and Q49.CD other bump:3.07532 Ang K45.C and Q49.CD other bump:2.96163 Ang H46.N and Q49.CD other bump:2.05244 Ang H46.CA and Q49.CD other bump:1.8518 Ang H46.O and Q49.CD other bump:2.0913 Ang H46.C and Q49.CD other bump:2.53146 Ang H46.O and Q49.CG other bump:2.93284 Ang I40.CG2 and R44.NH2 other bump:1.92382 Ang I40.CG2 and R44.NH1 other bump:2.51749 Ang I40.CG2 and R44.CZ other bump:2.24901 Ang L3.CB and K25.NZ other bump:2.7017 Ang L3.CB and K25.CE other bump:1.86304 Ang G5.O and E22.OE2 other bump:1.70795 Ang G5.C and E22.OE2 other bump:1.53568 Ang G6.N and E22.OE2 other bump:2.73266 Ang G6.CA and E22.OE2 other bump:2.29334 Ang G5.O and E22.OE1 other bump:2.02964 Ang G5.O and E22.CD other bump:2.48337 Ang G5.C and E22.CD other bump:2.74494 Ang G6.N and E22.CD other bump:2.22724 Ang L13.CB and E16.OE2 other bump:0.739566 Ang L13.CG and E16.OE2 other bump:1.45211 Ang L13.CD1 and E16.OE2 other bump:1.21528 Ang L13.CD2 and E16.OE2 other bump:2.25905 Ang L13.CA and E16.OE1 other bump:0.787112 Ang L13.CB and E16.OE1 other bump:1.56299 Ang L13.CG and E16.OE1 other bump:2.93343 Ang L13.CD1 and E16.OE1 other bump:2.19602 Ang L13.CD2 and E16.OE1 other bump:2.90826 Ang L13.CA and E16.CD other bump:1.61655 Ang L13.CB and E16.CD other bump:0.807651 Ang L13.CG and E16.CD other bump:2.33478 Ang L13.CD1 and E16.CD other bump:1.53682 Ang L13.CD2 and E16.CD other bump:3.05177 Ang L13.C and E16.CD other bump:2.90158 Ang L13.CB and E16.CG other bump:2.17553 Ang L13.CG and E16.CG other bump:2.55591 Ang L13.CD2 and E16.CG neighbor-bump: 2.67099 Ang P14.C and L15.CB Number of specific fragments= 2 total=911 Number of alignments=210 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1l2rA read from T0187-1l2rA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1l2rA in template set T0187 3 :P 1l2rA 3 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :DENTIKTTRRVLELVDQLN 1l2rA 28 :DLMKIPMKAMELKQKYGLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 39 :FELPLEGVSLEEIQKLTSA 1l2rA 47 :FKGEFIPTDKDMMEKLFKA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.67043 Ang F2.CD1 and E13.OE2 T0187 58 :LLKSG 1l2rA 70 :LLECG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues self-bump: 1.36158 Ang S5.CA and S5.CB T0187 69 :NTVRKHLSQVK 1l2rA 89 :DEIWDAINNVQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 88 :FPAKVVALVLSDVLGDRLDVIASGPAWPDSSTSEDALKVLEKYGIE 1l2rA 105 :GTGRDAVNVRKRSVGDKAKPIVQGGPTGSPISEDVFMPVHMSYALE Fragment has 80 clashes (null) has 80 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:3.30275 Ang P26.C and Y44.CZ other bump:2.29094 Ang T33.O and D36.OD1 other bump:2.2576 Ang T33.OG1 and D36.OD1 neighbor-bump: 1.38277 Ang W28.O and P29.CD neighbor-bump: 1.17807 Ang W28.C and P29.CD self-bump: 2.1901 Ang P29.CA and P29.CD neighbor-bump: 2.39345 Ang W28.CA and P29.CD neighbor-bump: 2.53218 Ang W28.C and P29.CG other bump:1.75333 Ang S24.O and W28.CH2 other bump:2.87775 Ang S24.C and W28.CH2 other bump:2.87536 Ang P26.CD and W28.CH2 other bump:3.19098 Ang G25.CA and W28.CH2 other bump:2.37577 Ang S24.O and W28.CZ3 other bump:3.46057 Ang S24.C and W28.CZ3 other bump:2.9951 Ang P26.CG and W28.CZ3 other bump:2.93151 Ang S24.O and W28.CZ2 other bump:2.94081 Ang P26.CG and W28.CE3 other bump:2.61765 Ang P26.O and W28.CD1 neighbor-bump: 2.09683 Ang G25.O and P26.CD neighbor-bump: 1.92301 Ang G25.CA and P26.CD neighbor-bump: 1.26592 Ang G25.C and P26.CD neighbor-bump: 2.51901 Ang G25.C and P26.CG self-bump: 1.25018 Ang L15.CA and L15.CB other bump:2.77213 Ang F2.CZ and A8.C other bump:2.43613 Ang F2.CE2 and A8.C other bump:2.4735 Ang F2.CE2 and A8.O other bump:2.50308 Ang F2.CE2 and A8.CB other bump:1.95535 Ang F2.CZ and A8.CA other bump:3.03455 Ang F2.CD2 and A8.CA other bump:1.72084 Ang F2.CE2 and A8.CA other bump:2.69837 Ang F2.CD1 and A8.N other bump:2.01511 Ang F2.CE1 and A8.N other bump:0.824689 Ang F2.CZ and A8.N other bump:2.68314 Ang F2.CG and A8.N other bump:1.93199 Ang F2.CD2 and A8.N other bump:0.721733 Ang F2.CE2 and A8.N other bump:2.10634 Ang F2.CD1 and V7.C other bump:1.18299 Ang F2.CE1 and V7.C other bump:1.02246 Ang F2.CZ and V7.C other bump:2.67598 Ang F2.CG and V7.C other bump:2.58951 Ang F2.CD2 and V7.C other bump:1.9247 Ang F2.CE2 and V7.C other bump:2.09748 Ang F2.CE1 and V7.O other bump:1.96603 Ang F2.CZ and V7.O other bump:2.93224 Ang F2.CE2 and V7.O other bump:2.40143 Ang F2.CD1 and V7.CG2 other bump:2.66952 Ang F2.CE1 and V7.CG2 other bump:2.94453 Ang P3.N and V7.CG2 other bump:2.60252 Ang P3.CA and V7.CG2 other bump:2.65736 Ang P3.C and V7.CG2 other bump:3.08351 Ang A4.N and V7.CG2 other bump:2.60721 Ang F2.CD1 and V7.CG1 other bump:1.94576 Ang F2.CE1 and V7.CG1 other bump:2.32894 Ang F2.CZ and V7.CG1 other bump:1.82532 Ang F2.CD1 and V7.CB other bump:1.31359 Ang F2.CE1 and V7.CB other bump:2.51647 Ang F2.CZ and V7.CB other bump:0.763442 Ang F2.CD1 and V7.CA other bump:0.872443 Ang F2.CE1 and V7.CA other bump:2.04428 Ang F2.CZ and V7.CA other bump:3.1893 Ang F2.CB and V7.CA other bump:1.95578 Ang F2.CG and V7.CA other bump:2.67609 Ang F2.CD2 and V7.CA other bump:2.71824 Ang F2.CE2 and V7.CA other bump:1.83314 Ang F2.CD1 and V7.N other bump:2.13622 Ang F2.CE1 and V7.N other bump:2.89179 Ang F2.CG and V7.N other bump:2.66443 Ang F2.CD1 and V6.C other bump:3.1481 Ang F2.CE1 and V6.C other bump:3.20981 Ang F2.CG and V6.C neighbor-bump: 2.48486 Ang A4.CB and K5.N self-bump: 2.20984 Ang A4.CB and A4.C self-bump: 1.27424 Ang A4.CA and A4.CB neighbor-bump: 2.43281 Ang F2.CA and P3.CD neighbor-bump: 1.98151 Ang F2.C and P3.CD neighbor-bump: 2.29403 Ang G1.O and F2.CE2 neighbor-bump: 2.47867 Ang G1.C and F2.CD2 neighbor-bump: 1.36671 Ang G1.O and F2.CD2 neighbor-bump: 2.65764 Ang G1.C and F2.CG neighbor-bump: 1.70188 Ang G1.O and F2.CG T0187 134 :TSESVKRAILQETPKHL 1l2rA 170 :IPKSPYEVLAAKTETRL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.37758 Ang E4.N and R8.NH2 other bump:2.17585 Ang E4.CA and R8.NH2 other bump:2.64948 Ang E4.N and R8.NH1 other bump:2.22125 Ang E4.N and R8.CZ other bump:2.81086 Ang E4.CA and R8.CZ other bump:3.29544 Ang S3.C and R8.CZ other bump:2.62596 Ang E4.N and R8.NE Number of specific fragments= 7 total=918 Number of alignments=211 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1l2rA read from T0187-1l2rA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1l2rA in template set T0187 3 :P 1l2rA 3 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :DENTIKTTRRVLELVDQLNEN 1l2rA 28 :DLMKIPMKAMELKQKYGLDFK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues T0187 41 :LPLEGVSLEEIQKL 1l2rA 49 :GEFIPTDKDMMEKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 55 :TSALLKSG 1l2rA 67 :FEMLLECG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues self-bump: 1.36158 Ang S8.CA and S8.CB T0187 66 :EEINTVRKHLSQVK 1l2rA 86 :YTEDEIWDAINNVQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.2259 Ang I4.CG2 and R8.NH1 other bump:2.76664 Ang I4.CG2 and R8.CZ other bump:2.65004 Ang E2.OE2 and V7.CG1 T0187 88 :FPAKVV 1l2rA 106 :TGRDAV Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.60252 Ang F2.CA and V6.CG2 other bump:2.65736 Ang F2.C and V6.CG2 other bump:3.08351 Ang P3.N and V6.CG2 other bump:2.94453 Ang F2.N and V6.CG2 neighbor-bump: 2.67968 Ang F2.CB and P3.CD neighbor-bump: 2.01039 Ang F2.CG and P3.CD neighbor-bump: 1.02951 Ang F2.CD1 and P3.CD neighbor-bump: 2.13846 Ang F2.CE1 and P3.CD neighbor-bump: 1.99761 Ang F2.CD1 and P3.CG neighbor-bump: 2.1423 Ang F2.CE1 and P3.CG self-bump: 1.25637 Ang P3.CA and P3.CB neighbor-bump: 3.09666 Ang F2.CD1 and P3.CA neighbor-bump: 2.50415 Ang F2.CD1 and P3.N T0187 95 :LVLSDVLGDRLDVIASGPAWPDSSTSEDALKVLEKYGIE 1l2rA 112 :NVRKRSVGDKAKPIVQGGPTGSPISEDVFMPVHMSYALE Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:3.30275 Ang P19.C and Y37.CZ other bump:2.29094 Ang T26.O and D29.OD1 other bump:2.2576 Ang T26.OG1 and D29.OD1 neighbor-bump: 1.38277 Ang W21.O and P22.CD neighbor-bump: 1.17807 Ang W21.C and P22.CD self-bump: 2.1901 Ang P22.CA and P22.CD neighbor-bump: 2.39345 Ang W21.CA and P22.CD neighbor-bump: 2.53218 Ang W21.C and P22.CG other bump:1.75333 Ang S17.O and W21.CH2 other bump:2.87775 Ang S17.C and W21.CH2 other bump:2.87536 Ang P19.CD and W21.CH2 other bump:3.19098 Ang G18.CA and W21.CH2 other bump:2.37577 Ang S17.O and W21.CZ3 other bump:3.46057 Ang S17.C and W21.CZ3 other bump:2.9951 Ang P19.CG and W21.CZ3 other bump:2.93151 Ang S17.O and W21.CZ2 other bump:2.94081 Ang P19.CG and W21.CE3 other bump:2.61765 Ang P19.O and W21.CD1 neighbor-bump: 2.09683 Ang G18.O and P19.CD neighbor-bump: 1.92301 Ang G18.CA and P19.CD neighbor-bump: 1.26592 Ang G18.C and P19.CD neighbor-bump: 2.51901 Ang G18.C and P19.CG self-bump: 1.25018 Ang L8.CA and L8.CB T0187 134 :TSESVKRAILQETPKHL 1l2rA 170 :IPKSPYEVLAAKTETRL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.37758 Ang E4.N and R8.NH2 other bump:2.17585 Ang E4.CA and R8.NH2 other bump:2.64948 Ang E4.N and R8.NH1 other bump:2.22125 Ang E4.N and R8.CZ other bump:2.81086 Ang E4.CA and R8.CZ other bump:3.29544 Ang S3.C and R8.CZ other bump:2.62596 Ang E4.N and R8.NE Number of specific fragments= 8 total=926 Number of alignments=212 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1l2rA read from T0187-1l2rA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1l2rA in template set T0187 9 :KTTRRVLELVDQLN 1l2rA 349 :ASAQSITDTASGRE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:1.27417 Ang E9.OE1 and L14.CD1 other bump:2.55165 Ang E9.CB and L14.CD1 other bump:2.53414 Ang E9.CG and L14.CD1 other bump:2.00338 Ang E9.CD and L14.CD1 other bump:2.21098 Ang E9.OE1 and L14.CG neighbor-bump: 2.5415 Ang D12.O and Q13.CG neighbor-bump: 2.12848 Ang D12.O and Q13.CB neighbor-bump: 2.56185 Ang D12.C and Q13.CB other bump:2.18824 Ang E9.O and D12.OD2 other bump:2.85908 Ang E9.C and D12.OD2 T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHL 1l2rA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.93284 Ang I40.CG2 and R44.NH2 other bump:1.92382 Ang I40.CG2 and R44.NH1 other bump:2.51749 Ang I40.CG2 and R44.CZ other bump:2.24901 Ang L3.CB and K25.NZ other bump:2.7017 Ang L3.CB and K25.CE other bump:1.86304 Ang G5.O and E22.OE2 other bump:1.70795 Ang G5.C and E22.OE2 other bump:1.53568 Ang G6.N and E22.OE2 other bump:2.73266 Ang G6.CA and E22.OE2 other bump:2.29334 Ang G5.O and E22.OE1 other bump:2.02964 Ang G5.O and E22.CD other bump:2.48337 Ang G5.C and E22.CD other bump:2.74494 Ang G6.N and E22.CD other bump:2.22724 Ang L13.CB and E16.OE2 other bump:0.739566 Ang L13.CG and E16.OE2 other bump:1.45211 Ang L13.CD1 and E16.OE2 other bump:1.21528 Ang L13.CD2 and E16.OE2 other bump:2.25905 Ang L13.CA and E16.OE1 other bump:0.787112 Ang L13.CB and E16.OE1 other bump:1.56299 Ang L13.CG and E16.OE1 other bump:2.93343 Ang L13.CD1 and E16.OE1 other bump:2.19602 Ang L13.CD2 and E16.OE1 other bump:2.90826 Ang L13.CA and E16.CD other bump:1.61655 Ang L13.CB and E16.CD other bump:0.807651 Ang L13.CG and E16.CD other bump:2.33478 Ang L13.CD1 and E16.CD other bump:1.53682 Ang L13.CD2 and E16.CD other bump:3.05177 Ang L13.C and E16.CD other bump:2.90158 Ang L13.CB and E16.CG other bump:2.17553 Ang L13.CG and E16.CG other bump:2.55591 Ang L13.CD2 and E16.CG neighbor-bump: 2.67099 Ang P14.C and L15.CB Number of specific fragments= 2 total=928 Number of alignments=213 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1l2rA read from T0187-1l2rA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1l2rA in template set T0187 7 :TIKTTRRVLELVDQLN 1l2rA 347 :LEASAQSITDTASGRE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.55165 Ang E11.CB and L16.CD1 other bump:2.53414 Ang E11.CG and L16.CD1 other bump:2.00338 Ang E11.CD and L16.CD1 other bump:1.27417 Ang E11.OE1 and L16.CD1 other bump:2.21098 Ang E11.OE1 and L16.CG neighbor-bump: 2.5415 Ang D14.O and Q15.CG neighbor-bump: 2.12848 Ang D14.O and Q15.CB neighbor-bump: 2.56185 Ang D14.C and Q15.CB other bump:2.18824 Ang E11.O and D14.OD2 other bump:2.85908 Ang E11.C and D14.OD2 T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHLSQV 1l2rA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKLVSL Fragment has 49 clashes (null) has 49 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 51 residues other bump:2.37258 Ang H46.CB and Q49.NE2 other bump:2.72401 Ang H46.CG and Q49.NE2 other bump:1.6546 Ang H46.CA and Q49.NE2 other bump:2.32608 Ang H46.C and Q49.NE2 other bump:1.61202 Ang K45.O and Q49.OE1 other bump:2.21757 Ang K45.C and Q49.OE1 other bump:2.37114 Ang H46.N and Q49.OE1 other bump:1.97603 Ang H46.CA and Q49.OE1 other bump:1.99615 Ang H46.O and Q49.OE1 other bump:1.76071 Ang H46.C and Q49.OE1 other bump:2.48101 Ang K45.O and Q49.CD other bump:3.07532 Ang K45.C and Q49.CD other bump:2.96163 Ang H46.N and Q49.CD other bump:2.05244 Ang H46.CA and Q49.CD other bump:1.8518 Ang H46.O and Q49.CD other bump:2.0913 Ang H46.C and Q49.CD other bump:2.53146 Ang H46.O and Q49.CG other bump:2.93284 Ang I40.CG2 and R44.NH2 other bump:1.92382 Ang I40.CG2 and R44.NH1 other bump:2.51749 Ang I40.CG2 and R44.CZ other bump:2.24901 Ang L3.CB and K25.NZ other bump:2.7017 Ang L3.CB and K25.CE other bump:1.86304 Ang G5.O and E22.OE2 other bump:1.70795 Ang G5.C and E22.OE2 other bump:1.53568 Ang G6.N and E22.OE2 other bump:2.73266 Ang G6.CA and E22.OE2 other bump:2.29334 Ang G5.O and E22.OE1 other bump:2.02964 Ang G5.O and E22.CD other bump:2.48337 Ang G5.C and E22.CD other bump:2.74494 Ang G6.N and E22.CD other bump:2.22724 Ang L13.CB and E16.OE2 other bump:0.739566 Ang L13.CG and E16.OE2 other bump:1.45211 Ang L13.CD1 and E16.OE2 other bump:1.21528 Ang L13.CD2 and E16.OE2 other bump:2.25905 Ang L13.CA and E16.OE1 other bump:0.787112 Ang L13.CB and E16.OE1 other bump:1.56299 Ang L13.CG and E16.OE1 other bump:2.93343 Ang L13.CD1 and E16.OE1 other bump:2.19602 Ang L13.CD2 and E16.OE1 other bump:2.90826 Ang L13.CA and E16.CD other bump:1.61655 Ang L13.CB and E16.CD other bump:0.807651 Ang L13.CG and E16.CD other bump:2.33478 Ang L13.CD1 and E16.CD other bump:1.53682 Ang L13.CD2 and E16.CD other bump:3.05177 Ang L13.C and E16.CD other bump:2.90158 Ang L13.CB and E16.CG other bump:2.17553 Ang L13.CG and E16.CG other bump:2.55591 Ang L13.CD2 and E16.CG neighbor-bump: 2.67099 Ang P14.C and L15.CB Number of specific fragments= 2 total=930 Number of alignments=214 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1l2rA read from T0187-1l2rA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1l2rA in template set T0187 3 :P 1l2rA 3 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :DENTIKTTRRVLELVDQLN 1l2rA 28 :DLMKIPMKAMELKQKYGLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 39 :FELPLEGVSLEEIQKLTSALLK 1l2rA 47 :FKGEFIPTDKDMMEKLFKAGFE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.67043 Ang F2.CD1 and E13.OE2 T0187 61 :SGASIEEINTVRKHLS 1l2rA 131 :TGSPISEDVFMPVHMS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.8621 Ang I6.CD1 and K14.NZ other bump:2.05437 Ang I6.CD1 and K14.CE other bump:2.33611 Ang I6.CD1 and K14.CD other bump:3.05871 Ang I6.CG1 and K14.CD other bump:3.0076 Ang E7.CD and I9.CG1 T0187 86 :RVFPAKVVALVL 1l2rA 147 :YALEKEVDTIVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0187 98 :SDVLGDRLDVIAS 1l2rA 168 :SPIPKSPYEVLAA Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.4435 Ang D3.OD2 and A13.CB other bump:2.86295 Ang D3.OD1 and D10.C other bump:2.34313 Ang L5.CG and D10.OD2 other bump:2.49322 Ang L5.CD1 and D10.OD2 other bump:1.43894 Ang L5.CD2 and D10.OD2 other bump:2.40195 Ang L5.CD2 and D10.OD1 other bump:2.4268 Ang L5.CG and D10.CG other bump:1.44327 Ang L5.CD2 and D10.CG other bump:1.91645 Ang L5.CD2 and D10.CB other bump:2.51507 Ang D3.OD2 and D10.CA other bump:2.43092 Ang D3.CG and D10.CA other bump:1.7298 Ang D3.OD1 and D10.CA other bump:2.79424 Ang D3.CG and D10.N other bump:1.60106 Ang D3.OD1 and D10.N other bump:2.77349 Ang D3.CG and L9.C other bump:1.70773 Ang D3.OD1 and L9.C other bump:2.39373 Ang D3.CG and L9.O other bump:1.83467 Ang D3.OD1 and L9.O other bump:2.34629 Ang V4.CG2 and D7.OD2 other bump:2.21495 Ang V4.CB and D7.OD2 neighbor-bump: 2.47161 Ang L5.CB and G6.N self-bump: 2.21219 Ang L5.CB and L5.C self-bump: 1.28232 Ang L5.CA and L5.CB T0187 117 :SSTSEDALKVLEKYGIE 1l2rA 181 :KTETRLIKNACAMAGRP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.69526 Ang E13.CG and E18.CG neighbor-bump: 2.89977 Ang G16.C and I17.CG1 other bump:2.40526 Ang V11.CG1 and Y15.CE2 other bump:2.91813 Ang V11.O and Y15.CE2 other bump:2.25041 Ang V11.O and Y15.CD2 other bump:3.08533 Ang V11.C and Y15.CD2 T0187 134 :TSESVKRAILQETPKHL 1l2rA 206 :TSLSAQGNISADCTGGM Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.05052 Ang T14.OG1 and H17.CB neighbor-bump: 2.62554 Ang P15.C and K16.CB other bump:2.77781 Ang E4.N and R8.NH2 other bump:2.95204 Ang E4.C and R8.NH2 other bump:2.63678 Ang S5.N and R8.NH2 other bump:2.77155 Ang E4.CA and R8.NH2 other bump:2.53979 Ang E4.CB and R8.NH2 other bump:1.35127 Ang E4.N and R8.NH1 other bump:2.42906 Ang S3.CA and R8.NH1 other bump:2.16555 Ang S3.C and R8.NH1 other bump:2.54788 Ang E4.CA and R8.NH1 other bump:2.29431 Ang E4.N and R8.CZ other bump:3.19574 Ang E4.C and R8.CZ other bump:2.60501 Ang S5.N and R8.CZ other bump:2.94239 Ang E4.CA and R8.CZ other bump:2.9885 Ang S3.CB and R8.CB Number of specific fragments= 8 total=938 Number of alignments=215 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1l2rA read from T0187-1l2rA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1l2rA in template set T0187 3 :P 1l2rA 3 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :DENTIKTTRRV 1l2rA 8 :DCYDFYDRAKV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.96059 Ang I6.CG2 and R10.NH2 other bump:2.221 Ang I6.CG2 and R10.NH1 other bump:2.27325 Ang I6.CG2 and R10.CZ other bump:2.67611 Ang I6.CG2 and R10.NE T0187 15 :LELVDQLNEND 1l2rA 39 :LKQKYGLDFKG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.28034 Ang N9.OD1 and N11.OD1 T0187 39 :FELPLEGVSLEEI 1l2rA 50 :EFIPTDKDMMEKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.92841 Ang P5.CG and L11.CD2 T0187 52 :QKLTSALLKSG 1l2rA 64 :KAGFEMLLECG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues self-bump: 1.36158 Ang S11.CA and S11.CB T0187 69 :NTVRKHLSQVK 1l2rA 89 :DEIWDAINNVQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 80 :GG 1l2rA 128 :GG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 83 :FAERVFPAKVVALV 1l2rA 144 :HMSYALEKEVDTIV Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.87381 Ang A3.CB and F7.CE1 other bump:2.29459 Ang A3.O and F7.CD1 other bump:1.72339 Ang G1.O and E4.OE2 other bump:2.36962 Ang G1.C and E4.OE2 other bump:1.45923 Ang G1.O and E4.OE1 other bump:1.68771 Ang G1.C and E4.OE1 other bump:1.32596 Ang G1.O and E4.CD other bump:2.18461 Ang G1.C and E4.CD other bump:2.49252 Ang G1.O and E4.CG T0187 97 :L 1l2rA 161 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 98 :SDVLGDRLDVIAS 1l2rA 168 :SPIPKSPYEVLAA Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.4435 Ang D3.OD2 and A13.CB other bump:2.86295 Ang D3.OD1 and D10.C other bump:2.34313 Ang L5.CG and D10.OD2 other bump:2.49322 Ang L5.CD1 and D10.OD2 other bump:1.43894 Ang L5.CD2 and D10.OD2 other bump:2.40195 Ang L5.CD2 and D10.OD1 other bump:2.4268 Ang L5.CG and D10.CG other bump:1.44327 Ang L5.CD2 and D10.CG other bump:1.91645 Ang L5.CD2 and D10.CB other bump:2.51507 Ang D3.OD2 and D10.CA other bump:2.43092 Ang D3.CG and D10.CA other bump:1.7298 Ang D3.OD1 and D10.CA other bump:2.79424 Ang D3.CG and D10.N other bump:1.60106 Ang D3.OD1 and D10.N other bump:2.77349 Ang D3.CG and L9.C other bump:1.70773 Ang D3.OD1 and L9.C other bump:2.39373 Ang D3.CG and L9.O other bump:1.83467 Ang D3.OD1 and L9.O other bump:2.34629 Ang V4.CG2 and D7.OD2 other bump:2.21495 Ang V4.CB and D7.OD2 neighbor-bump: 2.47161 Ang L5.CB and G6.N self-bump: 2.21219 Ang L5.CB and L5.C self-bump: 1.28232 Ang L5.CA and L5.CB T0187 145 :ETPKHL 1l2rA 181 :KTETRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 11 total=949 Number of alignments=216 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1l2rA read from T0187-1l2rA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1l2rA in template set T0187 3 :PDENTIKT 1l2rA 7 :FDCYDFYD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 11 :TRRVLELVDQLN 1l2rA 88 :EDEIWDAINNVQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0187 23 :END 1l2rA 118 :VGD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 26 :TVLF 1l2rA 125 :IVQG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:1.61501 Ang V3.CG1 and F5.CZ other bump:2.73121 Ang V3.CG1 and F5.CE2 other bump:2.37558 Ang V3.CB and F5.CE1 other bump:1.13061 Ang V3.CG1 and F5.CE1 other bump:2.20983 Ang V3.CG1 and F5.CD1 other bump:3.13276 Ang V3.CG1 and F5.CG T0187 30 :LLSGGG 1l2rA 134 :PISEDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 36 :SSLFELPLEGV 1l2rA 163 :SVRGKSPIPKS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:1.9135 Ang L9.O and V12.CG1 other bump:2.93161 Ang L9.C and V12.CG1 T0187 48 :LEEIQKLTSALLKSGA 1l2rA 181 :KTETRLIKNACAMAGR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.27997 Ang L13.CD2 and G18.CA other bump:1.85741 Ang E3.OE2 and K7.CE other bump:2.64627 Ang E3.CD and K7.CD other bump:1.84113 Ang E3.OE2 and K7.CD T0187 64 :SIEEINTVRKHLSQVK 1l2rA 239 :DLDAISVIAHYKGNSD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.60303 Ang N7.CG and R10.NH2 other bump:1.43342 Ang N7.OD1 and R10.NH2 other bump:2.93465 Ang I6.CG2 and R10.NH1 other bump:2.59489 Ang N7.OD1 and R10.CZ T0187 80 :GG 1l2rA 265 :GG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 82 :RFAERVFPAKVVA 1l2rA 283 :INAVLMSSASWHL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.74196 Ang A4.CB and V13.CG2 other bump:2.27092 Ang E5.OE1 and A10.O neighbor-bump: 2.24099 Ang F8.O and P9.CD self-bump: 2.22864 Ang P9.CA and P9.CD neighbor-bump: 1.70401 Ang F8.C and P9.CD self-bump: 1.39939 Ang P9.CA and P9.CB neighbor-bump: 3.09267 Ang R6.CZ and V7.CG2 other bump:2.58997 Ang F3.CD1 and V7.CG2 other bump:1.79867 Ang F3.CE1 and V7.CG2 neighbor-bump: 2.7801 Ang R6.NH2 and V7.CG2 other bump:2.15426 Ang F3.CZ and V7.CG2 other bump:3.08645 Ang F3.CE2 and V7.CG2 other bump:2.79656 Ang F3.CZ and V7.CG1 other bump:2.98245 Ang F3.CE1 and V7.CB other bump:2.68324 Ang F3.CZ and V7.CB other bump:3.1125 Ang F3.CE2 and V7.CB other bump:2.19806 Ang F3.CE1 and R6.NH2 T0187 95 :LVLSDVLGDR 1l2rA 330 :SGNQYYPCAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 105 :LDVIASGPA 1l2rA 354 :ITDTASGRE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77618 Ang V4.CG1 and P9.CG other bump:2.79215 Ang V4.CG1 and P9.CB T0187 114 :WPDSS 1l2rA 367 :VASAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 119 :TSEDALKVLEK 1l2rA 397 :EISEVNVILDK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.46521 Ang K8.NZ and K12.NZ T0187 130 :YGIETS 1l2rA 417 :ASAPAG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.30035 Ang T6.O and S7.CB neighbor-bump: 2.64922 Ang T6.C and S7.CB T0187 136 :ESVKRAILQETPK 1l2rA 438 :EEYMQVYDGARKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues Number of specific fragments= 16 total=965 Number of alignments=217 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1l2rA read from T0187-1l2rA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1l2rA in template set T0187 3 :PD 1l2rA 7 :FD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 5 :ENTIKTT 1l2rA 60 :EKLFKAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 12 :RRVLELVDQLN 1l2rA 89 :DEIWDAINNVQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 23 :END 1l2rA 118 :VGD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 26 :TVLF 1l2rA 125 :IVQG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:1.61501 Ang V3.CG1 and F5.CZ other bump:2.73121 Ang V3.CG1 and F5.CE2 other bump:2.37558 Ang V3.CB and F5.CE1 other bump:1.13061 Ang V3.CG1 and F5.CE1 other bump:2.20983 Ang V3.CG1 and F5.CD1 other bump:3.13276 Ang V3.CG1 and F5.CG T0187 30 :LLSGGG 1l2rA 134 :PISEDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 36 :SSLFELPLEGV 1l2rA 163 :SVRGKSPIPKS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:1.9135 Ang L9.O and V12.CG1 other bump:2.93161 Ang L9.C and V12.CG1 T0187 48 :LEEIQKLTSALLKSGA 1l2rA 181 :KTETRLIKNACAMAGR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.27997 Ang L13.CD2 and G18.CA other bump:1.85741 Ang E3.OE2 and K7.CE other bump:2.64627 Ang E3.CD and K7.CD other bump:1.84113 Ang E3.OE2 and K7.CD T0187 64 :SIEEINTVRKHLSQVK 1l2rA 239 :DLDAISVIAHYKGNSD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.60303 Ang N7.CG and R10.NH2 other bump:1.43342 Ang N7.OD1 and R10.NH2 other bump:2.93465 Ang I6.CG2 and R10.NH1 other bump:2.59489 Ang N7.OD1 and R10.CZ T0187 80 :GG 1l2rA 265 :GG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 82 :RFAERVFPAKVVA 1l2rA 283 :INAVLMSSASWHL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.74196 Ang A4.CB and V13.CG2 other bump:2.27092 Ang E5.OE1 and A10.O neighbor-bump: 2.24099 Ang F8.O and P9.CD self-bump: 2.22864 Ang P9.CA and P9.CD neighbor-bump: 1.70401 Ang F8.C and P9.CD self-bump: 1.39939 Ang P9.CA and P9.CB neighbor-bump: 3.09267 Ang R6.CZ and V7.CG2 other bump:2.58997 Ang F3.CD1 and V7.CG2 other bump:1.79867 Ang F3.CE1 and V7.CG2 neighbor-bump: 2.7801 Ang R6.NH2 and V7.CG2 other bump:2.15426 Ang F3.CZ and V7.CG2 other bump:3.08645 Ang F3.CE2 and V7.CG2 other bump:2.79656 Ang F3.CZ and V7.CG1 other bump:2.98245 Ang F3.CE1 and V7.CB other bump:2.68324 Ang F3.CZ and V7.CB other bump:3.1125 Ang F3.CE2 and V7.CB other bump:2.19806 Ang F3.CE1 and R6.NH2 T0187 95 :LVLSDVLGDR 1l2rA 330 :SGNQYYPCAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 105 :LDVIASGPA 1l2rA 354 :ITDTASGRE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77618 Ang V4.CG1 and P9.CG other bump:2.79215 Ang V4.CG1 and P9.CB T0187 114 :WPDSS 1l2rA 367 :VASAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 119 :TSEDALKVLEK 1l2rA 397 :EISEVNVILDK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.46521 Ang K8.NZ and K12.NZ T0187 131 :GIE 1l2rA 414 :KNY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 134 :TS 1l2rA 419 :AP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 136 :ESVKRAILQETPK 1l2rA 438 :EEYMQVYDGARKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues Number of specific fragments= 18 total=983 Number of alignments=218 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1l2rA read from T0187-1l2rA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1l2rA in template set T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHL 1l2rA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.93284 Ang I40.CG2 and R44.NH2 other bump:1.92382 Ang I40.CG2 and R44.NH1 other bump:2.51749 Ang I40.CG2 and R44.CZ other bump:2.24901 Ang L3.CB and K25.NZ other bump:2.7017 Ang L3.CB and K25.CE other bump:1.86304 Ang G5.O and E22.OE2 other bump:1.70795 Ang G5.C and E22.OE2 other bump:1.53568 Ang G6.N and E22.OE2 other bump:2.73266 Ang G6.CA and E22.OE2 other bump:2.29334 Ang G5.O and E22.OE1 other bump:2.02964 Ang G5.O and E22.CD other bump:2.48337 Ang G5.C and E22.CD other bump:2.74494 Ang G6.N and E22.CD other bump:2.22724 Ang L13.CB and E16.OE2 other bump:0.739566 Ang L13.CG and E16.OE2 other bump:1.45211 Ang L13.CD1 and E16.OE2 other bump:1.21528 Ang L13.CD2 and E16.OE2 other bump:2.25905 Ang L13.CA and E16.OE1 other bump:0.787112 Ang L13.CB and E16.OE1 other bump:1.56299 Ang L13.CG and E16.OE1 other bump:2.93343 Ang L13.CD1 and E16.OE1 other bump:2.19602 Ang L13.CD2 and E16.OE1 other bump:2.90826 Ang L13.CA and E16.CD other bump:1.61655 Ang L13.CB and E16.CD other bump:0.807651 Ang L13.CG and E16.CD other bump:2.33478 Ang L13.CD1 and E16.CD other bump:1.53682 Ang L13.CD2 and E16.CD other bump:3.05177 Ang L13.C and E16.CD other bump:2.90158 Ang L13.CB and E16.CG other bump:2.17553 Ang L13.CG and E16.CG other bump:2.55591 Ang L13.CD2 and E16.CG neighbor-bump: 2.67099 Ang P14.C and L15.CB Number of specific fragments= 1 total=984 Number of alignments=219 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1l2rA read from T0187-1l2rA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1l2rA in template set T0187 7 :TIKTTRRVLELVDQLN 1l2rA 347 :LEASAQSITDTASGRE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.55165 Ang E11.CB and L16.CD1 other bump:2.53414 Ang E11.CG and L16.CD1 other bump:2.00338 Ang E11.CD and L16.CD1 other bump:1.27417 Ang E11.OE1 and L16.CD1 other bump:2.21098 Ang E11.OE1 and L16.CG neighbor-bump: 2.5415 Ang D14.O and Q15.CG neighbor-bump: 2.12848 Ang D14.O and Q15.CB neighbor-bump: 2.56185 Ang D14.C and Q15.CB other bump:2.18824 Ang E11.O and D14.OD2 other bump:2.85908 Ang E11.C and D14.OD2 T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHLSQ 1l2rA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKLVS Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 50 residues other bump:2.93284 Ang I40.CG2 and R44.NH2 other bump:1.92382 Ang I40.CG2 and R44.NH1 other bump:2.51749 Ang I40.CG2 and R44.CZ other bump:2.24901 Ang L3.CB and K25.NZ other bump:2.7017 Ang L3.CB and K25.CE other bump:1.86304 Ang G5.O and E22.OE2 other bump:1.70795 Ang G5.C and E22.OE2 other bump:1.53568 Ang G6.N and E22.OE2 other bump:2.73266 Ang G6.CA and E22.OE2 other bump:2.29334 Ang G5.O and E22.OE1 other bump:2.02964 Ang G5.O and E22.CD other bump:2.48337 Ang G5.C and E22.CD other bump:2.74494 Ang G6.N and E22.CD other bump:2.22724 Ang L13.CB and E16.OE2 other bump:0.739566 Ang L13.CG and E16.OE2 other bump:1.45211 Ang L13.CD1 and E16.OE2 other bump:1.21528 Ang L13.CD2 and E16.OE2 other bump:2.25905 Ang L13.CA and E16.OE1 other bump:0.787112 Ang L13.CB and E16.OE1 other bump:1.56299 Ang L13.CG and E16.OE1 other bump:2.93343 Ang L13.CD1 and E16.OE1 other bump:2.19602 Ang L13.CD2 and E16.OE1 other bump:2.90826 Ang L13.CA and E16.CD other bump:1.61655 Ang L13.CB and E16.CD other bump:0.807651 Ang L13.CG and E16.CD other bump:2.33478 Ang L13.CD1 and E16.CD other bump:1.53682 Ang L13.CD2 and E16.CD other bump:3.05177 Ang L13.C and E16.CD other bump:2.90158 Ang L13.CB and E16.CG other bump:2.17553 Ang L13.CG and E16.CG other bump:2.55591 Ang L13.CD2 and E16.CG neighbor-bump: 2.67099 Ang P14.C and L15.CB Number of specific fragments= 2 total=986 Number of alignments=220 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1l2rA read from T0187-1l2rA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1l2rA in template set T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHL 1l2rA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.93284 Ang I40.CG2 and R44.NH2 other bump:1.92382 Ang I40.CG2 and R44.NH1 other bump:2.51749 Ang I40.CG2 and R44.CZ other bump:2.24901 Ang L3.CB and K25.NZ other bump:2.7017 Ang L3.CB and K25.CE other bump:1.86304 Ang G5.O and E22.OE2 other bump:1.70795 Ang G5.C and E22.OE2 other bump:1.53568 Ang G6.N and E22.OE2 other bump:2.73266 Ang G6.CA and E22.OE2 other bump:2.29334 Ang G5.O and E22.OE1 other bump:2.02964 Ang G5.O and E22.CD other bump:2.48337 Ang G5.C and E22.CD other bump:2.74494 Ang G6.N and E22.CD other bump:2.22724 Ang L13.CB and E16.OE2 other bump:0.739566 Ang L13.CG and E16.OE2 other bump:1.45211 Ang L13.CD1 and E16.OE2 other bump:1.21528 Ang L13.CD2 and E16.OE2 other bump:2.25905 Ang L13.CA and E16.OE1 other bump:0.787112 Ang L13.CB and E16.OE1 other bump:1.56299 Ang L13.CG and E16.OE1 other bump:2.93343 Ang L13.CD1 and E16.OE1 other bump:2.19602 Ang L13.CD2 and E16.OE1 other bump:2.90826 Ang L13.CA and E16.CD other bump:1.61655 Ang L13.CB and E16.CD other bump:0.807651 Ang L13.CG and E16.CD other bump:2.33478 Ang L13.CD1 and E16.CD other bump:1.53682 Ang L13.CD2 and E16.CD other bump:3.05177 Ang L13.C and E16.CD other bump:2.90158 Ang L13.CB and E16.CG other bump:2.17553 Ang L13.CG and E16.CG other bump:2.55591 Ang L13.CD2 and E16.CG neighbor-bump: 2.67099 Ang P14.C and L15.CB Number of specific fragments= 1 total=987 Number of alignments=221 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1l2rA read from T0187-1l2rA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1l2rA in template set T0187 7 :TIKTTRRVLELVDQLN 1l2rA 347 :LEASAQSITDTASGRE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.55165 Ang E11.CB and L16.CD1 other bump:2.53414 Ang E11.CG and L16.CD1 other bump:2.00338 Ang E11.CD and L16.CD1 other bump:1.27417 Ang E11.OE1 and L16.CD1 other bump:2.21098 Ang E11.OE1 and L16.CG neighbor-bump: 2.5415 Ang D14.O and Q15.CG neighbor-bump: 2.12848 Ang D14.O and Q15.CB neighbor-bump: 2.56185 Ang D14.C and Q15.CB other bump:2.18824 Ang E11.O and D14.OD2 other bump:2.85908 Ang E11.C and D14.OD2 T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHLSQ 1l2rA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKLVS Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 50 residues other bump:2.93284 Ang I40.CG2 and R44.NH2 other bump:1.92382 Ang I40.CG2 and R44.NH1 other bump:2.51749 Ang I40.CG2 and R44.CZ other bump:2.24901 Ang L3.CB and K25.NZ other bump:2.7017 Ang L3.CB and K25.CE other bump:1.86304 Ang G5.O and E22.OE2 other bump:1.70795 Ang G5.C and E22.OE2 other bump:1.53568 Ang G6.N and E22.OE2 other bump:2.73266 Ang G6.CA and E22.OE2 other bump:2.29334 Ang G5.O and E22.OE1 other bump:2.02964 Ang G5.O and E22.CD other bump:2.48337 Ang G5.C and E22.CD other bump:2.74494 Ang G6.N and E22.CD other bump:2.22724 Ang L13.CB and E16.OE2 other bump:0.739566 Ang L13.CG and E16.OE2 other bump:1.45211 Ang L13.CD1 and E16.OE2 other bump:1.21528 Ang L13.CD2 and E16.OE2 other bump:2.25905 Ang L13.CA and E16.OE1 other bump:0.787112 Ang L13.CB and E16.OE1 other bump:1.56299 Ang L13.CG and E16.OE1 other bump:2.93343 Ang L13.CD1 and E16.OE1 other bump:2.19602 Ang L13.CD2 and E16.OE1 other bump:2.90826 Ang L13.CA and E16.CD other bump:1.61655 Ang L13.CB and E16.CD other bump:0.807651 Ang L13.CG and E16.CD other bump:2.33478 Ang L13.CD1 and E16.CD other bump:1.53682 Ang L13.CD2 and E16.CD other bump:3.05177 Ang L13.C and E16.CD other bump:2.90158 Ang L13.CB and E16.CG other bump:2.17553 Ang L13.CG and E16.CG other bump:2.55591 Ang L13.CD2 and E16.CG neighbor-bump: 2.67099 Ang P14.C and L15.CB Number of specific fragments= 2 total=989 Number of alignments=222 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-local-adpstyle1.pw.a2m.gz # 1l2rA read from T0187-1l2rA-local-adpstyle1.pw.a2m.gz # found chain 1l2rA in template set T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHL 1l2rA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.93284 Ang I40.CG2 and R44.NH2 other bump:1.92382 Ang I40.CG2 and R44.NH1 other bump:2.51749 Ang I40.CG2 and R44.CZ other bump:2.24901 Ang L3.CB and K25.NZ other bump:2.7017 Ang L3.CB and K25.CE other bump:1.86304 Ang G5.O and E22.OE2 other bump:1.70795 Ang G5.C and E22.OE2 other bump:1.53568 Ang G6.N and E22.OE2 other bump:2.73266 Ang G6.CA and E22.OE2 other bump:2.29334 Ang G5.O and E22.OE1 other bump:2.02964 Ang G5.O and E22.CD other bump:2.48337 Ang G5.C and E22.CD other bump:2.74494 Ang G6.N and E22.CD other bump:2.22724 Ang L13.CB and E16.OE2 other bump:0.739566 Ang L13.CG and E16.OE2 other bump:1.45211 Ang L13.CD1 and E16.OE2 other bump:1.21528 Ang L13.CD2 and E16.OE2 other bump:2.25905 Ang L13.CA and E16.OE1 other bump:0.787112 Ang L13.CB and E16.OE1 other bump:1.56299 Ang L13.CG and E16.OE1 other bump:2.93343 Ang L13.CD1 and E16.OE1 other bump:2.19602 Ang L13.CD2 and E16.OE1 other bump:2.90826 Ang L13.CA and E16.CD other bump:1.61655 Ang L13.CB and E16.CD other bump:0.807651 Ang L13.CG and E16.CD other bump:2.33478 Ang L13.CD1 and E16.CD other bump:1.53682 Ang L13.CD2 and E16.CD other bump:3.05177 Ang L13.C and E16.CD other bump:2.90158 Ang L13.CB and E16.CG other bump:2.17553 Ang L13.CG and E16.CG other bump:2.55591 Ang L13.CD2 and E16.CG neighbor-bump: 2.67099 Ang P14.C and L15.CB Number of specific fragments= 1 total=990 Number of alignments=223 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-local-adpstyle5.pw.a2m.gz # 1l2rA read from T0187-1l2rA-local-adpstyle5.pw.a2m.gz # found chain 1l2rA in template set Number of specific fragments= 0 total=990 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-simpleSW-adpstyle1.pw.a2m.gz # 1l2rA read from T0187-1l2rA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1l2rA in template set T0187 78 :VKGGRFAERVFPAKVVALVLSDVLGDRLDVIASG 1l2rA 126 :VQGGPTGSPISEDVFMPVHMSYALEKEVDTIVNG Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.62063 Ang K3.CE and A33.CB other bump:2.79272 Ang K3.CE and A33.CA other bump:2.98732 Ang G4.CA and L29.CD2 other bump:3.00836 Ang D23.CA and L29.CD1 other bump:2.8275 Ang D23.CB and L29.CD1 other bump:2.50574 Ang G5.CA and D23.OD2 other bump:2.4539 Ang R6.NE and L19.CD2 other bump:2.03544 Ang R6.CZ and L19.CD2 other bump:1.26909 Ang R6.NH2 and L19.CD2 other bump:2.57563 Ang V11.CG2 and L19.CD2 other bump:2.56468 Ang R6.NE and L19.CG other bump:1.46974 Ang R6.NH2 and L19.CG other bump:2.7678 Ang R6.NE and L19.CB other bump:2.08503 Ang R6.CZ and L19.CB other bump:1.48015 Ang R6.NH2 and L19.CB other bump:2.94403 Ang R6.NH2 and L19.CA other bump:3.05492 Ang F12.CD1 and A14.CB other bump:2.29682 Ang F12.CE1 and A14.CB other bump:2.97033 Ang F12.CE1 and A14.CA other bump:2.60272 Ang F12.CD1 and A14.N other bump:2.72078 Ang F12.CE1 and A14.N other bump:2.96812 Ang R6.NE and V11.CG2 other bump:2.37993 Ang R6.CZ and V11.CG2 other bump:2.4249 Ang R6.NH1 and V11.CG2 other bump:2.7284 Ang R6.NH2 and V11.CG2 other bump:2.05848 Ang R6.CD and V11.CG1 other bump:2.41109 Ang R6.NE and V11.CG1 other bump:2.98838 Ang R6.CZ and V11.CG1 neighbor-bump: 2.54875 Ang F7.C and A8.CB other bump:2.77611 Ang G5.O and F7.CE2 other bump:2.1971 Ang G5.O and F7.CD2 neighbor-bump: 2.66101 Ang R6.C and F7.CB Number of specific fragments= 1 total=991 Number of alignments=224 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-simpleSW-adpstyle5.pw.a2m.gz # 1l2rA read from T0187-1l2rA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1l2rA in template set Number of specific fragments= 0 total=991 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-vit-adpstyle1.pw.a2m.gz # 1l2rA read from T0187-1l2rA-vit-adpstyle1.pw.a2m.gz # found chain 1l2rA in template set T0187 30 :LLSGGGSSLFELPLEGVSLEEIQKLTSALLKSGASIEEINTVRKHL 1l2rA 363 :ILSGVASAKGVVTDKTTGMEARMMGEVARATAGVEISEVNVILDKL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.93284 Ang I40.CG2 and R44.NH2 other bump:1.92382 Ang I40.CG2 and R44.NH1 other bump:2.51749 Ang I40.CG2 and R44.CZ other bump:2.24901 Ang L3.CB and K25.NZ other bump:2.7017 Ang L3.CB and K25.CE other bump:1.86304 Ang G5.O and E22.OE2 other bump:1.70795 Ang G5.C and E22.OE2 other bump:1.53568 Ang G6.N and E22.OE2 other bump:2.73266 Ang G6.CA and E22.OE2 other bump:2.29334 Ang G5.O and E22.OE1 other bump:2.02964 Ang G5.O and E22.CD other bump:2.48337 Ang G5.C and E22.CD other bump:2.74494 Ang G6.N and E22.CD other bump:2.22724 Ang L13.CB and E16.OE2 other bump:0.739566 Ang L13.CG and E16.OE2 other bump:1.45211 Ang L13.CD1 and E16.OE2 other bump:1.21528 Ang L13.CD2 and E16.OE2 other bump:2.25905 Ang L13.CA and E16.OE1 other bump:0.787112 Ang L13.CB and E16.OE1 other bump:1.56299 Ang L13.CG and E16.OE1 other bump:2.93343 Ang L13.CD1 and E16.OE1 other bump:2.19602 Ang L13.CD2 and E16.OE1 other bump:2.90826 Ang L13.CA and E16.CD other bump:1.61655 Ang L13.CB and E16.CD other bump:0.807651 Ang L13.CG and E16.CD other bump:2.33478 Ang L13.CD1 and E16.CD other bump:1.53682 Ang L13.CD2 and E16.CD other bump:3.05177 Ang L13.C and E16.CD other bump:2.90158 Ang L13.CB and E16.CG other bump:2.17553 Ang L13.CG and E16.CG other bump:2.55591 Ang L13.CD2 and E16.CG neighbor-bump: 2.67099 Ang P14.C and L15.CB Number of specific fragments= 1 total=992 Number of alignments=225 # Reading fragments from alignment file # T0187 read from T0187-1l2rA-vit-adpstyle5.pw.a2m.gz # 1l2rA read from T0187-1l2rA-vit-adpstyle5.pw.a2m.gz # found chain 1l2rA in template set Number of specific fragments= 0 total=992 # Prefix for input files set to 1xxaA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1xxaA-T0187-fssp-global-adpstyle1.pw.a2m.gz # 1xxaA read from 1xxaA-T0187-fssp-global-adpstyle1.pw.a2m.gz # found chain 1xxaA in template set T0187 93 :VALVLS 1xxaA 83 :KNLVLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 99 :DVLGDRLDVIASGPAWPDSSTSEDALKVLEKY 1xxaA 106 :QLIARLLDSLGKAEGILGTIAGDDTIFTTPAN Fragment has 52 clashes (null) has 52 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.24614 Ang S13.N and K32.NZ other bump:1.15623 Ang S13.CB and K32.NZ other bump:0.893549 Ang S13.CA and K32.NZ other bump:2.00631 Ang S13.O and K32.NZ other bump:1.47226 Ang S13.C and K32.NZ other bump:2.1233 Ang S13.OG and K32.NZ other bump:2.33118 Ang S13.N and K32.CE other bump:1.6975 Ang S13.CB and K32.CE other bump:1.32707 Ang S13.CA and K32.CE other bump:2.59327 Ang S13.C and K32.CE other bump:2.97389 Ang S13.CB and K32.CD other bump:2.4248 Ang S13.CA and K32.CD other bump:3.05709 Ang S13.C and K32.CD other bump:3.12844 Ang W17.C and K32.CG other bump:2.66372 Ang P18.CD and K32.N other bump:2.50621 Ang P18.CD and E31.C other bump:2.90548 Ang P18.CG and E31.C other bump:2.77197 Ang P18.CD and E31.CA other bump:3.04724 Ang P18.CD and E31.N other bump:2.64091 Ang P18.CD and L30.C other bump:2.65288 Ang P18.CG and L30.C other bump:1.70586 Ang P18.CD and L30.O other bump:1.97986 Ang P18.CG and L30.O other bump:2.96851 Ang T22.CA and L27.CD2 other bump:2.50577 Ang T22.CB and L27.CD2 other bump:1.27055 Ang T22.OG1 and L27.CD2 other bump:2.27027 Ang S23.OG and A26.N other bump:2.28179 Ang S23.OG and D25.N neighbor-bump: 2.24881 Ang S23.CB and E24.N neighbor-bump: 2.17115 Ang S23.OG and E24.N other bump:3.01046 Ang D2.CG and T22.CG2 other bump:1.9077 Ang D2.OD1 and T22.CG2 other bump:3.04989 Ang D2.CA and T22.CG2 other bump:2.80128 Ang L8.CG and W17.CH2 other bump:2.52354 Ang L8.CB and W17.CH2 other bump:2.43575 Ang L8.CA and W17.CH2 other bump:2.86441 Ang L8.O and W17.CH2 other bump:2.74288 Ang I11.CD1 and W17.CH2 other bump:3.05889 Ang L8.C and W17.CH2 other bump:2.30735 Ang L8.CB and W17.CZ3 other bump:2.14961 Ang L8.CA and W17.CZ3 other bump:1.64673 Ang L8.O and W17.CZ3 other bump:2.0741 Ang L8.C and W17.CZ3 other bump:2.43864 Ang I11.CD1 and W17.CZ2 other bump:2.0064 Ang L8.O and W17.CE3 other bump:2.93073 Ang L8.C and W17.CE3 neighbor-bump: 2.10687 Ang P15.O and A16.CB neighbor-bump: 2.37753 Ang P15.C and A16.CB other bump:2.68009 Ang I11.CG2 and P15.CB neighbor-bump: 2.4116 Ang A12.CB and S13.N self-bump: 2.19715 Ang A12.CB and A12.C self-bump: 1.29493 Ang A12.CA and A12.CB T0187 133 :ETSESVKRAILQE 1xxaA 139 :FTVKDLYEAILEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.69786 Ang A10.O and E14.CB other bump:2.59684 Ang R9.O and Q13.CB Number of specific fragments= 3 total=995 Number of alignments=226 # Reading fragments from alignment file # T0187 read from 1xxaA-T0187-fssp-global-adpstyle5.pw.a2m.gz # 1xxaA read from 1xxaA-T0187-fssp-global-adpstyle5.pw.a2m.gz # found chain 1xxaA in template set T0187 93 :VALVLSDV 1xxaA 83 :KNLVLDID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 101 :LGDRLDVIASGPAWPDSSTSEDALKVLEKYGI 1xxaA 108 :IARLLDSLGKAEGILGTIAGDDTIFTTPANGF Fragment has 57 clashes (null) has 57 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.83058 Ang E29.CD and G34.CA other bump:1.84124 Ang E29.OE1 and G34.CA other bump:3.05211 Ang E29.CD and G34.N other bump:2.24273 Ang E29.OE1 and G34.N other bump:2.54599 Ang E29.OE1 and I33.C other bump:1.87915 Ang A14.CB and I33.CD1 other bump:2.10033 Ang A14.CA and I33.CD1 other bump:3.02109 Ang E29.CD and I33.CG2 other bump:2.24614 Ang S11.N and K30.NZ other bump:1.15623 Ang S11.CB and K30.NZ other bump:0.893549 Ang S11.CA and K30.NZ other bump:2.00631 Ang S11.O and K30.NZ other bump:1.47226 Ang S11.C and K30.NZ other bump:2.1233 Ang S11.OG and K30.NZ other bump:2.33118 Ang S11.N and K30.CE other bump:1.6975 Ang S11.CB and K30.CE other bump:1.32707 Ang S11.CA and K30.CE other bump:2.59327 Ang S11.C and K30.CE other bump:2.97389 Ang S11.CB and K30.CD other bump:2.4248 Ang S11.CA and K30.CD other bump:3.05709 Ang S11.C and K30.CD other bump:3.12844 Ang W15.C and K30.CG other bump:2.66372 Ang P16.CD and K30.N other bump:2.90548 Ang P16.CG and E29.C other bump:2.50621 Ang P16.CD and E29.C other bump:2.77197 Ang P16.CD and E29.CA other bump:3.04724 Ang P16.CD and E29.N other bump:2.65288 Ang P16.CG and L28.C other bump:2.64091 Ang P16.CD and L28.C other bump:1.97986 Ang P16.CG and L28.O other bump:1.70586 Ang P16.CD and L28.O other bump:2.50577 Ang T20.CB and L25.CD2 other bump:2.96851 Ang T20.CA and L25.CD2 other bump:1.27055 Ang T20.OG1 and L25.CD2 other bump:2.27027 Ang S21.OG and A24.N other bump:2.28179 Ang S21.OG and D23.N neighbor-bump: 2.24881 Ang S21.CB and E22.N neighbor-bump: 2.17115 Ang S21.OG and E22.N other bump:2.80128 Ang L6.CG and W15.CH2 other bump:2.52354 Ang L6.CB and W15.CH2 other bump:2.74288 Ang I9.CD1 and W15.CH2 other bump:2.43575 Ang L6.CA and W15.CH2 other bump:2.86441 Ang L6.O and W15.CH2 other bump:3.05889 Ang L6.C and W15.CH2 other bump:2.30735 Ang L6.CB and W15.CZ3 other bump:2.14961 Ang L6.CA and W15.CZ3 other bump:1.64673 Ang L6.O and W15.CZ3 other bump:2.0741 Ang L6.C and W15.CZ3 other bump:2.43864 Ang I9.CD1 and W15.CZ2 other bump:2.0064 Ang L6.O and W15.CE3 other bump:2.93073 Ang L6.C and W15.CE3 neighbor-bump: 2.10687 Ang P13.O and A14.CB neighbor-bump: 2.37753 Ang P13.C and A14.CB other bump:2.68009 Ang I9.CG2 and P13.CB neighbor-bump: 2.4116 Ang A10.CB and S11.N self-bump: 2.19715 Ang A10.CB and A10.C self-bump: 1.29493 Ang A10.CA and A10.CB T0187 134 :TSESVKRAILQE 1xxaA 140 :TVKDLYEAILEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.69786 Ang A9.O and E13.CB other bump:2.59684 Ang R8.O and Q12.CB Number of specific fragments= 3 total=998 Number of alignments=227 # Reading fragments from alignment file # T0187 read from 1xxaA-T0187-local-adpstyle1.pw.a2m.gz # 1xxaA read from 1xxaA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1xxaA in template set T0187 16 :ELVDQLNENDTVLFLLSGGG 1xxaA 110 :RLLDSLGKAEGILGTIAGDD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.03562 Ang D5.OD1 and L16.CD2 other bump:2.13024 Ang V4.CB and L16.CD1 other bump:1.92976 Ang V4.CG1 and L16.CD1 other bump:3.09071 Ang V4.CG1 and L16.CG neighbor-bump: 1.14773 Ang D11.O and T12.OG1 neighbor-bump: 2.01916 Ang D11.C and T12.OG1 neighbor-bump: 2.28124 Ang D11.O and T12.CB neighbor-bump: 2.55378 Ang D11.C and T12.CB other bump:2.62207 Ang L7.CD1 and D11.OD2 self-bump: 1.38345 Ang N10.CA and N10.CB neighbor-bump: 2.18648 Ang N8.OD1 and E9.N neighbor-bump: 2.62684 Ang L7.C and N8.CB Number of specific fragments= 1 total=999 Number of alignments=228 # Reading fragments from alignment file # T0187 read from 1xxaA-T0187-local-adpstyle5.pw.a2m.gz # 1xxaA read from 1xxaA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1xxaA in template set T0187 15 :LELVDQLNENDTVLFLLSGGGSSL 1xxaA 109 :ARLLDSLGKAEGILGTIAGDDTIF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.68112 Ang L2.CG and S24.OG other bump:2.32115 Ang L2.CD2 and S24.OG other bump:2.56165 Ang L2.CD2 and S24.CB other bump:1.79386 Ang L2.CD1 and S19.OG other bump:2.49595 Ang L2.CG and S19.CB other bump:1.00255 Ang L2.CD1 and S19.CB other bump:2.35723 Ang L2.CD1 and S19.CA other bump:2.03562 Ang D6.OD1 and L17.CD2 other bump:2.13024 Ang V5.CB and L17.CD1 other bump:1.92976 Ang V5.CG1 and L17.CD1 other bump:3.09071 Ang V5.CG1 and L17.CG neighbor-bump: 1.14773 Ang D12.O and T13.OG1 neighbor-bump: 2.01916 Ang D12.C and T13.OG1 neighbor-bump: 2.28124 Ang D12.O and T13.CB neighbor-bump: 2.55378 Ang D12.C and T13.CB other bump:2.62207 Ang L8.CD1 and D12.OD2 self-bump: 1.38345 Ang N11.CA and N11.CB neighbor-bump: 2.18648 Ang N9.OD1 and E10.N neighbor-bump: 2.62684 Ang L8.C and N9.CB Number of specific fragments= 1 total=1000 Number of alignments=229 # Reading fragments from alignment file # T0187 read from 1xxaA-T0187-vit-adpstyle1.pw.a2m.gz # 1xxaA read from 1xxaA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1xxaA in template set T0187 16 :ELVDQLNENDTVLFLLSGGG 1xxaA 110 :RLLDSLGKAEGILGTIAGDD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.03562 Ang D5.OD1 and L16.CD2 other bump:2.13024 Ang V4.CB and L16.CD1 other bump:1.92976 Ang V4.CG1 and L16.CD1 other bump:3.09071 Ang V4.CG1 and L16.CG neighbor-bump: 1.14773 Ang D11.O and T12.OG1 neighbor-bump: 2.01916 Ang D11.C and T12.OG1 neighbor-bump: 2.28124 Ang D11.O and T12.CB neighbor-bump: 2.55378 Ang D11.C and T12.CB other bump:2.62207 Ang L7.CD1 and D11.OD2 self-bump: 1.38345 Ang N10.CA and N10.CB neighbor-bump: 2.18648 Ang N8.OD1 and E9.N neighbor-bump: 2.62684 Ang L7.C and N8.CB Number of specific fragments= 1 total=1001 Number of alignments=230 # Reading fragments from alignment file # T0187 read from 1xxaA-T0187-vit-adpstyle5.pw.a2m.gz # 1xxaA read from 1xxaA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1xxaA in template set T0187 15 :LELVDQLNENDTVLFLLSGGGSSL 1xxaA 109 :ARLLDSLGKAEGILGTIAGDDTIF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.68112 Ang L2.CG and S24.OG other bump:2.32115 Ang L2.CD2 and S24.OG other bump:2.56165 Ang L2.CD2 and S24.CB other bump:1.79386 Ang L2.CD1 and S19.OG other bump:2.49595 Ang L2.CG and S19.CB other bump:1.00255 Ang L2.CD1 and S19.CB other bump:2.35723 Ang L2.CD1 and S19.CA other bump:2.03562 Ang D6.OD1 and L17.CD2 other bump:2.13024 Ang V5.CB and L17.CD1 other bump:1.92976 Ang V5.CG1 and L17.CD1 other bump:3.09071 Ang V5.CG1 and L17.CG neighbor-bump: 1.14773 Ang D12.O and T13.OG1 neighbor-bump: 2.01916 Ang D12.C and T13.OG1 neighbor-bump: 2.28124 Ang D12.O and T13.CB neighbor-bump: 2.55378 Ang D12.C and T13.CB other bump:2.62207 Ang L8.CD1 and D12.OD2 self-bump: 1.38345 Ang N11.CA and N11.CB neighbor-bump: 2.18648 Ang N9.OD1 and E10.N neighbor-bump: 2.62684 Ang L8.C and N9.CB Number of specific fragments= 1 total=1002 Number of alignments=231 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1xxaA read from T0187-1xxaA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1xxaA in template set T0187 5 :EN 1xxaA 83 :KN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSG 1xxaA 101 :SPGAAQLIARLLDSLGKAEGILGTIAG Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.76786 Ang R7.NH1 and G28.C other bump:2.22935 Ang R7.NH1 and G28.O other bump:2.63469 Ang R7.NH1 and G28.CA other bump:2.42045 Ang R7.NH1 and G28.N other bump:3.03842 Ang R7.CZ and S27.C other bump:1.97476 Ang R7.NH1 and S27.C other bump:2.28233 Ang R7.CZ and S27.O other bump:1.6969 Ang R7.NH1 and S27.O other bump:1.79385 Ang L10.CD1 and S27.OG other bump:2.49024 Ang R7.CD and S27.OG other bump:1.00254 Ang L10.CD1 and S27.CB other bump:2.49594 Ang L10.CG and S27.CB other bump:2.35723 Ang L10.CD1 and S27.CA other bump:2.03562 Ang D14.OD1 and L25.CD2 other bump:1.92976 Ang V13.CG1 and L25.CD1 other bump:2.13024 Ang V13.CB and L25.CD1 other bump:3.09071 Ang V13.CG1 and L25.CG neighbor-bump: 1.14773 Ang D20.O and T21.OG1 neighbor-bump: 2.01916 Ang D20.C and T21.OG1 neighbor-bump: 2.28124 Ang D20.O and T21.CB neighbor-bump: 2.55378 Ang D20.C and T21.CB other bump:2.62207 Ang L16.CD1 and D20.OD2 self-bump: 1.38345 Ang N19.CA and N19.CB neighbor-bump: 2.18648 Ang N17.OD1 and E18.N neighbor-bump: 2.62684 Ang L16.C and N17.CB other bump:2.53446 Ang T6.O and L10.CG other bump:2.1864 Ang T2.OG1 and T5.OG1 other bump:2.59064 Ang T2.OG1 and T5.CB neighbor-bump: 2.695 Ang I3.C and K4.CB neighbor-bump: 2.18885 Ang I3.CG2 and K4.N self-bump: 2.42808 Ang I3.CG2 and I3.C self-bump: 1.36715 Ang I3.CA and I3.CB T0187 35 :GSSLFELPLEGVSLEEIQKLTSAL 1xxaA 128 :DDTIFTTPANGFTVKDLYEAILEL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.26194 Ang P9.N and I18.CD1 other bump:2.32079 Ang P9.CG and I18.CD1 other bump:2.46074 Ang P9.CD and I18.CD1 other bump:1.76323 Ang P9.CA and I18.CD1 other bump:1.26447 Ang P9.CB and I18.CD1 other bump:3.02954 Ang P9.CA and I18.CG1 other bump:2.52193 Ang P9.CB and I18.CG1 other bump:2.71223 Ang P9.CB and V13.CG1 other bump:2.8856 Ang L10.N and V13.CG1 Number of specific fragments= 3 total=1005 Number of alignments=232 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1xxaA read from T0187-1xxaA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1xxaA in template set T0187 5 :EN 1xxaA 83 :KN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 22 :NENDTVLFLLSGGGSS 1xxaA 90 :DYNDAVVVIHTSPGAA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:1.91842 Ang F9.CE2 and L11.CD2 other bump:1.37436 Ang F9.CZ and L11.CD2 other bump:2.11858 Ang F9.CE2 and L11.CG neighbor-bump: 2.54984 Ang E3.CG and N4.N T0187 53 :KLTSALLKS 1xxaA 106 :QLIARLLDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 75 :LSQVKG 1xxaA 115 :LGKAEG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.26677 Ang L2.CD1 and K6.NZ neighbor-bump: 2.52832 Ang L2.C and S3.OG neighbor-bump: 1.71114 Ang L2.O and S3.OG neighbor-bump: 2.692 Ang L2.C and S3.CB T0187 96 :VLSDVLGDRLDVI 1xxaA 121 :ILGTIAGDDTIFT Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.8799 Ang D5.OD1 and I14.C other bump:2.69401 Ang D5.CB and I14.CD1 other bump:1.47764 Ang D5.CG and I14.CD1 other bump:2.23134 Ang D5.OD1 and I14.CD1 other bump:0.645902 Ang D5.OD2 and I14.CD1 other bump:2.32081 Ang D5.CG and I14.CG1 other bump:2.37802 Ang D5.OD1 and I14.CG1 other bump:1.70156 Ang D5.OD2 and I14.CG1 other bump:2.45913 Ang D5.CG and I14.CB other bump:1.86124 Ang D5.OD1 and I14.CB other bump:2.53443 Ang D5.OD2 and I14.CB other bump:2.71454 Ang D5.CG and I14.CA other bump:1.52953 Ang D5.OD1 and I14.CA other bump:2.69654 Ang D5.OD1 and V13.C other bump:2.30377 Ang D5.OD1 and V13.O other bump:2.22175 Ang L7.CD2 and D12.OD1 other bump:2.64674 Ang L7.CD2 and D12.CG other bump:2.76233 Ang L7.CD2 and D12.CB neighbor-bump: 2.65118 Ang R10.O and L11.CD1 T0187 113 :AWPDSSTSEDALKVLEKY 1xxaA 134 :TPANGFTVKDLYEAILEL Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.38695 Ang L16.CD2 and Y19.OH other bump:2.95767 Ang L16.CG and Y19.CZ other bump:1.90808 Ang L16.CD2 and Y19.CZ other bump:2.76113 Ang L16.CA and Y19.CZ other bump:2.22762 Ang L16.CB and Y19.CE2 other bump:2.59884 Ang L16.CG and Y19.CE2 other bump:2.25792 Ang L16.CD2 and Y19.CE2 other bump:2.78672 Ang L16.O and Y19.CE2 other bump:2.54509 Ang L16.N and Y19.CE2 other bump:1.4835 Ang L16.CA and Y19.CE2 other bump:2.52604 Ang L16.C and Y19.CE2 other bump:2.24679 Ang V15.O and Y19.CD2 other bump:2.60507 Ang V15.C and Y19.CD2 other bump:2.50751 Ang L16.N and Y19.CD2 other bump:1.89659 Ang L16.CA and Y19.CD2 other bump:2.46822 Ang L16.C and Y19.CD2 other bump:2.66943 Ang W3.CD2 and S7.C other bump:2.41185 Ang W3.CE3 and S7.C other bump:2.89287 Ang W3.CZ3 and S7.C other bump:2.568 Ang W3.CZ2 and S7.O other bump:1.71109 Ang W3.CD2 and S7.O other bump:2.21818 Ang W3.CE2 and S7.O other bump:1.51998 Ang W3.CE3 and S7.O other bump:1.92708 Ang W3.CZ3 and S7.O other bump:2.42281 Ang W3.CH2 and S7.O other bump:2.77726 Ang W3.CE3 and S7.OG other bump:2.90229 Ang W3.CE3 and S7.CA other bump:2.68485 Ang W3.CE3 and S7.N other bump:2.67017 Ang W3.CZ3 and S7.N other bump:2.85877 Ang W3.CZ3 and S6.C other bump:3.20916 Ang W3.CZ3 and S6.CA other bump:2.64542 Ang W3.CZ3 and S6.N other bump:3.18376 Ang W3.CZ3 and D5.C neighbor-bump: 3.28383 Ang W3.CE3 and P4.C neighbor-bump: 2.06526 Ang W3.CE3 and P4.O neighbor-bump: 2.66814 Ang W3.CZ3 and P4.O Number of specific fragments= 6 total=1011 Number of alignments=233 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1xxaA read from T0187-1xxaA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1xxaA in template set T0187 10 :TTRRVLELVDQLNENDTVLFLLSG 1xxaA 104 :AAQLIARLLDSLGKAEGILGTIAG Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.76786 Ang R4.NH1 and G25.C other bump:2.22935 Ang R4.NH1 and G25.O other bump:2.63469 Ang R4.NH1 and G25.CA other bump:2.42045 Ang R4.NH1 and G25.N other bump:3.03842 Ang R4.CZ and S24.C other bump:1.97476 Ang R4.NH1 and S24.C other bump:2.28233 Ang R4.CZ and S24.O other bump:1.6969 Ang R4.NH1 and S24.O other bump:1.79385 Ang L7.CD1 and S24.OG other bump:2.49024 Ang R4.CD and S24.OG other bump:2.49594 Ang L7.CG and S24.CB other bump:1.00254 Ang L7.CD1 and S24.CB other bump:2.35723 Ang L7.CD1 and S24.CA other bump:2.03562 Ang D11.OD1 and L22.CD2 other bump:2.13024 Ang V10.CB and L22.CD1 other bump:1.92976 Ang V10.CG1 and L22.CD1 other bump:3.09071 Ang V10.CG1 and L22.CG neighbor-bump: 1.14773 Ang D17.O and T18.OG1 neighbor-bump: 2.01916 Ang D17.C and T18.OG1 neighbor-bump: 2.28124 Ang D17.O and T18.CB neighbor-bump: 2.55378 Ang D17.C and T18.CB other bump:2.62207 Ang L13.CD1 and D17.OD2 self-bump: 1.38345 Ang N16.CA and N16.CB neighbor-bump: 2.18648 Ang N14.OD1 and E15.N neighbor-bump: 2.62684 Ang L13.C and N14.CB other bump:2.53446 Ang T3.O and L7.CG T0187 35 :GSSLFELPLEGVSLEEIQKLT 1xxaA 128 :DDTIFTTPANGFTVKDLYEAI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.26194 Ang P9.N and I18.CD1 other bump:2.46074 Ang P9.CD and I18.CD1 other bump:1.76323 Ang P9.CA and I18.CD1 other bump:1.26447 Ang P9.CB and I18.CD1 other bump:2.32079 Ang P9.CG and I18.CD1 other bump:3.02954 Ang P9.CA and I18.CG1 other bump:2.52193 Ang P9.CB and I18.CG1 other bump:2.71223 Ang P9.CB and V13.CG1 other bump:2.8856 Ang L10.N and V13.CG1 Number of specific fragments= 2 total=1013 Number of alignments=234 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1xxaA read from T0187-1xxaA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1xxaA in template set T0187 10 :TTRRVLELVDQLNENDTVLFLLSGG 1xxaA 104 :AAQLIARLLDSLGKAEGILGTIAGD Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.5347 Ang T3.CG2 and G27.CA other bump:2.87569 Ang T3.CG2 and G27.N other bump:3.20636 Ang T3.CG2 and G26.C other bump:2.83283 Ang T3.OG1 and G26.C other bump:2.76786 Ang R4.NH1 and G25.C other bump:2.22935 Ang R4.NH1 and G25.O other bump:2.63469 Ang R4.NH1 and G25.CA other bump:2.42045 Ang R4.NH1 and G25.N other bump:3.03842 Ang R4.CZ and S24.C other bump:1.97476 Ang R4.NH1 and S24.C other bump:2.28233 Ang R4.CZ and S24.O other bump:1.6969 Ang R4.NH1 and S24.O other bump:1.79385 Ang L7.CD1 and S24.OG other bump:2.49024 Ang R4.CD and S24.OG other bump:2.49594 Ang L7.CG and S24.CB other bump:1.00254 Ang L7.CD1 and S24.CB other bump:2.35723 Ang L7.CD1 and S24.CA other bump:2.03562 Ang D11.OD1 and L22.CD2 other bump:2.13024 Ang V10.CB and L22.CD1 other bump:1.92976 Ang V10.CG1 and L22.CD1 other bump:3.09071 Ang V10.CG1 and L22.CG neighbor-bump: 1.14773 Ang D17.O and T18.OG1 neighbor-bump: 2.01916 Ang D17.C and T18.OG1 neighbor-bump: 2.28124 Ang D17.O and T18.CB neighbor-bump: 2.55378 Ang D17.C and T18.CB other bump:2.62207 Ang L13.CD1 and D17.OD2 self-bump: 1.38345 Ang N16.CA and N16.CB neighbor-bump: 2.18648 Ang N14.OD1 and E15.N neighbor-bump: 2.62684 Ang L13.C and N14.CB other bump:2.53446 Ang T3.O and L7.CG T0187 36 :SSLFELPLEGVSLEEIQKLT 1xxaA 129 :DTIFTTPANGFTVKDLYEAI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.46074 Ang P8.CD and I17.CD1 other bump:2.26194 Ang P8.N and I17.CD1 other bump:1.26447 Ang P8.CB and I17.CD1 other bump:2.32079 Ang P8.CG and I17.CD1 other bump:1.76323 Ang P8.CA and I17.CD1 other bump:2.52193 Ang P8.CB and I17.CG1 other bump:3.02954 Ang P8.CA and I17.CG1 other bump:2.71223 Ang P8.CB and V12.CG1 other bump:2.8856 Ang L9.N and V12.CG1 Number of specific fragments= 2 total=1015 Number of alignments=235 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1xxaA read from T0187-1xxaA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1xxaA in template set T0187 5 :EN 1xxaA 83 :KN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLS 1xxaA 101 :SPGAAQLIARLLDSLGKAEGILGTIA Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.63469 Ang R7.NH1 and G28.CA other bump:2.42045 Ang R7.NH1 and G28.N other bump:3.03842 Ang R7.CZ and S27.C other bump:1.97476 Ang R7.NH1 and S27.C other bump:2.28233 Ang R7.CZ and S27.O other bump:1.6969 Ang R7.NH1 and S27.O other bump:0.955026 Ang L10.CD1 and S27.OG other bump:2.17422 Ang L10.CB and S27.OG other bump:1.79856 Ang L10.CG and S27.OG other bump:1.18023 Ang L10.CD1 and S27.CB other bump:2.68342 Ang L10.CG and S27.CB other bump:2.35723 Ang L10.CD1 and S27.CA other bump:2.03562 Ang D14.OD1 and L25.CD2 other bump:1.92976 Ang V13.CG1 and L25.CD1 other bump:2.13024 Ang V13.CB and L25.CD1 other bump:3.09071 Ang V13.CG1 and L25.CG neighbor-bump: 1.14773 Ang D20.O and T21.OG1 neighbor-bump: 2.01916 Ang D20.C and T21.OG1 neighbor-bump: 2.28124 Ang D20.O and T21.CB neighbor-bump: 2.55378 Ang D20.C and T21.CB other bump:2.62207 Ang L16.CD1 and D20.OD2 self-bump: 1.38345 Ang N19.CA and N19.CB neighbor-bump: 2.18648 Ang N17.OD1 and E18.N neighbor-bump: 2.62684 Ang L16.C and N17.CB other bump:2.53446 Ang T6.O and L10.CG other bump:2.1864 Ang T2.OG1 and T5.OG1 other bump:2.59064 Ang T2.OG1 and T5.CB neighbor-bump: 2.695 Ang I3.C and K4.CB neighbor-bump: 2.18885 Ang I3.CG2 and K4.N self-bump: 2.42808 Ang I3.CG2 and I3.C self-bump: 1.36715 Ang I3.CA and I3.CB T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxaA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.26194 Ang P10.N and I19.CD1 other bump:2.32079 Ang P10.CG and I19.CD1 other bump:2.46074 Ang P10.CD and I19.CD1 other bump:1.76323 Ang P10.CA and I19.CD1 other bump:1.26447 Ang P10.CB and I19.CD1 other bump:3.02954 Ang P10.CA and I19.CG1 other bump:2.52193 Ang P10.CB and I19.CG1 other bump:2.71223 Ang P10.CB and V14.CG1 other bump:2.8856 Ang L11.N and V14.CG1 Number of specific fragments= 3 total=1018 Number of alignments=236 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1xxaA read from T0187-1xxaA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1xxaA in template set T0187 5 :EN 1xxaA 83 :KN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 23 :ENDTVLFLLSGGGS 1xxaA 91 :YNDAVVVIHTSPGA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:1.91842 Ang F8.CE2 and L10.CD2 other bump:1.37436 Ang F8.CZ and L10.CD2 other bump:2.11858 Ang F8.CE2 and L10.CG neighbor-bump: 2.54985 Ang E2.CG and N3.N T0187 51 :IQKLTSAL 1xxaA 105 :AQLIARLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 85 :ERVFPA 1xxaA 113 :DSLGKA Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.18103 Ang F5.CZ and P6.CD neighbor-bump: 2.00234 Ang F5.CE2 and P6.CD neighbor-bump: 1.62625 Ang F5.CZ and P6.CG neighbor-bump: 2.47519 Ang F5.CD2 and P6.CG neighbor-bump: 1.49367 Ang F5.CE2 and P6.CG neighbor-bump: 2.6089 Ang F5.CD2 and P6.CB neighbor-bump: 2.27817 Ang F5.CE2 and P6.CB neighbor-bump: 3.23802 Ang F5.CG and P6.CA neighbor-bump: 2.87339 Ang F5.CD2 and P6.CA neighbor-bump: 3.12768 Ang F5.CE2 and P6.CA neighbor-bump: 2.47966 Ang F5.CB and P6.N neighbor-bump: 2.12166 Ang F5.CG and P6.N neighbor-bump: 2.15059 Ang F5.CD2 and P6.N neighbor-bump: 3.00101 Ang F5.CE2 and P6.N self-bump: 2.54977 Ang F5.CG and F5.C self-bump: 1.3249 Ang F5.CA and F5.CB T0187 91 :K 1xxaA 120 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 96 :VLSDVLGDRLDV 1xxaA 121 :ILGTIAGDDTIF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:1.52953 Ang D5.OD1 and G14.CA other bump:2.71454 Ang D5.CG and G14.CA other bump:2.69654 Ang D5.OD1 and V13.C other bump:2.30377 Ang D5.OD1 and V13.O other bump:2.22175 Ang L7.CD2 and D12.OD1 other bump:2.64674 Ang L7.CD2 and D12.CG other bump:2.76233 Ang L7.CD2 and D12.CB neighbor-bump: 2.65118 Ang R10.O and L11.CD1 T0187 110 :S 1xxaA 133 :T Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 113 :AWPDSSTSEDALKVLEKY 1xxaA 134 :TPANGFTVKDLYEAILEL Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.38695 Ang L16.CD2 and Y19.OH other bump:2.95767 Ang L16.CG and Y19.CZ other bump:1.90808 Ang L16.CD2 and Y19.CZ other bump:2.76113 Ang L16.CA and Y19.CZ other bump:2.22762 Ang L16.CB and Y19.CE2 other bump:2.59884 Ang L16.CG and Y19.CE2 other bump:2.25792 Ang L16.CD2 and Y19.CE2 other bump:2.78672 Ang L16.O and Y19.CE2 other bump:2.54509 Ang L16.N and Y19.CE2 other bump:1.4835 Ang L16.CA and Y19.CE2 other bump:2.52604 Ang L16.C and Y19.CE2 other bump:2.24679 Ang V15.O and Y19.CD2 other bump:2.60507 Ang V15.C and Y19.CD2 other bump:2.50751 Ang L16.N and Y19.CD2 other bump:1.89659 Ang L16.CA and Y19.CD2 other bump:2.46822 Ang L16.C and Y19.CD2 other bump:2.66943 Ang W3.CD2 and S7.C other bump:2.41185 Ang W3.CE3 and S7.C other bump:2.89287 Ang W3.CZ3 and S7.C other bump:2.568 Ang W3.CZ2 and S7.O other bump:1.71109 Ang W3.CD2 and S7.O other bump:2.21818 Ang W3.CE2 and S7.O other bump:1.51998 Ang W3.CE3 and S7.O other bump:1.92708 Ang W3.CZ3 and S7.O other bump:2.42281 Ang W3.CH2 and S7.O other bump:2.77726 Ang W3.CE3 and S7.OG other bump:2.90229 Ang W3.CE3 and S7.CA other bump:2.68485 Ang W3.CE3 and S7.N other bump:2.67017 Ang W3.CZ3 and S7.N other bump:2.85877 Ang W3.CZ3 and S6.C other bump:3.20916 Ang W3.CZ3 and S6.CA other bump:2.64542 Ang W3.CZ3 and S6.N other bump:3.18376 Ang W3.CZ3 and D5.C neighbor-bump: 3.28383 Ang W3.CE3 and P4.C neighbor-bump: 2.06526 Ang W3.CE3 and P4.O neighbor-bump: 2.66814 Ang W3.CZ3 and P4.O Number of specific fragments= 8 total=1026 Number of alignments=237 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1xxaA read from T0187-1xxaA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1xxaA in template set T0187 10 :TTRRVLELVDQLNENDTVLFLLS 1xxaA 104 :AAQLIARLLDSLGKAEGILGTIA Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.63469 Ang R4.NH1 and G25.CA other bump:2.42045 Ang R4.NH1 and G25.N other bump:3.03842 Ang R4.CZ and S24.C other bump:1.97476 Ang R4.NH1 and S24.C other bump:2.28233 Ang R4.CZ and S24.O other bump:1.6969 Ang R4.NH1 and S24.O other bump:1.79856 Ang L7.CG and S24.OG other bump:0.955026 Ang L7.CD1 and S24.OG other bump:2.17422 Ang L7.CB and S24.OG other bump:2.68342 Ang L7.CG and S24.CB other bump:1.18023 Ang L7.CD1 and S24.CB other bump:2.35723 Ang L7.CD1 and S24.CA other bump:2.03562 Ang D11.OD1 and L22.CD2 other bump:2.13024 Ang V10.CB and L22.CD1 other bump:1.92976 Ang V10.CG1 and L22.CD1 other bump:3.09071 Ang V10.CG1 and L22.CG neighbor-bump: 1.14773 Ang D17.O and T18.OG1 neighbor-bump: 2.01916 Ang D17.C and T18.OG1 neighbor-bump: 2.28124 Ang D17.O and T18.CB neighbor-bump: 2.55378 Ang D17.C and T18.CB other bump:2.62207 Ang L13.CD1 and D17.OD2 self-bump: 1.38345 Ang N16.CA and N16.CB neighbor-bump: 2.18648 Ang N14.OD1 and E15.N neighbor-bump: 2.62684 Ang L13.C and N14.CB other bump:2.53446 Ang T3.O and L7.CG T0187 34 :GGSSLFELPLEGVSLEEIQKLT 1xxaA 127 :GDDTIFTTPANGFTVKDLYEAI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.26194 Ang P10.N and I19.CD1 other bump:2.46074 Ang P10.CD and I19.CD1 other bump:1.76323 Ang P10.CA and I19.CD1 other bump:1.26447 Ang P10.CB and I19.CD1 other bump:2.32079 Ang P10.CG and I19.CD1 other bump:3.02954 Ang P10.CA and I19.CG1 other bump:2.52193 Ang P10.CB and I19.CG1 other bump:2.71223 Ang P10.CB and V14.CG1 other bump:2.8856 Ang L11.N and V14.CG1 Number of specific fragments= 2 total=1028 Number of alignments=238 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1xxaA read from T0187-1xxaA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1xxaA in template set T0187 10 :TTRRVLELVDQLNENDTVLFLLSGG 1xxaA 104 :AAQLIARLLDSLGKAEGILGTIAGD Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.5347 Ang T3.CG2 and G27.CA other bump:2.87569 Ang T3.CG2 and G27.N other bump:3.20636 Ang T3.CG2 and G26.C other bump:2.83283 Ang T3.OG1 and G26.C other bump:2.76786 Ang R4.NH1 and G25.C other bump:2.22935 Ang R4.NH1 and G25.O other bump:2.63469 Ang R4.NH1 and G25.CA other bump:2.42045 Ang R4.NH1 and G25.N other bump:3.03842 Ang R4.CZ and S24.C other bump:1.97476 Ang R4.NH1 and S24.C other bump:2.28233 Ang R4.CZ and S24.O other bump:1.6969 Ang R4.NH1 and S24.O other bump:1.79385 Ang L7.CD1 and S24.OG other bump:2.49024 Ang R4.CD and S24.OG other bump:2.49594 Ang L7.CG and S24.CB other bump:1.00254 Ang L7.CD1 and S24.CB other bump:2.35723 Ang L7.CD1 and S24.CA other bump:2.03562 Ang D11.OD1 and L22.CD2 other bump:2.13024 Ang V10.CB and L22.CD1 other bump:1.92976 Ang V10.CG1 and L22.CD1 other bump:3.09071 Ang V10.CG1 and L22.CG neighbor-bump: 1.14773 Ang D17.O and T18.OG1 neighbor-bump: 2.01916 Ang D17.C and T18.OG1 neighbor-bump: 2.28124 Ang D17.O and T18.CB neighbor-bump: 2.55378 Ang D17.C and T18.CB other bump:2.62207 Ang L13.CD1 and D17.OD2 self-bump: 1.38345 Ang N16.CA and N16.CB neighbor-bump: 2.18648 Ang N14.OD1 and E15.N neighbor-bump: 2.62684 Ang L13.C and N14.CB other bump:2.53446 Ang T3.O and L7.CG T0187 36 :SSLFELPLEGVSLEEIQKLT 1xxaA 129 :DTIFTTPANGFTVKDLYEAI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.46074 Ang P8.CD and I17.CD1 other bump:2.26194 Ang P8.N and I17.CD1 other bump:1.26447 Ang P8.CB and I17.CD1 other bump:2.32079 Ang P8.CG and I17.CD1 other bump:1.76323 Ang P8.CA and I17.CD1 other bump:2.52193 Ang P8.CB and I17.CG1 other bump:3.02954 Ang P8.CA and I17.CG1 other bump:2.71223 Ang P8.CB and V12.CG1 other bump:2.8856 Ang L9.N and V12.CG1 Number of specific fragments= 2 total=1030 Number of alignments=239 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1xxaA read from T0187-1xxaA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1xxaA in template set T0187 5 :EN 1xxaA 83 :KN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSGGGS 1xxaA 101 :SPGAAQLIARLLDSLGKAEGILGTIAGDDT Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.81705 Ang T6.CG2 and S31.N other bump:2.73406 Ang T6.CG2 and G30.C other bump:2.5347 Ang T6.CG2 and G30.CA other bump:2.87569 Ang T6.CG2 and G30.N other bump:3.20636 Ang T6.CG2 and G29.C other bump:2.83283 Ang T6.OG1 and G29.C other bump:2.76786 Ang R7.NH1 and G28.C other bump:2.22935 Ang R7.NH1 and G28.O other bump:2.63469 Ang R7.NH1 and G28.CA other bump:2.42045 Ang R7.NH1 and G28.N other bump:3.03842 Ang R7.CZ and S27.C other bump:1.97476 Ang R7.NH1 and S27.C other bump:2.28233 Ang R7.CZ and S27.O other bump:1.6969 Ang R7.NH1 and S27.O other bump:1.79385 Ang L10.CD1 and S27.OG other bump:2.49024 Ang R7.CD and S27.OG other bump:1.00254 Ang L10.CD1 and S27.CB other bump:2.49594 Ang L10.CG and S27.CB other bump:2.35723 Ang L10.CD1 and S27.CA other bump:2.03562 Ang D14.OD1 and L25.CD2 other bump:1.92976 Ang V13.CG1 and L25.CD1 other bump:2.13024 Ang V13.CB and L25.CD1 other bump:3.09071 Ang V13.CG1 and L25.CG neighbor-bump: 1.14773 Ang D20.O and T21.OG1 neighbor-bump: 2.01916 Ang D20.C and T21.OG1 neighbor-bump: 2.28124 Ang D20.O and T21.CB neighbor-bump: 2.55378 Ang D20.C and T21.CB other bump:2.62207 Ang L16.CD1 and D20.OD2 self-bump: 1.38345 Ang N19.CA and N19.CB neighbor-bump: 2.18648 Ang N17.OD1 and E18.N neighbor-bump: 2.62684 Ang L16.C and N17.CB other bump:2.53446 Ang T6.O and L10.CG other bump:2.1864 Ang T2.OG1 and T5.OG1 other bump:2.59064 Ang T2.OG1 and T5.CB neighbor-bump: 2.695 Ang I3.C and K4.CB neighbor-bump: 2.18885 Ang I3.CG2 and K4.N self-bump: 2.42808 Ang I3.CG2 and I3.C self-bump: 1.36715 Ang I3.CA and I3.CB T0187 38 :LFELPLEGVSLEEIQKLTSAL 1xxaA 131 :IFTTPANGFTVKDLYEAILEL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.32079 Ang P6.CG and I15.CD1 other bump:2.26194 Ang P6.N and I15.CD1 other bump:1.76323 Ang P6.CA and I15.CD1 other bump:2.46074 Ang P6.CD and I15.CD1 other bump:1.26447 Ang P6.CB and I15.CD1 other bump:3.02954 Ang P6.CA and I15.CG1 other bump:2.52193 Ang P6.CB and I15.CG1 other bump:2.71223 Ang P6.CB and V10.CG1 other bump:2.8856 Ang L7.N and V10.CG1 Number of specific fragments= 3 total=1033 Number of alignments=240 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1xxaA read from T0187-1xxaA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1xxaA in template set T0187 5 :EN 1xxaA 83 :KN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 22 :NENDTVLFLLSGGGSSL 1xxaA 90 :DYNDAVVVIHTSPGAAQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.91842 Ang F9.CE2 and L11.CD2 other bump:1.37436 Ang F9.CZ and L11.CD2 other bump:2.11858 Ang F9.CE2 and L11.CG neighbor-bump: 2.54984 Ang E3.CG and N4.N T0187 54 :LTSALLK 1xxaA 107 :LIARLLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 74 :HLSQVKG 1xxaA 114 :SLGKAEG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.26677 Ang L3.CD1 and K7.NZ neighbor-bump: 2.52832 Ang L3.C and S4.OG neighbor-bump: 1.71114 Ang L3.O and S4.OG neighbor-bump: 2.692 Ang L3.C and S4.CB T0187 96 :VLSDVLGDR 1xxaA 121 :ILGTIAGDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 113 :AWPDSSTSEDALKVLEKY 1xxaA 134 :TPANGFTVKDLYEAILEL Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.38695 Ang L16.CD2 and Y19.OH other bump:2.95767 Ang L16.CG and Y19.CZ other bump:1.90808 Ang L16.CD2 and Y19.CZ other bump:2.76113 Ang L16.CA and Y19.CZ other bump:2.22762 Ang L16.CB and Y19.CE2 other bump:2.59884 Ang L16.CG and Y19.CE2 other bump:2.25792 Ang L16.CD2 and Y19.CE2 other bump:2.78672 Ang L16.O and Y19.CE2 other bump:2.54509 Ang L16.N and Y19.CE2 other bump:1.4835 Ang L16.CA and Y19.CE2 other bump:2.52604 Ang L16.C and Y19.CE2 other bump:2.24679 Ang V15.O and Y19.CD2 other bump:2.60507 Ang V15.C and Y19.CD2 other bump:2.50751 Ang L16.N and Y19.CD2 other bump:1.89659 Ang L16.CA and Y19.CD2 other bump:2.46822 Ang L16.C and Y19.CD2 other bump:2.66943 Ang W3.CD2 and S7.C other bump:2.41185 Ang W3.CE3 and S7.C other bump:2.89287 Ang W3.CZ3 and S7.C other bump:2.568 Ang W3.CZ2 and S7.O other bump:1.71109 Ang W3.CD2 and S7.O other bump:2.21818 Ang W3.CE2 and S7.O other bump:1.51998 Ang W3.CE3 and S7.O other bump:1.92708 Ang W3.CZ3 and S7.O other bump:2.42281 Ang W3.CH2 and S7.O other bump:2.77726 Ang W3.CE3 and S7.OG other bump:2.90229 Ang W3.CE3 and S7.CA other bump:2.68485 Ang W3.CE3 and S7.N other bump:2.67017 Ang W3.CZ3 and S7.N other bump:2.85877 Ang W3.CZ3 and S6.C other bump:3.20916 Ang W3.CZ3 and S6.CA other bump:2.64542 Ang W3.CZ3 and S6.N other bump:3.18376 Ang W3.CZ3 and D5.C neighbor-bump: 3.28383 Ang W3.CE3 and P4.C neighbor-bump: 2.06526 Ang W3.CE3 and P4.O neighbor-bump: 2.66814 Ang W3.CZ3 and P4.O Number of specific fragments= 6 total=1039 Number of alignments=241 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1xxaA read from T0187-1xxaA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1xxaA in template set T0187 19 :DQL 1xxaA 83 :KNL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 22 :NEND 1xxaA 92 :NDAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 40 :ELPLE 1xxaA 100 :TSPGA Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.33368 Ang E2.CD and G7.CA other bump:1.46492 Ang E2.OE1 and G7.CA other bump:2.71033 Ang E2.OE2 and G7.CA other bump:3.10851 Ang E2.CD and G7.N other bump:2.30425 Ang E2.OE1 and G7.N other bump:2.07827 Ang L3.O and E6.OE2 other bump:1.98917 Ang L3.C and E6.OE2 other bump:1.3953 Ang L3.CA and E6.OE2 other bump:2.13955 Ang L3.CB and E6.OE2 other bump:1.88098 Ang E2.C and E6.OE2 other bump:0.78306 Ang L3.N and E6.OE2 other bump:1.78265 Ang L3.O and E6.OE1 other bump:1.94645 Ang L3.C and E6.OE1 other bump:2.56296 Ang L3.CA and E6.OE1 other bump:2.44676 Ang L3.CB and E6.OE1 other bump:1.85014 Ang L3.O and E6.CD other bump:2.15339 Ang L3.C and E6.CD other bump:2.2127 Ang L3.CA and E6.CD other bump:2.36849 Ang L3.CB and E6.CD other bump:2.95308 Ang E2.C and E6.CD other bump:2.02195 Ang L3.N and E6.CD other bump:2.89774 Ang L3.N and E6.CG other bump:3.13788 Ang E2.CB and E6.CG neighbor-bump: 2.68355 Ang P4.C and L5.CB T0187 52 :QKLTSALLKS 1xxaA 105 :AQLIARLLDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 75 :LSQVKG 1xxaA 115 :LGKAEG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.26677 Ang L2.CD1 and K6.NZ neighbor-bump: 2.52832 Ang L2.C and S3.OG neighbor-bump: 1.71114 Ang L2.O and S3.OG neighbor-bump: 2.692 Ang L2.C and S3.CB T0187 102 :GDR 1xxaA 127 :GDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 115 :PDSSTSEDALKVL 1xxaA 136 :ANGFTVKDLYEAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 129 :KYG 1xxaA 149 :LEL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 1.37517 Ang K2.CA and K2.CB Number of specific fragments= 8 total=1047 Number of alignments=242 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1xxaA read from T0187-1xxaA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1xxaA in template set T0187 19 :DQL 1xxaA 83 :KNL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 22 :NEND 1xxaA 92 :NDAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 40 :ELPLE 1xxaA 100 :TSPGA Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.33368 Ang E2.CD and G7.CA other bump:1.46492 Ang E2.OE1 and G7.CA other bump:2.71033 Ang E2.OE2 and G7.CA other bump:3.10851 Ang E2.CD and G7.N other bump:2.30425 Ang E2.OE1 and G7.N other bump:2.07827 Ang L3.O and E6.OE2 other bump:1.98917 Ang L3.C and E6.OE2 other bump:1.3953 Ang L3.CA and E6.OE2 other bump:2.13955 Ang L3.CB and E6.OE2 other bump:1.88098 Ang E2.C and E6.OE2 other bump:0.78306 Ang L3.N and E6.OE2 other bump:1.78265 Ang L3.O and E6.OE1 other bump:1.94645 Ang L3.C and E6.OE1 other bump:2.56296 Ang L3.CA and E6.OE1 other bump:2.44676 Ang L3.CB and E6.OE1 other bump:1.85014 Ang L3.O and E6.CD other bump:2.15339 Ang L3.C and E6.CD other bump:2.2127 Ang L3.CA and E6.CD other bump:2.36849 Ang L3.CB and E6.CD other bump:2.95308 Ang E2.C and E6.CD other bump:2.02195 Ang L3.N and E6.CD other bump:2.89774 Ang L3.N and E6.CG other bump:3.13788 Ang E2.CB and E6.CG neighbor-bump: 2.68355 Ang P4.C and L5.CB T0187 52 :QKLTSALLKS 1xxaA 105 :AQLIARLLDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 75 :LSQVKG 1xxaA 115 :LGKAEG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.26677 Ang L2.CD1 and K6.NZ neighbor-bump: 2.52832 Ang L2.C and S3.OG neighbor-bump: 1.71114 Ang L2.O and S3.OG neighbor-bump: 2.692 Ang L2.C and S3.CB T0187 102 :GDR 1xxaA 127 :GDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 115 :PDSSTSEDALKVLE 1xxaA 136 :ANGFTVKDLYEAIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 130 :YG 1xxaA 150 :EL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 8 total=1055 Number of alignments=243 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1xxaA read from T0187-1xxaA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1xxaA in template set T0187 34 :GGSSLFELPLEGVSLEEIQKLT 1xxaA 127 :GDDTIFTTPANGFTVKDLYEAI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.26194 Ang P10.N and I19.CD1 other bump:2.46074 Ang P10.CD and I19.CD1 other bump:1.76323 Ang P10.CA and I19.CD1 other bump:1.26447 Ang P10.CB and I19.CD1 other bump:2.32079 Ang P10.CG and I19.CD1 other bump:3.02954 Ang P10.CA and I19.CG1 other bump:2.52193 Ang P10.CB and I19.CG1 other bump:2.71223 Ang P10.CB and V14.CG1 other bump:2.8856 Ang L11.N and V14.CG1 Number of specific fragments= 1 total=1056 Number of alignments=244 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1xxaA read from T0187-1xxaA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1xxaA in template set T0187 10 :TTRRVLELVDQLNENDTVLFLLSG 1xxaA 104 :AAQLIARLLDSLGKAEGILGTIAG Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.76786 Ang R4.NH1 and G25.C other bump:2.22935 Ang R4.NH1 and G25.O other bump:2.63469 Ang R4.NH1 and G25.CA other bump:2.42045 Ang R4.NH1 and G25.N other bump:3.03842 Ang R4.CZ and S24.C other bump:1.97476 Ang R4.NH1 and S24.C other bump:2.28233 Ang R4.CZ and S24.O other bump:1.6969 Ang R4.NH1 and S24.O other bump:1.79385 Ang L7.CD1 and S24.OG other bump:2.49024 Ang R4.CD and S24.OG other bump:2.49594 Ang L7.CG and S24.CB other bump:1.00254 Ang L7.CD1 and S24.CB other bump:2.35723 Ang L7.CD1 and S24.CA other bump:2.03562 Ang D11.OD1 and L22.CD2 other bump:2.13024 Ang V10.CB and L22.CD1 other bump:1.92976 Ang V10.CG1 and L22.CD1 other bump:3.09071 Ang V10.CG1 and L22.CG neighbor-bump: 1.14773 Ang D17.O and T18.OG1 neighbor-bump: 2.01916 Ang D17.C and T18.OG1 neighbor-bump: 2.28124 Ang D17.O and T18.CB neighbor-bump: 2.55378 Ang D17.C and T18.CB other bump:2.62207 Ang L13.CD1 and D17.OD2 self-bump: 1.38345 Ang N16.CA and N16.CB neighbor-bump: 2.18648 Ang N14.OD1 and E15.N neighbor-bump: 2.62684 Ang L13.C and N14.CB other bump:2.53446 Ang T3.O and L7.CG T0187 35 :GSSLFELPLEGVSLEEIQKLTS 1xxaA 128 :DDTIFTTPANGFTVKDLYEAIL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.26194 Ang P9.N and I18.CD1 other bump:2.46074 Ang P9.CD and I18.CD1 other bump:1.76323 Ang P9.CA and I18.CD1 other bump:1.26447 Ang P9.CB and I18.CD1 other bump:2.32079 Ang P9.CG and I18.CD1 other bump:3.02954 Ang P9.CA and I18.CG1 other bump:2.52193 Ang P9.CB and I18.CG1 other bump:2.71223 Ang P9.CB and V13.CG1 other bump:2.8856 Ang L10.N and V13.CG1 Number of specific fragments= 2 total=1058 Number of alignments=245 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1xxaA read from T0187-1xxaA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1xxaA in template set T0187 34 :GGSSLFELPLEGVSLEEIQKLT 1xxaA 127 :GDDTIFTTPANGFTVKDLYEAI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.26194 Ang P10.N and I19.CD1 other bump:2.46074 Ang P10.CD and I19.CD1 other bump:1.76323 Ang P10.CA and I19.CD1 other bump:1.26447 Ang P10.CB and I19.CD1 other bump:2.32079 Ang P10.CG and I19.CD1 other bump:3.02954 Ang P10.CA and I19.CG1 other bump:2.52193 Ang P10.CB and I19.CG1 other bump:2.71223 Ang P10.CB and V14.CG1 other bump:2.8856 Ang L11.N and V14.CG1 Number of specific fragments= 1 total=1059 Number of alignments=246 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1xxaA read from T0187-1xxaA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1xxaA in template set T0187 10 :TTRRVLELVDQLNENDTVLFLLSG 1xxaA 104 :AAQLIARLLDSLGKAEGILGTIAG Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.76786 Ang R4.NH1 and G25.C other bump:2.22935 Ang R4.NH1 and G25.O other bump:2.63469 Ang R4.NH1 and G25.CA other bump:2.42045 Ang R4.NH1 and G25.N other bump:3.03842 Ang R4.CZ and S24.C other bump:1.97476 Ang R4.NH1 and S24.C other bump:2.28233 Ang R4.CZ and S24.O other bump:1.6969 Ang R4.NH1 and S24.O other bump:1.79385 Ang L7.CD1 and S24.OG other bump:2.49024 Ang R4.CD and S24.OG other bump:2.49594 Ang L7.CG and S24.CB other bump:1.00254 Ang L7.CD1 and S24.CB other bump:2.35723 Ang L7.CD1 and S24.CA other bump:2.03562 Ang D11.OD1 and L22.CD2 other bump:2.13024 Ang V10.CB and L22.CD1 other bump:1.92976 Ang V10.CG1 and L22.CD1 other bump:3.09071 Ang V10.CG1 and L22.CG neighbor-bump: 1.14773 Ang D17.O and T18.OG1 neighbor-bump: 2.01916 Ang D17.C and T18.OG1 neighbor-bump: 2.28124 Ang D17.O and T18.CB neighbor-bump: 2.55378 Ang D17.C and T18.CB other bump:2.62207 Ang L13.CD1 and D17.OD2 self-bump: 1.38345 Ang N16.CA and N16.CB neighbor-bump: 2.18648 Ang N14.OD1 and E15.N neighbor-bump: 2.62684 Ang L13.C and N14.CB other bump:2.53446 Ang T3.O and L7.CG T0187 35 :GSSLFELPLEGVSLEEIQKLTS 1xxaA 128 :DDTIFTTPANGFTVKDLYEAIL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.26194 Ang P9.N and I18.CD1 other bump:2.46074 Ang P9.CD and I18.CD1 other bump:1.76323 Ang P9.CA and I18.CD1 other bump:1.26447 Ang P9.CB and I18.CD1 other bump:2.32079 Ang P9.CG and I18.CD1 other bump:3.02954 Ang P9.CA and I18.CG1 other bump:2.52193 Ang P9.CB and I18.CG1 other bump:2.71223 Ang P9.CB and V13.CG1 other bump:2.8856 Ang L10.N and V13.CG1 Number of specific fragments= 2 total=1061 Number of alignments=247 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-local-adpstyle1.pw.a2m.gz # 1xxaA read from T0187-1xxaA-local-adpstyle1.pw.a2m.gz # found chain 1xxaA in template set T0187 10 :TTRRVLELVDQLNENDTVLFLLS 1xxaA 104 :AAQLIARLLDSLGKAEGILGTIA Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.63469 Ang R4.NH1 and G25.CA other bump:2.42045 Ang R4.NH1 and G25.N other bump:3.03842 Ang R4.CZ and S24.C other bump:1.97476 Ang R4.NH1 and S24.C other bump:2.28233 Ang R4.CZ and S24.O other bump:1.6969 Ang R4.NH1 and S24.O other bump:1.79856 Ang L7.CG and S24.OG other bump:0.955026 Ang L7.CD1 and S24.OG other bump:2.17422 Ang L7.CB and S24.OG other bump:2.68342 Ang L7.CG and S24.CB other bump:1.18023 Ang L7.CD1 and S24.CB other bump:2.35723 Ang L7.CD1 and S24.CA other bump:2.03562 Ang D11.OD1 and L22.CD2 other bump:2.13024 Ang V10.CB and L22.CD1 other bump:1.92976 Ang V10.CG1 and L22.CD1 other bump:3.09071 Ang V10.CG1 and L22.CG neighbor-bump: 1.14773 Ang D17.O and T18.OG1 neighbor-bump: 2.01916 Ang D17.C and T18.OG1 neighbor-bump: 2.28124 Ang D17.O and T18.CB neighbor-bump: 2.55378 Ang D17.C and T18.CB other bump:2.62207 Ang L13.CD1 and D17.OD2 self-bump: 1.38345 Ang N16.CA and N16.CB neighbor-bump: 2.18648 Ang N14.OD1 and E15.N neighbor-bump: 2.62684 Ang L13.C and N14.CB other bump:2.53446 Ang T3.O and L7.CG T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxaA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.26194 Ang P10.N and I19.CD1 other bump:2.32079 Ang P10.CG and I19.CD1 other bump:2.46074 Ang P10.CD and I19.CD1 other bump:1.76323 Ang P10.CA and I19.CD1 other bump:1.26447 Ang P10.CB and I19.CD1 other bump:3.02954 Ang P10.CA and I19.CG1 other bump:2.52193 Ang P10.CB and I19.CG1 other bump:2.71223 Ang P10.CB and V14.CG1 other bump:2.8856 Ang L11.N and V14.CG1 Number of specific fragments= 2 total=1063 Number of alignments=248 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-local-adpstyle5.pw.a2m.gz # 1xxaA read from T0187-1xxaA-local-adpstyle5.pw.a2m.gz # found chain 1xxaA in template set T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSGG 1xxaA 101 :SPGAAQLIARLLDSLGKAEGILGTIAGD Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.5347 Ang T6.CG2 and G30.CA other bump:2.87569 Ang T6.CG2 and G30.N other bump:3.20636 Ang T6.CG2 and G29.C other bump:2.83283 Ang T6.OG1 and G29.C other bump:2.76786 Ang R7.NH1 and G28.C other bump:2.22935 Ang R7.NH1 and G28.O other bump:2.63469 Ang R7.NH1 and G28.CA other bump:2.42045 Ang R7.NH1 and G28.N other bump:3.03842 Ang R7.CZ and S27.C other bump:1.97476 Ang R7.NH1 and S27.C other bump:2.28233 Ang R7.CZ and S27.O other bump:1.6969 Ang R7.NH1 and S27.O other bump:1.79385 Ang L10.CD1 and S27.OG other bump:2.49024 Ang R7.CD and S27.OG other bump:1.00254 Ang L10.CD1 and S27.CB other bump:2.49594 Ang L10.CG and S27.CB other bump:2.35723 Ang L10.CD1 and S27.CA other bump:2.03562 Ang D14.OD1 and L25.CD2 other bump:1.92976 Ang V13.CG1 and L25.CD1 other bump:2.13024 Ang V13.CB and L25.CD1 other bump:3.09071 Ang V13.CG1 and L25.CG neighbor-bump: 1.14773 Ang D20.O and T21.OG1 neighbor-bump: 2.01916 Ang D20.C and T21.OG1 neighbor-bump: 2.28124 Ang D20.O and T21.CB neighbor-bump: 2.55378 Ang D20.C and T21.CB other bump:2.62207 Ang L16.CD1 and D20.OD2 self-bump: 1.38345 Ang N19.CA and N19.CB neighbor-bump: 2.18648 Ang N17.OD1 and E18.N neighbor-bump: 2.62684 Ang L16.C and N17.CB other bump:2.53446 Ang T6.O and L10.CG other bump:2.1864 Ang T2.OG1 and T5.OG1 other bump:2.59064 Ang T2.OG1 and T5.CB neighbor-bump: 2.695 Ang I3.C and K4.CB neighbor-bump: 2.18885 Ang I3.CG2 and K4.N self-bump: 2.42808 Ang I3.CG2 and I3.C self-bump: 1.36715 Ang I3.CA and I3.CB T0187 36 :SSLFELPLEGVSLEEIQKLTSAL 1xxaA 129 :DTIFTTPANGFTVKDLYEAILEL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.32079 Ang P8.CG and I17.CD1 other bump:2.46074 Ang P8.CD and I17.CD1 other bump:2.26194 Ang P8.N and I17.CD1 other bump:1.26447 Ang P8.CB and I17.CD1 other bump:1.76323 Ang P8.CA and I17.CD1 other bump:2.52193 Ang P8.CB and I17.CG1 other bump:3.02954 Ang P8.CA and I17.CG1 other bump:2.71223 Ang P8.CB and V12.CG1 other bump:2.8856 Ang L9.N and V12.CG1 Number of specific fragments= 2 total=1065 Number of alignments=249 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-simpleSW-adpstyle1.pw.a2m.gz # 1xxaA read from T0187-1xxaA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1xxaA in template set T0187 34 :GGSSLFELPLEGVSLEEI 1xxaA 127 :GDDTIFTTPANGFTVKDL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:3.06327 Ang P10.CA and I19.CG2 other bump:2.63601 Ang P10.CB and I19.CG2 other bump:2.71223 Ang P10.CB and V14.CG1 other bump:2.8856 Ang L11.N and V14.CG1 Number of specific fragments= 1 total=1066 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-simpleSW-adpstyle5.pw.a2m.gz # 1xxaA read from T0187-1xxaA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1xxaA in template set T0187 13 :RVLELVDQLNENDTVLFLLSG 1xxaA 107 :LIARLLDSLGKAEGILGTIAG Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.79385 Ang L4.CD1 and S21.OG other bump:2.49594 Ang L4.CG and S21.CB other bump:1.00254 Ang L4.CD1 and S21.CB other bump:2.35723 Ang L4.CD1 and S21.CA other bump:2.03562 Ang D8.OD1 and L19.CD2 other bump:2.13024 Ang V7.CB and L19.CD1 other bump:1.92976 Ang V7.CG1 and L19.CD1 other bump:3.09071 Ang V7.CG1 and L19.CG neighbor-bump: 1.14773 Ang D14.O and T15.OG1 neighbor-bump: 2.01916 Ang D14.C and T15.OG1 neighbor-bump: 2.28124 Ang D14.O and T15.CB neighbor-bump: 2.55378 Ang D14.C and T15.CB other bump:2.62207 Ang L10.CD1 and D14.OD2 self-bump: 1.38345 Ang N13.CA and N13.CB neighbor-bump: 2.18648 Ang N11.OD1 and E12.N neighbor-bump: 2.62684 Ang L10.C and N11.CB T0187 35 :GSSLFELPLEGVSLEEIQK 1xxaA 128 :DDTIFTTPANGFTVKDLYE Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.26194 Ang P9.N and I18.CD1 other bump:2.46074 Ang P9.CD and I18.CD1 other bump:1.76323 Ang P9.CA and I18.CD1 other bump:1.26447 Ang P9.CB and I18.CD1 other bump:2.32079 Ang P9.CG and I18.CD1 other bump:3.02954 Ang P9.CA and I18.CG1 other bump:2.52193 Ang P9.CB and I18.CG1 other bump:2.71223 Ang P9.CB and V13.CG1 other bump:2.8856 Ang L10.N and V13.CG1 Number of specific fragments= 2 total=1068 Number of alignments=250 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-vit-adpstyle1.pw.a2m.gz # 1xxaA read from T0187-1xxaA-vit-adpstyle1.pw.a2m.gz # found chain 1xxaA in template set T0187 10 :TTRRVLELVDQLNENDTVLFLLS 1xxaA 104 :AAQLIARLLDSLGKAEGILGTIA Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.63469 Ang R4.NH1 and G25.CA other bump:2.42045 Ang R4.NH1 and G25.N other bump:3.03842 Ang R4.CZ and S24.C other bump:1.97476 Ang R4.NH1 and S24.C other bump:2.28233 Ang R4.CZ and S24.O other bump:1.6969 Ang R4.NH1 and S24.O other bump:1.79856 Ang L7.CG and S24.OG other bump:0.955026 Ang L7.CD1 and S24.OG other bump:2.17422 Ang L7.CB and S24.OG other bump:2.68342 Ang L7.CG and S24.CB other bump:1.18023 Ang L7.CD1 and S24.CB other bump:2.35723 Ang L7.CD1 and S24.CA other bump:2.03562 Ang D11.OD1 and L22.CD2 other bump:2.13024 Ang V10.CB and L22.CD1 other bump:1.92976 Ang V10.CG1 and L22.CD1 other bump:3.09071 Ang V10.CG1 and L22.CG neighbor-bump: 1.14773 Ang D17.O and T18.OG1 neighbor-bump: 2.01916 Ang D17.C and T18.OG1 neighbor-bump: 2.28124 Ang D17.O and T18.CB neighbor-bump: 2.55378 Ang D17.C and T18.CB other bump:2.62207 Ang L13.CD1 and D17.OD2 self-bump: 1.38345 Ang N16.CA and N16.CB neighbor-bump: 2.18648 Ang N14.OD1 and E15.N neighbor-bump: 2.62684 Ang L13.C and N14.CB other bump:2.53446 Ang T3.O and L7.CG T0187 34 :GGSSLFELPLEGVSLEEIQKLTSAL 1xxaA 127 :GDDTIFTTPANGFTVKDLYEAILEL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.26194 Ang P10.N and I19.CD1 other bump:2.32079 Ang P10.CG and I19.CD1 other bump:2.46074 Ang P10.CD and I19.CD1 other bump:1.76323 Ang P10.CA and I19.CD1 other bump:1.26447 Ang P10.CB and I19.CD1 other bump:3.02954 Ang P10.CA and I19.CG1 other bump:2.52193 Ang P10.CB and I19.CG1 other bump:2.71223 Ang P10.CB and V14.CG1 other bump:2.8856 Ang L11.N and V14.CG1 Number of specific fragments= 2 total=1070 Number of alignments=251 # Reading fragments from alignment file # T0187 read from T0187-1xxaA-vit-adpstyle5.pw.a2m.gz # 1xxaA read from T0187-1xxaA-vit-adpstyle5.pw.a2m.gz # found chain 1xxaA in template set T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSGG 1xxaA 101 :SPGAAQLIARLLDSLGKAEGILGTIAGD Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.5347 Ang T6.CG2 and G30.CA other bump:2.87569 Ang T6.CG2 and G30.N other bump:3.20636 Ang T6.CG2 and G29.C other bump:2.83283 Ang T6.OG1 and G29.C other bump:2.76786 Ang R7.NH1 and G28.C other bump:2.22935 Ang R7.NH1 and G28.O other bump:2.63469 Ang R7.NH1 and G28.CA other bump:2.42045 Ang R7.NH1 and G28.N other bump:3.03842 Ang R7.CZ and S27.C other bump:1.97476 Ang R7.NH1 and S27.C other bump:2.28233 Ang R7.CZ and S27.O other bump:1.6969 Ang R7.NH1 and S27.O other bump:1.79385 Ang L10.CD1 and S27.OG other bump:2.49024 Ang R7.CD and S27.OG other bump:1.00254 Ang L10.CD1 and S27.CB other bump:2.49594 Ang L10.CG and S27.CB other bump:2.35723 Ang L10.CD1 and S27.CA other bump:2.03562 Ang D14.OD1 and L25.CD2 other bump:1.92976 Ang V13.CG1 and L25.CD1 other bump:2.13024 Ang V13.CB and L25.CD1 other bump:3.09071 Ang V13.CG1 and L25.CG neighbor-bump: 1.14773 Ang D20.O and T21.OG1 neighbor-bump: 2.01916 Ang D20.C and T21.OG1 neighbor-bump: 2.28124 Ang D20.O and T21.CB neighbor-bump: 2.55378 Ang D20.C and T21.CB other bump:2.62207 Ang L16.CD1 and D20.OD2 self-bump: 1.38345 Ang N19.CA and N19.CB neighbor-bump: 2.18648 Ang N17.OD1 and E18.N neighbor-bump: 2.62684 Ang L16.C and N17.CB other bump:2.53446 Ang T6.O and L10.CG other bump:2.1864 Ang T2.OG1 and T5.OG1 other bump:2.59064 Ang T2.OG1 and T5.CB neighbor-bump: 2.695 Ang I3.C and K4.CB neighbor-bump: 2.18885 Ang I3.CG2 and K4.N self-bump: 2.42808 Ang I3.CG2 and I3.C self-bump: 1.36715 Ang I3.CA and I3.CB T0187 36 :SSLFELPLEGVSLEEIQKLTSAL 1xxaA 129 :DTIFTTPANGFTVKDLYEAILEL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.32079 Ang P8.CG and I17.CD1 other bump:2.46074 Ang P8.CD and I17.CD1 other bump:2.26194 Ang P8.N and I17.CD1 other bump:1.26447 Ang P8.CB and I17.CD1 other bump:1.76323 Ang P8.CA and I17.CD1 other bump:2.52193 Ang P8.CB and I17.CG1 other bump:3.02954 Ang P8.CA and I17.CG1 other bump:2.71223 Ang P8.CB and V12.CG1 other bump:2.8856 Ang L9.N and V12.CG1 Number of specific fragments= 2 total=1072 Number of alignments=252 # Prefix for input files set to 1i5nA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1i5nA-T0187-fssp-global-adpstyle1.pw.a2m.gz # 1i5nA read from 1i5nA-T0187-fssp-global-adpstyle1.pw.a2m.gz # found chain 1i5nA in template set T0187 43 :LEGVSLEEIQKLTSALLKSGASIEEI 1i5nA 5 :ISDFYQTFFDEADELLADMEQHLLDL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.70278 Ang L13.CD1 and L17.CD1 T0187 70 :TVRKHLSQVKGGRFAERVFPAKVVALVL 1i5nA 31 :VPESPDAEQLNAIFRAAHSIKGGAGTFG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:1.46622 Ang E17.O and P21.CD other bump:2.68615 Ang E17.C and P21.CD other bump:3.17651 Ang R18.C and P21.CD other bump:2.15902 Ang E17.O and P21.CG other bump:3.21954 Ang E17.C and P21.CG other bump:3.1639 Ang F15.CE1 and V19.CG2 other bump:2.97459 Ang L7.CD2 and V10.CG2 other bump:2.59813 Ang V3.C and H6.NE2 other bump:2.10878 Ang V3.CA and H6.NE2 other bump:3.15553 Ang V3.C and H6.CE1 other bump:2.84313 Ang T2.C and H6.CE1 other bump:2.38716 Ang V3.N and H6.CE1 other bump:2.14541 Ang V3.CA and H6.CE1 other bump:2.87603 Ang T2.C and H6.ND1 other bump:3.13381 Ang V3.CA and H6.ND1 other bump:2.45528 Ang V3.O and H6.CD2 other bump:3.09281 Ang V3.C and H6.CD2 other bump:3.13649 Ang V3.CA and H6.CD2 T0187 113 :AWPDSSTSEDALKVLEKY 1i5nA 59 :FTILQETTHLMENLLDEA Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 2.47594 Ang W3.CG and P4.CD neighbor-bump: 2.89991 Ang W3.CD1 and P4.CD neighbor-bump: 2.37092 Ang W3.CD2 and P4.CD neighbor-bump: 2.78796 Ang W3.CE2 and P4.CD neighbor-bump: 2.96132 Ang W3.CE3 and P4.CD neighbor-bump: 3.08247 Ang W3.NE1 and P4.CD neighbor-bump: 2.65257 Ang W3.CD2 and P4.CG neighbor-bump: 2.59037 Ang W3.CE2 and P4.CG neighbor-bump: 2.88819 Ang W3.CE3 and P4.CG neighbor-bump: 2.78927 Ang W3.CZ2 and P4.CG neighbor-bump: 3.04671 Ang W3.CZ3 and P4.CG neighbor-bump: 2.98818 Ang W3.CH2 and P4.CG neighbor-bump: 2.98839 Ang W3.CE3 and P4.CA neighbor-bump: 2.76202 Ang W3.CD2 and P4.N neighbor-bump: 2.75546 Ang W3.CE3 and P4.N T0187 131 :GIETSESVKRAILQETPKH 1i5nA 91 :FLETKDIMQEQLDAYKNSE Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.20546 Ang Q15.CD and G21.CA other bump:2.64771 Ang Q15.OE1 and G21.CA other bump:1.3156 Ang Q15.NE2 and G21.CA other bump:3.10387 Ang Q15.CG and G21.N other bump:2.16025 Ang Q15.CD and G21.N other bump:2.49865 Ang Q15.OE1 and G21.N other bump:2.01272 Ang Q15.NE2 and G21.N other bump:2.87689 Ang Q15.CG and H20.C other bump:2.04305 Ang Q15.CD and H20.C other bump:1.84009 Ang Q15.OE1 and H20.C other bump:2.64391 Ang Q15.NE2 and H20.C other bump:1.90113 Ang Q15.CD and H20.O other bump:0.975666 Ang Q15.OE1 and H20.O other bump:2.69497 Ang P18.CB and H20.ND1 other bump:2.80228 Ang Q15.CG and H20.CB other bump:3.24751 Ang Q15.CD and H20.CA neighbor-bump: 2.38745 Ang T17.N and P18.CD neighbor-bump: 2.22348 Ang T17.CA and P18.CD neighbor-bump: 2.46432 Ang T17.CB and P18.CD neighbor-bump: 1.87167 Ang T17.C and P18.CD self-bump: 1.29307 Ang P18.N and P18.CD other bump:2.38249 Ang L14.O and P18.CD self-bump: 2.14909 Ang P18.N and P18.CG other bump:2.26149 Ang L14.O and P18.CG Number of specific fragments= 4 total=1076 Number of alignments=253 # Reading fragments from alignment file # T0187 read from 1i5nA-T0187-fssp-global-adpstyle5.pw.a2m.gz # 1i5nA read from 1i5nA-T0187-fssp-global-adpstyle5.pw.a2m.gz # found chain 1i5nA in template set T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEIQ 1i5nA 9 :YQTFFDEADELLADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGGA Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.08307 Ang T5.CG2 and I46.CG2 other bump:3.05597 Ang V9.CA and L43.CD2 other bump:3.0497 Ang V9.CB and L43.CD2 other bump:2.98991 Ang V9.CG1 and L43.CD2 other bump:2.78057 Ang V9.CG2 and L43.CD2 other bump:2.03479 Ang L12.CA and E39.OE2 other bump:1.01914 Ang L12.CB and E39.OE2 other bump:2.39518 Ang L12.CG and E39.OE2 other bump:2.95739 Ang L12.CD1 and E39.OE2 other bump:2.35716 Ang L12.C and E39.OE2 other bump:2.61177 Ang L12.CA and E39.OE1 other bump:1.81379 Ang L12.CB and E39.OE1 other bump:1.77592 Ang L12.CG and E39.OE1 other bump:2.65053 Ang L12.CD1 and E39.OE1 other bump:1.39015 Ang L12.CD2 and E39.OE1 other bump:2.3553 Ang L12.CA and E39.CD other bump:1.47928 Ang L12.CB and E39.CD other bump:2.34346 Ang L12.CG and E39.CD other bump:3.00583 Ang L12.CD1 and E39.CD other bump:2.58183 Ang L12.CD2 and E39.CD other bump:2.74135 Ang L12.C and E39.CD other bump:2.93218 Ang L12.CB and E39.CG other bump:3.23619 Ang L12.C and E39.CG other bump:1.4597 Ang L33.O and P37.CD other bump:2.67632 Ang L33.C and P37.CD other bump:3.15266 Ang F34.C and P37.CD other bump:2.14176 Ang L33.O and P37.CG other bump:3.18689 Ang L33.C and P37.CG other bump:3.10023 Ang L16.CA and L36.CD2 other bump:2.39839 Ang L16.CD1 and L36.CD2 other bump:2.92237 Ang D20.OD2 and L36.CD1 other bump:2.61749 Ang L23.CD2 and S32.OG T0187 116 :DSSTSEDALKVLEKYGIET 1i5nA 62 :LQETTHLMENLLDEARRGE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.87643 Ang E14.OE2 and I18.CD1 other bump:2.26297 Ang E14.CD and I18.CD1 T0187 135 :SESVKRAILQE 1i5nA 95 :KDIMQEQLDAY Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:1.47642 Ang A8.O and E12.OE1 other bump:2.28409 Ang A8.C and E12.OE1 other bump:2.70634 Ang I9.CA and E12.OE1 other bump:2.35414 Ang A8.O and E12.CD other bump:3.19648 Ang A8.C and E12.CD Number of specific fragments= 3 total=1079 Number of alignments=254 # Reading fragments from alignment file # T0187 read from 1i5nA-T0187-local-adpstyle1.pw.a2m.gz # 1i5nA read from 1i5nA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1i5nA in template set T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLG 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGGAGTFGFTILQETTHLMENLLD Fragment has 55 clashes (null) has 55 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 57 residues other bump:1.89178 Ang L29.CD1 and L55.CD1 other bump:2.24452 Ang R36.NH1 and A48.CB other bump:2.88812 Ang R36.NH2 and A48.CB other bump:2.95341 Ang R36.CZ and A48.CB other bump:2.81478 Ang K33.CD and K45.NZ other bump:3.09811 Ang K33.CE and K45.NZ other bump:2.99391 Ang K33.CG and K45.CE other bump:2.64219 Ang R36.CD and K45.CB other bump:2.95917 Ang R36.CG and K45.CA other bump:2.86049 Ang R36.NE and K45.CA other bump:3.19319 Ang R36.CZ and K45.CA other bump:1.87202 Ang R36.CD and K45.CA other bump:2.52431 Ang R36.CG and K45.N other bump:2.08157 Ang R36.NE and K45.N other bump:2.86981 Ang R36.CZ and K45.N other bump:1.17704 Ang R36.CD and K45.N other bump:2.7573 Ang R36.NH1 and A44.C other bump:3.29521 Ang R36.CG and A44.C other bump:1.66275 Ang R36.NE and A44.C other bump:2.22763 Ang R36.CZ and A44.C other bump:1.85462 Ang R36.CD and A44.C other bump:2.08377 Ang R36.NH1 and A44.O other bump:1.81226 Ang R36.CZ and A44.O other bump:2.65993 Ang R36.CD and A44.O other bump:2.16731 Ang R36.NE and A44.CB other bump:2.84735 Ang R36.CD and A44.CB other bump:2.31353 Ang R36.NE and A44.CA other bump:3.1386 Ang R36.CZ and A44.CA other bump:2.73839 Ang R36.CD and A44.CA other bump:2.3377 Ang R40.CZ and F42.CZ other bump:2.68603 Ang R40.NH2 and F42.CZ other bump:3.01288 Ang R40.CG and F42.CZ other bump:2.43118 Ang R40.CD and F42.CZ other bump:1.44458 Ang R40.NE and F42.CZ other bump:2.40993 Ang R40.CD and F42.CE2 other bump:2.08752 Ang R40.NE and F42.CE2 other bump:2.63648 Ang R40.NE and F42.CE1 other bump:2.52722 Ang R36.CG and V41.O other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 Number of specific fragments= 1 total=1080 Number of alignments=255 # Reading fragments from alignment file # T0187 read from 1i5nA-T0187-local-adpstyle5.pw.a2m.gz # 1i5nA read from 1i5nA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1i5nA in template set T0187 49 :EEIQKLTSALLK 1i5nA 18 :ELLADMEQHLLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0187 61 :SGASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGD 1i5nA 33 :ESPDAEQLNAIFRAAHSIKGGAGTFGFTILQETTHLMENLLDE Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:1.89178 Ang L16.CD1 and L42.CD1 other bump:2.88812 Ang R23.NH2 and A35.CB other bump:2.95341 Ang R23.CZ and A35.CB other bump:2.24452 Ang R23.NH1 and A35.CB other bump:3.09811 Ang K20.CE and K32.NZ other bump:2.81478 Ang K20.CD and K32.NZ other bump:2.99391 Ang K20.CG and K32.CE other bump:2.64219 Ang R23.CD and K32.CB other bump:2.95917 Ang R23.CG and K32.CA other bump:1.87202 Ang R23.CD and K32.CA other bump:2.86049 Ang R23.NE and K32.CA other bump:3.19319 Ang R23.CZ and K32.CA other bump:2.52431 Ang R23.CG and K32.N other bump:1.17704 Ang R23.CD and K32.N other bump:2.08157 Ang R23.NE and K32.N other bump:2.86981 Ang R23.CZ and K32.N other bump:3.29521 Ang R23.CG and A31.C other bump:1.85462 Ang R23.CD and A31.C other bump:1.66275 Ang R23.NE and A31.C other bump:2.22763 Ang R23.CZ and A31.C other bump:2.7573 Ang R23.NH1 and A31.C other bump:2.65993 Ang R23.CD and A31.O other bump:1.81226 Ang R23.CZ and A31.O other bump:2.08377 Ang R23.NH1 and A31.O other bump:2.84735 Ang R23.CD and A31.CB other bump:2.16731 Ang R23.NE and A31.CB other bump:2.73839 Ang R23.CD and A31.CA other bump:2.31353 Ang R23.NE and A31.CA other bump:3.1386 Ang R23.CZ and A31.CA other bump:3.01288 Ang R27.CG and F29.CZ other bump:2.43118 Ang R27.CD and F29.CZ other bump:1.44458 Ang R27.NE and F29.CZ other bump:2.3377 Ang R27.CZ and F29.CZ other bump:2.68603 Ang R27.NH2 and F29.CZ other bump:2.40993 Ang R27.CD and F29.CE2 other bump:2.08752 Ang R27.NE and F29.CE2 other bump:2.63648 Ang R27.NE and F29.CE1 other bump:2.52722 Ang R23.CG and V28.O other bump:2.18904 Ang R13.CZ and S17.OG other bump:1.0351 Ang R13.NH1 and S17.OG other bump:2.413 Ang R13.NH1 and S17.CB other bump:2.86105 Ang A4.CB and I9.CD1 Number of specific fragments= 2 total=1082 Number of alignments=256 # Reading fragments from alignment file # T0187 read from 1i5nA-T0187-vit-adpstyle1.pw.a2m.gz # 1i5nA read from 1i5nA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1i5nA in template set T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLG 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGGAGTFGFTILQETTHLMENLLD Fragment has 55 clashes (null) has 55 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 57 residues other bump:1.89178 Ang L29.CD1 and L55.CD1 other bump:2.24452 Ang R36.NH1 and A48.CB other bump:2.88812 Ang R36.NH2 and A48.CB other bump:2.95341 Ang R36.CZ and A48.CB other bump:2.81478 Ang K33.CD and K45.NZ other bump:3.09811 Ang K33.CE and K45.NZ other bump:2.99391 Ang K33.CG and K45.CE other bump:2.64219 Ang R36.CD and K45.CB other bump:2.95917 Ang R36.CG and K45.CA other bump:2.86049 Ang R36.NE and K45.CA other bump:3.19319 Ang R36.CZ and K45.CA other bump:1.87202 Ang R36.CD and K45.CA other bump:2.52431 Ang R36.CG and K45.N other bump:2.08157 Ang R36.NE and K45.N other bump:2.86981 Ang R36.CZ and K45.N other bump:1.17704 Ang R36.CD and K45.N other bump:2.7573 Ang R36.NH1 and A44.C other bump:3.29521 Ang R36.CG and A44.C other bump:1.66275 Ang R36.NE and A44.C other bump:2.22763 Ang R36.CZ and A44.C other bump:1.85462 Ang R36.CD and A44.C other bump:2.08377 Ang R36.NH1 and A44.O other bump:1.81226 Ang R36.CZ and A44.O other bump:2.65993 Ang R36.CD and A44.O other bump:2.16731 Ang R36.NE and A44.CB other bump:2.84735 Ang R36.CD and A44.CB other bump:2.31353 Ang R36.NE and A44.CA other bump:3.1386 Ang R36.CZ and A44.CA other bump:2.73839 Ang R36.CD and A44.CA other bump:2.3377 Ang R40.CZ and F42.CZ other bump:2.68603 Ang R40.NH2 and F42.CZ other bump:3.01288 Ang R40.CG and F42.CZ other bump:2.43118 Ang R40.CD and F42.CZ other bump:1.44458 Ang R40.NE and F42.CZ other bump:2.40993 Ang R40.CD and F42.CE2 other bump:2.08752 Ang R40.NE and F42.CE2 other bump:2.63648 Ang R40.NE and F42.CE1 other bump:2.52722 Ang R36.CG and V41.O other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 Number of specific fragments= 1 total=1083 Number of alignments=257 # Reading fragments from alignment file # T0187 read from 1i5nA-T0187-vit-adpstyle5.pw.a2m.gz # 1i5nA read from 1i5nA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1i5nA in template set T0187 49 :EEIQKLTSALLK 1i5nA 18 :ELLADMEQHLLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0187 61 :SGASIEEINTVRKHLSQVKGGRFAERVFPAKVVALVLSDVLGD 1i5nA 33 :ESPDAEQLNAIFRAAHSIKGGAGTFGFTILQETTHLMENLLDE Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:1.89178 Ang L16.CD1 and L42.CD1 other bump:2.88812 Ang R23.NH2 and A35.CB other bump:2.95341 Ang R23.CZ and A35.CB other bump:2.24452 Ang R23.NH1 and A35.CB other bump:3.09811 Ang K20.CE and K32.NZ other bump:2.81478 Ang K20.CD and K32.NZ other bump:2.99391 Ang K20.CG and K32.CE other bump:2.64219 Ang R23.CD and K32.CB other bump:2.95917 Ang R23.CG and K32.CA other bump:1.87202 Ang R23.CD and K32.CA other bump:2.86049 Ang R23.NE and K32.CA other bump:3.19319 Ang R23.CZ and K32.CA other bump:2.52431 Ang R23.CG and K32.N other bump:1.17704 Ang R23.CD and K32.N other bump:2.08157 Ang R23.NE and K32.N other bump:2.86981 Ang R23.CZ and K32.N other bump:3.29521 Ang R23.CG and A31.C other bump:1.85462 Ang R23.CD and A31.C other bump:1.66275 Ang R23.NE and A31.C other bump:2.22763 Ang R23.CZ and A31.C other bump:2.7573 Ang R23.NH1 and A31.C other bump:2.65993 Ang R23.CD and A31.O other bump:1.81226 Ang R23.CZ and A31.O other bump:2.08377 Ang R23.NH1 and A31.O other bump:2.84735 Ang R23.CD and A31.CB other bump:2.16731 Ang R23.NE and A31.CB other bump:2.73839 Ang R23.CD and A31.CA other bump:2.31353 Ang R23.NE and A31.CA other bump:3.1386 Ang R23.CZ and A31.CA other bump:3.01288 Ang R27.CG and F29.CZ other bump:2.43118 Ang R27.CD and F29.CZ other bump:1.44458 Ang R27.NE and F29.CZ other bump:2.3377 Ang R27.CZ and F29.CZ other bump:2.68603 Ang R27.NH2 and F29.CZ other bump:2.40993 Ang R27.CD and F29.CE2 other bump:2.08752 Ang R27.NE and F29.CE2 other bump:2.63648 Ang R27.NE and F29.CE1 other bump:2.52722 Ang R23.CG and V28.O other bump:2.18904 Ang R13.CZ and S17.OG other bump:1.0351 Ang R13.NH1 and S17.OG other bump:2.413 Ang R13.NH1 and S17.CB other bump:2.86105 Ang A4.CB and I9.CD1 Number of specific fragments= 2 total=1085 Number of alignments=258 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1i5nA read from T0187-1i5nA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1i5nA in template set T0187 5 :ENTIK 1i5nA 5 :ISDFY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.42399 Ang N3.OD1 and K6.CE other bump:2.59934 Ang G1.O and T4.CB T0187 12 :RRVLELVDQL 1i5nA 10 :QTFFDEADEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGGR 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGGA Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 T0187 83 :FAER 1i5nA 62 :LQET Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.83071 Ang F2.CE1 and R5.NH2 T0187 117 :SSTSEDALKVLEKYGIETSESVKRAILQETP 1i5nA 66 :THLMENLLDEARRGEMQLNTDIINLFLETKD Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:1.48843 Ang L28.O and P32.CD other bump:2.62012 Ang L28.C and P32.CD other bump:3.23767 Ang Q29.CA and P32.CD other bump:2.87457 Ang Q29.C and P32.CD other bump:2.09772 Ang L28.O and P32.CG other bump:3.14077 Ang L28.C and P32.CG other bump:2.75275 Ang V11.CG1 and I17.CD1 other bump:2.86089 Ang V11.CB and I17.CG1 other bump:1.72293 Ang V11.CG1 and I17.CG1 other bump:2.80078 Ang V11.CG1 and I17.CB other bump:1.99965 Ang K10.CE and K14.NZ other bump:1.90009 Ang K10.NZ and K14.NZ other bump:2.47346 Ang K10.CE and K14.CE other bump:2.22506 Ang K10.NZ and K14.CE other bump:2.15828 Ang K10.CE and K14.CD other bump:2.16694 Ang K10.NZ and K14.CD other bump:1.95763 Ang K10.CE and K14.CG Number of specific fragments= 5 total=1090 Number of alignments=259 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1i5nA read from T0187-1i5nA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1i5nA in template set T0187 5 :ENTIK 1i5nA 5 :ISDFY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.42399 Ang N3.OD1 and K6.CE other bump:2.59934 Ang G1.O and T4.CB T0187 12 :RRVLELVDQL 1i5nA 10 :QTFFDEADEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGG 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 T0187 83 :FAERVFPAK 1i5nA 72 :LLDEARRGE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.20145 Ang P8.O and A9.CB neighbor-bump: 2.49261 Ang P8.C and A9.CB T0187 105 :LDVI 1i5nA 85 :TDII Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 111 :GPAWPDSSTSEDALKVLEKYGIET 1i5nA 107 :NSEEPDAASFEYICNALRQLALEA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 1.58664 Ang G2.C and P3.CD neighbor-bump: 2.03664 Ang G2.O and P3.CD self-bump: 2.22368 Ang P3.CA and P3.CD Number of specific fragments= 6 total=1096 Number of alignments=260 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1i5nA read from T0187-1i5nA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1i5nA in template set T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGG 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 Number of specific fragments= 1 total=1097 Number of alignments=261 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1i5nA read from T0187-1i5nA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1i5nA in template set T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERV 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGGAGTFGF Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.52722 Ang R36.CG and V41.O other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 T0187 113 :AWP 1i5nA 60 :TIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 116 :DSSTSEDALKVLEKYGIETSESVKRAI 1i5nA 65 :TTHLMENLLDEARRGEMQLNTDIINLF Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.75275 Ang V12.CG1 and I18.CD1 other bump:1.72293 Ang V12.CG1 and I18.CG1 other bump:2.86089 Ang V12.CB and I18.CG1 other bump:2.80078 Ang V12.CG1 and I18.CB other bump:1.90009 Ang K11.NZ and K15.NZ other bump:1.99965 Ang K11.CE and K15.NZ other bump:2.22506 Ang K11.NZ and K15.CE other bump:2.47346 Ang K11.CE and K15.CE other bump:2.16694 Ang K11.NZ and K15.CD other bump:2.15828 Ang K11.CE and K15.CD other bump:1.95763 Ang K11.CE and K15.CG Number of specific fragments= 3 total=1100 Number of alignments=262 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1i5nA read from T0187-1i5nA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1i5nA in template set T0187 5 :ENTIK 1i5nA 5 :ISDFY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.42399 Ang N3.OD1 and K6.CE other bump:2.59934 Ang G1.O and T4.CB T0187 12 :RRVLELVDQL 1i5nA 10 :QTFFDEADEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGGR 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGGA Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 T0187 83 :FAERVFP 1i5nA 62 :LQETTHL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:1.67363 Ang E4.O and P8.CD other bump:2.8671 Ang E4.C and P8.CD other bump:2.3407 Ang E4.O and P8.CG T0187 120 :SEDALKVLEKYGIETSESVKRAILQETP 1i5nA 69 :MENLLDEARRGEMQLNTDIINLFLETKD Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:1.48843 Ang L25.O and P29.CD other bump:2.62012 Ang L25.C and P29.CD other bump:3.23767 Ang Q26.CA and P29.CD other bump:2.87457 Ang Q26.C and P29.CD other bump:2.09772 Ang L25.O and P29.CG other bump:3.14077 Ang L25.C and P29.CG other bump:2.75275 Ang V8.CG1 and I14.CD1 other bump:2.86089 Ang V8.CB and I14.CG1 other bump:1.72293 Ang V8.CG1 and I14.CG1 other bump:2.80078 Ang V8.CG1 and I14.CB other bump:1.99965 Ang K7.CE and K11.NZ other bump:1.90009 Ang K7.NZ and K11.NZ other bump:2.47346 Ang K7.CE and K11.CE other bump:2.22506 Ang K7.NZ and K11.CE other bump:2.15828 Ang K7.CE and K11.CD other bump:2.16694 Ang K7.NZ and K11.CD other bump:1.95763 Ang K7.CE and K11.CG Number of specific fragments= 5 total=1105 Number of alignments=263 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1i5nA read from T0187-1i5nA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1i5nA in template set T0187 5 :ENTIK 1i5nA 5 :ISDFY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.42399 Ang N3.OD1 and K6.CE other bump:2.59934 Ang G1.O and T4.CB T0187 12 :RRVLELVDQL 1i5nA 10 :QTFFDEADEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGGR 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGGA Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 T0187 118 :STSEDALKVLEKYGIETSESVKRAILQETP 1i5nA 67 :HLMENLLDEARRGEMQLNTDIINLFLETKD Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:1.48843 Ang L27.O and P31.CD other bump:2.62012 Ang L27.C and P31.CD other bump:3.23767 Ang Q28.CA and P31.CD other bump:2.87457 Ang Q28.C and P31.CD other bump:2.09772 Ang L27.O and P31.CG other bump:3.14077 Ang L27.C and P31.CG other bump:2.75275 Ang V10.CG1 and I16.CD1 other bump:2.86089 Ang V10.CB and I16.CG1 other bump:1.72293 Ang V10.CG1 and I16.CG1 other bump:2.80078 Ang V10.CG1 and I16.CB other bump:1.99965 Ang K9.CE and K13.NZ other bump:1.90009 Ang K9.NZ and K13.NZ other bump:2.47346 Ang K9.CE and K13.CE other bump:2.22506 Ang K9.NZ and K13.CE other bump:2.15828 Ang K9.CE and K13.CD other bump:2.16694 Ang K9.NZ and K13.CD other bump:1.95763 Ang K9.CE and K13.CG Number of specific fragments= 4 total=1109 Number of alignments=264 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1i5nA read from T0187-1i5nA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1i5nA in template set T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGG 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 Number of specific fragments= 1 total=1110 Number of alignments=265 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1i5nA read from T0187-1i5nA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1i5nA in template set T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRF 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGGAG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 Number of specific fragments= 1 total=1111 Number of alignments=266 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1i5nA read from T0187-1i5nA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1i5nA in template set T0187 5 :ENTIK 1i5nA 5 :ISDFY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.42399 Ang N3.OD1 and K6.CE other bump:2.59934 Ang G1.O and T4.CB T0187 12 :RRVLELVDQL 1i5nA 10 :QTFFDEADEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGG 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 T0187 82 :RFAERVFPAK 1i5nA 71 :NLLDEARRGE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.20145 Ang P9.O and A10.CB neighbor-bump: 2.49261 Ang P9.C and A10.CB T0187 101 :LGDRLDVIA 1i5nA 81 :MQLNTDIIN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.58752 Ang L2.CD1 and G3.O T0187 110 :SGPAWPDSSTSEDALKVLEKYGIET 1i5nA 106 :KNSEEPDAASFEYICNALRQLALEA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 1.58664 Ang G3.C and P4.CD neighbor-bump: 2.03664 Ang G3.O and P4.CD self-bump: 2.22368 Ang P4.CA and P4.CD Number of specific fragments= 6 total=1117 Number of alignments=267 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1i5nA read from T0187-1i5nA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1i5nA in template set T0187 5 :ENTIK 1i5nA 5 :ISDFY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.42399 Ang N3.OD1 and K6.CE other bump:2.59934 Ang G1.O and T4.CB T0187 12 :RRVLELVDQL 1i5nA 10 :QTFFDEADEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGG 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 T0187 82 :RFAERVFPAK 1i5nA 71 :NLLDEARRGE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.20145 Ang P9.O and A10.CB neighbor-bump: 2.49261 Ang P9.C and A10.CB T0187 104 :RLDVI 1i5nA 84 :NTDII Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 109 :ASGPAWPDSSTSEDALKVLEKYGIET 1i5nA 105 :YKNSEEPDAASFEYICNALRQLALEA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues neighbor-bump: 1.58664 Ang G4.C and P5.CD neighbor-bump: 2.03664 Ang G4.O and P5.CD self-bump: 2.22368 Ang P5.CA and P5.CD Number of specific fragments= 6 total=1123 Number of alignments=268 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1i5nA read from T0187-1i5nA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1i5nA in template set T0187 5 :ENTIKTTRRVLELVDQLNE 1i5nA 14 :DEADELLADMEQHLLDLVP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.0688 Ang L12.O and D16.OD2 other bump:2.90046 Ang L12.C and D16.OD2 other bump:2.53654 Ang K6.CD and R9.NH2 T0187 44 :EGVSLEEIQKLTSALL 1i5nA 33 :ESPDAEQLNAIFRAAH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.85575 Ang V4.CB and I9.CD1 other bump:2.42798 Ang V4.CG1 and I9.CD1 other bump:2.49281 Ang V4.CG1 and I9.CG1 T0187 60 :KSGASIEEINTVRKH 1i5nA 56 :TFGFTILQETTHLME Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.54252 Ang E9.O and V13.CG2 T0187 81 :GRFAERVFPAK 1i5nA 71 :NLLDEARRGEM Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.57266 Ang R3.C and K12.NZ other bump:2.24134 Ang R3.CA and K12.NZ other bump:2.20145 Ang R3.CB and K12.NZ other bump:2.00034 Ang R3.O and K12.CE other bump:2.84723 Ang R3.C and K12.CE other bump:3.04448 Ang R7.CG and K12.CG neighbor-bump: 1.19261 Ang F9.O and P10.CD self-bump: 2.20176 Ang P10.CA and P10.CD neighbor-bump: 2.33076 Ang F9.CA and P10.CD neighbor-bump: 1.05905 Ang F9.C and P10.CD neighbor-bump: 2.43154 Ang F9.C and P10.CG other bump:2.59397 Ang A5.O and F9.CD2 T0187 102 :GDRLDVIAS 1i5nA 82 :QLNTDIINL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 120 :SEDALKVLE 1i5nA 91 :FLETKDIMQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 129 :KYGIETSESVKRAILQETPK 1i5nA 106 :KNSEEPDAASFEYICNALRQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues Number of specific fragments= 7 total=1130 Number of alignments=269 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1i5nA read from T0187-1i5nA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1i5nA in template set T0187 5 :ENTIKTTRRVLELVDQLNE 1i5nA 14 :DEADELLADMEQHLLDLVP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.0688 Ang L12.O and D16.OD2 other bump:2.90046 Ang L12.C and D16.OD2 other bump:2.53654 Ang K6.CD and R9.NH2 T0187 44 :EGVSLEEIQKLTSALL 1i5nA 33 :ESPDAEQLNAIFRAAH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.85575 Ang V4.CB and I9.CD1 other bump:2.42798 Ang V4.CG1 and I9.CD1 other bump:2.49281 Ang V4.CG1 and I9.CG1 T0187 60 :KSGASIEEINTVRKH 1i5nA 56 :TFGFTILQETTHLME Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.54252 Ang E9.O and V13.CG2 T0187 81 :GRFAERVFPAK 1i5nA 71 :NLLDEARRGEM Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.57266 Ang R3.C and K12.NZ other bump:2.24134 Ang R3.CA and K12.NZ other bump:2.20145 Ang R3.CB and K12.NZ other bump:2.00034 Ang R3.O and K12.CE other bump:2.84723 Ang R3.C and K12.CE other bump:3.04448 Ang R7.CG and K12.CG neighbor-bump: 1.19261 Ang F9.O and P10.CD self-bump: 2.20176 Ang P10.CA and P10.CD neighbor-bump: 2.33076 Ang F9.CA and P10.CD neighbor-bump: 1.05905 Ang F9.C and P10.CD neighbor-bump: 2.43154 Ang F9.C and P10.CG other bump:2.59397 Ang A5.O and F9.CD2 T0187 102 :GDRLDVIAS 1i5nA 82 :QLNTDIINL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 120 :SEDALKVLE 1i5nA 91 :FLETKDIMQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 129 :KYGIETSESVKRAILQETPK 1i5nA 106 :KNSEEPDAASFEYICNALRQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues Number of specific fragments= 7 total=1137 Number of alignments=270 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1i5nA read from T0187-1i5nA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1i5nA in template set T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGG 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 Number of specific fragments= 1 total=1138 Number of alignments=271 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1i5nA read from T0187-1i5nA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1i5nA in template set T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERV 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGGAGTFGF Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.52722 Ang R36.CG and V41.O other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 T0187 104 :RLDV 1i5nA 60 :TILQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 115 :PDSSTSEDALKVLEKYGIETSESVKRAILQ 1i5nA 64 :ETTHLMENLLDEARRGEMQLNTDIINLFLE Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.75275 Ang V13.CG1 and I19.CD1 other bump:1.72293 Ang V13.CG1 and I19.CG1 other bump:2.86089 Ang V13.CB and I19.CG1 other bump:2.80078 Ang V13.CG1 and I19.CB other bump:1.90009 Ang K12.NZ and K16.NZ other bump:1.99965 Ang K12.CE and K16.NZ other bump:2.22506 Ang K12.NZ and K16.CE other bump:2.47346 Ang K12.CE and K16.CE other bump:2.16694 Ang K12.NZ and K16.CD other bump:2.15828 Ang K12.CE and K16.CD other bump:1.95763 Ang K12.CE and K16.CG Number of specific fragments= 3 total=1141 Number of alignments=272 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1i5nA read from T0187-1i5nA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1i5nA in template set T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGG 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 Number of specific fragments= 1 total=1142 Number of alignments=273 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1i5nA read from T0187-1i5nA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1i5nA in template set T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGGRFAERV 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGGAGTFGF Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.52722 Ang R36.CG and V41.O other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 T0187 104 :RLDV 1i5nA 60 :TILQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 115 :PDSSTSEDALKVLEKYGIETSESVKRAILQ 1i5nA 64 :ETTHLMENLLDEARRGEMQLNTDIINLFLE Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.75275 Ang V13.CG1 and I19.CD1 other bump:1.72293 Ang V13.CG1 and I19.CG1 other bump:2.86089 Ang V13.CB and I19.CG1 other bump:2.80078 Ang V13.CG1 and I19.CB other bump:1.90009 Ang K12.NZ and K16.NZ other bump:1.99965 Ang K12.CE and K16.NZ other bump:2.22506 Ang K12.NZ and K16.CE other bump:2.47346 Ang K12.CE and K16.CE other bump:2.16694 Ang K12.NZ and K16.CD other bump:2.15828 Ang K12.CE and K16.CD other bump:1.95763 Ang K12.CE and K16.CG Number of specific fragments= 3 total=1145 Number of alignments=274 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-local-adpstyle1.pw.a2m.gz # 1i5nA read from T0187-1i5nA-local-adpstyle1.pw.a2m.gz # found chain 1i5nA in template set T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGG 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 Number of specific fragments= 1 total=1146 Number of alignments=275 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-local-adpstyle5.pw.a2m.gz # 1i5nA read from T0187-1i5nA-local-adpstyle5.pw.a2m.gz # found chain 1i5nA in template set T0187 47 :SLEEIQKLTSALLKSGASIEEINTVRKHLSQVKGGR 1i5nA 19 :LLADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGGA Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.18904 Ang R27.CZ and S31.OG other bump:1.0351 Ang R27.NH1 and S31.OG other bump:2.413 Ang R27.NH1 and S31.CB other bump:2.86875 Ang S2.CB and H29.NE2 other bump:2.25397 Ang I6.CD1 and H29.NE2 other bump:2.47812 Ang S2.C and H29.NE2 other bump:1.55131 Ang S2.CB and H29.CE1 other bump:2.22119 Ang S2.CA and H29.CE1 other bump:2.58625 Ang S2.O and H29.CE1 other bump:2.11306 Ang S2.C and H29.CE1 other bump:2.63885 Ang L3.N and H29.CE1 other bump:1.64367 Ang S2.CB and H29.ND1 other bump:2.5536 Ang S2.OG and H29.ND1 other bump:2.4146 Ang S2.CA and H29.ND1 other bump:2.66726 Ang S2.C and H29.ND1 other bump:2.24876 Ang I6.CG1 and H29.CD2 other bump:1.2472 Ang I6.CD1 and H29.CD2 other bump:3.0136 Ang S2.CB and H29.CG other bump:2.71562 Ang I6.CG1 and H29.CG other bump:2.34656 Ang I6.CD1 and H29.CG other bump:3.28392 Ang S2.C and H29.CG other bump:2.35501 Ang L9.CD2 and T25.CG2 other bump:2.96676 Ang L9.CD2 and T25.CB other bump:2.86105 Ang A18.CB and I23.CD1 Number of specific fragments= 1 total=1147 Number of alignments=276 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-simpleSW-adpstyle1.pw.a2m.gz # 1i5nA read from T0187-1i5nA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1i5nA in template set T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGG 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 Number of specific fragments= 1 total=1148 Number of alignments=277 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-simpleSW-adpstyle5.pw.a2m.gz # 1i5nA read from T0187-1i5nA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1i5nA in template set T0187 64 :SIEEINTVRKHLSQVKGG 1i5nA 36 :DAEQLNAIFRAAHSIKGG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.18904 Ang R10.CZ and S14.OG other bump:1.0351 Ang R10.NH1 and S14.OG other bump:2.413 Ang R10.NH1 and S14.CB other bump:2.81991 Ang S2.OG and E5.CD Number of specific fragments= 1 total=1149 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-vit-adpstyle1.pw.a2m.gz # 1i5nA read from T0187-1i5nA-vit-adpstyle1.pw.a2m.gz # found chain 1i5nA in template set T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQVKGG 1i5nA 20 :LADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.18904 Ang R26.CZ and S30.OG other bump:1.0351 Ang R26.NH1 and S30.OG other bump:2.413 Ang R26.NH1 and S30.CB other bump:2.25397 Ang I5.CD1 and H28.NE2 other bump:2.47812 Ang G1.C and H28.NE2 other bump:2.58625 Ang G1.O and H28.CE1 other bump:2.11306 Ang G1.C and H28.CE1 other bump:2.63885 Ang L2.N and H28.CE1 other bump:2.66726 Ang G1.C and H28.ND1 other bump:2.24876 Ang I5.CG1 and H28.CD2 other bump:1.2472 Ang I5.CD1 and H28.CD2 other bump:2.71562 Ang I5.CG1 and H28.CG other bump:2.34656 Ang I5.CD1 and H28.CG other bump:3.28392 Ang G1.C and H28.CG other bump:2.35501 Ang L8.CD2 and T24.CG2 other bump:2.96676 Ang L8.CD2 and T24.CB other bump:2.86105 Ang A17.CB and I22.CD1 Number of specific fragments= 1 total=1150 Number of alignments=278 # Reading fragments from alignment file # T0187 read from T0187-1i5nA-vit-adpstyle5.pw.a2m.gz # 1i5nA read from T0187-1i5nA-vit-adpstyle5.pw.a2m.gz # found chain 1i5nA in template set T0187 47 :SLEEIQKLTSALLKSGASIEEINTVRKHLSQVKGGR 1i5nA 19 :LLADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGGA Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.18904 Ang R27.CZ and S31.OG other bump:1.0351 Ang R27.NH1 and S31.OG other bump:2.413 Ang R27.NH1 and S31.CB other bump:2.86875 Ang S2.CB and H29.NE2 other bump:2.25397 Ang I6.CD1 and H29.NE2 other bump:2.47812 Ang S2.C and H29.NE2 other bump:1.55131 Ang S2.CB and H29.CE1 other bump:2.22119 Ang S2.CA and H29.CE1 other bump:2.58625 Ang S2.O and H29.CE1 other bump:2.11306 Ang S2.C and H29.CE1 other bump:2.63885 Ang L3.N and H29.CE1 other bump:1.64367 Ang S2.CB and H29.ND1 other bump:2.5536 Ang S2.OG and H29.ND1 other bump:2.4146 Ang S2.CA and H29.ND1 other bump:2.66726 Ang S2.C and H29.ND1 other bump:2.24876 Ang I6.CG1 and H29.CD2 other bump:1.2472 Ang I6.CD1 and H29.CD2 other bump:3.0136 Ang S2.CB and H29.CG other bump:2.71562 Ang I6.CG1 and H29.CG other bump:2.34656 Ang I6.CD1 and H29.CG other bump:3.28392 Ang S2.C and H29.CG other bump:2.35501 Ang L9.CD2 and T25.CG2 other bump:2.96676 Ang L9.CD2 and T25.CB other bump:2.86105 Ang A18.CB and I23.CD1 Number of specific fragments= 1 total=1151 Number of alignments=279 # Prefix for input files set to 1mroB/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1mroB-T0187-fssp-global-adpstyle1.pw.a2m.gz # 1mroB read from 1mroB-T0187-fssp-global-adpstyle1.pw.a2m.gz # found chain 1mroB in template set T0187 1 :PVPDENTIKTTRRVLELVDQL 1mroB 72 :RELDLDIVGNAESIAAAAKEM Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.92743 Ang I8.CA and T11.CG2 other bump:2.84955 Ang N6.ND2 and K9.CE other bump:3.00621 Ang N6.CG and K9.CD other bump:1.74735 Ang N6.ND2 and K9.CD other bump:2.41947 Ang N6.ND2 and K9.CG other bump:2.4443 Ang N6.CG and K9.CB other bump:2.45797 Ang N6.OD1 and K9.CB other bump:2.24287 Ang N6.ND2 and K9.CB other bump:2.44288 Ang P1.O and P3.CD neighbor-bump: 2.0436 Ang V2.C and P3.CD neighbor-bump: 2.8253 Ang V2.C and P3.CG T0187 22 :NENDTVLFLLSGGGSSLFELPLEGVSLE 1mroB 97 :EDDDTNVELLGGGKRALVQVPSARFDVA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:3.08809 Ang S17.CB and F19.CE2 other bump:2.13388 Ang L8.CD2 and F19.CE1 other bump:1.74125 Ang L8.CD2 and F19.CD1 neighbor-bump: 2.60045 Ang L11.C and S12.CB other bump:2.02219 Ang N4.ND2 and T6.OG1 other bump:1.93291 Ang G1.O and N4.OD1 T0187 50 :EIQKLTSALLKSGASI 1mroB 147 :DVSMYDANMVKAAVLG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 2.15149 Ang I17.CG2 and G18.N self-bump: 2.42899 Ang I17.CG2 and I17.C self-bump: 1.34909 Ang I17.CA and I17.CB other bump:1.86773 Ang I3.CD1 and L11.CD1 T0187 66 :EEINTVRKHLSQVKGGRFAERVFPAKVVALVLSD 1mroB 173 :ANIATMLDIPQKLEGPGYALRNIMVNHVVAATLK Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.55846 Ang P25.CG and V28.CG2 other bump:2.62198 Ang R8.CB and F24.CZ other bump:1.94128 Ang R8.CG and F24.CZ other bump:2.57522 Ang R8.CA and F24.CZ other bump:2.61352 Ang R8.CB and F24.CE2 other bump:2.39676 Ang R8.CG and F24.CE2 other bump:1.91697 Ang R8.N and F24.CE2 other bump:2.56276 Ang V7.O and F24.CE2 other bump:1.89899 Ang R8.CA and F24.CE2 other bump:2.31087 Ang V7.C and F24.CE2 other bump:2.57826 Ang R8.N and F24.CD2 other bump:2.7263 Ang V7.CG1 and F24.CD2 other bump:1.85581 Ang V7.O and F24.CD2 other bump:2.83065 Ang R8.CA and F24.CD2 other bump:3.27083 Ang V7.CA and F24.CD2 other bump:2.16135 Ang V7.C and F24.CD2 other bump:2.93131 Ang V14.CG1 and F19.CB other bump:3.03117 Ang V14.CG1 and G16.C other bump:1.97809 Ang V14.CG1 and G16.O T0187 103 :DRLDVIASGPAWPDSSTSE 1mroB 207 :NTLQAAALSTILEQTAMFE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.51941 Ang I7.O and P11.CD other bump:2.66508 Ang I7.C and P11.CD other bump:3.11917 Ang A8.C and P11.CD other bump:1.9285 Ang I7.O and P11.CG other bump:3.08029 Ang I7.C and P11.CG T0187 122 :DALKVLEKYGI 1mroB 271 :DLVERALEDGV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.94068 Ang L7.CB and I12.CD1 other bump:2.69011 Ang L7.CG and I12.CD1 other bump:1.72755 Ang L7.CD2 and I12.CD1 other bump:2.95988 Ang L7.CD2 and I12.CG1 other bump:2.89509 Ang V6.CG1 and Y10.CE2 other bump:2.54137 Ang V6.O and Y10.CD2 T0187 133 :ETSESVKRAILQ 1mroB 410 :ATSGLIKEVFSQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.51885 Ang K8.CG and L12.CD1 other bump:2.6933 Ang V7.CG2 and I11.CD1 T0187 145 :ETPKH 1mroB 438 :EIKNE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 8 total=1159 Number of alignments=280 # Reading fragments from alignment file # T0187 read from 1mroB-T0187-fssp-global-adpstyle5.pw.a2m.gz # 1mroB read from 1mroB-T0187-fssp-global-adpstyle5.pw.a2m.gz # found chain 1mroB in template set T0187 1 :P 1mroB 2 :A Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0187 2 :VP 1mroB 4 :FE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 4 :DENTIKTTRR 1mroB 75 :DLDIVGNAES Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.92743 Ang I6.CA and T9.CG2 other bump:2.84955 Ang N4.ND2 and K7.CE other bump:3.00621 Ang N4.CG and K7.CD other bump:1.74735 Ang N4.ND2 and K7.CD other bump:2.41947 Ang N4.ND2 and K7.CG other bump:2.4443 Ang N4.CG and K7.CB other bump:2.45797 Ang N4.OD1 and K7.CB other bump:2.24287 Ang N4.ND2 and K7.CB T0187 14 :VLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLE 1mroB 89 :AKEMIQVTEDDDTNVELLGGGKRALVQVPSARFDVA Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:1.2289 Ang Q8.CB and E32.OE2 other bump:1.8848 Ang Q8.CD and E32.OE2 other bump:2.16513 Ang Q8.OE1 and E32.OE2 other bump:1.66514 Ang Q8.CG and E32.OE2 other bump:2.56089 Ang Q8.CA and E32.OE2 other bump:2.43171 Ang Q8.CB and E32.CD other bump:1.79782 Ang Q8.CD and E32.CD other bump:1.58757 Ang Q8.OE1 and E32.CD other bump:2.48256 Ang Q8.CG and E32.CD other bump:2.59751 Ang Q8.NE2 and E32.CG other bump:1.72744 Ang Q8.CD and E32.CG other bump:0.58984 Ang Q8.OE1 and E32.CG other bump:2.88444 Ang Q8.CG and E32.CG other bump:2.98456 Ang Q8.CD and E32.CB other bump:2.02833 Ang Q8.OE1 and E32.CB other bump:2.90447 Ang Q8.OE1 and E32.CA other bump:2.31893 Ang V6.CG2 and L29.CD2 other bump:3.08809 Ang S25.CB and F27.CE2 other bump:2.13388 Ang L16.CD2 and F27.CE1 other bump:1.74125 Ang L16.CD2 and F27.CD1 neighbor-bump: 2.60045 Ang L19.C and S20.CB other bump:2.8061 Ang L3.N and L16.CD1 other bump:2.54427 Ang L3.CA and L16.CD1 other bump:2.37242 Ang L3.CB and L16.CD1 other bump:2.85827 Ang L3.CD1 and L16.CD1 other bump:2.72278 Ang L3.CD1 and L16.CG other bump:2.02218 Ang N12.ND2 and T14.OG1 other bump:2.77986 Ang L3.CD1 and T14.CG2 other bump:1.93291 Ang L9.O and N12.OD1 other bump:2.27788 Ang E4.O and D7.OD1 other bump:2.58024 Ang E4.C and D7.OD1 other bump:2.24067 Ang L3.O and D7.OD1 T0187 50 :EIQKLTSALLK 1mroB 152 :DANMVKAAVLG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.43268 Ang K12.CB and G13.N neighbor-bump: 1.96192 Ang L11.O and K12.CG neighbor-bump: 2.53003 Ang L11.C and K12.CG neighbor-bump: 1.83344 Ang L11.O and K12.CB neighbor-bump: 2.37842 Ang L11.C and K12.CB T0187 61 :SGASIEEINTVRKHLSQVK 1mroB 171 :MGANIATMLDIPQKLEGPG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 2.93715 Ang V19.CG1 and K20.CA neighbor-bump: 2.46432 Ang V19.CB and K20.N neighbor-bump: 1.80147 Ang V19.CG1 and K20.N self-bump: 2.21418 Ang V19.CB and V19.C self-bump: 2.31625 Ang V19.CG1 and V19.C self-bump: 1.30431 Ang V19.CA and V19.CB other bump:2.7579 Ang V12.CG1 and H15.CD2 T0187 83 :FAERVFP 1mroB 190 :YALRNIM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 90 :AKVVALVLSDVLGDRL 1mroB 266 :GSVIADLVERALEDGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 106 :DVIASGPAWPDSSTSEDA 1mroB 317 :NQGAARAAQGVSSTLLYY Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.93596 Ang V3.CG2 and D12.OD2 other bump:3.0513 Ang V3.CG2 and D12.CG other bump:2.93222 Ang A9.C and P11.CD neighbor-bump: 2.34786 Ang W10.N and P11.CD neighbor-bump: 2.42059 Ang W10.CA and P11.CD neighbor-bump: 2.10608 Ang W10.C and P11.CD self-bump: 1.30806 Ang P11.N and P11.CD neighbor-bump: 2.96006 Ang W10.CE2 and P11.CG self-bump: 2.16641 Ang P11.N and P11.CG other bump:2.73944 Ang S6.CB and P8.CD other bump:2.74689 Ang S6.OG and P8.CD neighbor-bump: 1.93327 Ang G7.C and P8.CD other bump:2.7519 Ang S6.CA and P8.CD other bump:1.74714 Ang S6.O and P8.CD other bump:1.74498 Ang S6.C and P8.CD neighbor-bump: 2.18182 Ang G7.N and P8.CD other bump:2.66304 Ang S6.CB and P8.CG other bump:2.54351 Ang S6.O and P8.CG other bump:2.84942 Ang S6.C and P8.CG T0187 124 :LKVLEK 1mroB 372 :PGIFNG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 130 :YGIE 1mroB 406 :FSPE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 134 :TSESVKRAI 1mroB 411 :TSGLIKEVF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69331 Ang V6.CG2 and I10.CD1 T0187 143 :LQETPKH 1mroB 436 :AAEIKNE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 13 total=1172 Number of alignments=281 # Reading fragments from alignment file # T0187 read from 1mroB-T0187-local-adpstyle1.pw.a2m.gz # 1mroB read from 1mroB-T0187-local-adpstyle1.pw.a2m.gz # found chain 1mroB in template set T0187 12 :RRVLELVDQLNENDTVLFLLSGGGSSLFELP 1mroB 87 :AAAKEMIQVTEDDDTNVELLGGGKRALVQVP Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.31893 Ang V8.CG2 and L31.CD2 other bump:3.08809 Ang S27.CB and F29.CE2 other bump:2.13388 Ang L18.CD2 and F29.CE1 other bump:1.74125 Ang L18.CD2 and F29.CD1 neighbor-bump: 2.60045 Ang L21.C and S22.CB other bump:2.85827 Ang L5.CD1 and L18.CD1 other bump:2.8061 Ang L5.N and L18.CD1 other bump:2.54427 Ang L5.CA and L18.CD1 other bump:2.37242 Ang L5.CB and L18.CD1 other bump:2.72279 Ang L5.CD1 and L18.CG other bump:2.02218 Ang N14.ND2 and T16.OG1 other bump:2.77985 Ang L5.CD1 and T16.CG2 other bump:1.93291 Ang L11.O and N14.OD1 other bump:2.27788 Ang E6.O and D9.OD1 other bump:2.24067 Ang L5.O and D9.OD1 other bump:2.58024 Ang E6.C and D9.OD1 other bump:1.72393 Ang R3.NH1 and E6.OE1 other bump:2.53344 Ang R2.NH1 and L5.CD2 Number of specific fragments= 1 total=1173 Number of alignments=282 # Reading fragments from alignment file # T0187 read from 1mroB-T0187-local-adpstyle5.pw.a2m.gz # 1mroB read from 1mroB-T0187-local-adpstyle5.pw.a2m.gz # found chain 1mroB in template set T0187 11 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSL 1mroB 86 :AAAAKEMIQVTEDDDTNVELLGGGKRALVQVPSARFDV Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:1.2289 Ang Q11.CB and E35.OE2 other bump:1.8848 Ang Q11.CD and E35.OE2 other bump:2.16513 Ang Q11.OE1 and E35.OE2 other bump:1.66514 Ang Q11.CG and E35.OE2 other bump:2.56089 Ang Q11.CA and E35.OE2 other bump:2.43171 Ang Q11.CB and E35.CD other bump:1.79782 Ang Q11.CD and E35.CD other bump:1.58757 Ang Q11.OE1 and E35.CD other bump:2.48256 Ang Q11.CG and E35.CD other bump:1.72744 Ang Q11.CD and E35.CG other bump:0.58984 Ang Q11.OE1 and E35.CG other bump:2.59751 Ang Q11.NE2 and E35.CG other bump:2.88444 Ang Q11.CG and E35.CG other bump:2.98456 Ang Q11.CD and E35.CB other bump:2.02833 Ang Q11.OE1 and E35.CB other bump:2.90447 Ang Q11.OE1 and E35.CA other bump:2.31893 Ang V9.CG2 and L32.CD2 other bump:3.08809 Ang S28.CB and F30.CE2 other bump:2.13388 Ang L19.CD2 and F30.CE1 other bump:1.74125 Ang L19.CD2 and F30.CD1 neighbor-bump: 2.60045 Ang L22.C and S23.CB other bump:2.8061 Ang L6.N and L19.CD1 other bump:2.54427 Ang L6.CA and L19.CD1 other bump:2.37241 Ang L6.CB and L19.CD1 other bump:2.85827 Ang L6.CD1 and L19.CD1 other bump:2.72278 Ang L6.CD1 and L19.CG other bump:2.02218 Ang N15.ND2 and T17.OG1 other bump:2.77985 Ang L6.CD1 and T17.CG2 other bump:1.93291 Ang L12.O and N15.OD1 other bump:2.27788 Ang E7.O and D10.OD1 other bump:2.58024 Ang E7.C and D10.OD1 other bump:2.24067 Ang L6.O and D10.OD1 other bump:1.72392 Ang R4.NH1 and E7.OE1 other bump:2.53344 Ang R3.NH1 and L6.CD2 T0187 51 :IQKLTSALLKSGASIEE 1mroB 124 :AAEYSAAPLVTATAFVQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues neighbor-bump: 2.38576 Ang K4.CB and L5.N Number of specific fragments= 2 total=1175 Number of alignments=283 # Reading fragments from alignment file # T0187 read from 1mroB-T0187-vit-adpstyle1.pw.a2m.gz # 1mroB read from 1mroB-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1mroB in template set T0187 12 :RRVLELVDQLNENDTVLFLLSGGGSSLFELP 1mroB 87 :AAAKEMIQVTEDDDTNVELLGGGKRALVQVP Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.31893 Ang V8.CG2 and L31.CD2 other bump:3.08809 Ang S27.CB and F29.CE2 other bump:2.13388 Ang L18.CD2 and F29.CE1 other bump:1.74125 Ang L18.CD2 and F29.CD1 neighbor-bump: 2.60045 Ang L21.C and S22.CB other bump:2.85827 Ang L5.CD1 and L18.CD1 other bump:2.8061 Ang L5.N and L18.CD1 other bump:2.54427 Ang L5.CA and L18.CD1 other bump:2.37242 Ang L5.CB and L18.CD1 other bump:2.72279 Ang L5.CD1 and L18.CG other bump:2.02218 Ang N14.ND2 and T16.OG1 other bump:2.77985 Ang L5.CD1 and T16.CG2 other bump:1.93291 Ang L11.O and N14.OD1 other bump:2.27788 Ang E6.O and D9.OD1 other bump:2.24067 Ang L5.O and D9.OD1 other bump:2.58024 Ang E6.C and D9.OD1 other bump:1.72393 Ang R3.NH1 and E6.OE1 other bump:2.53344 Ang R2.NH1 and L5.CD2 Number of specific fragments= 1 total=1176 Number of alignments=284 # Reading fragments from alignment file # T0187 read from 1mroB-T0187-vit-adpstyle5.pw.a2m.gz # 1mroB read from 1mroB-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1mroB in template set T0187 11 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSL 1mroB 86 :AAAAKEMIQVTEDDDTNVELLGGGKRALVQVPSARFDV Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:1.2289 Ang Q11.CB and E35.OE2 other bump:1.8848 Ang Q11.CD and E35.OE2 other bump:2.16513 Ang Q11.OE1 and E35.OE2 other bump:1.66514 Ang Q11.CG and E35.OE2 other bump:2.56089 Ang Q11.CA and E35.OE2 other bump:2.43171 Ang Q11.CB and E35.CD other bump:1.79782 Ang Q11.CD and E35.CD other bump:1.58757 Ang Q11.OE1 and E35.CD other bump:2.48256 Ang Q11.CG and E35.CD other bump:1.72744 Ang Q11.CD and E35.CG other bump:0.58984 Ang Q11.OE1 and E35.CG other bump:2.59751 Ang Q11.NE2 and E35.CG other bump:2.88444 Ang Q11.CG and E35.CG other bump:2.98456 Ang Q11.CD and E35.CB other bump:2.02833 Ang Q11.OE1 and E35.CB other bump:2.90447 Ang Q11.OE1 and E35.CA other bump:2.31893 Ang V9.CG2 and L32.CD2 other bump:3.08809 Ang S28.CB and F30.CE2 other bump:2.13388 Ang L19.CD2 and F30.CE1 other bump:1.74125 Ang L19.CD2 and F30.CD1 neighbor-bump: 2.60045 Ang L22.C and S23.CB other bump:2.8061 Ang L6.N and L19.CD1 other bump:2.54427 Ang L6.CA and L19.CD1 other bump:2.37241 Ang L6.CB and L19.CD1 other bump:2.85827 Ang L6.CD1 and L19.CD1 other bump:2.72278 Ang L6.CD1 and L19.CG other bump:2.02218 Ang N15.ND2 and T17.OG1 other bump:2.77985 Ang L6.CD1 and T17.CG2 other bump:1.93291 Ang L12.O and N15.OD1 other bump:2.27788 Ang E7.O and D10.OD1 other bump:2.58024 Ang E7.C and D10.OD1 other bump:2.24067 Ang L6.O and D10.OD1 other bump:1.72392 Ang R4.NH1 and E7.OE1 other bump:2.53344 Ang R3.NH1 and L6.CD2 T0187 51 :IQKLTSALLKSGASIEE 1mroB 124 :AAEYSAAPLVTATAFVQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues neighbor-bump: 2.38576 Ang K4.CB and L5.N Number of specific fragments= 2 total=1178 Number of alignments=285 # Reading fragments from alignment file # T0187 read from T0187-1mroB-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1mroB read from T0187-1mroB-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1mroB in template set T0187 1 :PVPDE 1mroB 2 :AKFED Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.61685 Ang V2.N and P3.CD neighbor-bump: 2.34288 Ang V2.CG2 and P3.CD T0187 6 :NTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVS 1mroB 81 :NAESIAAAAKEMIQVTEDDDTNVELLGGGKRALVQVPSARFD Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.56089 Ang Q16.CA and E40.OE2 other bump:1.2289 Ang Q16.CB and E40.OE2 other bump:1.66514 Ang Q16.CG and E40.OE2 other bump:1.8848 Ang Q16.CD and E40.OE2 other bump:2.16513 Ang Q16.OE1 and E40.OE2 other bump:2.43171 Ang Q16.CB and E40.CD other bump:2.48256 Ang Q16.CG and E40.CD other bump:1.79782 Ang Q16.CD and E40.CD other bump:1.58757 Ang Q16.OE1 and E40.CD other bump:2.59751 Ang Q16.NE2 and E40.CG other bump:2.88444 Ang Q16.CG and E40.CG other bump:1.72744 Ang Q16.CD and E40.CG other bump:0.58984 Ang Q16.OE1 and E40.CG other bump:2.98456 Ang Q16.CD and E40.CB other bump:2.02833 Ang Q16.OE1 and E40.CB other bump:2.90447 Ang Q16.OE1 and E40.CA other bump:2.31893 Ang V14.CG2 and L37.CD2 other bump:3.08809 Ang S33.CB and F35.CE2 other bump:2.13388 Ang L24.CD2 and F35.CE1 other bump:1.74125 Ang L24.CD2 and F35.CD1 neighbor-bump: 2.60045 Ang L27.C and S28.CB other bump:2.85827 Ang L11.CD1 and L24.CD1 other bump:2.54427 Ang L11.CA and L24.CD1 other bump:2.37242 Ang L11.CB and L24.CD1 other bump:2.8061 Ang L11.N and L24.CD1 other bump:2.72278 Ang L11.CD1 and L24.CG other bump:2.02218 Ang N20.ND2 and T22.OG1 other bump:2.77986 Ang L11.CD1 and T22.CG2 other bump:1.93291 Ang L17.O and N20.OD1 other bump:2.27788 Ang E12.O and D15.OD1 other bump:2.24067 Ang L11.O and D15.OD1 other bump:2.58024 Ang E12.C and D15.OD1 other bump:1.72392 Ang R9.NH1 and E12.OE1 other bump:2.53343 Ang R8.NH1 and L11.CD2 T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLS 1mroB 133 :VTATAFVQAIINEFDVSMYDANMVKAAVL Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.81784 Ang E4.CD and S30.OG other bump:1.73661 Ang E4.OE2 and S30.OG other bump:2.60245 Ang R26.NE and S30.OG other bump:1.67415 Ang R26.CZ and S30.OG other bump:0.795793 Ang R26.NH1 and S30.OG other bump:2.50951 Ang R26.NH2 and S30.OG other bump:2.26956 Ang E4.CD and S30.CB other bump:2.33151 Ang E4.OE1 and S30.CB other bump:1.81011 Ang E4.OE2 and S30.CB other bump:2.74391 Ang R26.CZ and S30.CB other bump:2.12511 Ang R26.NH1 and S30.CB other bump:3.05562 Ang R26.NH2 and S30.CB other bump:2.82912 Ang E4.CA and L29.CD2 other bump:2.62041 Ang E4.CG and L29.CD2 other bump:2.39876 Ang E4.O and L29.CD2 other bump:2.90008 Ang E4.C and L29.CD2 other bump:2.51287 Ang T24.O and H28.CD2 other bump:2.32903 Ang E4.OE2 and R26.NH1 other bump:2.20737 Ang E4.OE2 and R26.CZ other bump:3.01523 Ang L8.CD1 and V25.C other bump:2.50033 Ang L8.CD1 and V25.CG1 other bump:2.87677 Ang L8.CD1 and V25.CB other bump:2.00932 Ang L12.CD1 and I22.CD1 other bump:2.66691 Ang L12.CB and I22.CD1 other bump:1.58101 Ang L12.CG and I22.CD1 other bump:0.799742 Ang L12.CD2 and I22.CD1 other bump:1.92516 Ang L12.CD1 and I22.CG1 other bump:2.55808 Ang L12.CG and I22.CG1 other bump:2.29439 Ang L12.CD2 and I22.CG1 other bump:3.01963 Ang L12.CD2 and A17.CB T0187 81 :GRFAERV 1mroB 162 :GRYPQSV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 88 :FPAKVV 1mroB 171 :MGANIA Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 1.625 Ang F2.CA and P3.CD neighbor-bump: 0.868305 Ang F2.C and P3.CD self-bump: 1.29804 Ang P3.N and P3.CD neighbor-bump: 2.32991 Ang F2.CB and P3.CD neighbor-bump: 2.48759 Ang F2.CG and P3.CD neighbor-bump: 2.89603 Ang F2.CD1 and P3.CD neighbor-bump: 1.83372 Ang F2.O and P3.CD neighbor-bump: 2.93838 Ang F2.CA and P3.CG neighbor-bump: 1.84394 Ang F2.C and P3.CG self-bump: 2.15385 Ang P3.N and P3.CG neighbor-bump: 3.02826 Ang F2.CB and P3.CG neighbor-bump: 2.62298 Ang F2.CG and P3.CG neighbor-bump: 2.66703 Ang F2.CD2 and P3.CG neighbor-bump: 1.80601 Ang F2.O and P3.CG neighbor-bump: 2.26001 Ang F2.C and P3.CB neighbor-bump: 1.87534 Ang F2.O and P3.CB T0187 101 :LGDRLDVIASGPAWPDSSTSEDALKVLEKYGIETSESVKRAILQETPKHL 1mroB 177 :TMLDIPQKLEGPGYALRNIMVNHVVAATLKNTLQAAALSTILEQTAMFEM Fragment has 45 clashes (null) has 45 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 51 residues other bump:2.26194 Ang A14.CB and L51.CD2 other bump:3.19564 Ang A14.CA and L51.CD2 other bump:3.10096 Ang A14.C and L51.CD2 other bump:2.48147 Ang P13.O and L51.CD2 other bump:3.13217 Ang A14.CB and L51.CG other bump:3.18986 Ang A14.CB and L51.CA other bump:2.40836 Ang A14.CA and H50.NE2 other bump:3.10694 Ang A14.CB and H50.CD2 other bump:2.20075 Ang A14.CA and H50.CD2 other bump:2.59405 Ang A14.O and H50.CD2 other bump:2.67089 Ang A14.C and H50.CD2 neighbor-bump: 2.57615 Ang T47.N and P48.CD other bump:2.95772 Ang Q45.CA and P48.CD other bump:2.55531 Ang Q45.O and P48.CD other bump:2.60886 Ang Q45.C and P48.CD other bump:1.79386 Ang L44.O and P48.CD other bump:2.80832 Ang L44.C and P48.CD other bump:2.89172 Ang Q45.CA and P48.CG other bump:3.13055 Ang Q45.C and P48.CG other bump:2.2178 Ang L44.O and P48.CG other bump:3.11617 Ang L44.C and P48.CG other bump:2.32212 Ang D17.O and I43.CG2 other bump:2.49303 Ang L25.CD2 and K40.CE other bump:2.3845 Ang L25.CD2 and K40.CD other bump:1.4688 Ang L25.CD2 and K40.CG other bump:2.98104 Ang L25.CG and K40.CG other bump:2.72745 Ang L25.CD2 and K40.CB other bump:3.14402 Ang E29.CD and V39.CG2 other bump:2.55668 Ang L25.CD1 and V39.CG1 other bump:2.69696 Ang L25.CD1 and V39.CB other bump:2.61518 Ang E29.CD and T35.CG2 other bump:1.49526 Ang E29.OE1 and T35.CG2 other bump:2.83422 Ang E29.OE1 and T35.CB other bump:2.08287 Ang P16.O and S19.OG other bump:2.94099 Ang W15.CE3 and S18.OG other bump:2.77302 Ang A14.C and P16.CD neighbor-bump: 2.44263 Ang W15.N and P16.CD other bump:3.13025 Ang G12.CA and W15.NE1 other bump:2.43746 Ang G12.O and W15.CD1 other bump:2.59206 Ang G12.C and W15.CD1 other bump:2.66149 Ang G12.N and W15.CD1 other bump:2.63508 Ang G12.CA and W15.CD1 neighbor-bump: 2.14849 Ang P13.O and A14.CB neighbor-bump: 2.45815 Ang P13.C and A14.CB other bump:3.31405 Ang R5.CD and I9.CG2 Number of specific fragments= 6 total=1184 Number of alignments=286 # Reading fragments from alignment file # T0187 read from T0187-1mroB-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1mroB read from T0187-1mroB-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1mroB in template set T0187 1 :PVPD 1mroB 2 :AKFE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.34288 Ang V2.CG2 and P3.CD neighbor-bump: 2.61685 Ang V2.N and P3.CD T0187 11 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVS 1mroB 86 :AAAAKEMIQVTEDDDTNVELLGGGKRALVQVPSARFD Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:1.2289 Ang Q11.CB and E35.OE2 other bump:1.8848 Ang Q11.CD and E35.OE2 other bump:2.16513 Ang Q11.OE1 and E35.OE2 other bump:1.66514 Ang Q11.CG and E35.OE2 other bump:2.56089 Ang Q11.CA and E35.OE2 other bump:2.43171 Ang Q11.CB and E35.CD other bump:1.79782 Ang Q11.CD and E35.CD other bump:1.58757 Ang Q11.OE1 and E35.CD other bump:2.48256 Ang Q11.CG and E35.CD other bump:1.72744 Ang Q11.CD and E35.CG other bump:0.58984 Ang Q11.OE1 and E35.CG other bump:2.59751 Ang Q11.NE2 and E35.CG other bump:2.88444 Ang Q11.CG and E35.CG other bump:2.98456 Ang Q11.CD and E35.CB other bump:2.02833 Ang Q11.OE1 and E35.CB other bump:2.90447 Ang Q11.OE1 and E35.CA other bump:2.31893 Ang V9.CG2 and L32.CD2 other bump:3.08809 Ang S28.CB and F30.CE2 other bump:2.13388 Ang L19.CD2 and F30.CE1 other bump:1.74125 Ang L19.CD2 and F30.CD1 neighbor-bump: 2.60045 Ang L22.C and S23.CB other bump:2.8061 Ang L6.N and L19.CD1 other bump:2.54427 Ang L6.CA and L19.CD1 other bump:2.37241 Ang L6.CB and L19.CD1 other bump:2.85827 Ang L6.CD1 and L19.CD1 other bump:2.72278 Ang L6.CD1 and L19.CG other bump:2.02218 Ang N15.ND2 and T17.OG1 other bump:2.77985 Ang L6.CD1 and T17.CG2 other bump:1.93291 Ang L12.O and N15.OD1 other bump:2.27788 Ang E7.O and D10.OD1 other bump:2.58024 Ang E7.C and D10.OD1 other bump:2.24067 Ang L6.O and D10.OD1 other bump:1.72392 Ang R4.NH1 and E7.OE1 other bump:2.53344 Ang R3.NH1 and L6.CD2 T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQV 1mroB 133 :VTATAFVQAIINEFDVSMYDANMVKAAVLGR Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:3.01718 Ang Q31.CG and G33.N neighbor-bump: 2.1098 Ang S30.O and Q31.OE1 neighbor-bump: 1.82156 Ang S30.O and Q31.CD neighbor-bump: 1.16697 Ang S30.O and Q31.CG neighbor-bump: 2.20953 Ang S30.C and Q31.CG neighbor-bump: 1.88072 Ang S30.O and Q31.CB neighbor-bump: 2.37863 Ang S30.C and Q31.CB other bump:2.20446 Ang E4.CG and S30.OG other bump:0.955063 Ang E4.CD and S30.OG other bump:1.58443 Ang E4.OE1 and S30.OG other bump:1.02921 Ang E4.OE2 and S30.OG other bump:3.04559 Ang R26.CZ and S30.OG other bump:2.28529 Ang E4.CD and S30.CB other bump:2.47262 Ang E4.OE1 and S30.CB other bump:1.7003 Ang E4.OE2 and S30.CB other bump:2.97907 Ang R26.NH2 and S30.CB other bump:2.57032 Ang R26.CZ and S30.CB other bump:1.90912 Ang R26.NH1 and S30.CB other bump:2.82912 Ang E4.CA and L29.CD2 other bump:2.62041 Ang E4.CG and L29.CD2 other bump:2.39876 Ang E4.O and L29.CD2 other bump:2.90008 Ang E4.C and L29.CD2 other bump:2.51287 Ang T24.O and H28.CD2 other bump:2.32903 Ang E4.OE2 and R26.NH1 other bump:2.20737 Ang E4.OE2 and R26.CZ other bump:3.01523 Ang L8.CD1 and V25.C other bump:2.50033 Ang L8.CD1 and V25.CG1 other bump:2.87677 Ang L8.CD1 and V25.CB other bump:2.00932 Ang L12.CD1 and I22.CD1 other bump:2.66691 Ang L12.CB and I22.CD1 other bump:1.58101 Ang L12.CG and I22.CD1 other bump:0.799742 Ang L12.CD2 and I22.CD1 other bump:1.92516 Ang L12.CD1 and I22.CG1 other bump:2.55808 Ang L12.CG and I22.CG1 other bump:2.29439 Ang L12.CD2 and I22.CG1 other bump:3.01963 Ang L12.CD2 and A17.CB T0187 83 :FAER 1mroB 164 :YPQS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 87 :VFPAKVVA 1mroB 170 :YMGANIAT Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.99788 Ang V2.CG1 and A5.CB neighbor-bump: 1.625 Ang F3.CA and P4.CD neighbor-bump: 2.30917 Ang F3.CB and P4.CD neighbor-bump: 0.868299 Ang F3.C and P4.CD neighbor-bump: 2.54186 Ang F3.CG and P4.CD neighbor-bump: 1.83372 Ang F3.O and P4.CD self-bump: 1.29804 Ang P4.N and P4.CD neighbor-bump: 2.93838 Ang F3.CA and P4.CG neighbor-bump: 1.84394 Ang F3.C and P4.CG neighbor-bump: 2.81787 Ang F3.CD2 and P4.CG neighbor-bump: 1.80601 Ang F3.O and P4.CG self-bump: 2.15385 Ang P4.N and P4.CG neighbor-bump: 2.26001 Ang F3.C and P4.CB neighbor-bump: 1.87535 Ang F3.O and P4.CB T0187 102 :GDRLDVIASGPAWP 1mroB 178 :MLDIPQKLEGPGYA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.77303 Ang A13.C and P15.CD neighbor-bump: 2.44263 Ang W14.N and P15.CD other bump:3.13025 Ang G11.CA and W14.NE1 other bump:2.66149 Ang G11.N and W14.CD1 other bump:2.63508 Ang G11.CA and W14.CD1 other bump:2.43746 Ang G11.O and W14.CD1 other bump:2.59206 Ang G11.C and W14.CD1 neighbor-bump: 2.14849 Ang P12.O and A13.CB neighbor-bump: 2.45815 Ang P12.C and A13.CB other bump:3.31405 Ang R4.CD and I8.CG2 T0187 116 :DSSTSEDALKVLEKYGIE 1mroB 207 :NTLQAAALSTILEQTAMF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.66822 Ang V12.CG2 and Y16.CE1 other bump:2.12196 Ang V12.O and Y16.CD1 Number of specific fragments= 7 total=1191 Number of alignments=287 # Reading fragments from alignment file # T0187 read from T0187-1mroB-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1mroB read from T0187-1mroB-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1mroB in template set T0187 6 :NTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEG 1mroB 81 :NAESIAAAAKEMIQVTEDDDTNVELLGGGKRALVQVPSAR Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.66514 Ang Q16.CG and E40.OE2 other bump:1.8848 Ang Q16.CD and E40.OE2 other bump:2.16513 Ang Q16.OE1 and E40.OE2 other bump:2.56089 Ang Q16.CA and E40.OE2 other bump:1.2289 Ang Q16.CB and E40.OE2 other bump:2.48256 Ang Q16.CG and E40.CD other bump:1.79782 Ang Q16.CD and E40.CD other bump:1.58757 Ang Q16.OE1 and E40.CD other bump:2.43171 Ang Q16.CB and E40.CD other bump:2.88444 Ang Q16.CG and E40.CG other bump:1.72744 Ang Q16.CD and E40.CG other bump:0.58984 Ang Q16.OE1 and E40.CG other bump:2.59751 Ang Q16.NE2 and E40.CG other bump:2.98456 Ang Q16.CD and E40.CB other bump:2.02833 Ang Q16.OE1 and E40.CB other bump:2.90447 Ang Q16.OE1 and E40.CA other bump:2.31893 Ang V14.CG2 and L37.CD2 other bump:3.08809 Ang S33.CB and F35.CE2 other bump:2.13388 Ang L24.CD2 and F35.CE1 other bump:1.74125 Ang L24.CD2 and F35.CD1 neighbor-bump: 2.60045 Ang L27.C and S28.CB other bump:2.54427 Ang L11.CA and L24.CD1 other bump:2.85827 Ang L11.CD1 and L24.CD1 other bump:2.37242 Ang L11.CB and L24.CD1 other bump:2.8061 Ang L11.N and L24.CD1 other bump:2.72278 Ang L11.CD1 and L24.CG other bump:2.02218 Ang N20.ND2 and T22.OG1 other bump:2.77986 Ang L11.CD1 and T22.CG2 other bump:1.93291 Ang L17.O and N20.OD1 other bump:2.27788 Ang E12.O and D15.OD1 other bump:2.58024 Ang E12.C and D15.OD1 other bump:2.24067 Ang L11.O and D15.OD1 other bump:1.72392 Ang R9.NH1 and E12.OE1 other bump:2.53343 Ang R8.NH1 and L11.CD2 Number of specific fragments= 1 total=1192 Number of alignments=288 # Reading fragments from alignment file # T0187 read from T0187-1mroB-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1mroB read from T0187-1mroB-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1mroB in template set T0187 8 :IKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVS 1mroB 83 :ESIAAAAKEMIQVTEDDDTNVELLGGGKRALVQVPSARFD Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.2289 Ang Q14.CB and E38.OE2 other bump:1.8848 Ang Q14.CD and E38.OE2 other bump:2.16513 Ang Q14.OE1 and E38.OE2 other bump:2.56089 Ang Q14.CA and E38.OE2 other bump:1.66514 Ang Q14.CG and E38.OE2 other bump:2.43171 Ang Q14.CB and E38.CD other bump:1.79782 Ang Q14.CD and E38.CD other bump:1.58757 Ang Q14.OE1 and E38.CD other bump:2.48256 Ang Q14.CG and E38.CD other bump:2.59751 Ang Q14.NE2 and E38.CG other bump:1.72744 Ang Q14.CD and E38.CG other bump:0.58984 Ang Q14.OE1 and E38.CG other bump:2.88444 Ang Q14.CG and E38.CG other bump:2.98456 Ang Q14.CD and E38.CB other bump:2.02833 Ang Q14.OE1 and E38.CB other bump:2.90447 Ang Q14.OE1 and E38.CA other bump:2.31893 Ang V12.CG2 and L35.CD2 other bump:3.08809 Ang S31.CB and F33.CE2 other bump:2.13388 Ang L22.CD2 and F33.CE1 other bump:1.74125 Ang L22.CD2 and F33.CD1 neighbor-bump: 2.60045 Ang L25.C and S26.CB other bump:2.85827 Ang L9.CD1 and L22.CD1 other bump:2.8061 Ang L9.N and L22.CD1 other bump:2.54427 Ang L9.CA and L22.CD1 other bump:2.37241 Ang L9.CB and L22.CD1 other bump:2.72278 Ang L9.CD1 and L22.CG other bump:2.02218 Ang N18.ND2 and T20.OG1 other bump:2.77986 Ang L9.CD1 and T20.CG2 other bump:1.93291 Ang L15.O and N18.OD1 other bump:2.27788 Ang E10.O and D13.OD1 other bump:2.24067 Ang L9.O and D13.OD1 other bump:2.58024 Ang E10.C and D13.OD1 other bump:1.72392 Ang R7.NH1 and E10.OE1 other bump:2.53342 Ang R6.NH1 and L9.CD2 T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHL 1mroB 133 :VTATAFVQAIINEFDVSMYDANMVKAAV Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.82912 Ang E4.CA and L29.CD2 other bump:2.62041 Ang E4.CG and L29.CD2 other bump:2.39876 Ang E4.O and L29.CD2 other bump:2.90008 Ang E4.C and L29.CD2 other bump:2.51287 Ang T24.O and H28.CD2 other bump:2.32903 Ang E4.OE2 and R26.NH1 other bump:2.20737 Ang E4.OE2 and R26.CZ other bump:3.01523 Ang L8.CD1 and V25.C other bump:2.50033 Ang L8.CD1 and V25.CG1 other bump:2.87677 Ang L8.CD1 and V25.CB other bump:2.00932 Ang L12.CD1 and I22.CD1 other bump:2.66691 Ang L12.CB and I22.CD1 other bump:1.58101 Ang L12.CG and I22.CD1 other bump:0.799742 Ang L12.CD2 and I22.CD1 other bump:1.92516 Ang L12.CD1 and I22.CG1 other bump:2.55808 Ang L12.CG and I22.CG1 other bump:2.29439 Ang L12.CD2 and I22.CG1 other bump:3.01963 Ang L12.CD2 and A17.CB Number of specific fragments= 2 total=1194 Number of alignments=289 # Reading fragments from alignment file # T0187 read from T0187-1mroB-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1mroB read from T0187-1mroB-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1mroB in template set T0187 1 :PVPDE 1mroB 2 :AKFED Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.61685 Ang V2.N and P3.CD neighbor-bump: 2.34288 Ang V2.CG2 and P3.CD T0187 6 :NTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVS 1mroB 81 :NAESIAAAAKEMIQVTEDDDTNVELLGGGKRALVQVPSARFD Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.56089 Ang Q16.CA and E40.OE2 other bump:1.2289 Ang Q16.CB and E40.OE2 other bump:1.66514 Ang Q16.CG and E40.OE2 other bump:1.8848 Ang Q16.CD and E40.OE2 other bump:2.16513 Ang Q16.OE1 and E40.OE2 other bump:2.43171 Ang Q16.CB and E40.CD other bump:2.48256 Ang Q16.CG and E40.CD other bump:1.79782 Ang Q16.CD and E40.CD other bump:1.58757 Ang Q16.OE1 and E40.CD other bump:2.59751 Ang Q16.NE2 and E40.CG other bump:2.88444 Ang Q16.CG and E40.CG other bump:1.72744 Ang Q16.CD and E40.CG other bump:0.58984 Ang Q16.OE1 and E40.CG other bump:2.98456 Ang Q16.CD and E40.CB other bump:2.02833 Ang Q16.OE1 and E40.CB other bump:2.90447 Ang Q16.OE1 and E40.CA other bump:2.31893 Ang V14.CG2 and L37.CD2 other bump:3.08809 Ang S33.CB and F35.CE2 other bump:2.13388 Ang L24.CD2 and F35.CE1 other bump:1.74125 Ang L24.CD2 and F35.CD1 neighbor-bump: 2.60045 Ang L27.C and S28.CB other bump:2.85827 Ang L11.CD1 and L24.CD1 other bump:2.54427 Ang L11.CA and L24.CD1 other bump:2.37242 Ang L11.CB and L24.CD1 other bump:2.8061 Ang L11.N and L24.CD1 other bump:2.72278 Ang L11.CD1 and L24.CG other bump:2.02218 Ang N20.ND2 and T22.OG1 other bump:2.77986 Ang L11.CD1 and T22.CG2 other bump:1.93291 Ang L17.O and N20.OD1 other bump:2.27788 Ang E12.O and D15.OD1 other bump:2.24067 Ang L11.O and D15.OD1 other bump:2.58024 Ang E12.C and D15.OD1 other bump:1.72392 Ang R9.NH1 and E12.OE1 other bump:2.53343 Ang R8.NH1 and L11.CD2 T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLS 1mroB 133 :VTATAFVQAIINEFDVSMYDANMVKAAVL Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.81784 Ang E4.CD and S30.OG other bump:1.73661 Ang E4.OE2 and S30.OG other bump:2.60245 Ang R26.NE and S30.OG other bump:1.67415 Ang R26.CZ and S30.OG other bump:0.795793 Ang R26.NH1 and S30.OG other bump:2.50951 Ang R26.NH2 and S30.OG other bump:2.26956 Ang E4.CD and S30.CB other bump:2.33151 Ang E4.OE1 and S30.CB other bump:1.81011 Ang E4.OE2 and S30.CB other bump:2.74391 Ang R26.CZ and S30.CB other bump:2.12511 Ang R26.NH1 and S30.CB other bump:3.05562 Ang R26.NH2 and S30.CB other bump:2.82912 Ang E4.CA and L29.CD2 other bump:2.62041 Ang E4.CG and L29.CD2 other bump:2.39876 Ang E4.O and L29.CD2 other bump:2.90008 Ang E4.C and L29.CD2 other bump:2.51287 Ang T24.O and H28.CD2 other bump:2.32903 Ang E4.OE2 and R26.NH1 other bump:2.20737 Ang E4.OE2 and R26.CZ other bump:3.01523 Ang L8.CD1 and V25.C other bump:2.50033 Ang L8.CD1 and V25.CG1 other bump:2.87677 Ang L8.CD1 and V25.CB other bump:2.00932 Ang L12.CD1 and I22.CD1 other bump:2.66691 Ang L12.CB and I22.CD1 other bump:1.58101 Ang L12.CG and I22.CD1 other bump:0.799742 Ang L12.CD2 and I22.CD1 other bump:1.92516 Ang L12.CD1 and I22.CG1 other bump:2.55808 Ang L12.CG and I22.CG1 other bump:2.29439 Ang L12.CD2 and I22.CG1 other bump:3.01963 Ang L12.CD2 and A17.CB T0187 81 :GRFAERV 1mroB 162 :GRYPQSV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 88 :FPAKVV 1mroB 171 :MGANIA Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 1.625 Ang F2.CA and P3.CD neighbor-bump: 0.868305 Ang F2.C and P3.CD self-bump: 1.29804 Ang P3.N and P3.CD neighbor-bump: 2.32991 Ang F2.CB and P3.CD neighbor-bump: 2.48759 Ang F2.CG and P3.CD neighbor-bump: 2.89603 Ang F2.CD1 and P3.CD neighbor-bump: 1.83372 Ang F2.O and P3.CD neighbor-bump: 2.93838 Ang F2.CA and P3.CG neighbor-bump: 1.84394 Ang F2.C and P3.CG self-bump: 2.15385 Ang P3.N and P3.CG neighbor-bump: 3.02826 Ang F2.CB and P3.CG neighbor-bump: 2.62298 Ang F2.CG and P3.CG neighbor-bump: 2.66703 Ang F2.CD2 and P3.CG neighbor-bump: 1.80601 Ang F2.O and P3.CG neighbor-bump: 2.26001 Ang F2.C and P3.CB neighbor-bump: 1.87534 Ang F2.O and P3.CB T0187 101 :LGDRLDVIASGPAWPDSSTSEDALKVLEKYGIETSESVKRAILQETPKHL 1mroB 177 :TMLDIPQKLEGPGYALRNIMVNHVVAATLKNTLQAAALSTILEQTAMFEM Fragment has 45 clashes (null) has 45 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 51 residues other bump:2.26194 Ang A14.CB and L51.CD2 other bump:3.19564 Ang A14.CA and L51.CD2 other bump:3.10096 Ang A14.C and L51.CD2 other bump:2.48147 Ang P13.O and L51.CD2 other bump:3.13217 Ang A14.CB and L51.CG other bump:3.18986 Ang A14.CB and L51.CA other bump:2.40836 Ang A14.CA and H50.NE2 other bump:3.10694 Ang A14.CB and H50.CD2 other bump:2.20075 Ang A14.CA and H50.CD2 other bump:2.59405 Ang A14.O and H50.CD2 other bump:2.67089 Ang A14.C and H50.CD2 neighbor-bump: 2.57615 Ang T47.N and P48.CD other bump:2.95772 Ang Q45.CA and P48.CD other bump:2.55531 Ang Q45.O and P48.CD other bump:2.60886 Ang Q45.C and P48.CD other bump:1.79386 Ang L44.O and P48.CD other bump:2.80832 Ang L44.C and P48.CD other bump:2.89172 Ang Q45.CA and P48.CG other bump:3.13055 Ang Q45.C and P48.CG other bump:2.2178 Ang L44.O and P48.CG other bump:3.11617 Ang L44.C and P48.CG other bump:2.32212 Ang D17.O and I43.CG2 other bump:2.49303 Ang L25.CD2 and K40.CE other bump:2.3845 Ang L25.CD2 and K40.CD other bump:1.4688 Ang L25.CD2 and K40.CG other bump:2.98104 Ang L25.CG and K40.CG other bump:2.72745 Ang L25.CD2 and K40.CB other bump:3.14402 Ang E29.CD and V39.CG2 other bump:2.55668 Ang L25.CD1 and V39.CG1 other bump:2.69696 Ang L25.CD1 and V39.CB other bump:2.61518 Ang E29.CD and T35.CG2 other bump:1.49526 Ang E29.OE1 and T35.CG2 other bump:2.83422 Ang E29.OE1 and T35.CB other bump:2.08287 Ang P16.O and S19.OG other bump:2.94099 Ang W15.CE3 and S18.OG other bump:2.77302 Ang A14.C and P16.CD neighbor-bump: 2.44263 Ang W15.N and P16.CD other bump:3.13025 Ang G12.CA and W15.NE1 other bump:2.43746 Ang G12.O and W15.CD1 other bump:2.59206 Ang G12.C and W15.CD1 other bump:2.66149 Ang G12.N and W15.CD1 other bump:2.63508 Ang G12.CA and W15.CD1 neighbor-bump: 2.14849 Ang P13.O and A14.CB neighbor-bump: 2.45815 Ang P13.C and A14.CB other bump:3.31405 Ang R5.CD and I9.CG2 Number of specific fragments= 6 total=1200 Number of alignments=290 # Reading fragments from alignment file # T0187 read from T0187-1mroB-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1mroB read from T0187-1mroB-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1mroB in template set T0187 1 :PVPD 1mroB 2 :AKFE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.34288 Ang V2.CG2 and P3.CD neighbor-bump: 2.61685 Ang V2.N and P3.CD T0187 6 :NTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVS 1mroB 81 :NAESIAAAAKEMIQVTEDDDTNVELLGGGKRALVQVPSARFD Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.56089 Ang Q16.CA and E40.OE2 other bump:1.2289 Ang Q16.CB and E40.OE2 other bump:1.66514 Ang Q16.CG and E40.OE2 other bump:1.8848 Ang Q16.CD and E40.OE2 other bump:2.16513 Ang Q16.OE1 and E40.OE2 other bump:2.43171 Ang Q16.CB and E40.CD other bump:2.48256 Ang Q16.CG and E40.CD other bump:1.79782 Ang Q16.CD and E40.CD other bump:1.58757 Ang Q16.OE1 and E40.CD other bump:2.59751 Ang Q16.NE2 and E40.CG other bump:2.88444 Ang Q16.CG and E40.CG other bump:1.72744 Ang Q16.CD and E40.CG other bump:0.58984 Ang Q16.OE1 and E40.CG other bump:2.98456 Ang Q16.CD and E40.CB other bump:2.02833 Ang Q16.OE1 and E40.CB other bump:2.90447 Ang Q16.OE1 and E40.CA other bump:2.31893 Ang V14.CG2 and L37.CD2 other bump:3.08809 Ang S33.CB and F35.CE2 other bump:2.13388 Ang L24.CD2 and F35.CE1 other bump:1.74125 Ang L24.CD2 and F35.CD1 neighbor-bump: 2.60045 Ang L27.C and S28.CB other bump:2.85827 Ang L11.CD1 and L24.CD1 other bump:2.54427 Ang L11.CA and L24.CD1 other bump:2.37242 Ang L11.CB and L24.CD1 other bump:2.8061 Ang L11.N and L24.CD1 other bump:2.72278 Ang L11.CD1 and L24.CG other bump:2.02218 Ang N20.ND2 and T22.OG1 other bump:2.77986 Ang L11.CD1 and T22.CG2 other bump:1.93291 Ang L17.O and N20.OD1 other bump:2.27788 Ang E12.O and D15.OD1 other bump:2.24067 Ang L11.O and D15.OD1 other bump:2.58024 Ang E12.C and D15.OD1 other bump:1.72392 Ang R9.NH1 and E12.OE1 other bump:2.53343 Ang R8.NH1 and L11.CD2 T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQ 1mroB 133 :VTATAFVQAIINEFDVSMYDANMVKAAVLG Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.1098 Ang S30.O and Q31.OE1 neighbor-bump: 1.82156 Ang S30.O and Q31.CD neighbor-bump: 1.16697 Ang S30.O and Q31.CG neighbor-bump: 2.20953 Ang S30.C and Q31.CG neighbor-bump: 1.88072 Ang S30.O and Q31.CB neighbor-bump: 2.37863 Ang S30.C and Q31.CB other bump:2.20446 Ang E4.CG and S30.OG other bump:0.955063 Ang E4.CD and S30.OG other bump:1.58443 Ang E4.OE1 and S30.OG other bump:1.02921 Ang E4.OE2 and S30.OG other bump:3.04559 Ang R26.CZ and S30.OG other bump:2.28529 Ang E4.CD and S30.CB other bump:2.47262 Ang E4.OE1 and S30.CB other bump:1.7003 Ang E4.OE2 and S30.CB other bump:2.97907 Ang R26.NH2 and S30.CB other bump:2.57032 Ang R26.CZ and S30.CB other bump:1.90912 Ang R26.NH1 and S30.CB other bump:2.82912 Ang E4.CA and L29.CD2 other bump:2.62041 Ang E4.CG and L29.CD2 other bump:2.90008 Ang E4.C and L29.CD2 other bump:2.39876 Ang E4.O and L29.CD2 other bump:2.51287 Ang T24.O and H28.CD2 other bump:2.32903 Ang E4.OE2 and R26.NH1 other bump:2.20737 Ang E4.OE2 and R26.CZ other bump:3.01523 Ang L8.CD1 and V25.C other bump:2.50033 Ang L8.CD1 and V25.CG1 other bump:2.87677 Ang L8.CD1 and V25.CB other bump:2.00932 Ang L12.CD1 and I22.CD1 other bump:2.66691 Ang L12.CB and I22.CD1 other bump:1.58101 Ang L12.CG and I22.CD1 other bump:0.799742 Ang L12.CD2 and I22.CD1 other bump:1.92516 Ang L12.CD1 and I22.CG1 other bump:2.55808 Ang L12.CG and I22.CG1 other bump:2.29439 Ang L12.CD2 and I22.CG1 other bump:3.01963 Ang L12.CD2 and A17.CB T0187 82 :RFAER 1mroB 163 :RYPQS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.92281 Ang R2.N and R6.NH2 other bump:2.89137 Ang R2.CB and R6.NE T0187 87 :VFPAKVV 1mroB 170 :YMGANIA Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.99788 Ang V2.CG1 and A5.CB neighbor-bump: 1.625 Ang F3.CA and P4.CD neighbor-bump: 2.30917 Ang F3.CB and P4.CD neighbor-bump: 0.868299 Ang F3.C and P4.CD neighbor-bump: 2.54186 Ang F3.CG and P4.CD neighbor-bump: 1.83372 Ang F3.O and P4.CD self-bump: 1.29804 Ang P4.N and P4.CD neighbor-bump: 2.93838 Ang F3.CA and P4.CG neighbor-bump: 1.84394 Ang F3.C and P4.CG neighbor-bump: 2.81787 Ang F3.CD2 and P4.CG neighbor-bump: 1.80601 Ang F3.O and P4.CG self-bump: 2.15385 Ang P4.N and P4.CG neighbor-bump: 2.26001 Ang F3.C and P4.CB neighbor-bump: 1.87535 Ang F3.O and P4.CB T0187 100 :VLGDRL 1mroB 177 :TMLDIP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:3.29368 Ang V2.CG1 and G4.CA other bump:2.61593 Ang V2.CG1 and G4.N T0187 107 :VIASGPAWPDSSTSEDALKVLEKYGIETSESVKRAILQETPKH 1mroB 183 :QKLEGPGYALRNIMVNHVVAATLKNTLQAAALSTILEQTAMFE Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:3.18986 Ang A8.CB and G45.CA other bump:3.08479 Ang A8.CA and H44.CE1 other bump:2.60785 Ang A8.CA and H44.ND1 neighbor-bump: 2.57615 Ang T41.N and P42.CD other bump:2.95772 Ang Q39.CA and P42.CD other bump:2.55531 Ang Q39.O and P42.CD other bump:2.60886 Ang Q39.C and P42.CD other bump:1.79386 Ang L38.O and P42.CD other bump:2.80832 Ang L38.C and P42.CD other bump:2.89172 Ang Q39.CA and P42.CG other bump:3.13055 Ang Q39.C and P42.CG other bump:2.2178 Ang L38.O and P42.CG other bump:3.11617 Ang L38.C and P42.CG other bump:2.32212 Ang D11.O and I37.CG2 other bump:2.49303 Ang L19.CD2 and K34.CE other bump:2.3845 Ang L19.CD2 and K34.CD other bump:2.98104 Ang L19.CG and K34.CG other bump:1.4688 Ang L19.CD2 and K34.CG other bump:2.72745 Ang L19.CD2 and K34.CB other bump:3.14402 Ang E23.CD and V33.CG2 other bump:2.55668 Ang L19.CD1 and V33.CG1 other bump:2.69696 Ang L19.CD1 and V33.CB other bump:2.61518 Ang E23.CD and T29.CG2 other bump:1.49526 Ang E23.OE1 and T29.CG2 other bump:2.83422 Ang E23.OE1 and T29.CB other bump:2.08287 Ang P10.O and S13.OG other bump:2.94099 Ang W9.CE3 and S12.OG other bump:2.77302 Ang A8.C and P10.CD neighbor-bump: 2.44263 Ang W9.N and P10.CD other bump:3.13025 Ang G6.CA and W9.NE1 other bump:2.43746 Ang G6.O and W9.CD1 other bump:2.59206 Ang G6.C and W9.CD1 other bump:2.66149 Ang G6.N and W9.CD1 other bump:2.63508 Ang G6.CA and W9.CD1 neighbor-bump: 2.14849 Ang P7.O and A8.CB neighbor-bump: 2.45815 Ang P7.C and A8.CB Number of specific fragments= 7 total=1207 Number of alignments=291 # Reading fragments from alignment file # T0187 read from T0187-1mroB-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1mroB read from T0187-1mroB-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1mroB in template set T0187 5 :ENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVS 1mroB 80 :GNAESIAAAAKEMIQVTEDDDTNVELLGGGKRALVQVPSARFD Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:1.2289 Ang Q17.CB and E41.OE2 other bump:1.8848 Ang Q17.CD and E41.OE2 other bump:2.16513 Ang Q17.OE1 and E41.OE2 other bump:2.56089 Ang Q17.CA and E41.OE2 other bump:1.66514 Ang Q17.CG and E41.OE2 other bump:2.43171 Ang Q17.CB and E41.CD other bump:1.79782 Ang Q17.CD and E41.CD other bump:1.58757 Ang Q17.OE1 and E41.CD other bump:2.48256 Ang Q17.CG and E41.CD other bump:2.59751 Ang Q17.NE2 and E41.CG other bump:1.72744 Ang Q17.CD and E41.CG other bump:0.58984 Ang Q17.OE1 and E41.CG other bump:2.88444 Ang Q17.CG and E41.CG other bump:2.98456 Ang Q17.CD and E41.CB other bump:2.02833 Ang Q17.OE1 and E41.CB other bump:2.90447 Ang Q17.OE1 and E41.CA other bump:2.31893 Ang V15.CG2 and L38.CD2 other bump:3.08809 Ang S34.CB and F36.CE2 other bump:2.13388 Ang L25.CD2 and F36.CE1 other bump:1.74125 Ang L25.CD2 and F36.CD1 neighbor-bump: 2.60045 Ang L28.C and S29.CB other bump:2.85827 Ang L12.CD1 and L25.CD1 other bump:2.8061 Ang L12.N and L25.CD1 other bump:2.54427 Ang L12.CA and L25.CD1 other bump:2.37242 Ang L12.CB and L25.CD1 other bump:2.72278 Ang L12.CD1 and L25.CG other bump:2.02218 Ang N21.ND2 and T23.OG1 other bump:2.77986 Ang L12.CD1 and T23.CG2 other bump:1.93291 Ang L18.O and N21.OD1 other bump:2.27788 Ang E13.O and D16.OD1 other bump:2.24067 Ang L12.O and D16.OD1 other bump:2.58024 Ang E13.C and D16.OD1 other bump:1.72392 Ang R10.NH1 and E13.OE1 other bump:2.53343 Ang R9.NH1 and L12.CD2 T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHL 1mroB 133 :VTATAFVQAIINEFDVSMYDANMVKAAV Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.82912 Ang E4.CA and L29.CD2 other bump:2.62041 Ang E4.CG and L29.CD2 other bump:2.39876 Ang E4.O and L29.CD2 other bump:2.90008 Ang E4.C and L29.CD2 other bump:2.51287 Ang T24.O and H28.CD2 other bump:2.32903 Ang E4.OE2 and R26.NH1 other bump:2.20737 Ang E4.OE2 and R26.CZ other bump:3.01523 Ang L8.CD1 and V25.C other bump:2.50033 Ang L8.CD1 and V25.CG1 other bump:2.87677 Ang L8.CD1 and V25.CB other bump:2.00932 Ang L12.CD1 and I22.CD1 other bump:2.66691 Ang L12.CB and I22.CD1 other bump:1.58101 Ang L12.CG and I22.CD1 other bump:0.799742 Ang L12.CD2 and I22.CD1 other bump:1.92516 Ang L12.CD1 and I22.CG1 other bump:2.55808 Ang L12.CG and I22.CG1 other bump:2.29439 Ang L12.CD2 and I22.CG1 other bump:3.01963 Ang L12.CD2 and A17.CB Number of specific fragments= 2 total=1209 Number of alignments=292 # Reading fragments from alignment file # T0187 read from T0187-1mroB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1mroB read from T0187-1mroB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1mroB in template set T0187 7 :TIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVS 1mroB 82 :AESIAAAAKEMIQVTEDDDTNVELLGGGKRALVQVPSARFD Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.2289 Ang Q15.CB and E39.OE2 other bump:1.8848 Ang Q15.CD and E39.OE2 other bump:2.16513 Ang Q15.OE1 and E39.OE2 other bump:2.56089 Ang Q15.CA and E39.OE2 other bump:1.66514 Ang Q15.CG and E39.OE2 other bump:2.43171 Ang Q15.CB and E39.CD other bump:1.79782 Ang Q15.CD and E39.CD other bump:1.58757 Ang Q15.OE1 and E39.CD other bump:2.48256 Ang Q15.CG and E39.CD other bump:2.59751 Ang Q15.NE2 and E39.CG other bump:1.72744 Ang Q15.CD and E39.CG other bump:0.58984 Ang Q15.OE1 and E39.CG other bump:2.88444 Ang Q15.CG and E39.CG other bump:2.98456 Ang Q15.CD and E39.CB other bump:2.02833 Ang Q15.OE1 and E39.CB other bump:2.90447 Ang Q15.OE1 and E39.CA other bump:2.31893 Ang V13.CG2 and L36.CD2 other bump:3.08809 Ang S32.CB and F34.CE2 other bump:2.13388 Ang L23.CD2 and F34.CE1 other bump:1.74125 Ang L23.CD2 and F34.CD1 neighbor-bump: 2.60045 Ang L26.C and S27.CB other bump:2.52208 Ang T2.CG2 and L25.CD2 other bump:2.85827 Ang L10.CD1 and L23.CD1 other bump:2.8061 Ang L10.N and L23.CD1 other bump:2.54427 Ang L10.CA and L23.CD1 other bump:2.37241 Ang L10.CB and L23.CD1 other bump:2.72278 Ang L10.CD1 and L23.CG other bump:2.02218 Ang N19.ND2 and T21.OG1 other bump:2.77986 Ang L10.CD1 and T21.CG2 other bump:1.93291 Ang L16.O and N19.OD1 other bump:2.27788 Ang E11.O and D14.OD1 other bump:2.24067 Ang L10.O and D14.OD1 other bump:2.58024 Ang E11.C and D14.OD1 other bump:1.72392 Ang R8.NH1 and E11.OE1 other bump:2.53341 Ang R7.NH1 and L10.CD2 T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHL 1mroB 133 :VTATAFVQAIINEFDVSMYDANMVKAAV Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.82912 Ang E4.CA and L29.CD2 other bump:2.62041 Ang E4.CG and L29.CD2 other bump:2.39876 Ang E4.O and L29.CD2 other bump:2.90008 Ang E4.C and L29.CD2 other bump:2.51287 Ang T24.O and H28.CD2 other bump:2.32903 Ang E4.OE2 and R26.NH1 other bump:2.20737 Ang E4.OE2 and R26.CZ other bump:3.01523 Ang L8.CD1 and V25.C other bump:2.50033 Ang L8.CD1 and V25.CG1 other bump:2.87677 Ang L8.CD1 and V25.CB other bump:2.00932 Ang L12.CD1 and I22.CD1 other bump:2.66691 Ang L12.CB and I22.CD1 other bump:1.58101 Ang L12.CG and I22.CD1 other bump:0.799742 Ang L12.CD2 and I22.CD1 other bump:1.92516 Ang L12.CD1 and I22.CG1 other bump:2.55808 Ang L12.CG and I22.CG1 other bump:2.29439 Ang L12.CD2 and I22.CG1 other bump:3.01963 Ang L12.CD2 and A17.CB Number of specific fragments= 2 total=1211 Number of alignments=293 # Reading fragments from alignment file # T0187 read from T0187-1mroB-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1mroB read from T0187-1mroB-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1mroB in template set T0187 1 :PVPD 1mroB 2 :AKFE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.34288 Ang V2.CG2 and P3.CD neighbor-bump: 2.61685 Ang V2.N and P3.CD T0187 5 :ENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVS 1mroB 80 :GNAESIAAAAKEMIQVTEDDDTNVELLGGGKRALVQVPSARFD Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:1.2289 Ang Q17.CB and E41.OE2 other bump:1.8848 Ang Q17.CD and E41.OE2 other bump:2.16513 Ang Q17.OE1 and E41.OE2 other bump:2.56089 Ang Q17.CA and E41.OE2 other bump:1.66514 Ang Q17.CG and E41.OE2 other bump:2.43171 Ang Q17.CB and E41.CD other bump:1.79782 Ang Q17.CD and E41.CD other bump:1.58757 Ang Q17.OE1 and E41.CD other bump:2.48256 Ang Q17.CG and E41.CD other bump:2.59751 Ang Q17.NE2 and E41.CG other bump:1.72744 Ang Q17.CD and E41.CG other bump:0.58984 Ang Q17.OE1 and E41.CG other bump:2.88444 Ang Q17.CG and E41.CG other bump:2.98456 Ang Q17.CD and E41.CB other bump:2.02833 Ang Q17.OE1 and E41.CB other bump:2.90447 Ang Q17.OE1 and E41.CA other bump:2.31893 Ang V15.CG2 and L38.CD2 other bump:3.08809 Ang S34.CB and F36.CE2 other bump:2.13388 Ang L25.CD2 and F36.CE1 other bump:1.74125 Ang L25.CD2 and F36.CD1 neighbor-bump: 2.60045 Ang L28.C and S29.CB other bump:2.85827 Ang L12.CD1 and L25.CD1 other bump:2.8061 Ang L12.N and L25.CD1 other bump:2.54427 Ang L12.CA and L25.CD1 other bump:2.37242 Ang L12.CB and L25.CD1 other bump:2.72278 Ang L12.CD1 and L25.CG other bump:2.02218 Ang N21.ND2 and T23.OG1 other bump:2.77986 Ang L12.CD1 and T23.CG2 other bump:1.93291 Ang L18.O and N21.OD1 other bump:2.27788 Ang E13.O and D16.OD1 other bump:2.24067 Ang L12.O and D16.OD1 other bump:2.58024 Ang E13.C and D16.OD1 other bump:1.72392 Ang R10.NH1 and E13.OE1 other bump:2.53343 Ang R9.NH1 and L12.CD2 T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLS 1mroB 133 :VTATAFVQAIINEFDVSMYDANMVKAAVL Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.81784 Ang E4.CD and S30.OG other bump:1.73661 Ang E4.OE2 and S30.OG other bump:2.60245 Ang R26.NE and S30.OG other bump:1.67415 Ang R26.CZ and S30.OG other bump:0.795793 Ang R26.NH1 and S30.OG other bump:2.50951 Ang R26.NH2 and S30.OG other bump:2.26956 Ang E4.CD and S30.CB other bump:2.33151 Ang E4.OE1 and S30.CB other bump:1.81011 Ang E4.OE2 and S30.CB other bump:2.74391 Ang R26.CZ and S30.CB other bump:2.12511 Ang R26.NH1 and S30.CB other bump:3.05562 Ang R26.NH2 and S30.CB other bump:2.82912 Ang E4.CA and L29.CD2 other bump:2.62041 Ang E4.CG and L29.CD2 other bump:2.39876 Ang E4.O and L29.CD2 other bump:2.90008 Ang E4.C and L29.CD2 other bump:2.51287 Ang T24.O and H28.CD2 other bump:2.32903 Ang E4.OE2 and R26.NH1 other bump:2.20737 Ang E4.OE2 and R26.CZ other bump:3.01523 Ang L8.CD1 and V25.C other bump:2.50033 Ang L8.CD1 and V25.CG1 other bump:2.87677 Ang L8.CD1 and V25.CB other bump:2.00932 Ang L12.CD1 and I22.CD1 other bump:2.66691 Ang L12.CB and I22.CD1 other bump:1.58101 Ang L12.CG and I22.CD1 other bump:0.799742 Ang L12.CD2 and I22.CD1 other bump:1.92516 Ang L12.CD1 and I22.CG1 other bump:2.55808 Ang L12.CG and I22.CG1 other bump:2.29439 Ang L12.CD2 and I22.CG1 other bump:3.01963 Ang L12.CD2 and A17.CB T0187 81 :GRFAERVFPAKVVALVLSDVLGDR 1mroB 162 :GRYPQSVEYMGANIATMLDIPQKL Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.70487 Ang L22.CD2 and R25.NH2 other bump:3.29368 Ang V17.CG1 and S19.CA other bump:2.61593 Ang V17.CG1 and S19.N other bump:2.59948 Ang P10.CB and V13.CG2 other bump:2.97621 Ang P10.CA and V13.CG2 other bump:2.3169 Ang P10.O and V13.CG2 other bump:2.8297 Ang P10.C and V13.CG2 other bump:3.21065 Ang G1.C and V13.CG2 other bump:2.63217 Ang R3.NH2 and K12.NZ other bump:3.0252 Ang R3.NH2 and K12.CE neighbor-bump: 2.47449 Ang A11.C and K12.CB neighbor-bump: 2.08818 Ang A11.O and K12.CB other bump:2.61204 Ang R7.NE and A11.CB other bump:2.94902 Ang R7.CD and A11.CB self-bump: 1.39475 Ang P10.CA and P10.CB T0187 110 :SGPAWPDSSTSEDALKVLEKYGIETSESVKRAILQETPKHL 1mroB 186 :EGPGYALRNIMVNHVVAATLKNTLQAAALSTILEQTAMFEM Fragment has 44 clashes (null) has 44 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.26194 Ang A5.CB and L42.CD2 other bump:3.19564 Ang A5.CA and L42.CD2 other bump:3.10096 Ang A5.C and L42.CD2 other bump:2.48147 Ang P4.O and L42.CD2 other bump:3.13217 Ang A5.CB and L42.CG other bump:3.18986 Ang A5.CB and L42.CA other bump:2.40836 Ang A5.CA and H41.NE2 other bump:3.10694 Ang A5.CB and H41.CD2 other bump:2.20075 Ang A5.CA and H41.CD2 other bump:2.59405 Ang A5.O and H41.CD2 other bump:2.67089 Ang A5.C and H41.CD2 other bump:2.55531 Ang Q36.O and P39.CD other bump:2.60886 Ang Q36.C and P39.CD neighbor-bump: 2.57615 Ang T38.N and P39.CD other bump:2.95772 Ang Q36.CA and P39.CD other bump:1.79386 Ang L35.O and P39.CD other bump:2.80832 Ang L35.C and P39.CD other bump:3.13055 Ang Q36.C and P39.CG other bump:2.89172 Ang Q36.CA and P39.CG other bump:2.2178 Ang L35.O and P39.CG other bump:3.11617 Ang L35.C and P39.CG other bump:2.32212 Ang D8.O and I34.CG2 other bump:2.49303 Ang L16.CD2 and K31.CE other bump:2.3845 Ang L16.CD2 and K31.CD other bump:1.4688 Ang L16.CD2 and K31.CG other bump:2.98104 Ang L16.CG and K31.CG other bump:2.72745 Ang L16.CD2 and K31.CB other bump:3.14402 Ang E20.CD and V30.CG2 other bump:2.55668 Ang L16.CD1 and V30.CG1 other bump:2.69696 Ang L16.CD1 and V30.CB other bump:2.61518 Ang E20.CD and T26.CG2 other bump:1.49526 Ang E20.OE1 and T26.CG2 other bump:2.83422 Ang E20.OE1 and T26.CB other bump:2.08287 Ang P7.O and S10.OG other bump:2.94099 Ang W6.CE3 and S9.OG other bump:2.77302 Ang A5.C and P7.CD neighbor-bump: 2.44263 Ang W6.N and P7.CD other bump:3.13025 Ang G3.CA and W6.NE1 other bump:2.43746 Ang G3.O and W6.CD1 other bump:2.59206 Ang G3.C and W6.CD1 other bump:2.63508 Ang G3.CA and W6.CD1 other bump:2.66149 Ang G3.N and W6.CD1 neighbor-bump: 2.14849 Ang P4.O and A5.CB neighbor-bump: 2.45815 Ang P4.C and A5.CB Number of specific fragments= 5 total=1216 Number of alignments=294 # Reading fragments from alignment file # T0187 read from T0187-1mroB-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1mroB read from T0187-1mroB-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1mroB in template set T0187 1 :PVPD 1mroB 2 :AKFE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.34288 Ang V2.CG2 and P3.CD neighbor-bump: 2.61685 Ang V2.N and P3.CD T0187 6 :NTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVS 1mroB 81 :NAESIAAAAKEMIQVTEDDDTNVELLGGGKRALVQVPSARFD Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.56089 Ang Q16.CA and E40.OE2 other bump:1.2289 Ang Q16.CB and E40.OE2 other bump:1.66514 Ang Q16.CG and E40.OE2 other bump:1.8848 Ang Q16.CD and E40.OE2 other bump:2.16513 Ang Q16.OE1 and E40.OE2 other bump:2.43171 Ang Q16.CB and E40.CD other bump:2.48256 Ang Q16.CG and E40.CD other bump:1.79782 Ang Q16.CD and E40.CD other bump:1.58757 Ang Q16.OE1 and E40.CD other bump:2.59751 Ang Q16.NE2 and E40.CG other bump:2.88444 Ang Q16.CG and E40.CG other bump:1.72744 Ang Q16.CD and E40.CG other bump:0.58984 Ang Q16.OE1 and E40.CG other bump:2.98456 Ang Q16.CD and E40.CB other bump:2.02833 Ang Q16.OE1 and E40.CB other bump:2.90447 Ang Q16.OE1 and E40.CA other bump:2.31893 Ang V14.CG2 and L37.CD2 other bump:3.08809 Ang S33.CB and F35.CE2 other bump:2.13388 Ang L24.CD2 and F35.CE1 other bump:1.74125 Ang L24.CD2 and F35.CD1 neighbor-bump: 2.60045 Ang L27.C and S28.CB other bump:2.85827 Ang L11.CD1 and L24.CD1 other bump:2.54427 Ang L11.CA and L24.CD1 other bump:2.37242 Ang L11.CB and L24.CD1 other bump:2.8061 Ang L11.N and L24.CD1 other bump:2.72278 Ang L11.CD1 and L24.CG other bump:2.02218 Ang N20.ND2 and T22.OG1 other bump:2.77986 Ang L11.CD1 and T22.CG2 other bump:1.93291 Ang L17.O and N20.OD1 other bump:2.27788 Ang E12.O and D15.OD1 other bump:2.24067 Ang L11.O and D15.OD1 other bump:2.58024 Ang E12.C and D15.OD1 other bump:1.72392 Ang R9.NH1 and E12.OE1 other bump:2.53343 Ang R8.NH1 and L11.CD2 T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHLSQV 1mroB 133 :VTATAFVQAIINEFDVSMYDANMVKAAVLGR Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:3.01718 Ang Q31.CG and G33.N neighbor-bump: 2.1098 Ang S30.O and Q31.OE1 neighbor-bump: 1.82156 Ang S30.O and Q31.CD neighbor-bump: 1.16697 Ang S30.O and Q31.CG neighbor-bump: 2.20953 Ang S30.C and Q31.CG neighbor-bump: 1.88072 Ang S30.O and Q31.CB neighbor-bump: 2.37863 Ang S30.C and Q31.CB other bump:2.20446 Ang E4.CG and S30.OG other bump:0.955063 Ang E4.CD and S30.OG other bump:1.58443 Ang E4.OE1 and S30.OG other bump:1.02921 Ang E4.OE2 and S30.OG other bump:3.04559 Ang R26.CZ and S30.OG other bump:2.28529 Ang E4.CD and S30.CB other bump:2.47262 Ang E4.OE1 and S30.CB other bump:1.7003 Ang E4.OE2 and S30.CB other bump:2.97907 Ang R26.NH2 and S30.CB other bump:2.57032 Ang R26.CZ and S30.CB other bump:1.90912 Ang R26.NH1 and S30.CB other bump:2.82912 Ang E4.CA and L29.CD2 other bump:2.62041 Ang E4.CG and L29.CD2 other bump:2.39876 Ang E4.O and L29.CD2 other bump:2.90008 Ang E4.C and L29.CD2 other bump:2.51287 Ang T24.O and H28.CD2 other bump:2.32903 Ang E4.OE2 and R26.NH1 other bump:2.20737 Ang E4.OE2 and R26.CZ other bump:3.01523 Ang L8.CD1 and V25.C other bump:2.50033 Ang L8.CD1 and V25.CG1 other bump:2.87677 Ang L8.CD1 and V25.CB other bump:2.00932 Ang L12.CD1 and I22.CD1 other bump:2.66691 Ang L12.CB and I22.CD1 other bump:1.58101 Ang L12.CG and I22.CD1 other bump:0.799742 Ang L12.CD2 and I22.CD1 other bump:1.92516 Ang L12.CD1 and I22.CG1 other bump:2.55808 Ang L12.CG and I22.CG1 other bump:2.29439 Ang L12.CD2 and I22.CG1 other bump:3.01963 Ang L12.CD2 and A17.CB T0187 83 :FAER 1mroB 164 :YPQS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 87 :VFPAKVVA 1mroB 170 :YMGANIAT Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.99788 Ang V2.CG1 and A5.CB neighbor-bump: 1.625 Ang F3.CA and P4.CD neighbor-bump: 2.30917 Ang F3.CB and P4.CD neighbor-bump: 0.868299 Ang F3.C and P4.CD neighbor-bump: 2.54186 Ang F3.CG and P4.CD neighbor-bump: 1.83372 Ang F3.O and P4.CD self-bump: 1.29804 Ang P4.N and P4.CD neighbor-bump: 2.93838 Ang F3.CA and P4.CG neighbor-bump: 1.84394 Ang F3.C and P4.CG neighbor-bump: 2.81787 Ang F3.CD2 and P4.CG neighbor-bump: 1.80601 Ang F3.O and P4.CG self-bump: 2.15385 Ang P4.N and P4.CG neighbor-bump: 2.26001 Ang F3.C and P4.CB neighbor-bump: 1.87535 Ang F3.O and P4.CB T0187 97 :LSDVL 1mroB 178 :MLDIP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 102 :GD 1mroB 189 :GY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 105 :L 1mroB 197 :V Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 106 :DVIAS 1mroB 199 :HVVAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 113 :AWPDSSTSEDALKVLEK 1mroB 204 :TLKNTLQAAALSTILEQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 130 :YGIETSESVKRAILQETP 1mroB 226 :MGDAVGAFERMHLLGLAY Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.81139 Ang L15.C and P19.CD other bump:1.68325 Ang L15.O and P19.CD neighbor-bump: 2.7597 Ang T18.CB and P19.CD other bump:2.2338 Ang L15.O and P19.CG other bump:3.10336 Ang S7.N and V10.CG2 other bump:3.09154 Ang T6.CA and V10.CG2 other bump:2.46594 Ang E5.O and V10.CG2 other bump:2.98928 Ang E5.C and V10.CG2 neighbor-bump: 2.95008 Ang T6.CG2 and S7.CA neighbor-bump: 2.44982 Ang T6.CB and S7.N neighbor-bump: 1.78481 Ang T6.CG2 and S7.N self-bump: 2.20806 Ang T6.CB and T6.C self-bump: 2.37781 Ang T6.CG2 and T6.C self-bump: 1.2792 Ang T6.CA and T6.CB Number of specific fragments= 11 total=1227 Number of alignments=295 # Reading fragments from alignment file # T0187 read from T0187-1mroB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1mroB read from T0187-1mroB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1mroB in template set T0187 1 :PVPD 1mroB 2 :AKFE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.34288 Ang V2.CG2 and P3.CD neighbor-bump: 2.61685 Ang V2.N and P3.CD T0187 5 :ENTIKTTRR 1mroB 35 :IKSIVQGIK Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39736 Ang K6.CD and R10.NH2 other bump:1.36061 Ang K6.CE and R10.NH2 other bump:1.96042 Ang K6.NZ and R10.NH2 other bump:2.54566 Ang K6.CE and R10.CZ other bump:3.25827 Ang K6.CE and R10.NE other bump:2.67436 Ang I5.CG2 and R9.NH2 other bump:2.0747 Ang I5.CG2 and R9.NH1 other bump:2.48635 Ang I5.CG2 and R9.CZ other bump:2.25628 Ang T4.O and T8.OG1 T0187 14 :VLELV 1mroB 53 :IENAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 19 :DQLN 1mroB 70 :MGRE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.22263 Ang D2.O and Q3.CB neighbor-bump: 2.59421 Ang D2.C and Q3.CB T0187 23 :END 1mroB 97 :EDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 31 :LSGGG 1mroB 105 :LLGGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 36 :SSL 1mroB 118 :SAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 39 :FELPLEGV 1mroB 178 :MLDIPQKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 47 :SLEEIQKLTSALLK 1mroB 207 :NTLQAAALSTILEQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 61 :SGASIEEI 1mroB 261 :KEGTVGSV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 69 :NTVRKHLSQVK 1mroB 271 :DLVERALEDGV Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:3.09001 Ang H7.CD2 and G13.CA other bump:2.51437 Ang H7.NE2 and G13.CA other bump:2.8928 Ang H7.CD2 and G13.N other bump:2.66173 Ang H7.CE1 and G13.N other bump:2.30788 Ang H7.NE2 and G13.N other bump:2.50859 Ang H7.CE1 and K12.C other bump:2.47151 Ang H7.ND1 and K12.CB other bump:2.41641 Ang H7.CE1 and K12.CB other bump:3.01259 Ang H7.CE1 and K12.CA neighbor-bump: 2.31461 Ang Q10.O and V11.CB neighbor-bump: 2.5196 Ang Q10.C and V11.CB T0187 80 :GGRFAERVFPAK 1mroB 354 :GTAVGFSFFSHS Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.85523 Ang V9.CG2 and K13.NZ other bump:2.75329 Ang V9.CB and K13.NZ other bump:1.97337 Ang V9.CG1 and K13.NZ other bump:2.28601 Ang V9.O and K13.CG other bump:3.21608 Ang V9.C and K13.CG other bump:1.96752 Ang E7.O and P11.CD other bump:3.06036 Ang E7.C and P11.CD neighbor-bump: 2.31122 Ang F10.N and P11.CD neighbor-bump: 2.23099 Ang F10.CA and P11.CD neighbor-bump: 1.60482 Ang F10.C and P11.CD self-bump: 1.31244 Ang P11.N and P11.CD other bump:1.80074 Ang E7.O and P11.CG other bump:2.98553 Ang E7.C and P11.CG neighbor-bump: 2.6686 Ang F10.C and P11.CG self-bump: 2.17118 Ang P11.N and P11.CG T0187 98 :SDVLGDRLDVIAS 1mroB 383 :RHSKGFAIPCVAA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.86453 Ang V4.CG2 and R8.NH2 other bump:2.61959 Ang V4.CG2 and R8.NH1 other bump:2.09775 Ang V4.CG2 and R8.CZ other bump:1.92389 Ang V4.CG2 and R8.NE other bump:2.32309 Ang V4.CG2 and R8.CD other bump:3.12997 Ang V4.CG2 and R8.CG other bump:2.93312 Ang V4.CG1 and D7.CB T0187 112 :PAWPDSSTSEDA 1mroB 400 :DAGTQMFSPEAT Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.13204 Ang W4.CZ2 and E11.OE2 other bump:1.93374 Ang W4.CZ3 and E11.OE2 other bump:1.08216 Ang W4.CH2 and E11.OE2 other bump:3.13685 Ang W4.CE3 and E11.OE2 other bump:1.16756 Ang W4.CZ3 and E11.OE1 other bump:2.07204 Ang W4.CH2 and E11.OE1 other bump:2.33471 Ang W4.CE3 and E11.OE1 other bump:3.05275 Ang W4.CZ2 and E11.CD other bump:1.56773 Ang W4.CZ3 and E11.CD other bump:1.75509 Ang W4.CH2 and E11.CD other bump:2.86258 Ang W4.CE3 and E11.CD other bump:2.91527 Ang W4.CZ3 and E11.CG other bump:3.19584 Ang W4.CH2 and E11.CG other bump:2.47141 Ang D6.O and T9.CG2 neighbor-bump: 2.34402 Ang W4.N and P5.CD neighbor-bump: 2.47558 Ang A3.C and W4.CD1 neighbor-bump: 2.25719 Ang A3.O and W4.CD1 T0187 124 :LKVLEKYGIE 1mroB 413 :GLIKEVFSQV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 134 :TSESVKRAILQETPKH 1mroB 427 :EPLKYVVEAAAEIKNE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.6992 Ang R8.NH1 and L11.CD1 Number of specific fragments= 16 total=1243 Number of alignments=296 # Reading fragments from alignment file # T0187 read from T0187-1mroB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1mroB read from T0187-1mroB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1mroB in template set T0187 1 :PVPD 1mroB 2 :AKFE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.34288 Ang V2.CG2 and P3.CD neighbor-bump: 2.61685 Ang V2.N and P3.CD T0187 5 :ENTIKTTRR 1mroB 35 :IKSIVQGIK Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39736 Ang K6.CD and R10.NH2 other bump:1.36061 Ang K6.CE and R10.NH2 other bump:1.96042 Ang K6.NZ and R10.NH2 other bump:2.54566 Ang K6.CE and R10.CZ other bump:3.25827 Ang K6.CE and R10.NE other bump:2.67436 Ang I5.CG2 and R9.NH2 other bump:2.0747 Ang I5.CG2 and R9.NH1 other bump:2.48635 Ang I5.CG2 and R9.CZ other bump:2.25628 Ang T4.O and T8.OG1 T0187 14 :VLELV 1mroB 53 :IENAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 19 :DQLN 1mroB 65 :PACK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 23 :END 1mroB 97 :EDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 31 :LSGGG 1mroB 105 :LLGGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 36 :SSL 1mroB 118 :SAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 39 :FELPLEGV 1mroB 178 :MLDIPQKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 47 :SLEEIQKLTSALLK 1mroB 207 :NTLQAAALSTILEQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 61 :SGASIEEI 1mroB 261 :KEGTVGSV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 69 :NTVRKHLSQ 1mroB 271 :DLVERALED Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 80 :GGRFAERVFPAK 1mroB 354 :GTAVGFSFFSHS Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.85523 Ang V9.CG2 and K13.NZ other bump:2.75329 Ang V9.CB and K13.NZ other bump:1.97337 Ang V9.CG1 and K13.NZ other bump:2.28601 Ang V9.O and K13.CG other bump:3.21608 Ang V9.C and K13.CG other bump:1.96752 Ang E7.O and P11.CD other bump:3.06036 Ang E7.C and P11.CD neighbor-bump: 2.31122 Ang F10.N and P11.CD neighbor-bump: 2.23099 Ang F10.CA and P11.CD neighbor-bump: 1.60482 Ang F10.C and P11.CD self-bump: 1.31244 Ang P11.N and P11.CD other bump:1.80074 Ang E7.O and P11.CG other bump:2.98553 Ang E7.C and P11.CG neighbor-bump: 2.6686 Ang F10.C and P11.CG self-bump: 2.17118 Ang P11.N and P11.CG T0187 98 :SDVLGDRLDVIAS 1mroB 383 :RHSKGFAIPCVAA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.86453 Ang V4.CG2 and R8.NH2 other bump:2.61959 Ang V4.CG2 and R8.NH1 other bump:2.09775 Ang V4.CG2 and R8.CZ other bump:1.92389 Ang V4.CG2 and R8.NE other bump:2.32309 Ang V4.CG2 and R8.CD other bump:3.12997 Ang V4.CG2 and R8.CG other bump:2.93312 Ang V4.CG1 and D7.CB T0187 112 :PAWPDSSTSEDA 1mroB 400 :DAGTQMFSPEAT Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.13204 Ang W4.CZ2 and E11.OE2 other bump:1.93374 Ang W4.CZ3 and E11.OE2 other bump:1.08216 Ang W4.CH2 and E11.OE2 other bump:3.13685 Ang W4.CE3 and E11.OE2 other bump:1.16756 Ang W4.CZ3 and E11.OE1 other bump:2.07204 Ang W4.CH2 and E11.OE1 other bump:2.33471 Ang W4.CE3 and E11.OE1 other bump:3.05275 Ang W4.CZ2 and E11.CD other bump:1.56773 Ang W4.CZ3 and E11.CD other bump:1.75509 Ang W4.CH2 and E11.CD other bump:2.86258 Ang W4.CE3 and E11.CD other bump:2.91527 Ang W4.CZ3 and E11.CG other bump:3.19584 Ang W4.CH2 and E11.CG other bump:2.47141 Ang D6.O and T9.CG2 neighbor-bump: 2.34402 Ang W4.N and P5.CD neighbor-bump: 2.47558 Ang A3.C and W4.CD1 neighbor-bump: 2.25719 Ang A3.O and W4.CD1 T0187 124 :LKVLEKYGIE 1mroB 413 :GLIKEVFSQV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 134 :TSESVKRAILQETPKH 1mroB 427 :EPLKYVVEAAAEIKNE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.6992 Ang R8.NH1 and L11.CD1 Number of specific fragments= 16 total=1259 Number of alignments=297 # Reading fragments from alignment file # T0187 read from T0187-1mroB-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1mroB read from T0187-1mroB-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1mroB in template set T0187 6 :NTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVS 1mroB 81 :NAESIAAAAKEMIQVTEDDDTNVELLGGGKRALVQVPSARFD Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.56089 Ang Q16.CA and E40.OE2 other bump:1.2289 Ang Q16.CB and E40.OE2 other bump:1.66514 Ang Q16.CG and E40.OE2 other bump:1.8848 Ang Q16.CD and E40.OE2 other bump:2.16513 Ang Q16.OE1 and E40.OE2 other bump:2.43171 Ang Q16.CB and E40.CD other bump:2.48256 Ang Q16.CG and E40.CD other bump:1.79782 Ang Q16.CD and E40.CD other bump:1.58757 Ang Q16.OE1 and E40.CD other bump:2.59751 Ang Q16.NE2 and E40.CG other bump:2.88444 Ang Q16.CG and E40.CG other bump:1.72744 Ang Q16.CD and E40.CG other bump:0.58984 Ang Q16.OE1 and E40.CG other bump:2.98456 Ang Q16.CD and E40.CB other bump:2.02833 Ang Q16.OE1 and E40.CB other bump:2.90447 Ang Q16.OE1 and E40.CA other bump:2.31893 Ang V14.CG2 and L37.CD2 other bump:3.08809 Ang S33.CB and F35.CE2 other bump:2.13388 Ang L24.CD2 and F35.CE1 other bump:1.74125 Ang L24.CD2 and F35.CD1 neighbor-bump: 2.60045 Ang L27.C and S28.CB other bump:2.85827 Ang L11.CD1 and L24.CD1 other bump:2.54427 Ang L11.CA and L24.CD1 other bump:2.37242 Ang L11.CB and L24.CD1 other bump:2.8061 Ang L11.N and L24.CD1 other bump:2.72278 Ang L11.CD1 and L24.CG other bump:2.02218 Ang N20.ND2 and T22.OG1 other bump:2.77986 Ang L11.CD1 and T22.CG2 other bump:1.93291 Ang L17.O and N20.OD1 other bump:2.27788 Ang E12.O and D15.OD1 other bump:2.24067 Ang L11.O and D15.OD1 other bump:2.58024 Ang E12.C and D15.OD1 other bump:1.72392 Ang R9.NH1 and E12.OE1 other bump:2.53343 Ang R8.NH1 and L11.CD2 T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHL 1mroB 133 :VTATAFVQAIINEFDVSMYDANMVKAAV Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.82912 Ang E4.CA and L29.CD2 other bump:2.62041 Ang E4.CG and L29.CD2 other bump:2.39876 Ang E4.O and L29.CD2 other bump:2.90008 Ang E4.C and L29.CD2 other bump:2.51287 Ang T24.O and H28.CD2 other bump:2.32903 Ang E4.OE2 and R26.NH1 other bump:2.20737 Ang E4.OE2 and R26.CZ other bump:3.01523 Ang L8.CD1 and V25.C other bump:2.50033 Ang L8.CD1 and V25.CG1 other bump:2.87677 Ang L8.CD1 and V25.CB other bump:2.00932 Ang L12.CD1 and I22.CD1 other bump:2.66691 Ang L12.CB and I22.CD1 other bump:1.58101 Ang L12.CG and I22.CD1 other bump:0.799742 Ang L12.CD2 and I22.CD1 other bump:1.92516 Ang L12.CD1 and I22.CG1 other bump:2.55808 Ang L12.CG and I22.CG1 other bump:2.29439 Ang L12.CD2 and I22.CG1 other bump:3.01963 Ang L12.CD2 and A17.CB Number of specific fragments= 2 total=1261 Number of alignments=298 # Reading fragments from alignment file # T0187 read from T0187-1mroB-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1mroB read from T0187-1mroB-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1mroB in template set T0187 8 :IKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVS 1mroB 83 :ESIAAAAKEMIQVTEDDDTNVELLGGGKRALVQVPSARFD Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.2289 Ang Q14.CB and E38.OE2 other bump:1.8848 Ang Q14.CD and E38.OE2 other bump:2.16513 Ang Q14.OE1 and E38.OE2 other bump:2.56089 Ang Q14.CA and E38.OE2 other bump:1.66514 Ang Q14.CG and E38.OE2 other bump:2.43171 Ang Q14.CB and E38.CD other bump:1.79782 Ang Q14.CD and E38.CD other bump:1.58757 Ang Q14.OE1 and E38.CD other bump:2.48256 Ang Q14.CG and E38.CD other bump:2.59751 Ang Q14.NE2 and E38.CG other bump:1.72744 Ang Q14.CD and E38.CG other bump:0.58984 Ang Q14.OE1 and E38.CG other bump:2.88444 Ang Q14.CG and E38.CG other bump:2.98456 Ang Q14.CD and E38.CB other bump:2.02833 Ang Q14.OE1 and E38.CB other bump:2.90447 Ang Q14.OE1 and E38.CA other bump:2.31893 Ang V12.CG2 and L35.CD2 other bump:3.08809 Ang S31.CB and F33.CE2 other bump:2.13388 Ang L22.CD2 and F33.CE1 other bump:1.74125 Ang L22.CD2 and F33.CD1 neighbor-bump: 2.60045 Ang L25.C and S26.CB other bump:2.85827 Ang L9.CD1 and L22.CD1 other bump:2.8061 Ang L9.N and L22.CD1 other bump:2.54427 Ang L9.CA and L22.CD1 other bump:2.37241 Ang L9.CB and L22.CD1 other bump:2.72278 Ang L9.CD1 and L22.CG other bump:2.02218 Ang N18.ND2 and T20.OG1 other bump:2.77986 Ang L9.CD1 and T20.CG2 other bump:1.93291 Ang L15.O and N18.OD1 other bump:2.27788 Ang E10.O and D13.OD1 other bump:2.24067 Ang L9.O and D13.OD1 other bump:2.58024 Ang E10.C and D13.OD1 other bump:1.72392 Ang R7.NH1 and E10.OE1 other bump:2.53342 Ang R6.NH1 and L9.CD2 T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKH 1mroB 133 :VTATAFVQAIINEFDVSMYDANMVKAA Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.51287 Ang T24.O and H28.CD2 other bump:2.32903 Ang E4.OE2 and R26.NH1 other bump:2.20737 Ang E4.OE2 and R26.CZ other bump:3.01523 Ang L8.CD1 and V25.C other bump:2.50033 Ang L8.CD1 and V25.CG1 other bump:2.87677 Ang L8.CD1 and V25.CB other bump:2.00932 Ang L12.CD1 and I22.CD1 other bump:2.66691 Ang L12.CB and I22.CD1 other bump:1.58101 Ang L12.CG and I22.CD1 other bump:0.799742 Ang L12.CD2 and I22.CD1 other bump:1.92516 Ang L12.CD1 and I22.CG1 other bump:2.55808 Ang L12.CG and I22.CG1 other bump:2.29439 Ang L12.CD2 and I22.CG1 other bump:3.01963 Ang L12.CD2 and A17.CB Number of specific fragments= 2 total=1263 Number of alignments=299 # Reading fragments from alignment file # T0187 read from T0187-1mroB-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1mroB read from T0187-1mroB-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1mroB in template set T0187 6 :NTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVS 1mroB 81 :NAESIAAAAKEMIQVTEDDDTNVELLGGGKRALVQVPSARFD Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.56089 Ang Q16.CA and E40.OE2 other bump:1.2289 Ang Q16.CB and E40.OE2 other bump:1.66514 Ang Q16.CG and E40.OE2 other bump:1.8848 Ang Q16.CD and E40.OE2 other bump:2.16513 Ang Q16.OE1 and E40.OE2 other bump:2.43171 Ang Q16.CB and E40.CD other bump:2.48256 Ang Q16.CG and E40.CD other bump:1.79782 Ang Q16.CD and E40.CD other bump:1.58757 Ang Q16.OE1 and E40.CD other bump:2.59751 Ang Q16.NE2 and E40.CG other bump:2.88444 Ang Q16.CG and E40.CG other bump:1.72744 Ang Q16.CD and E40.CG other bump:0.58984 Ang Q16.OE1 and E40.CG other bump:2.98456 Ang Q16.CD and E40.CB other bump:2.02833 Ang Q16.OE1 and E40.CB other bump:2.90447 Ang Q16.OE1 and E40.CA other bump:2.31893 Ang V14.CG2 and L37.CD2 other bump:3.08809 Ang S33.CB and F35.CE2 other bump:2.13388 Ang L24.CD2 and F35.CE1 other bump:1.74125 Ang L24.CD2 and F35.CD1 neighbor-bump: 2.60045 Ang L27.C and S28.CB other bump:2.85827 Ang L11.CD1 and L24.CD1 other bump:2.54427 Ang L11.CA and L24.CD1 other bump:2.37242 Ang L11.CB and L24.CD1 other bump:2.8061 Ang L11.N and L24.CD1 other bump:2.72278 Ang L11.CD1 and L24.CG other bump:2.02218 Ang N20.ND2 and T22.OG1 other bump:2.77986 Ang L11.CD1 and T22.CG2 other bump:1.93291 Ang L17.O and N20.OD1 other bump:2.27788 Ang E12.O and D15.OD1 other bump:2.24067 Ang L11.O and D15.OD1 other bump:2.58024 Ang E12.C and D15.OD1 other bump:1.72392 Ang R9.NH1 and E12.OE1 other bump:2.53343 Ang R8.NH1 and L11.CD2 T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKHL 1mroB 133 :VTATAFVQAIINEFDVSMYDANMVKAAV Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.82912 Ang E4.CA and L29.CD2 other bump:2.62041 Ang E4.CG and L29.CD2 other bump:2.39876 Ang E4.O and L29.CD2 other bump:2.90008 Ang E4.C and L29.CD2 other bump:2.51287 Ang T24.O and H28.CD2 other bump:2.32903 Ang E4.OE2 and R26.NH1 other bump:2.20737 Ang E4.OE2 and R26.CZ other bump:3.01523 Ang L8.CD1 and V25.C other bump:2.50033 Ang L8.CD1 and V25.CG1 other bump:2.87677 Ang L8.CD1 and V25.CB other bump:2.00932 Ang L12.CD1 and I22.CD1 other bump:2.66691 Ang L12.CB and I22.CD1 other bump:1.58101 Ang L12.CG and I22.CD1 other bump:0.799742 Ang L12.CD2 and I22.CD1 other bump:1.92516 Ang L12.CD1 and I22.CG1 other bump:2.55808 Ang L12.CG and I22.CG1 other bump:2.29439 Ang L12.CD2 and I22.CG1 other bump:3.01963 Ang L12.CD2 and A17.CB Number of specific fragments= 2 total=1265 Number of alignments=300 # Reading fragments from alignment file # T0187 read from T0187-1mroB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1mroB read from T0187-1mroB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1mroB in template set T0187 8 :IKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVS 1mroB 83 :ESIAAAAKEMIQVTEDDDTNVELLGGGKRALVQVPSARFD Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.2289 Ang Q14.CB and E38.OE2 other bump:1.8848 Ang Q14.CD and E38.OE2 other bump:2.16513 Ang Q14.OE1 and E38.OE2 other bump:2.56089 Ang Q14.CA and E38.OE2 other bump:1.66514 Ang Q14.CG and E38.OE2 other bump:2.43171 Ang Q14.CB and E38.CD other bump:1.79782 Ang Q14.CD and E38.CD other bump:1.58757 Ang Q14.OE1 and E38.CD other bump:2.48256 Ang Q14.CG and E38.CD other bump:2.59751 Ang Q14.NE2 and E38.CG other bump:1.72744 Ang Q14.CD and E38.CG other bump:0.58984 Ang Q14.OE1 and E38.CG other bump:2.88444 Ang Q14.CG and E38.CG other bump:2.98456 Ang Q14.CD and E38.CB other bump:2.02833 Ang Q14.OE1 and E38.CB other bump:2.90447 Ang Q14.OE1 and E38.CA other bump:2.31893 Ang V12.CG2 and L35.CD2 other bump:3.08809 Ang S31.CB and F33.CE2 other bump:2.13388 Ang L22.CD2 and F33.CE1 other bump:1.74125 Ang L22.CD2 and F33.CD1 neighbor-bump: 2.60045 Ang L25.C and S26.CB other bump:2.85827 Ang L9.CD1 and L22.CD1 other bump:2.8061 Ang L9.N and L22.CD1 other bump:2.54427 Ang L9.CA and L22.CD1 other bump:2.37241 Ang L9.CB and L22.CD1 other bump:2.72278 Ang L9.CD1 and L22.CG other bump:2.02218 Ang N18.ND2 and T20.OG1 other bump:2.77986 Ang L9.CD1 and T20.CG2 other bump:1.93291 Ang L15.O and N18.OD1 other bump:2.27788 Ang E10.O and D13.OD1 other bump:2.24067 Ang L9.O and D13.OD1 other bump:2.58024 Ang E10.C and D13.OD1 other bump:1.72392 Ang R7.NH1 and E10.OE1 other bump:2.53342 Ang R6.NH1 and L9.CD2 T0187 48 :LEEIQKLTSALLKSGASIEEINTVRKH 1mroB 133 :VTATAFVQAIINEFDVSMYDANMVKAA Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.51287 Ang T24.O and H28.CD2 other bump:2.32903 Ang E4.OE2 and R26.NH1 other bump:2.20737 Ang E4.OE2 and R26.CZ other bump:3.01523 Ang L8.CD1 and V25.C other bump:2.50033 Ang L8.CD1 and V25.CG1 other bump:2.87677 Ang L8.CD1 and V25.CB other bump:2.00932 Ang L12.CD1 and I22.CD1 other bump:2.66691 Ang L12.CB and I22.CD1 other bump:1.58101 Ang L12.CG and I22.CD1 other bump:0.799742 Ang L12.CD2 and I22.CD1 other bump:1.92516 Ang L12.CD1 and I22.CG1 other bump:2.55808 Ang L12.CG and I22.CG1 other bump:2.29439 Ang L12.CD2 and I22.CG1 other bump:3.01963 Ang L12.CD2 and A17.CB Number of specific fragments= 2 total=1267 Number of alignments=301 # Reading fragments from alignment file # T0187 read from T0187-1mroB-local-adpstyle1.pw.a2m.gz # 1mroB read from T0187-1mroB-local-adpstyle1.pw.a2m.gz # found chain 1mroB in template set T0187 16 :ELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLE 1mroB 91 :EMIQVTEDDDTNVELLGGGKRALVQVPSARFDVA Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:1.2289 Ang Q6.CB and E30.OE2 other bump:1.8848 Ang Q6.CD and E30.OE2 other bump:2.16513 Ang Q6.OE1 and E30.OE2 other bump:1.66514 Ang Q6.CG and E30.OE2 other bump:2.56089 Ang Q6.CA and E30.OE2 other bump:2.43171 Ang Q6.CB and E30.CD other bump:1.79782 Ang Q6.CD and E30.CD other bump:1.58757 Ang Q6.OE1 and E30.CD other bump:2.48256 Ang Q6.CG and E30.CD other bump:2.59751 Ang Q6.NE2 and E30.CG other bump:1.72744 Ang Q6.CD and E30.CG other bump:0.58984 Ang Q6.OE1 and E30.CG other bump:2.88444 Ang Q6.CG and E30.CG other bump:2.98456 Ang Q6.CD and E30.CB other bump:2.02833 Ang Q6.OE1 and E30.CB other bump:2.90447 Ang Q6.OE1 and E30.CA other bump:2.31893 Ang V4.CG2 and L27.CD2 other bump:3.08809 Ang S23.CB and F25.CE2 other bump:2.13388 Ang L14.CD2 and F25.CE1 other bump:1.74125 Ang L14.CD2 and F25.CD1 neighbor-bump: 2.60045 Ang L17.C and S18.CB other bump:2.02218 Ang N10.ND2 and T12.OG1 other bump:1.93291 Ang L7.O and N10.OD1 other bump:2.27788 Ang E2.O and D5.OD1 other bump:2.58024 Ang E2.C and D5.OD1 other bump:2.24067 Ang G1.O and D5.OD1 Number of specific fragments= 1 total=1268 Number of alignments=302 # Reading fragments from alignment file # T0187 read from T0187-1mroB-local-adpstyle5.pw.a2m.gz # 1mroB read from T0187-1mroB-local-adpstyle5.pw.a2m.gz # found chain 1mroB in template set T0187 9 :KTTRRVL 1mroB 87 :AAAKEMI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 19 :DQLNENDTVLFLLSGGGSSLFELPLEGVSLEEIQKL 1mroB 94 :QVTEDDDTNVELLGGGKRALVQVPSARFDVAAEYSA Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.768 Ang L24.CD1 and G38.CA other bump:2.02865 Ang E32.CG and L37.CD2 other bump:1.72449 Ang E32.CD and L37.CD2 other bump:2.68938 Ang E32.OE1 and L37.CD2 other bump:1.67899 Ang E32.OE2 and L37.CD2 other bump:2.89087 Ang E32.CD and L37.CD1 other bump:2.7269 Ang E32.OE1 and L37.CD1 other bump:2.79023 Ang E32.CD and L37.CG neighbor-bump: 2.7711 Ang I34.CG2 and Q35.CG neighbor-bump: 2.31125 Ang I34.CG2 and Q35.N self-bump: 1.34425 Ang I34.CA and I34.CB other bump:2.35573 Ang G28.O and E32.CG other bump:1.2289 Ang Q3.CB and E27.OE2 other bump:1.88478 Ang Q3.CD and E27.OE2 other bump:2.16512 Ang Q3.OE1 and E27.OE2 other bump:2.56089 Ang Q3.CA and E27.OE2 other bump:1.66512 Ang Q3.CG and E27.OE2 other bump:2.43171 Ang Q3.CB and E27.CD other bump:1.7978 Ang Q3.CD and E27.CD other bump:1.58756 Ang Q3.OE1 and E27.CD other bump:2.48255 Ang Q3.CG and E27.CD other bump:2.59748 Ang Q3.NE2 and E27.CG other bump:1.72742 Ang Q3.CD and E27.CG other bump:0.589815 Ang Q3.OE1 and E27.CG other bump:2.88442 Ang Q3.CG and E27.CG other bump:2.98455 Ang Q3.CD and E27.CB other bump:2.02832 Ang Q3.OE1 and E27.CB other bump:2.90447 Ang Q3.OE1 and E27.CA other bump:3.08809 Ang S20.CB and F22.CE2 other bump:2.13388 Ang L11.CD2 and F22.CE1 other bump:1.74125 Ang L11.CD2 and F22.CD1 neighbor-bump: 2.60045 Ang L14.C and S15.CB other bump:2.02218 Ang N7.ND2 and T9.OG1 other bump:1.93291 Ang L4.O and N7.OD1 Number of specific fragments= 2 total=1270 Number of alignments=303 # Reading fragments from alignment file # T0187 read from T0187-1mroB-simpleSW-adpstyle1.pw.a2m.gz # 1mroB read from T0187-1mroB-simpleSW-adpstyle1.pw.a2m.gz # found chain 1mroB in template set T0187 16 :ELVDQLNENDTVLFLLSGGGSSLFELP 1mroB 91 :EMIQVTEDDDTNVELLGGGKRALVQVP Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.31893 Ang V4.CG2 and L27.CD2 other bump:3.08809 Ang S23.CB and F25.CE2 other bump:2.13388 Ang L14.CD2 and F25.CE1 other bump:1.74125 Ang L14.CD2 and F25.CD1 neighbor-bump: 2.60045 Ang L17.C and S18.CB other bump:2.02218 Ang N10.ND2 and T12.OG1 other bump:1.93291 Ang L7.O and N10.OD1 other bump:2.27788 Ang E2.O and D5.OD1 other bump:2.24067 Ang G1.O and D5.OD1 other bump:2.58024 Ang E2.C and D5.OD1 Number of specific fragments= 1 total=1271 Number of alignments=304 # Reading fragments from alignment file # T0187 read from T0187-1mroB-simpleSW-adpstyle5.pw.a2m.gz # 1mroB read from T0187-1mroB-simpleSW-adpstyle5.pw.a2m.gz # found chain 1mroB in template set T0187 16 :ELVDQLNENDTVLFLLSGGGSSLFELPL 1mroB 91 :EMIQVTEDDDTNVELLGGGKRALVQVPS Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.90447 Ang Q6.OE1 and G30.CA other bump:2.31893 Ang V4.CG2 and L27.CD2 other bump:3.08809 Ang S23.CB and F25.CE2 other bump:2.13388 Ang L14.CD2 and F25.CE1 other bump:1.74125 Ang L14.CD2 and F25.CD1 neighbor-bump: 2.60045 Ang L17.C and S18.CB other bump:2.02218 Ang N10.ND2 and T12.OG1 other bump:1.93291 Ang L7.O and N10.OD1 other bump:2.27788 Ang E2.O and D5.OD1 other bump:2.58024 Ang E2.C and D5.OD1 other bump:2.24067 Ang G1.O and D5.OD1 Number of specific fragments= 1 total=1272 Number of alignments=305 # Reading fragments from alignment file # T0187 read from T0187-1mroB-vit-adpstyle1.pw.a2m.gz # 1mroB read from T0187-1mroB-vit-adpstyle1.pw.a2m.gz # found chain 1mroB in template set T0187 16 :ELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLE 1mroB 91 :EMIQVTEDDDTNVELLGGGKRALVQVPSARFDVA Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:1.2289 Ang Q6.CB and E30.OE2 other bump:1.8848 Ang Q6.CD and E30.OE2 other bump:2.16513 Ang Q6.OE1 and E30.OE2 other bump:1.66514 Ang Q6.CG and E30.OE2 other bump:2.56089 Ang Q6.CA and E30.OE2 other bump:2.43171 Ang Q6.CB and E30.CD other bump:1.79782 Ang Q6.CD and E30.CD other bump:1.58757 Ang Q6.OE1 and E30.CD other bump:2.48256 Ang Q6.CG and E30.CD other bump:2.59751 Ang Q6.NE2 and E30.CG other bump:1.72744 Ang Q6.CD and E30.CG other bump:0.58984 Ang Q6.OE1 and E30.CG other bump:2.88444 Ang Q6.CG and E30.CG other bump:2.98456 Ang Q6.CD and E30.CB other bump:2.02833 Ang Q6.OE1 and E30.CB other bump:2.90447 Ang Q6.OE1 and E30.CA other bump:2.31893 Ang V4.CG2 and L27.CD2 other bump:3.08809 Ang S23.CB and F25.CE2 other bump:2.13388 Ang L14.CD2 and F25.CE1 other bump:1.74125 Ang L14.CD2 and F25.CD1 neighbor-bump: 2.60045 Ang L17.C and S18.CB other bump:2.02218 Ang N10.ND2 and T12.OG1 other bump:1.93291 Ang L7.O and N10.OD1 other bump:2.27788 Ang E2.O and D5.OD1 other bump:2.58024 Ang E2.C and D5.OD1 other bump:2.24067 Ang G1.O and D5.OD1 Number of specific fragments= 1 total=1273 Number of alignments=306 # Reading fragments from alignment file # T0187 read from T0187-1mroB-vit-adpstyle5.pw.a2m.gz # 1mroB read from T0187-1mroB-vit-adpstyle5.pw.a2m.gz # found chain 1mroB in template set T0187 9 :KTTRRVL 1mroB 87 :AAAKEMI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 19 :DQLNENDTVLFLLSGGGSSLFELPLEGVSLEEIQKL 1mroB 94 :QVTEDDDTNVELLGGGKRALVQVPSARFDVAAEYSA Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.768 Ang L24.CD1 and G38.CA other bump:2.02865 Ang E32.CG and L37.CD2 other bump:1.72449 Ang E32.CD and L37.CD2 other bump:2.68938 Ang E32.OE1 and L37.CD2 other bump:1.67899 Ang E32.OE2 and L37.CD2 other bump:2.89087 Ang E32.CD and L37.CD1 other bump:2.7269 Ang E32.OE1 and L37.CD1 other bump:2.79023 Ang E32.CD and L37.CG neighbor-bump: 2.7711 Ang I34.CG2 and Q35.CG neighbor-bump: 2.31125 Ang I34.CG2 and Q35.N self-bump: 1.34425 Ang I34.CA and I34.CB other bump:2.35573 Ang G28.O and E32.CG other bump:1.2289 Ang Q3.CB and E27.OE2 other bump:1.88478 Ang Q3.CD and E27.OE2 other bump:2.16512 Ang Q3.OE1 and E27.OE2 other bump:2.56089 Ang Q3.CA and E27.OE2 other bump:1.66512 Ang Q3.CG and E27.OE2 other bump:2.43171 Ang Q3.CB and E27.CD other bump:1.7978 Ang Q3.CD and E27.CD other bump:1.58756 Ang Q3.OE1 and E27.CD other bump:2.48255 Ang Q3.CG and E27.CD other bump:2.59748 Ang Q3.NE2 and E27.CG other bump:1.72742 Ang Q3.CD and E27.CG other bump:0.589815 Ang Q3.OE1 and E27.CG other bump:2.88442 Ang Q3.CG and E27.CG other bump:2.98455 Ang Q3.CD and E27.CB other bump:2.02832 Ang Q3.OE1 and E27.CB other bump:2.90447 Ang Q3.OE1 and E27.CA other bump:3.08809 Ang S20.CB and F22.CE2 other bump:2.13388 Ang L11.CD2 and F22.CE1 other bump:1.74125 Ang L11.CD2 and F22.CD1 neighbor-bump: 2.60045 Ang L14.C and S15.CB other bump:2.02218 Ang N7.ND2 and T9.OG1 other bump:1.93291 Ang L4.O and N7.OD1 Number of specific fragments= 2 total=1275 Number of alignments=307 # Prefix for input files set to # command:# Prefix for input files set to # command:CPU_time= 72680 msec, elapsed time= 76498.6 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 307 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 308: T0187.rand+T0187-1dciA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz:1dciA at pool[189] 91.497 cost/residue, 473 clashes 0.73277 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 307 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 308: T0187.rand+T0187-1dciA-2track-...+T0187-1mroB-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1mroB at pool[136] 85.4326 cost/residue, 359 clashes 0.115628 breaks # 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 307 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 308: T0187.try1-al2+1i5nA-T0187-local-adpstyle1.pw.a2m.gz:1i5nA at pool[123] 83.7388 cost/residue, 350 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 307 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 308: T0187.try1-al2+1i5nA-T0187-local-adpstyle1.pw.a2m.gz:1i5nA 83.7388 cost/residue, 350 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 307 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 308: T0187.try1-al4+1xxcA-T0187-vit-adpstyle1.pw.a2m.gz:1xxcA at pool[166] 82.3547 cost/residue, 374 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 307 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 308: T0187.try1-al4+1xxcA-T0187-vit-adpstyle1.pw.a2m.gz:1xxcA 82.3547 cost/residue, 374 clashes # 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 307 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 308: T0187.try1-al6+1i5nA-T0187-local-adpstyle1.pw.a2m.gz:1i5nA at pool[301] 82.2898 cost/residue, 374 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 307 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 308: T0187.try1-al6+1i5nA-T0187-local-adpstyle1.pw.a2m.gz:1i5nA 82.2898 cost/residue, 374 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 307 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 308: T0187.try1-al8+1i5nA-T0187-local-adpstyle1.pw.a2m.gz:1i5nA at pool[124] 82.2789 cost/residue, 374 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 307 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 308: T0187.try1-al8+1i5nA-T0187-local-adpstyle1.pw.a2m.gz:1i5nA 82.2789 cost/residue, 374 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 307 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 308: T0187.try1-al10 82.2789 cost/residue, 374 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 307 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 308: T0187.try1-al10 82.2789 cost/residue, 374 clashes # command:# naming current conformation T0187.try1-al12 # command:# command:# CostConform T0187.try1-al12 costs 82.2789 T0187.try1-al10 costs 82.2789 T0187.try1-al10 costs 82.2789 T0187.try1-al8+1i5nA-T0187-local-adpstyle1.pw.a2m.gz:1i5nA costs 82.2789 T0187.try1-al8 costs 82.2898 T0187.try1-al6+1i5nA-T0187-local-adpstyle1.pw.a2m.gz:1i5nA costs 82.2898 T0187.try1-al6 costs 82.3547 T0187.try1-al4+1xxcA-T0187-vit-adpstyle1.pw.a2m.gz:1xxcA costs 82.3547 T0187.try1-al4 costs 83.7388 T0187.try1-al2+1i5nA-T0187-local-adpstyle1.pw.a2m.gz:1i5nA costs 83.7388 T0187.try1-al2 costs 85.4326 T0187.rand+T0187-1dciA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz:1dciA costs 91.497 T0187.rand costs 133.451 # command:CPU_time= 378250 msec, elapsed time= 382235 msec) # command:# Prefix for input files set to # command:# Reading fragments from alignment file # T0187 read from T0187.t2k.frag # 1kv9A.1.0 read from T0187.t2k.frag # adding 1kv9A to template set 1kv9A:# found chain 1kv9A in template set T0187 1 :PVPDENTIK 1kv9A 1 :AGVDEAAIR Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.65364 Ang E5.CD and K9.NZ other bump:2.23172 Ang E5.OE1 and K9.NZ other bump:2.95958 Ang E5.CG and K9.CE other bump:2.81305 Ang D4.N and T7.CG2 neighbor-bump: 2.46231 Ang V2.CB and P3.CD neighbor-bump: 2.40714 Ang V2.CG1 and P3.CD neighbor-bump: 2.9036 Ang V2.CG1 and P3.CG neighbor-bump: 2.50048 Ang P1.O and V2.CG2 self-bump: 1.37691 Ang V2.CA and V2.CB self-bump: 1.36234 Ang P1.N and P1.CD self-bump: 2.04742 Ang P1.N and P1.CG Number of specific fragments= 1 total=1276 # 1cs8A.1.1 read from T0187.t2k.frag # adding 1cs8A to template set 1cs8A:Skipped atom 255, because occupancy 0.5 <= existing 0.500001 Skipped atom 257, because occupancy 0.5 <= existing 0.500001 Skipped atom 259, because occupancy 0.5 <= existing 0.500001 Skipped atom 261, because occupancy 0.5 <= existing 0.500001 Skipped atom 265, because occupancy 0.5 <= existing 0.500001 Skipped atom 267, because occupancy 0.5 <= existing 0.500001 Skipped atom 269, because occupancy 0.5 <= existing 0.500001 Skipped atom 271, because occupancy 0.5 <= existing 0.500001 Skipped atom 273, because occupancy 0.5 <= existing 0.500001 Skipped atom 275, because occupancy 0 <= existing 1e-06 Skipped atom 277, because occupancy 0 <= existing 1e-06 Skipped atom 279, because occupancy 0 <= existing 1e-06 Skipped atom 283, because occupancy 0.5 <= existing 0.500001 Skipped atom 285, because occupancy 0.5 <= existing 0.500001 Skipped atom 287, because occupancy 0.5 <= existing 0.500001 Skipped atom 289, because occupancy 0.5 <= existing 0.500001 Skipped atom 291, because occupancy 0.5 <= existing 0.500001 Skipped atom 293, because occupancy 0 <= existing 1e-06 Skipped atom 295, because occupancy 0 <= existing 1e-06 Skipped atom 297, because occupancy 0 <= existing 1e-06 Skipped atom 320, because occupancy 0.5 <= existing 0.500001 Skipped atom 322, because occupancy 0.5 <= existing 0.500001 Skipped atom 324, because occupancy 0.5 <= existing 0.500001 Skipped atom 326, because occupancy 0.5 <= existing 0.500001 Skipped atom 801, because occupancy 0.5 <= existing 0.500001 Skipped atom 803, because occupancy 0.5 <= existing 0.500001 Skipped atom 805, because occupancy 0.5 <= existing 0.500001 Skipped atom 807, because occupancy 0.5 <= existing 0.500001 WARNING: atom 1060 has residue number 1 < previous residue 96P Bad short name: OD3 for alphabet: pdb_atoms Skipped atom 2075, because occupancy 0.5 <= existing 0.500001 Skipped atom 2077, because occupancy 0.5 <= existing 0.500001 Skipped atom 2079, because occupancy 0.5 <= existing 0.500001 Skipped atom 2191, because occupancy 0.5 <= existing 0.500001 Skipped atom 2193, because occupancy 0 <= existing 1e-06 Skipped atom 2195, because occupancy 0 <= existing 1e-06 Skipped atom 2197, because occupancy 0 <= existing 1e-06 Skipped atom 2297, because occupancy 0.5 <= existing 0.500001 Skipped atom 2299, because occupancy 0.5 <= existing 0.500001 Skipped atom 2301, because occupancy 0.5 <= existing 0.500001 Skipped atom 2542, because occupancy 0.5 <= existing 0.500001 Skipped atom 2960, because occupancy 0.5 <= existing 0.500001 Skipped atom 2962, because occupancy 0.5 <= existing 0.500001 Skipped atom 2964, because occupancy 0.5 <= existing 0.500001 Skipped atom 3045, because occupancy 0.5 <= existing 0.500001 Skipped atom 3047, because occupancy 0.5 <= existing 0.500001 Skipped atom 3049, because occupancy 0.5 <= existing 0.500001 Skipped atom 3051, because occupancy 0.5 <= existing 0.500001 Skipped atom 3053, because occupancy 0.5 <= existing 0.500001 # found chain 1cs8A in template set T0187 1 :PVPDENTIK 1cs8A 2P:LTFDHSLEA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.60675 Ang E5.OE1 and I8.CD1 other bump:1.84377 Ang P1.O and P3.CD other bump:2.61777 Ang P1.C and P3.CD Number of specific fragments= 1 total=1277 # 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 :PVPDENTIK 1am7A 1 :MVEINNQRK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=1278 # 1c05A.1.0 read from T0187.t2k.frag # adding 1c05A to template set 1c05A:# found chain 1c05A in template set T0187 1 :PVPDENTIK 1c05A 1 :MKLSEYGLQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues self-bump: 1.31312 Ang P1.CA and P1.CB Number of specific fragments= 1 total=1279 # 1c05A.1.1 read from T0187.t2k.frag # found chain 1c05A in template set T0187 1 :PVPDENTIK 1c05A 2 :KLSEYGLQL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues self-bump: 2.33467 Ang D4.CA and D4.OD1 Number of specific fragments= 1 total=1280 # 1am7A.1.1 read from T0187.t2k.frag # found chain 1am7A in template set T0187 1 :PVPDENTIK 1am7A 2 :VEINNQRKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=1281 # 1c05A.2.2 read from T0187.t2k.frag # found chain 1c05A in template set T0187 2 :VPDENTIKT 1c05A 3 :LSEYGLQLQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03434 Ang V2.CG2 and N6.ND2 self-bump: 2.33467 Ang D4.CA and D4.OD1 Number of specific fragments= 1 total=1282 # 1cs8A.2.2 read from T0187.t2k.frag # found chain 1cs8A in template set T0187 2 :VPDENTIKT 1cs8A 3P:TFDHSLEAQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60675 Ang E5.OE1 and I8.CD1 other bump:1.77924 Ang G1.O and P3.CD other bump:2.53276 Ang G1.C and P3.CD Number of specific fragments= 1 total=1283 # 1am7A.2.2 read from T0187.t2k.frag # found chain 1am7A in template set T0187 2 :VPDENTIKT 1am7A 3 :EINNQRKAF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1284 # 1bmqA.2.2 read from T0187.t2k.frag # adding 1bmqA to template set 1bmqA:# found chain 1bmqA in template set T0187 2 :VPDENTIKT 1bmqA 133 :VKLCSLEEA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21235 Ang N6.OD1 and I8.N Number of specific fragments= 1 total=1285 # 1klpA.2.2 read from T0187.t2k.frag # adding 1klpA to template set 1klpA:# found chain 1klpA in template set T0187 2 :VPDENTIKT 1klpA 3 :VTQEEIIAG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.14547 Ang N6.C and T10.CB other bump:2.00397 Ang N6.O and T10.CB other bump:1.61523 Ang E5.CG and K9.NZ other bump:2.07474 Ang E5.CB and K9.NZ other bump:2.47936 Ang E5.CD and K9.NZ other bump:2.579 Ang E5.O and K9.CB other bump:2.25577 Ang D4.OD2 and I8.CD1 other bump:2.31965 Ang P3.CD and N6.ND2 other bump:2.74232 Ang P3.CD and N6.CG other bump:2.88527 Ang P3.CD and N6.CB other bump:2.38992 Ang G1.O and P3.CD Number of specific fragments= 1 total=1286 # 1dk4A.2.2 read from T0187.t2k.frag # adding 1dk4A to template set 1dk4A:# found chain 1dk4A in template set T0187 2 :VPDENTIKT 1dk4A 3 :WDEIGKNIA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38598 Ang P3.CA and P3.CB Number of specific fragments= 1 total=1287 # 1bmqA.3.3 read from T0187.t2k.frag # found chain 1bmqA in template set T0187 3 :PDENTIKTT 1bmqA 134 :KLCSLEEAQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21235 Ang N5.OD1 and I7.N Number of specific fragments= 1 total=1288 # 1cs8A.3.3 read from T0187.t2k.frag # found chain 1cs8A in template set T0187 3 :PDENTIKTT 1cs8A 4P:FDHSLEAQW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60675 Ang E4.OE1 and I7.CD1 Number of specific fragments= 1 total=1289 # 1dk4A.3.3 read from T0187.t2k.frag # found chain 1dk4A in template set T0187 3 :PDENTIKTT 1dk4A 4 :DEIGKNIAK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.15098 Ang P2.CA and P2.CG self-bump: 1.29751 Ang P2.CA and P2.CB Number of specific fragments= 1 total=1290 # 1g0hA.3.3 read from T0187.t2k.frag # adding 1g0hA to template set 1g0hA:# found chain 1g0hA in template set T0187 3 :PDENTIKTT 1g0hA 4 :DEIGKNIAK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52771 Ang D3.O and I7.CD1 Number of specific fragments= 1 total=1291 # 1c05A.3.3 read from T0187.t2k.frag # found chain 1c05A in template set T0187 3 :PDENTIKTT 1c05A 4 :SEYGLQLQE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.33467 Ang D3.CA and D3.OD1 Number of specific fragments= 1 total=1292 # 1am7A.3.3 read from T0187.t2k.frag # found chain 1am7A in template set T0187 3 :PDENTIKTT 1am7A 4 :INNQRKAFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1293 # 1bmqA.4.4 read from T0187.t2k.frag # found chain 1bmqA in template set T0187 4 :DENTIKTTR 1bmqA 135 :LCSLEEAQR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21236 Ang N4.OD1 and I6.N Number of specific fragments= 1 total=1294 # 1dk4A.4.4 read from T0187.t2k.frag # found chain 1dk4A in template set T0187 4 :DENTIKTTR 1dk4A 5 :EIGKNIAKE 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 # 1g0hA.4.4 read from T0187.t2k.frag # found chain 1g0hA in template set T0187 4 :DENTIKTTR 1g0hA 5 :EIGKNIAKE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52771 Ang D2.O and I6.CD1 Number of specific fragments= 1 total=1296 # 1cs8A.4.4 read from T0187.t2k.frag # found chain 1cs8A in template set T0187 4 :DENTIKTTR 1cs8A 5P:DHSLEAQWT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60675 Ang E3.OE1 and I6.CD1 Number of specific fragments= 1 total=1297 # 1c05A.4.4 read from T0187.t2k.frag # found chain 1c05A in template set T0187 4 :DENTIKTTR 1c05A 5 :EYGLQLQEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1298 # 1klpA.4.4 read from T0187.t2k.frag # found chain 1klpA in template set T0187 4 :DENTIKTTR 1klpA 5 :QEEIIAGIA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63856 Ang I6.O and R10.CB other bump:1.95034 Ang N4.O and T8.CB other bump:3.09146 Ang N4.C and T8.CB other bump:2.07474 Ang E3.CB and K7.NZ other bump:1.61523 Ang E3.CG and K7.NZ other bump:2.47936 Ang E3.CD and K7.NZ other bump:2.579 Ang E3.O and K7.CB other bump:2.32057 Ang D2.OD1 and I6.CD1 other bump:2.7741 Ang D2.OD2 and I6.CD1 Number of specific fragments= 1 total=1299 # 1dk4A.5.5 read from T0187.t2k.frag # found chain 1dk4A in template set T0187 5 :ENTIKTTRR 1dk4A 6 :IGKNIAKEI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1300 # 1bmqA.5.5 read from T0187.t2k.frag # found chain 1bmqA in template set T0187 5 :ENTIKTTRR 1bmqA 136 :CSLEEAQRI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.95511 Ang E2.OE1 and R10.NH2 other bump:2.46605 Ang E2.OE1 and R10.CZ other bump:2.21236 Ang N3.OD1 and I5.N Number of specific fragments= 1 total=1301 # 1g0hA.5.5 read from T0187.t2k.frag # found chain 1g0hA in template set T0187 5 :ENTIKTTRR 1g0hA 6 :IGKNIAKEI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52771 Ang G1.O and I5.CD1 Number of specific fragments= 1 total=1302 # 1cs8A.5.5 read from T0187.t2k.frag # found chain 1cs8A in template set T0187 5 :ENTIKTTRR 1cs8A 6P:HSLEAQWTK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1303 # 1klpA.5.5 read from T0187.t2k.frag # found chain 1klpA in template set T0187 5 :ENTIKTTRR 1klpA 6 :EEIIAGIAE Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.945957 Ang I5.CG2 and R9.NH2 other bump:2.37497 Ang I5.CB and R9.NH2 other bump:2.46872 Ang I5.CG2 and R9.NH1 other bump:1.90875 Ang I5.CG2 and R9.CZ other bump:3.1591 Ang I5.C and R9.CZ other bump:1.95034 Ang N3.O and T7.CB other bump:3.09146 Ang N3.C and T7.CB other bump:2.07474 Ang E2.CB and K6.NZ other bump:1.61523 Ang E2.CG and K6.NZ other bump:2.47936 Ang E2.CD and K6.NZ other bump:2.579 Ang E2.O and K6.CB Number of specific fragments= 1 total=1304 # 1c05A.5.5 read from T0187.t2k.frag # found chain 1c05A in template set T0187 5 :ENTIKTTRR 1c05A 6 :YGLQLQEKQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1305 # 1dk4A.6.6 read from T0187.t2k.frag # found chain 1dk4A in template set T0187 6 :NTIKTTRRV 1dk4A 7 :GKNIAKEIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1306 # 1g0hA.6.6 read from T0187.t2k.frag # found chain 1g0hA in template set T0187 6 :NTIKTTRRV 1g0hA 7 :GKNIAKEIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1307 # 1klpA.6.6 read from T0187.t2k.frag # found chain 1klpA in template set T0187 6 :NTIKTTRRV 1klpA 7 :EIIAGIAEI Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.945957 Ang I4.CG2 and R8.NH2 other bump:2.37497 Ang I4.CB and R8.NH2 other bump:2.46872 Ang I4.CG2 and R8.NH1 other bump:3.1591 Ang I4.C and R8.CZ other bump:1.90875 Ang I4.CG2 and R8.CZ other bump:1.95034 Ang N2.O and T6.CB other bump:3.09146 Ang N2.C and T6.CB other bump:2.579 Ang G1.O and K5.CB Number of specific fragments= 1 total=1308 # 1bmqA.6.6 read from T0187.t2k.frag # found chain 1bmqA in template set T0187 6 :NTIKTTRRV 1bmqA 137 :SLEEAQRIW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.25862 Ang R8.C and G11.N Number of specific fragments= 1 total=1309 # 2kinB.6.6 read from T0187.t2k.frag # adding 2kinB to template set 2kinB:# found chain 2kinB in template set T0187 6 :NTIKTTRRV 2kinB 258 :SLSALGNVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1310 # 1b4cA.6.6 read from T0187.t2k.frag # adding 1b4cA to template set 1b4cA:# found chain 1b4cA in template set T0187 6 :NTIKTTRRV 1b4cA 6 :AMVALIDVF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.23448 Ang K5.CE and R9.NE other bump:2.68028 Ang K5.CE and R8.NH2 Number of specific fragments= 1 total=1311 # 1klpA.7.7 read from T0187.t2k.frag # found chain 1klpA in template set T0187 7 :TIKTTRRVL 1klpA 8 :IIAGIAEII Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37497 Ang I3.CB and R7.NH2 other bump:0.945957 Ang I3.CG2 and R7.NH2 other bump:2.46872 Ang I3.CG2 and R7.NH1 other bump:3.1591 Ang I3.C and R7.CZ other bump:1.90875 Ang I3.CG2 and R7.CZ other bump:1.95034 Ang G1.O and T5.CB other bump:3.09146 Ang G1.C and T5.CB Number of specific fragments= 1 total=1312 # 1dk4A.7.7 read from T0187.t2k.frag # found chain 1dk4A in template set T0187 7 :TIKTTRRVL 1dk4A 8 :KNIAKEIEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1313 # 1g0hA.7.7 read from T0187.t2k.frag # found chain 1g0hA in template set T0187 7 :TIKTTRRVL 1g0hA 8 :KNIAKEIEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1314 # 1bmqA.7.7 read from T0187.t2k.frag # found chain 1bmqA in template set T0187 7 :TIKTTRRVL 1bmqA 138 :LEEAQRIWK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.25862 Ang R7.C and L10.N Number of specific fragments= 1 total=1315 # 1b4cA.7.7 read from T0187.t2k.frag # found chain 1b4cA in template set T0187 7 :TIKTTRRVL 1b4cA 7 :MVALIDVFH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.23448 Ang K4.CE and R8.NE other bump:2.68028 Ang K4.CE and R7.NH2 Number of specific fragments= 1 total=1316 # 2kinB.7.7 read from T0187.t2k.frag # found chain 2kinB in template set T0187 7 :TIKTTRRVL 2kinB 259 :LSALGNVIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1317 # 1klpA.8.8 read from T0187.t2k.frag # found chain 1klpA in template set T0187 8 :IKTTRRVLE 1klpA 9 :IAGIAEIIE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37497 Ang I2.CB and R6.NH2 other bump:0.945957 Ang I2.CG2 and R6.NH2 other bump:2.46872 Ang I2.CG2 and R6.NH1 other bump:3.1591 Ang I2.C and R6.CZ other bump:1.90875 Ang I2.CG2 and R6.CZ Number of specific fragments= 1 total=1318 # 1dk4A.8.8 read from T0187.t2k.frag # found chain 1dk4A in template set T0187 8 :IKTTRRVLE 1dk4A 9 :NIAKEIEKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1319 # 1g0hA.8.8 read from T0187.t2k.frag # found chain 1g0hA in template set T0187 8 :IKTTRRVLE 1g0hA 9 :NIAKEIEKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1320 # 1bmqA.8.8 read from T0187.t2k.frag # found chain 1bmqA in template set T0187 8 :IKTTRRVLE 1bmqA 139 :EEAQRIWKQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.25862 Ang R6.C and L9.N Number of specific fragments= 1 total=1321 # 1b4cA.8.8 read from T0187.t2k.frag # found chain 1b4cA in template set T0187 8 :IKTTRRVLE 1b4cA 8 :VALIDVFHQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.23448 Ang K3.CE and R7.NE other bump:2.68028 Ang K3.CE and R6.NH2 Number of specific fragments= 1 total=1322 # 1b5l.8.10 read from T0187.t2k.frag # adding 1b5l to template set 1b5l:# found chain 1b5l in template set T0187 8 :IKTTRRVLE 1b5l 11 :ARENLKLLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1323 # 1klpA.9.9 read from T0187.t2k.frag # found chain 1klpA in template set T0187 9 :KTTRRVLEL 1klpA 10 :AGIAEIIEE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.4959 Ang K2.CG and R6.NH1 other bump:3.10072 Ang K2.CG and R6.CZ other bump:3.1591 Ang G1.C and R5.CZ Number of specific fragments= 1 total=1324 # 1dk4A.9.9 read from T0187.t2k.frag # found chain 1dk4A in template set T0187 9 :KTTRRVLEL 1dk4A 10 :IAKEIEKEI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1325 # 1g0hA.9.9 read from T0187.t2k.frag # found chain 1g0hA in template set T0187 9 :KTTRRVLEL 1g0hA 10 :IAKEIEKEI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1326 # 1bmqA.9.9 read from T0187.t2k.frag # found chain 1bmqA in template set T0187 9 :KTTRRVLEL 1bmqA 140 :EAQRIWKQK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.25862 Ang R5.C and L8.N Number of specific fragments= 1 total=1327 # 1b4cA.9.9 read from T0187.t2k.frag # found chain 1b4cA in template set T0187 9 :KTTRRVLEL 1b4cA 9 :ALIDVFHQY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1328 # 1b5l.9.11 read from T0187.t2k.frag # found chain 1b5l in template set T0187 9 :KTTRRVLEL 1b5l 12 :RENLKLLDR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1329 # 1klpA.10.10 read from T0187.t2k.frag # found chain 1klpA in template set T0187 10 :TTRRVLELV 1klpA 11 :GIAEIIEEV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1330 # 1dk4A.10.10 read from T0187.t2k.frag # found chain 1dk4A in template set T0187 10 :TTRRVLELV 1dk4A 11 :AKEIEKEIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.53756 Ang V6.O and V10.CG2 Number of specific fragments= 1 total=1331 # 1g0hA.10.10 read from T0187.t2k.frag # found chain 1g0hA in template set T0187 10 :TTRRVLELV 1g0hA 11 :AKEIEKEIL 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 # 1b4cA.10.10 read from T0187.t2k.frag # found chain 1b4cA in template set T0187 10 :TTRRVLELV 1b4cA 10 :LIDVFHQYS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40648 Ang V6.O and V10.CG2 Number of specific fragments= 1 total=1333 # 1b5l.10.12 read from T0187.t2k.frag # found chain 1b5l in template set T0187 10 :TTRRVLELV 1b5l 13 :ENLKLLDRM 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 # 1bmqA.10.10 read from T0187.t2k.frag # found chain 1bmqA in template set T0187 10 :TTRRVLELV 1bmqA 141 :AQRIWKQKS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08825 Ang V6.C and V10.CG2 other bump:1.88557 Ang V6.O and V10.CG2 other bump:3.25862 Ang R4.C and L7.N Number of specific fragments= 1 total=1335 # 1klpA.11.11 read from T0187.t2k.frag # found chain 1klpA in template set T0187 11 :TRRVLELVD 1klpA 12 :IAEIIEEVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1336 # 1dk4A.11.11 read from T0187.t2k.frag # found chain 1dk4A in template set T0187 11 :TRRVLELVD 1dk4A 12 :KEIEKEILP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.53756 Ang V5.O and V9.CG2 Number of specific fragments= 1 total=1337 # 1g0hA.11.11 read from T0187.t2k.frag # found chain 1g0hA in template set T0187 11 :TRRVLELVD 1g0hA 12 :KEIEKEILP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1338 # 1b4cA.11.11 read from T0187.t2k.frag # found chain 1b4cA in template set T0187 11 :TRRVLELVD 1b4cA 11 :IDVFHQYSG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61737 Ang L6.CD2 and D10.OD2 other bump:2.5958 Ang L6.CG and D10.OD1 other bump:2.32959 Ang L6.CD2 and D10.OD1 other bump:2.85469 Ang L6.C and D10.OD1 other bump:2.13902 Ang L6.O and D10.OD1 other bump:2.76097 Ang L6.CD2 and D10.CG other bump:3.07576 Ang L6.C and D10.CG other bump:2.23189 Ang L6.O and D10.CG Number of specific fragments= 1 total=1339 # 1ctt.11.12 read from T0187.t2k.frag # adding 1ctt to template set 1ctt:# found chain 1ctt in template set T0187 11 :TRRVLELVD 1ctt 13 :ADNLQSALE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1340 # 1uxc.11.12 read from T0187.t2k.frag # adding 1uxc to template set 1uxc:# found chain 1uxc in template set T0187 11 :TRRVLELVD 1uxc 13 :SRTTASYVI Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.04881 Ang R3.O and E7.OE2 other bump:2.08088 Ang R3.C and E7.OE2 other bump:1.38331 Ang R3.O and E7.OE1 other bump:1.88595 Ang R3.C and E7.OE1 other bump:2.05417 Ang R4.N and E7.OE1 other bump:1.82479 Ang R4.CA and E7.OE1 other bump:2.21855 Ang R4.C and E7.OE1 other bump:1.13955 Ang R3.O and E7.CD other bump:2.22895 Ang R3.C and E7.CD other bump:2.84928 Ang R4.N and E7.CD other bump:2.77258 Ang R4.CA and E7.CD other bump:2.73816 Ang T2.OG1 and V5.CG1 other bump:2.32052 Ang T2.N and V5.CG1 Number of specific fragments= 1 total=1341 # 1klpA.12.12 read from T0187.t2k.frag # found chain 1klpA in template set T0187 12 :RRVLELVDQ 1klpA 13 :AEIIEEVTG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.96252 Ang L5.O and D9.OD1 Number of specific fragments= 1 total=1342 # 1dk4A.12.12 read from T0187.t2k.frag # found chain 1dk4A in template set T0187 12 :RRVLELVDQ 1dk4A 13 :EIEKEILPY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.53756 Ang V4.O and V8.CG2 Number of specific fragments= 1 total=1343 # 1g0hA.12.12 read from T0187.t2k.frag # found chain 1g0hA in template set T0187 12 :RRVLELVDQ 1g0hA 13 :EIEKEILPY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1344 # 1b4cA.12.12 read from T0187.t2k.frag # found chain 1b4cA in template set T0187 12 :RRVLELVDQ 1b4cA 12 :DVFHQYSGR Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.96883 Ang L5.O and D9.OD2 other bump:2.69902 Ang L5.C and D9.OD2 other bump:2.6272 Ang L5.CG and D9.OD2 other bump:2.34271 Ang L5.CD2 and D9.OD2 other bump:2.79316 Ang L5.C and D9.OD1 other bump:2.63147 Ang E6.CA and D9.OD1 other bump:2.07772 Ang L5.O and D9.CG other bump:2.93567 Ang L5.C and D9.CG other bump:2.83459 Ang L5.CD2 and D9.CG Number of specific fragments= 1 total=1345 # 1ctt.12.13 read from T0187.t2k.frag # found chain 1ctt in template set T0187 12 :RRVLELVDQ 1ctt 14 :DNLQSALEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1346 # 1c05A.12.12 read from T0187.t2k.frag # found chain 1c05A in template set T0187 12 :RRVLELVDQ 1c05A 13 :KQKLRHMYG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37484 Ang V8.CA and V8.CB Number of specific fragments= 1 total=1347 # 1klpA.13.13 read from T0187.t2k.frag # found chain 1klpA in template set T0187 13 :RVLELVDQL 1klpA 14 :EIIEEVTGI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63207 Ang E5.CB and L10.O other bump:2.71305 Ang D8.CG and L10.CD1 other bump:1.67613 Ang D8.OD2 and L10.CD1 other bump:2.51093 Ang D8.CG and L10.CG other bump:2.15087 Ang D8.OD2 and L10.CG other bump:1.96252 Ang L4.O and D8.OD1 Number of specific fragments= 1 total=1348 # 1dk4A.13.13 read from T0187.t2k.frag # found chain 1dk4A in template set T0187 13 :RVLELVDQL 1dk4A 14 :IEKEILPYF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.53756 Ang V3.O and V7.CG2 Number of specific fragments= 1 total=1349 # 1b4cA.13.13 read from T0187.t2k.frag # found chain 1b4cA in template set T0187 13 :RVLELVDQL 1b4cA 13 :VFHQYSGRE Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6272 Ang L4.CG and D8.OD2 other bump:2.34271 Ang L4.CD2 and D8.OD2 other bump:2.69902 Ang L4.C and D8.OD2 other bump:1.96883 Ang L4.O and D8.OD2 other bump:2.79316 Ang L4.C and D8.OD1 other bump:2.63147 Ang E5.CA and D8.OD1 other bump:2.83459 Ang L4.CD2 and D8.CG other bump:2.93567 Ang L4.C and D8.CG other bump:2.07772 Ang L4.O and D8.CG Number of specific fragments= 1 total=1350 # 1ctt.13.14 read from T0187.t2k.frag # found chain 1ctt in template set T0187 13 :RVLELVDQL 1ctt 15 :NLQSALEPI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1351 # 1g0hA.13.13 read from T0187.t2k.frag # found chain 1g0hA in template set T0187 13 :RVLELVDQL 1g0hA 14 :IEKEILPYF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01439 Ang R2.NE and L6.CD2 Number of specific fragments= 1 total=1352 # 1exzA.13.13 read from T0187.t2k.frag # adding 1exzA to template set 1exzA:# found chain 1exzA in template set T0187 13 :RVLELVDQL 1exzA 14 :DVTKLVANL 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 # 1klpA.14.14 read from T0187.t2k.frag # found chain 1klpA in template set T0187 14 :VLELVDQLN 1klpA 15 :IIEEVTGIE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63207 Ang E4.CB and L9.O other bump:2.71305 Ang D7.CG and L9.CD1 other bump:1.67613 Ang D7.OD2 and L9.CD1 other bump:2.51093 Ang D7.CG and L9.CG other bump:2.15087 Ang D7.OD2 and L9.CG other bump:1.96252 Ang L3.O and D7.OD1 Number of specific fragments= 1 total=1354 # 1b4cA.14.14 read from T0187.t2k.frag # found chain 1b4cA in template set T0187 14 :VLELVDQLN 1b4cA 14 :FHQYSGREG Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62721 Ang L3.CG and D7.OD2 other bump:2.34271 Ang L3.CD2 and D7.OD2 other bump:1.96883 Ang L3.O and D7.OD2 other bump:2.69902 Ang L3.C and D7.OD2 other bump:2.79316 Ang L3.C and D7.OD1 other bump:2.63147 Ang E4.CA and D7.OD1 other bump:2.83459 Ang L3.CD2 and D7.CG other bump:2.07772 Ang L3.O and D7.CG other bump:2.93567 Ang L3.C and D7.CG Number of specific fragments= 1 total=1355 # 1ctt.14.15 read from T0187.t2k.frag # found chain 1ctt in template set T0187 14 :VLELVDQLN 1ctt 16 :LQSALEPIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15753 Ang V6.CG1 and N10.ND2 Number of specific fragments= 1 total=1356 # 1exzA.14.14 read from T0187.t2k.frag # found chain 1exzA in template set T0187 14 :VLELVDQLN 1exzA 15 :VTKLVANLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1357 # 2kinB.14.14 read from T0187.t2k.frag # found chain 2kinB in template set T0187 14 :VLELVDQLN 2kinB 266 :ISALAEGTK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.94595 Ang L5.CD2 and N10.OD1 neighbor-bump: 2.54082 Ang D7.C and Q8.CB neighbor-bump: 2.15353 Ang D7.O and Q8.CB Number of specific fragments= 1 total=1358 # 1fua.14.14 read from T0187.t2k.frag # adding 1fua to template set 1fua:Skipped atom 617, because occupancy 0.5 <= existing 0.500001 Skipped atom 619, because occupancy 0.5 <= existing 0.500001 Skipped atom 621, because occupancy 0.5 <= existing 0.500001 Skipped atom 623, because occupancy 0.5 <= existing 0.500001 Skipped atom 843, because occupancy 0.49 <= existing 0.510001 Skipped atom 845, because occupancy 0.49 <= existing 0.510001 Skipped atom 1225, because occupancy 0.45 <= existing 0.550001 Skipped atom 1227, because occupancy 0.45 <= existing 0.550001 Skipped atom 1229, because occupancy 0.45 <= existing 0.550001 Skipped atom 1231, because occupancy 0.45 <= existing 0.550001 # found chain 1fua in template set T0187 14 :VLELVDQLN 1fua 15 :LEMTRLGLN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55996 Ang L5.CD2 and N10.O other bump:2.68218 Ang L5.CD2 and N10.ND2 other bump:2.82919 Ang L5.CD2 and N10.CG other bump:2.34983 Ang L5.CD2 and N10.CB neighbor-bump: 2.47958 Ang D7.C and Q8.CB neighbor-bump: 2.25091 Ang D7.O and Q8.CB Number of specific fragments= 1 total=1359 # 1klpA.15.15 read from T0187.t2k.frag # found chain 1klpA in template set T0187 15 :LELVDQLNE 1klpA 16 :IEEVTGIEP Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36379 Ang E10.CA and E10.CB other bump:2.63207 Ang E3.CB and L8.O other bump:2.71305 Ang D6.CG and L8.CD1 other bump:1.67613 Ang D6.OD2 and L8.CD1 other bump:2.51093 Ang D6.CG and L8.CG other bump:2.15087 Ang D6.OD2 and L8.CG other bump:1.96252 Ang L2.O and D6.OD1 Number of specific fragments= 1 total=1360 # 1exzA.15.15 read from T0187.t2k.frag # found chain 1exzA in template set T0187 15 :LELVDQLNE 1exzA 16 :TKLVANLPK 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 # 1gci.15.15 read from T0187.t2k.frag # found chain 1gci in training set T0187 15 :LELVDQLNE 1gci 16 :AHNRGLTGS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66595 Ang L8.CD1 and E10.OE2 other bump:2.59082 Ang L8.CB and E10.OE2 Number of specific fragments= 1 total=1362 # 1ctt.15.16 read from T0187.t2k.frag # found chain 1ctt in template set T0187 15 :LELVDQLNE 1ctt 17 :QSALEPILA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15755 Ang V5.CG1 and N9.ND2 Number of specific fragments= 1 total=1363 # 1b4cA.15.15 read from T0187.t2k.frag # found chain 1b4cA in template set T0187 15 :LELVDQLNE 1b4cA 15 :HQYSGREGD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69902 Ang L2.C and D6.OD2 other bump:2.62721 Ang L2.CG and D6.OD2 other bump:2.34271 Ang L2.CD2 and D6.OD2 other bump:1.96883 Ang L2.O and D6.OD2 other bump:2.79316 Ang L2.C and D6.OD1 other bump:2.63147 Ang E3.CA and D6.OD1 other bump:2.93567 Ang L2.C and D6.CG other bump:2.83459 Ang L2.CD2 and D6.CG other bump:2.07772 Ang L2.O and D6.CG Number of specific fragments= 1 total=1364 # 1uxc.15.16 read from T0187.t2k.frag # found chain 1uxc in template set T0187 15 :LELVDQLNE 1uxc 17 :ASYVINGKA 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 # 1gci.16.16 read from T0187.t2k.frag # found chain 1gci in training set T0187 16 :ELVDQLNEN 1gci 17 :HNRGLTGSG 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 # 1f9mA.16.17 read from T0187.t2k.frag # adding 1f9mA to template set 1f9mA:# found chain 1f9mA in template set T0187 16 :ELVDQLNEN 1f9mA 27 :PIVKAAGDK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.09013 Ang G1.O and D5.OD2 other bump:2.82973 Ang G1.C and D5.OD2 Number of specific fragments= 1 total=1367 # 1exzA.16.16 read from T0187.t2k.frag # found chain 1exzA in template set T0187 16 :ELVDQLNEN 1exzA 17 :KLVANLPKD 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 # 1ctt.16.17 read from T0187.t2k.frag # found chain 1ctt in template set T0187 16 :ELVDQLNEN 1ctt 18 :SALEPILAD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89906 Ang Q6.CA and E9.CD other bump:2.37146 Ang D5.O and E9.CG other bump:3.26847 Ang D5.C and E9.CG other bump:3.17755 Ang Q6.CA and E9.CG other bump:2.15754 Ang V4.CG1 and N8.ND2 Number of specific fragments= 1 total=1369 # 1klpA.16.16 read from T0187.t2k.frag # found chain 1klpA in template set T0187 16 :ELVDQLNEN 1klpA 17 :EEVTGIEPS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09061 Ang N8.CG and G11.N other bump:2.35255 Ang E2.CB and E9.OE2 other bump:2.63207 Ang E2.CB and L7.O other bump:2.71305 Ang D5.CG and L7.CD1 other bump:1.67613 Ang D5.OD2 and L7.CD1 other bump:2.51093 Ang D5.CG and L7.CG other bump:2.15087 Ang D5.OD2 and L7.CG other bump:1.96252 Ang G1.O and D5.OD1 Number of specific fragments= 1 total=1370 # 1cseE.16.16 read from T0187.t2k.frag # adding 1cseE to template set 1cseE:# found chain 1cseE in template set T0187 16 :ELVDQLNEN 1cseE 17 :QAQGFKGAN Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.25854 Ang E2.CA and L7.CD2 other bump:2.93934 Ang E2.CB and L7.CD2 other bump:2.9039 Ang E2.CG and L7.CD2 neighbor-bump: 2.13048 Ang V4.O and D5.CB neighbor-bump: 2.6364 Ang V4.C and D5.CB Number of specific fragments= 1 total=1371 # 1gci.17.17 read from T0187.t2k.frag # found chain 1gci in training set T0187 17 :LVDQLNEND 1gci 18 :NRGLTGSGV 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 # 1f9mA.17.18 read from T0187.t2k.frag # found chain 1f9mA in template set T0187 17 :LVDQLNEND 1f9mA 28 :IVKAAGDKP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.29197 Ang N9.OD1 and D10.O Number of specific fragments= 1 total=1373 # 1cseE.17.17 read from T0187.t2k.frag # found chain 1cseE in template set T0187 17 :LVDQLNEND 1cseE 18 :AQGFKGANV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.13048 Ang V3.O and D4.CB neighbor-bump: 2.6364 Ang V3.C and D4.CB Number of specific fragments= 1 total=1374 # 1exzA.17.17 read from T0187.t2k.frag # found chain 1exzA in template set T0187 17 :LVDQLNEND 1exzA 18 :LVANLPKDY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.09819 Ang N7.OD1 and D10.CB Number of specific fragments= 1 total=1375 # 1s01.17.17 read from T0187.t2k.frag # adding 1s01 to template set 1s01:Skipped atom 1415, because occupancy 0.5 <= existing 0.500001 Skipped atom 1732, because occupancy 0.5 <= existing 0.500001 # found chain 1s01 in template set T0187 17 :LVDQLNEND 1s01 18 :SQGYTGSNV 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 # 1uxc.17.18 read from T0187.t2k.frag # found chain 1uxc in template set T0187 17 :LVDQLNEND 1uxc 19 :YVINGKAKQ 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 # 1gci.18.18 read from T0187.t2k.frag # found chain 1gci in training set T0187 18 :VDQLNENDT 1gci 19 :RGLTGSGVK 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 # 1f9mA.18.19 read from T0187.t2k.frag # found chain 1f9mA in template set T0187 18 :VDQLNENDT 1f9mA 29 :VKAAGDKPV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68225 Ang L5.CG and T10.CG2 other bump:1.48344 Ang L5.CD1 and T10.CG2 other bump:2.85308 Ang L5.CD1 and T10.CB neighbor-bump: 2.29197 Ang N8.OD1 and D9.O Number of specific fragments= 1 total=1379 # 1cseE.18.18 read from T0187.t2k.frag # found chain 1cseE in template set T0187 18 :VDQLNENDT 1cseE 19 :QGFKGANVK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.6364 Ang V2.C and D3.CB neighbor-bump: 2.13048 Ang V2.O and D3.CB Number of specific fragments= 1 total=1380 # 1s01.18.18 read from T0187.t2k.frag # found chain 1s01 in template set T0187 18 :VDQLNENDT 1s01 19 :QGYTGSNVK 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 # 1sup.18.18 read from T0187.t2k.frag # adding 1sup to template set 1sup:Skipped atom 21, because occupancy 0.28 <= existing 0.720001 Skipped atom 174, because occupancy 0.3 <= existing 0.700001 Skipped atom 421, because occupancy 0.32 <= existing 0.680001 Skipped atom 423, because occupancy 0.32 <= existing 0.680001 Skipped atom 425, because occupancy 0.32 <= existing 0.680001 Skipped atom 427, because occupancy 0.32 <= existing 0.680001 Skipped atom 458, because occupancy 0.15 <= existing 0.700001 Skipped atom 459, because occupancy 0.15 <= existing 0.700001 Skipped atom 466, because occupancy 0.2 <= existing 0.800001 Skipped atom 468, because occupancy 0.2 <= existing 0.800001 Skipped atom 470, because occupancy 0.2 <= existing 0.800001 Skipped atom 472, because occupancy 0.2 <= existing 0.800001 Skipped atom 474, because occupancy 0.2 <= existing 0.800001 Skipped atom 518, because occupancy 0.15 <= existing 0.850001 Skipped atom 520, because occupancy 0.15 <= existing 0.850001 Skipped atom 568, because occupancy 0.2 <= existing 0.800001 Skipped atom 675, because occupancy 0.32 <= existing 0.680001 Skipped atom 677, because occupancy 0.32 <= existing 0.680001 Skipped atom 679, because occupancy 0.32 <= existing 0.680001 Skipped atom 688, because occupancy 0.33 <= existing 0.670001 Skipped atom 690, because occupancy 0.33 <= existing 0.670001 Skipped atom 692, because occupancy 0.33 <= existing 0.670001 Skipped atom 694, because occupancy 0.33 <= existing 0.670001 Skipped atom 696, because occupancy 0.33 <= existing 0.670001 Skipped atom 698, because occupancy 0.33 <= existing 0.670001 Skipped atom 700, because occupancy 0.33 <= existing 0.670001 Skipped atom 702, because occupancy 0.33 <= existing 0.670001 Skipped atom 704, because occupancy 0.33 <= existing 0.670001 Skipped atom 706, because occupancy 0.33 <= existing 0.670001 Skipped atom 708, because occupancy 0.33 <= existing 0.670001 Skipped atom 710, because occupancy 0.33 <= existing 0.670001 Skipped atom 712, because occupancy 0.33 <= existing 0.670001 Skipped atom 714, because occupancy 0.33 <= existing 0.670001 Skipped atom 716, because occupancy 0.33 <= existing 0.670001 Skipped atom 718, because occupancy 0.33 <= existing 0.670001 Skipped atom 720, because occupancy 0.33 <= existing 0.670001 Skipped atom 722, because occupancy 0.33 <= existing 0.670001 Skipped atom 724, because occupancy 0.33 <= existing 0.670001 Skipped atom 726, because occupancy 0.33 <= existing 0.670001 Skipped atom 728, because occupancy 0.33 <= existing 0.670001 Skipped atom 730, because occupancy 0.33 <= existing 0.670001 Skipped atom 732, because occupancy 0.33 <= existing 0.670001 Skipped atom 734, because occupancy 0.33 <= existing 0.670001 Skipped atom 736, because occupancy 0.33 <= existing 0.670001 Skipped atom 1217, because occupancy 0.32 <= existing 0.680001 Skipped atom 1219, because occupancy 0.32 <= existing 0.680001 Skipped atom 1271, because occupancy 0.15 <= existing 0.850001 Skipped atom 1273, because occupancy 0.15 <= existing 0.850001 Skipped atom 1589, because occupancy 0.3 <= existing 0.700001 Skipped atom 1591, because occupancy 0.3 <= existing 0.700001 Skipped atom 1593, because occupancy 0.3 <= existing 0.700001 Skipped atom 1786, because occupancy 0.45 <= existing 0.550001 Skipped atom 1793, because occupancy 0.37 <= existing 0.450001 Skipped atom 1794, because occupancy 0.18 <= existing 0.450001 Skipped atom 1840, because occupancy 0.25 <= existing 0.750001 Skipped atom 1842, because occupancy 0.25 <= existing 0.750001 Skipped atom 1853, because occupancy 0.28 <= existing 0.720001 Skipped atom 1855, because occupancy 0.28 <= existing 0.720001 Skipped atom 1857, because occupancy 0.28 <= existing 0.720001 Skipped atom 1859, because occupancy 0.28 <= existing 0.720001 Skipped atom 1861, because occupancy 0.28 <= existing 0.720001 Skipped atom 1863, because occupancy 0.28 <= existing 0.720001 Skipped atom 1865, because occupancy 0.28 <= existing 0.720001 Skipped atom 1867, because occupancy 0.28 <= existing 0.720001 Skipped atom 1869, because occupancy 0.28 <= existing 0.720001 Skipped atom 1871, because occupancy 0.28 <= existing 0.720001 Skipped atom 1873, because occupancy 0.28 <= existing 0.720001 Skipped atom 1875, because occupancy 0.28 <= existing 0.720001 Skipped atom 1877, because occupancy 0.28 <= existing 0.720001 Skipped atom 1879, because occupancy 0.28 <= existing 0.720001 Skipped atom 1881, because occupancy 0.28 <= existing 0.720001 Skipped atom 1883, because occupancy 0.28 <= existing 0.720001 Skipped atom 1885, because occupancy 0.28 <= existing 0.720001 Skipped atom 1887, because occupancy 0.28 <= existing 0.720001 Skipped atom 1889, because occupancy 0.28 <= existing 0.720001 Skipped atom 1891, because occupancy 0.28 <= existing 0.720001 Skipped atom 1980, because occupancy 0.38 <= existing 0.450001 Skipped atom 1981, because occupancy 0.17 <= existing 0.450001 Skipped atom 1983, because occupancy 0.38 <= existing 0.450001 Skipped atom 1984, because occupancy 0.17 <= existing 0.450001 # found chain 1sup in template set T0187 18 :VDQLNENDT 1sup 19 :QGYTGSNVK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1382 # 1gt91.18.18 read from T0187.t2k.frag # adding 1gt91 to template set 1gt91:Skipped atom 93, because occupancy 0.5 <= existing 0.500001 Skipped atom 94, because occupancy 0.5 <= existing 0.500001 Skipped atom 95, because occupancy 0.5 <= existing 0.500001 Skipped atom 96, because occupancy 0.5 <= existing 0.500001 Skipped atom 97, because occupancy 0.5 <= existing 0.500001 Skipped atom 98, because occupancy 0.5 <= existing 0.500001 Skipped atom 99, because occupancy 0.5 <= existing 0.500001 Skipped atom 100, because occupancy 0.5 <= existing 0.500001 Skipped atom 101, because occupancy 0.5 <= existing 0.500001 Skipped atom 679, because occupancy 0.5 <= existing 0.500001 Skipped atom 680, because occupancy 0.5 <= existing 0.500001 Skipped atom 681, because occupancy 0.5 <= existing 0.500001 Skipped atom 682, because occupancy 0.5 <= existing 0.500001 Skipped atom 683, because occupancy 0.5 <= existing 0.500001 Skipped atom 684, because occupancy 0.5 <= existing 0.500001 Skipped atom 685, because occupancy 0.5 <= existing 0.500001 Skipped atom 686, because occupancy 0.5 <= existing 0.500001 Skipped atom 1020, because occupancy 0.5 <= existing 0.500001 Skipped atom 1021, because occupancy 0.5 <= existing 0.500001 Skipped atom 1022, because occupancy 0.5 <= existing 0.500001 Skipped atom 1023, because occupancy 0.5 <= existing 0.500001 Skipped atom 1024, because occupancy 0.5 <= existing 0.500001 Skipped atom 1025, because occupancy 0.5 <= existing 0.500001 Skipped atom 1034, because occupancy 0.5 <= existing 0.500001 Skipped atom 1035, because occupancy 0.5 <= existing 0.500001 Skipped atom 1036, because occupancy 0.5 <= existing 0.500001 Skipped atom 1037, because occupancy 0.5 <= existing 0.500001 Skipped atom 1038, because occupancy 0.5 <= existing 0.500001 Skipped atom 1039, because occupancy 0.5 <= existing 0.500001 Skipped atom 1040, because occupancy 0.5 <= existing 0.500001 Skipped atom 1041, because occupancy 0.5 <= existing 0.500001 Skipped atom 1060, because occupancy 0.5 <= existing 0.500001 Skipped atom 1061, because occupancy 0.5 <= existing 0.500001 Skipped atom 1062, because occupancy 0.5 <= existing 0.500001 Skipped atom 1063, because occupancy 0.5 <= existing 0.500001 Skipped atom 1064, because occupancy 0.5 <= existing 0.500001 Skipped atom 1065, because occupancy 0.5 <= existing 0.500001 Skipped atom 1066, because occupancy 0.5 <= existing 0.500001 Skipped atom 1067, because occupancy 0.5 <= existing 0.500001 Skipped atom 1208, because occupancy 0.5 <= existing 0.500001 Skipped atom 1209, because occupancy 0.5 <= existing 0.500001 Skipped atom 1210, because occupancy 0.5 <= existing 0.500001 Skipped atom 1211, because occupancy 0.5 <= existing 0.500001 Skipped atom 1212, because occupancy 0.5 <= existing 0.500001 Skipped atom 1213, because occupancy 0.5 <= existing 0.500001 Skipped atom 1423, because occupancy 0.5 <= existing 0.500001 Skipped atom 1424, because occupancy 0.5 <= existing 0.500001 Skipped atom 1425, because occupancy 0.5 <= existing 0.500001 Skipped atom 1426, because occupancy 0.5 <= existing 0.500001 Skipped atom 1427, because occupancy 0.5 <= existing 0.500001 Skipped atom 1428, because occupancy 0.5 <= existing 0.500001 Skipped atom 1429, because occupancy 0.5 <= existing 0.500001 Skipped atom 1430, because occupancy 0.5 <= existing 0.500001 Skipped atom 1431, because occupancy 0.5 <= existing 0.500001 Skipped atom 1432, because occupancy 0.5 <= existing 0.500001 Skipped atom 1433, because occupancy 0.5 <= existing 0.500001 Skipped atom 1645, because occupancy 0.5 <= existing 0.500001 Skipped atom 1646, because occupancy 0.5 <= existing 0.500001 Skipped atom 1647, because occupancy 0.5 <= existing 0.500001 Skipped atom 1648, because occupancy 0.5 <= existing 0.500001 Skipped atom 1649, because occupancy 0.5 <= existing 0.500001 Skipped atom 1650, because occupancy 0.5 <= existing 0.500001 Skipped atom 1651, because occupancy 0.5 <= existing 0.500001 Skipped atom 1652, because occupancy 0.5 <= existing 0.500001 Skipped atom 1788, because occupancy 0.5 <= existing 0.500001 Skipped atom 1789, because occupancy 0.5 <= existing 0.500001 Skipped atom 1790, because occupancy 0.5 <= existing 0.500001 Skipped atom 1791, because occupancy 0.5 <= existing 0.500001 Skipped atom 1792, because occupancy 0.5 <= existing 0.500001 Skipped atom 1793, because occupancy 0.5 <= existing 0.500001 Skipped atom 1794, because occupancy 0.5 <= existing 0.500001 Skipped atom 1795, because occupancy 0.5 <= existing 0.500001 Skipped atom 1803, because occupancy 0.5 <= existing 0.500001 Skipped atom 1804, because occupancy 0.5 <= existing 0.500001 Skipped atom 1805, because occupancy 0.5 <= existing 0.500001 Skipped atom 1806, because occupancy 0.5 <= existing 0.500001 Skipped atom 1807, because occupancy 0.5 <= existing 0.500001 Skipped atom 1808, because occupancy 0.5 <= existing 0.500001 Skipped atom 1809, because occupancy 0.5 <= existing 0.500001 Skipped atom 1814, because occupancy 0.5 <= existing 0.500001 Skipped atom 1815, because occupancy 0.5 <= existing 0.500001 Skipped atom 1816, because occupancy 0.5 <= existing 0.500001 Skipped atom 1817, because occupancy 0.5 <= existing 0.500001 Skipped atom 1823, because occupancy 0.5 <= existing 0.500001 Skipped atom 1824, because occupancy 0.5 <= existing 0.500001 Skipped atom 1825, because occupancy 0.5 <= existing 0.500001 Skipped atom 1826, because occupancy 0.5 <= existing 0.500001 Skipped atom 1827, because occupancy 0.5 <= existing 0.500001 Skipped atom 1832, because occupancy 0.5 <= existing 0.500001 Skipped atom 1833, because occupancy 0.5 <= existing 0.500001 Skipped atom 1834, because occupancy 0.5 <= existing 0.500001 Skipped atom 1835, because occupancy 0.5 <= existing 0.500001 Skipped atom 2036, because occupancy 0.5 <= existing 0.500001 Skipped atom 2037, because occupancy 0.5 <= existing 0.500001 Skipped atom 2038, because occupancy 0.5 <= existing 0.500001 Skipped atom 2039, because occupancy 0.5 <= existing 0.500001 Skipped atom 2040, because occupancy 0.5 <= existing 0.500001 Skipped atom 2041, because occupancy 0.5 <= existing 0.500001 Skipped atom 2042, because occupancy 0.5 <= existing 0.500001 Skipped atom 2043, because occupancy 0.5 <= existing 0.500001 # found chain 1gt91 in template set T0187 18 :VDQLNENDT 1gt91 19 :EGLDGQGQC 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 # 1gci.19.19 read from T0187.t2k.frag # found chain 1gci in training set T0187 19 :DQLNENDTV 1gci 20 :GLTGSGVKV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1384 # 1cseE.19.19 read from T0187.t2k.frag # found chain 1cseE in template set T0187 19 :DQLNENDTV 1cseE 20 :GFKGANVKV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.13047 Ang G1.O and D2.CB neighbor-bump: 2.6364 Ang G1.C and D2.CB Number of specific fragments= 1 total=1385 # 1f9mA.19.20 read from T0187.t2k.frag # found chain 1f9mA in template set T0187 19 :DQLNENDTV 1f9mA 30 :KAAGDKPVV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83949 Ang L4.CD1 and T9.OG1 other bump:2.65267 Ang L4.CG and T9.CG2 other bump:1.82454 Ang L4.CD1 and T9.CG2 other bump:2.67217 Ang L4.CD2 and T9.CG2 other bump:2.77936 Ang L4.CD1 and T9.CB neighbor-bump: 2.29197 Ang N7.OD1 and D8.O Number of specific fragments= 1 total=1386 # 1gt91.19.19 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 19 :DQLNENDTV 1gt91 20 :GLDGQGQCI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1387 # 1s01.19.19 read from T0187.t2k.frag # found chain 1s01 in template set T0187 19 :DQLNENDTV 1s01 20 :GYTGSNVKV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1388 # 1sup.19.19 read from T0187.t2k.frag # found chain 1sup in template set T0187 19 :DQLNENDTV 1sup 20 :GYTGSNVKV 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 # 1gci.20.20 read from T0187.t2k.frag # found chain 1gci in training set T0187 20 :QLNENDTVL 1gci 21 :LTGSGVKVA 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 # 1gt91.20.20 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 20 :QLNENDTVL 1gt91 21 :LDGQGQCIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1391 # 1cseE.20.20 read from T0187.t2k.frag # found chain 1cseE in template set T0187 20 :QLNENDTVL 1cseE 21 :FKGANVKVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1392 # 1s01.20.20 read from T0187.t2k.frag # found chain 1s01 in template set T0187 20 :QLNENDTVL 1s01 21 :YTGSNVKVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1393 # 1sup.20.20 read from T0187.t2k.frag # found chain 1sup in template set T0187 20 :QLNENDTVL 1sup 21 :YTGSNVKVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1394 # 1f9mA.20.21 read from T0187.t2k.frag # found chain 1f9mA in template set T0187 20 :QLNENDTVL 1f9mA 31 :AAGDKPVVL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83949 Ang L3.CD1 and T8.OG1 other bump:2.65267 Ang L3.CG and T8.CG2 other bump:2.67217 Ang L3.CD2 and T8.CG2 other bump:1.82455 Ang L3.CD1 and T8.CG2 other bump:2.77936 Ang L3.CD1 and T8.CB neighbor-bump: 2.29197 Ang N6.OD1 and D7.O Number of specific fragments= 1 total=1395 # 1gt91.21.21 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 21 :LNENDTVLF 1gt91 22 :DGQGQCIAI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69814 Ang V8.CG2 and F10.CE1 Number of specific fragments= 1 total=1396 # 1gci.21.21 read from T0187.t2k.frag # found chain 1gci in training set T0187 21 :LNENDTVLF 1gci 22 :TGSGVKVAV 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 # 1s01.21.21 read from T0187.t2k.frag # found chain 1s01 in template set T0187 21 :LNENDTVLF 1s01 22 :TGSNVKVAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1398 # 1sup.21.21 read from T0187.t2k.frag # found chain 1sup in template set T0187 21 :LNENDTVLF 1sup 22 :TGSNVKVAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1399 # 1cseE.21.21 read from T0187.t2k.frag # found chain 1cseE in template set T0187 21 :LNENDTVLF 1cseE 22 :KGANVKVAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1400 # 1k7hA.21.25 read from T0187.t2k.frag # adding 1k7hA to template set 1k7hA:# found chain 1k7hA in template set T0187 21 :LNENDTVLF 1k7hA 26 :KQAKNVIFF Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.05993 Ang E4.CD and T7.CG2 other bump:1.10385 Ang E4.OE1 and T7.CG2 other bump:2.20741 Ang E4.OE1 and T7.CB other bump:2.76909 Ang E4.OE1 and T7.CA other bump:2.59235 Ang E4.CG and D6.O neighbor-bump: 1.93677 Ang N5.OD1 and D6.N self-bump: 1.36669 Ang N5.CA and N5.CB Number of specific fragments= 1 total=1401 # 1gt91.22.22 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 22 :NENDTVLFL 1gt91 23 :GQGQCIAII Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61164 Ang V7.CG2 and F9.CZ other bump:2.69677 Ang V7.CG2 and F9.CE1 Number of specific fragments= 1 total=1402 # 1gci.22.22 read from T0187.t2k.frag # found chain 1gci in training set T0187 22 :NENDTVLFL 1gci 23 :GSGVKVAVL 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 # 1s01.22.22 read from T0187.t2k.frag # found chain 1s01 in template set T0187 22 :NENDTVLFL 1s01 23 :GSNVKVAVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1404 # 1sup.22.22 read from T0187.t2k.frag # found chain 1sup in template set T0187 22 :NENDTVLFL 1sup 23 :GSNVKVAVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1405 # 1cseE.22.22 read from T0187.t2k.frag # found chain 1cseE in template set T0187 22 :NENDTVLFL 1cseE 23 :GANVKVAVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1406 # 1k7hA.22.26 read from T0187.t2k.frag # found chain 1k7hA in template set T0187 22 :NENDTVLFL 1k7hA 27 :QAKNVIFFL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58997 Ang E3.CD and T6.CG2 other bump:2.2572 Ang E3.OE1 and T6.CG2 other bump:2.48052 Ang E3.CG and D5.O other bump:2.46608 Ang E3.CD and D5.O other bump:2.27017 Ang E3.OE2 and D5.O neighbor-bump: 1.93677 Ang N4.OD1 and D5.N self-bump: 1.36669 Ang N4.CA and N4.CB Number of specific fragments= 1 total=1407 # 1gt91.23.23 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 23 :ENDTVLFLL 1gt91 24 :QGQCIAIIE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61164 Ang V6.CG2 and F8.CZ other bump:2.69677 Ang V6.CG2 and F8.CE1 Number of specific fragments= 1 total=1408 # 1gci.23.23 read from T0187.t2k.frag # found chain 1gci in training set T0187 23 :ENDTVLFLL 1gci 24 :SGVKVAVLD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.1106 Ang F8.CB and L10.CD2 Number of specific fragments= 1 total=1409 # 1s01.23.23 read from T0187.t2k.frag # found chain 1s01 in template set T0187 23 :ENDTVLFLL 1s01 24 :SNVKVAVID Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.19473 Ang L10.CB and L10.C self-bump: 1.26022 Ang L10.CA and L10.CB Number of specific fragments= 1 total=1410 # 1c4xA.23.26 read from T0187.t2k.frag # adding 1c4xA to template set 1c4xA:# found chain 1c4xA in template set T0187 23 :ENDTVLFLL 1c4xA 26 :PQSPAVVLL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.08443 Ang F8.CD1 and L10.CD2 other bump:2.3735 Ang F8.CZ and L10.CD2 other bump:1.28483 Ang F8.CE1 and L10.CD2 other bump:2.2341 Ang L7.CD2 and L9.CD1 Number of specific fragments= 1 total=1411 # 1sup.23.23 read from T0187.t2k.frag # found chain 1sup in template set T0187 23 :ENDTVLFLL 1sup 24 :SNVKVAVID Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48154 Ang L10.CB and G11.N self-bump: 1.2274 Ang L10.CA and L10.CB Number of specific fragments= 1 total=1412 # 1k7hA.23.26 read from T0187.t2k.frag # found chain 1k7hA in template set T0187 23 :ENDTVLFLL 1k7hA 27 :QAKNVIFFL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38055 Ang N3.ND2 and V6.CG2 other bump:3.29722 Ang N3.CG and T5.C other bump:2.73515 Ang N3.OD1 and T5.C other bump:2.48602 Ang N3.CG and T5.O other bump:1.94284 Ang N3.OD1 and T5.O Number of specific fragments= 1 total=1413 # 1gt91.24.24 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 24 :NDTVLFLLS 1gt91 25 :GQCIAIIEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61164 Ang V5.CG2 and F7.CZ other bump:2.69677 Ang V5.CG2 and F7.CE1 Number of specific fragments= 1 total=1414 # 1c4xA.24.27 read from T0187.t2k.frag # found chain 1c4xA in template set T0187 24 :NDTVLFLLS 1c4xA 27 :QSPAVVLLH Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.08443 Ang F7.CD1 and L9.CD2 other bump:1.28483 Ang F7.CE1 and L9.CD2 other bump:2.3735 Ang F7.CZ and L9.CD2 other bump:2.2341 Ang L6.CD2 and L8.CD1 Number of specific fragments= 1 total=1415 # 1gci.24.24 read from T0187.t2k.frag # found chain 1gci in training set T0187 24 :NDTVLFLLS 1gci 25 :GVKVAVLDT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00762 Ang F7.CB and L9.CD1 Number of specific fragments= 1 total=1416 # 1k7hA.24.27 read from T0187.t2k.frag # found chain 1k7hA in template set T0187 24 :NDTVLFLLS 1k7hA 28 :AKNVIFFLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1417 # 1s01.24.24 read from T0187.t2k.frag # found chain 1s01 in template set T0187 24 :NDTVLFLLS 1s01 25 :NVKVAVIDS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98218 Ang F7.CB and L9.CD1 Number of specific fragments= 1 total=1418 # 1sup.24.24 read from T0187.t2k.frag # found chain 1sup in template set T0187 24 :NDTVLFLLS 1sup 25 :NVKVAVIDS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00358 Ang F7.CB and L9.CD1 Number of specific fragments= 1 total=1419 # 1gt91.25.25 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 25 :DTVLFLLSG 1gt91 26 :QCIAIIELG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61164 Ang V4.CG2 and F6.CZ other bump:2.69677 Ang V4.CG2 and F6.CE1 Number of specific fragments= 1 total=1420 # 1c4xA.25.28 read from T0187.t2k.frag # found chain 1c4xA in template set T0187 25 :DTVLFLLSG 1c4xA 28 :SPAVVLLHG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.08443 Ang F6.CD1 and L8.CD2 other bump:1.28483 Ang F6.CE1 and L8.CD2 other bump:2.3735 Ang F6.CZ and L8.CD2 other bump:2.2341 Ang L5.CD2 and L7.CD1 Number of specific fragments= 1 total=1421 # 1qhhA.25.25 read from T0187.t2k.frag # adding 1qhhA to template set 1qhhA:# found chain 1qhhA in template set T0187 25 :DTVLFLLSG 1qhhA 26 :PLLIMAGAG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77759 Ang V4.CG1 and F6.CZ other bump:2.68486 Ang V4.CG1 and F6.CE1 Number of specific fragments= 1 total=1422 # 1pjr.25.25 read from T0187.t2k.frag # adding 1pjr to template set 1pjr:# found chain 1pjr in template set T0187 25 :DTVLFLLSG 1pjr 26 :PLLIMAGAG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.33021 Ang S9.CA and S9.CB other bump:2.96832 Ang V4.CG1 and F6.CZ other bump:2.8509 Ang V4.CG1 and F6.CE1 Number of specific fragments= 1 total=1423 # 1gci.25.25 read from T0187.t2k.frag # found chain 1gci in training set T0187 25 :DTVLFLLSG 1gci 26 :VKVAVLDTG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00762 Ang F6.CB and L8.CD1 Number of specific fragments= 1 total=1424 # 1gt91.25.26 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 25 :DTVLFLLSG 1gt91 27 :CIAIIELGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1425 # 1gt91.26.26 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 26 :TVLFLLSGG 1gt91 27 :CIAIIELGG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61164 Ang V3.CG2 and F5.CZ other bump:2.69677 Ang V3.CG2 and F5.CE1 Number of specific fragments= 1 total=1426 # 1s01.26.26 read from T0187.t2k.frag # found chain 1s01 in template set T0187 26 :TVLFLLSGG 1s01 27 :KVAVIDSGI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98218 Ang F5.CB and L7.CD1 Number of specific fragments= 1 total=1427 # 1gci.26.26 read from T0187.t2k.frag # found chain 1gci in training set T0187 26 :TVLFLLSGG 1gci 27 :KVAVLDTGI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00762 Ang F5.CB and L7.CD1 Number of specific fragments= 1 total=1428 # 1qhhA.26.26 read from T0187.t2k.frag # found chain 1qhhA in template set T0187 26 :TVLFLLSGG 1qhhA 27 :LLIMAGAGS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77759 Ang V3.CG1 and F5.CZ other bump:2.68485 Ang V3.CG1 and F5.CE1 Number of specific fragments= 1 total=1429 # 1pjr.26.26 read from T0187.t2k.frag # found chain 1pjr in template set T0187 26 :TVLFLLSGG 1pjr 27 :LLIMAGAGS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.33021 Ang S8.CA and S8.CB other bump:2.96832 Ang V3.CG1 and F5.CZ other bump:2.8509 Ang V3.CG1 and F5.CE1 Number of specific fragments= 1 total=1430 # 1gt91.26.27 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 26 :TVLFLLSGG 1gt91 28 :IAIIELGGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1431 # 1gt91.27.27 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 27 :VLFLLSGGG 1gt91 28 :IAIIELGGG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61164 Ang V2.CG2 and F4.CZ other bump:2.69677 Ang V2.CG2 and F4.CE1 Number of specific fragments= 1 total=1432 # 1k7hA.27.30 read from T0187.t2k.frag # found chain 1k7hA in template set T0187 27 :VLFLLSGGG 1k7hA 31 :VIFFLGDGM 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 # 1s01.27.27 read from T0187.t2k.frag # found chain 1s01 in template set T0187 27 :VLFLLSGGG 1s01 28 :VAVIDSGID Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98218 Ang F4.CB and L6.CD1 Number of specific fragments= 1 total=1434 # 1gci.27.27 read from T0187.t2k.frag # found chain 1gci in training set T0187 27 :VLFLLSGGG 1gci 28 :VAVLDTGIS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00762 Ang F4.CB and L6.CD1 Number of specific fragments= 1 total=1435 # 1gt91.27.28 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 27 :VLFLLSGGG 1gt91 29 :AIIELGGGY 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 # 1sup.27.27 read from T0187.t2k.frag # found chain 1sup in template set T0187 27 :VLFLLSGGG 1sup 28 :VAVIDSGID Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00358 Ang F4.CB and L6.CD1 Number of specific fragments= 1 total=1437 # 1gt91.28.28 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 28 :LFLLSGGGS 1gt91 29 :AIIELGGGY 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 # 1smeA.28.28 read from T0187.t2k.frag # adding 1smeA to template set 1smeA:# found chain 1smeA in template set T0187 28 :LFLLSGGGS 1smeA 29 :FTFILDTGS 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 # 1k7hA.28.30 read from T0187.t2k.frag # found chain 1k7hA in template set T0187 28 :LFLLSGGGS 1k7hA 31 :VIFFLGDGM 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 # 1k7hA.28.31 read from T0187.t2k.frag # found chain 1k7hA in template set T0187 28 :LFLLSGGGS 1k7hA 32 :IFFLGDGMS 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 # 1s01.28.28 read from T0187.t2k.frag # found chain 1s01 in template set T0187 28 :LFLLSGGGS 1s01 29 :AVIDSGIDS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98218 Ang F3.CB and L5.CD1 Number of specific fragments= 1 total=1442 # 1c4xA.28.31 read from T0187.t2k.frag # found chain 1c4xA in template set T0187 28 :LFLLSGGGS 1c4xA 31 :VVLLHGAGP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.08444 Ang F3.CD1 and L5.CD2 other bump:1.28483 Ang F3.CE1 and L5.CD2 other bump:2.3735 Ang F3.CZ and L5.CD2 Number of specific fragments= 1 total=1443 # 1gt91.29.29 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 29 :FLLSGGGSS 1gt91 30 :IIELGGGYD 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 # 1smeA.29.29 read from T0187.t2k.frag # found chain 1smeA in template set T0187 29 :FLLSGGGSS 1smeA 30 :TFILDTGSA 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 # 1qs8A.29.31 read from T0187.t2k.frag # adding 1qs8A to template set 1qs8A:# found chain 1qs8A in template set T0187 29 :FLLSGGGSS 1qs8A 30 :MLIFDTGSA 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 # 1dpjA.29.29 read from T0187.t2k.frag # adding 1dpjA to template set 1dpjA:Skipped atom 2378, because occupancy 0.5 <= existing 0.500001 Skipped atom 2380, because occupancy 0.5 <= existing 0.500001 Skipped atom 2382, because occupancy 0.5 <= existing 0.500001 Skipped atom 2384, because occupancy 0.5 <= existing 0.500001 Skipped atom 2386, because occupancy 0.5 <= existing 0.500001 # found chain 1dpjA in template set T0187 29 :FLLSGGGSS 1dpjA 29 :VILDTGSSN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1447 # 1s01.29.29 read from T0187.t2k.frag # found chain 1s01 in template set T0187 29 :FLLSGGGSS 1s01 30 :VIDSGIDSS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9867 Ang F2.CB and L4.CD1 Number of specific fragments= 1 total=1448 # 1gsoA.29.30 read from T0187.t2k.frag # adding 1gsoA to template set 1gsoA:Skipped atom 73, because occupancy 0.5 <= existing 0.500001 Skipped atom 75, because occupancy 0.5 <= existing 0.500001 Skipped atom 77, because occupancy 0.5 <= existing 0.500001 Skipped atom 79, because occupancy 0.5 <= existing 0.500001 Skipped atom 81, because occupancy 0.5 <= existing 0.500001 Skipped atom 83, because occupancy 0.5 <= existing 0.500001 Skipped atom 85, because occupancy 0.5 <= existing 0.500001 Skipped atom 87, because occupancy 0.5 <= existing 0.500001 Skipped atom 97, because occupancy 0.5 <= existing 0.500001 Skipped atom 99, because occupancy 0.5 <= existing 0.500001 Skipped atom 101, because occupancy 0.5 <= existing 0.500001 Skipped atom 103, because occupancy 0.5 <= existing 0.500001 Skipped atom 105, because occupancy 0.5 <= existing 0.500001 Skipped atom 107, because occupancy 0.5 <= existing 0.500001 Skipped atom 109, because occupancy 0.5 <= existing 0.500001 Skipped atom 111, because occupancy 0.5 <= existing 0.500001 Skipped atom 113, because occupancy 0.5 <= existing 0.500001 Skipped atom 115, because occupancy 0.5 <= existing 0.500001 Skipped atom 117, because occupancy 0.5 <= existing 0.500001 Skipped atom 781, because occupancy 0.5 <= existing 0.500001 Skipped atom 783, because occupancy 0.5 <= existing 0.500001 Skipped atom 785, because occupancy 0.5 <= existing 0.500001 Skipped atom 787, because occupancy 0.5 <= existing 0.500001 Skipped atom 789, because occupancy 0.5 <= existing 0.500001 Skipped atom 791, because occupancy 0.5 <= existing 0.500001 Skipped atom 866, because occupancy 0.5 <= existing 0.500001 Skipped atom 868, because occupancy 0.5 <= existing 0.500001 Skipped atom 870, because occupancy 0.5 <= existing 0.500001 Skipped atom 872, because occupancy 0.5 <= existing 0.500001 Skipped atom 874, because occupancy 0.5 <= existing 0.500001 Skipped atom 876, because occupancy 0.5 <= existing 0.500001 Skipped atom 878, because occupancy 0.5 <= existing 0.500001 Skipped atom 880, because occupancy 0.5 <= existing 0.500001 Skipped atom 882, because occupancy 0.5 <= existing 0.500001 Skipped atom 884, because occupancy 0.5 <= existing 0.500001 Skipped atom 886, because occupancy 0.5 <= existing 0.500001 Skipped atom 983, because occupancy 0.5 <= existing 0.500001 Skipped atom 985, 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 2172, because occupancy 0.5 <= existing 0.500001 Skipped atom 2174, because occupancy 0.5 <= existing 0.500001 Skipped atom 2176, because occupancy 0.5 <= existing 0.500001 Skipped atom 2178, because occupancy 0.5 <= existing 0.500001 Skipped atom 2180, because occupancy 0.5 <= existing 0.500001 Skipped atom 2182, because occupancy 0.5 <= existing 0.500001 Skipped atom 2513, because occupancy 0.5 <= existing 0.500001 Skipped atom 2515, because occupancy 0.5 <= existing 0.500001 Skipped atom 2517, because occupancy 0.5 <= existing 0.500001 Skipped atom 2519, because occupancy 0.5 <= existing 0.500001 Skipped atom 2521, because occupancy 0.5 <= existing 0.500001 Skipped atom 2523, because occupancy 0.5 <= existing 0.500001 Skipped atom 2900, because occupancy 0.5 <= existing 0.500001 Skipped atom 2902, because occupancy 0.5 <= existing 0.500001 Skipped atom 2904, because occupancy 0.5 <= existing 0.500001 Skipped atom 2906, because occupancy 0.5 <= existing 0.500001 Skipped atom 2908, because occupancy 0.5 <= existing 0.500001 Skipped atom 2910, because occupancy 0.5 <= existing 0.500001 Skipped atom 2912, because occupancy 0.5 <= existing 0.500001 # found chain 1gsoA in template set T0187 29 :FLLSGGGSS 1gsoA 29 :FVAPGNAGT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.44356 Ang L3.CD1 and G6.CA neighbor-bump: 2.94118 Ang L4.CD2 and S5.C neighbor-bump: 3.09592 Ang L4.CB and S5.CA neighbor-bump: 2.32534 Ang L4.CD2 and S5.CA self-bump: 1.31729 Ang L4.CA and L4.CB Number of specific fragments= 1 total=1449 # 1smeA.30.30 read from T0187.t2k.frag # found chain 1smeA in template set T0187 30 :LLSGGGSSL 1smeA 31 :FILDTGSAN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.82213 Ang S9.O and L10.CD1 neighbor-bump: 2.75699 Ang S9.C and L10.CD1 Number of specific fragments= 1 total=1450 # 1gt91.30.30 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 30 :LLSGGGSSL 1gt91 31 :IELGGGYDE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1451 # 1qs8A.30.32 read from T0187.t2k.frag # found chain 1qs8A in template set T0187 30 :LLSGGGSSL 1qs8A 31 :LIFDTGSAN 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 # 1dpjA.30.30 read from T0187.t2k.frag # found chain 1dpjA in template set T0187 30 :LLSGGGSSL 1dpjA 30 :ILDTGSSNL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1453 # 1asu.30.32 read from T0187.t2k.frag # adding 1asu to template set 1asu:# found chain 1asu in template set T0187 30 :LLSGGGSSL 1asu 80 :TVDTASSAI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46347 Ang L3.CD2 and L10.CD2 Number of specific fragments= 1 total=1454 # 1dw0A.30.31 read from T0187.t2k.frag # adding 1dw0A to template set 1dw0A:Skipped atom 550, because occupancy 0.5 <= existing 0.500001 Skipped atom 552, because occupancy 0.5 <= existing 0.500001 Skipped atom 554, because occupancy 0.5 <= existing 0.500001 Skipped atom 556, because occupancy 0.5 <= existing 0.500001 # found chain 1dw0A in template set T0187 30 :LLSGGGSSL 1dw0A 32 :TQTGGKPDT 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 # 1smeA.31.31 read from T0187.t2k.frag # found chain 1smeA in template set T0187 31 :LSGGGSSLF 1smeA 32 :ILDTGSANL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.82212 Ang S8.O and L9.CD1 neighbor-bump: 2.75699 Ang S8.C and L9.CD1 Number of specific fragments= 1 total=1456 # 1qs8A.31.33 read from T0187.t2k.frag # found chain 1qs8A in template set T0187 31 :LSGGGSSLF 1qs8A 32 :IFDTGSANL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1457 # 1gt91.31.31 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 31 :LSGGGSSLF 1gt91 32 :ELGGGYDET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1458 # 1dm1A.31.33 read from T0187.t2k.frag # adding 1dm1A to template set 1dm1A:# found chain 1dm1A in template set T0187 31 :LSGGGSSLF 1dm1A 34 :EKFPDSANF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.15568 Ang L2.O and S3.CA neighbor-bump: 2.0074 Ang L2.C and S3.CA Number of specific fragments= 1 total=1459 # 1dpjA.31.31 read from T0187.t2k.frag # found chain 1dpjA in template set T0187 31 :LSGGGSSLF 1dpjA 31 :LDTGSSNLW 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 # 1asu.31.33 read from T0187.t2k.frag # found chain 1asu in template set T0187 31 :LSGGGSSLF 1asu 81 :VDTASSAIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50178 Ang L2.CD2 and L9.CD2 Number of specific fragments= 1 total=1461 # 1smeA.32.32 read from T0187.t2k.frag # found chain 1smeA in template set T0187 32 :SGGGSSLFE 1smeA 33 :LDTGSANLW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.82212 Ang S7.O and L8.CD1 neighbor-bump: 2.75699 Ang S7.C and L8.CD1 Number of specific fragments= 1 total=1462 # 1qs8A.32.34 read from T0187.t2k.frag # found chain 1qs8A in template set T0187 32 :SGGGSSLFE 1qs8A 33 :FDTGSANLW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1463 # 1dm1A.32.34 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 32 :SGGGSSLFE 1dm1A 35 :KFPDSANFF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.15568 Ang G1.O and S2.CA neighbor-bump: 2.0074 Ang G1.C and S2.CA Number of specific fragments= 1 total=1464 # 1asu.32.34 read from T0187.t2k.frag # found chain 1asu in template set T0187 32 :SGGGSSLFE 1asu 82 :DTASSAIVV 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 # 2fal.32.35 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 32 :SGGGSSLFE 2fal 35 :KFPDSANFF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1466 # 1dpjA.32.32 read from T0187.t2k.frag # found chain 1dpjA in template set T0187 32 :SGGGSSLFE 1dpjA 32 :DTGSSNLWV 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 # 1smeA.33.33 read from T0187.t2k.frag # found chain 1smeA in template set T0187 33 :GGGSSLFEL 1smeA 34 :DTGSANLWV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90947 Ang F8.CZ and L10.CD2 neighbor-bump: 1.82212 Ang S6.O and L7.CD1 neighbor-bump: 2.75699 Ang S6.C and L7.CD1 Number of specific fragments= 1 total=1468 # 1qs8A.33.35 read from T0187.t2k.frag # found chain 1qs8A in template set T0187 33 :GGGSSLFEL 1qs8A 34 :DTGSANLWV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46215 Ang F8.CE2 and L10.CD1 other bump:2.37155 Ang F8.CZ and L10.CD1 Number of specific fragments= 1 total=1469 # 1dm1A.33.35 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 33 :GGGSSLFEL 1dm1A 36 :FPDSANFFA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1470 # 2fal.33.36 read from T0187.t2k.frag # found chain 2fal in template set T0187 33 :GGGSSLFEL 2fal 36 :FPDSANFFA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1471 # 1asu.33.35 read from T0187.t2k.frag # found chain 1asu in template set T0187 33 :GGGSSLFEL 1asu 83 :TASSAIVVT 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 # 1bd8.33.34 read from T0187.t2k.frag # found chain 1bd8 in training set T0187 33 :GGGSSLFEL 1bd8 41 :FGKTALQVM Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80319 Ang S5.CB and F8.CE2 other bump:1.90022 Ang S5.OG and F8.CE2 other bump:3.23045 Ang S5.CA and F8.CD2 other bump:2.89479 Ang S5.CB and F8.CD2 other bump:1.89156 Ang S5.OG and F8.CD2 Number of specific fragments= 1 total=1473 # 1smeA.34.34 read from T0187.t2k.frag # found chain 1smeA in template set T0187 34 :GGSSLFELP 1smeA 35 :TGSANLWVP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54763 Ang F7.CZ and L9.CD2 other bump:2.9071 Ang F7.CZ and L9.CD1 other bump:2.73365 Ang F7.CE2 and L9.CD1 neighbor-bump: 1.82212 Ang S5.O and L6.CD1 neighbor-bump: 2.75699 Ang S5.C and L6.CD1 Number of specific fragments= 1 total=1474 # 1dm1A.34.36 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 34 :GGSSLFELP 1dm1A 37 :PDSANFFAD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35479 Ang P10.N and P10.CD neighbor-bump: 2.49532 Ang L9.N and P10.CD self-bump: 2.19475 Ang P10.N and P10.CG Number of specific fragments= 1 total=1475 # 1qs8A.34.36 read from T0187.t2k.frag # found chain 1qs8A in template set T0187 34 :GGSSLFELP 1qs8A 35 :TGSANLWVP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1476 # 2fal.34.37 read from T0187.t2k.frag # found chain 2fal in template set T0187 34 :GGSSLFELP 2fal 37 :PDSANFFAD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.60318 Ang L9.N and P10.CD Number of specific fragments= 1 total=1477 # 1asu.34.36 read from T0187.t2k.frag # found chain 1asu in template set T0187 34 :GGSSLFELP 1asu 84 :ASSAIVVTQ 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 # 1bd8.34.35 read from T0187.t2k.frag # found chain 1bd8 in training set T0187 34 :GGSSLFELP 1bd8 42 :GKTALQVMM Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80319 Ang S4.CB and F7.CE2 other bump:1.90022 Ang S4.OG and F7.CE2 other bump:3.23045 Ang S4.CA and F7.CD2 other bump:2.89479 Ang S4.CB and F7.CD2 other bump:1.89156 Ang S4.OG and F7.CD2 Number of specific fragments= 1 total=1479 # 1dm1A.35.37 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 35 :GSSLFELPL 1dm1A 38 :DSANFFADF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.92009 Ang E7.OE1 and L10.CD2 other bump:2.69472 Ang E7.CD and L10.CD2 self-bump: 1.35479 Ang P9.N and P9.CD neighbor-bump: 2.49531 Ang L8.N and P9.CD self-bump: 2.19475 Ang P9.N and P9.CG Number of specific fragments= 1 total=1480 # 1smeA.35.35 read from T0187.t2k.frag # found chain 1smeA in template set T0187 35 :GSSLFELPL 1smeA 36 :GSANLWVPS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54763 Ang F6.CZ and L8.CD2 other bump:2.9071 Ang F6.CZ and L8.CD1 other bump:2.73365 Ang F6.CE2 and L8.CD1 neighbor-bump: 1.82212 Ang S4.O and L5.CD1 neighbor-bump: 2.75699 Ang S4.C and L5.CD1 Number of specific fragments= 1 total=1481 # 2fal.35.38 read from T0187.t2k.frag # found chain 2fal in template set T0187 35 :GSSLFELPL 2fal 38 :DSANFFADF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.96877 Ang E7.CD and L10.CD2 other bump:2.00572 Ang E7.OE1 and L10.CD2 neighbor-bump: 2.60318 Ang L8.N and P9.CD Number of specific fragments= 1 total=1482 # 1qs8A.35.37 read from T0187.t2k.frag # found chain 1qs8A in template set T0187 35 :GSSLFELPL 1qs8A 36 :GSANLWVPS 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 # 1mba.35.38 read from T0187.t2k.frag # found chain 1mba in training set T0187 35 :GSSLFELPL 1mba 38 :DSANFFADF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51215 Ang E7.CD and L10.CD1 other bump:1.42961 Ang E7.OE1 and L10.CD1 other bump:2.65179 Ang E7.OE1 and L10.CG neighbor-bump: 2.65019 Ang L8.N and P9.CD Number of specific fragments= 1 total=1484 # 1bd8.35.36 read from T0187.t2k.frag # found chain 1bd8 in training set T0187 35 :GSSLFELPL 1bd8 43 :KTALQVMMF Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38907 Ang P9.CA and P9.CB other bump:2.80319 Ang S3.CB and F6.CE2 other bump:1.90022 Ang S3.OG and F6.CE2 other bump:3.23045 Ang S3.CA and F6.CD2 other bump:2.89479 Ang S3.CB and F6.CD2 other bump:1.89156 Ang S3.OG and F6.CD2 Number of specific fragments= 1 total=1485 # 1dm1A.36.38 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 36 :SSLFELPLE 1dm1A 39 :SANFFADFK Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35273 Ang L4.O and E10.OE2 other bump:2.08521 Ang L4.CD2 and E10.OE1 other bump:2.85597 Ang L4.CD2 and E10.CD other bump:2.69472 Ang E6.CD and L9.CD2 other bump:1.92009 Ang E6.OE1 and L9.CD2 self-bump: 1.35479 Ang P8.N and P8.CD neighbor-bump: 2.49531 Ang L7.N and P8.CD self-bump: 2.19475 Ang P8.N and P8.CG Number of specific fragments= 1 total=1486 # 2fal.36.39 read from T0187.t2k.frag # found chain 2fal in template set T0187 36 :SSLFELPLE 2fal 39 :SANFFADFK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.18151 Ang L4.CD2 and E10.OE1 other bump:2.96877 Ang E6.CD and L9.CD2 other bump:2.00572 Ang E6.OE1 and L9.CD2 neighbor-bump: 2.60318 Ang L7.N and P8.CD Number of specific fragments= 1 total=1487 # 1smeA.36.36 read from T0187.t2k.frag # found chain 1smeA in template set T0187 36 :SSLFELPLE 1smeA 37 :SANLWVPSV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54763 Ang F5.CZ and L7.CD2 other bump:2.9071 Ang F5.CZ and L7.CD1 other bump:2.73365 Ang F5.CE2 and L7.CD1 neighbor-bump: 1.82212 Ang S3.O and L4.CD1 neighbor-bump: 2.75699 Ang S3.C and L4.CD1 Number of specific fragments= 1 total=1488 # 1mba.36.39 read from T0187.t2k.frag # found chain 1mba in training set T0187 36 :SSLFELPLE 1mba 39 :SANFFADFK Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36443 Ang L4.CA and E10.OE2 other bump:2.36512 Ang L4.O and E10.OE2 other bump:2.71888 Ang L4.C and E10.OE2 other bump:1.91208 Ang L4.CD2 and E10.OE1 other bump:3.22371 Ang L4.CA and E10.CD other bump:2.64674 Ang L4.CD2 and E10.CD other bump:2.51215 Ang E6.CD and L9.CD1 other bump:1.42961 Ang E6.OE1 and L9.CD1 other bump:2.65179 Ang E6.OE1 and L9.CG neighbor-bump: 2.65019 Ang L7.N and P8.CD Number of specific fragments= 1 total=1489 # 1qs8A.36.38 read from T0187.t2k.frag # found chain 1qs8A in template set T0187 36 :SSLFELPLE 1qs8A 37 :SANLWVPSK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.95271 Ang L9.CG and G11.N Number of specific fragments= 1 total=1490 # 1bd8.36.37 read from T0187.t2k.frag # found chain 1bd8 in training set T0187 36 :SSLFELPLE 1bd8 44 :TALQVMMFG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38907 Ang P8.CA and P8.CB other bump:2.80319 Ang S2.CB and F5.CE2 other bump:1.90022 Ang S2.OG and F5.CE2 other bump:3.23045 Ang S2.CA and F5.CD2 other bump:2.89479 Ang S2.CB and F5.CD2 other bump:1.89156 Ang S2.OG and F5.CD2 Number of specific fragments= 1 total=1491 # 1dm1A.37.39 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 37 :SLFELPLEG 1dm1A 40 :ANFFADFKG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35273 Ang L3.O and E9.OE2 other bump:2.08521 Ang L3.CD2 and E9.OE1 other bump:2.85597 Ang L3.CD2 and E9.CD other bump:2.69472 Ang E5.CD and L8.CD2 other bump:1.92009 Ang E5.OE1 and L8.CD2 self-bump: 1.35479 Ang P7.N and P7.CD neighbor-bump: 2.49531 Ang L6.N and P7.CD self-bump: 2.19475 Ang P7.N and P7.CG Number of specific fragments= 1 total=1492 # 2fal.37.40 read from T0187.t2k.frag # found chain 2fal in template set T0187 37 :SLFELPLEG 2fal 40 :ANFFADFKG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.96877 Ang E5.CD and L8.CD2 other bump:2.00572 Ang E5.OE1 and L8.CD2 neighbor-bump: 2.60318 Ang L6.N and P7.CD Number of specific fragments= 1 total=1493 # 1mba.37.40 read from T0187.t2k.frag # found chain 1mba in training set T0187 37 :SLFELPLEG 1mba 40 :ANFFADFKG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51215 Ang E5.CD and L8.CD1 other bump:1.42961 Ang E5.OE1 and L8.CD1 other bump:2.65179 Ang E5.OE1 and L8.CG neighbor-bump: 2.65019 Ang L6.N and P7.CD Number of specific fragments= 1 total=1494 # 1smeA.37.37 read from T0187.t2k.frag # found chain 1smeA in template set T0187 37 :SLFELPLEG 1smeA 38 :ANLWVPSVK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54763 Ang F4.CZ and L6.CD2 other bump:2.9071 Ang F4.CZ and L6.CD1 other bump:2.73365 Ang F4.CE2 and L6.CD1 neighbor-bump: 1.82212 Ang S2.O and L3.CD1 neighbor-bump: 2.75699 Ang S2.C and L3.CD1 Number of specific fragments= 1 total=1495 # 1fafA.37.37 read from T0187.t2k.frag # adding 1fafA to template set 1fafA:# found chain 1fafA in template set T0187 37 :SLFELPLEG 1fafA 38 :SLLLHPDKG 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 # 1b4cA.37.38 read from T0187.t2k.frag # found chain 1b4cA in template set T0187 37 :SLFELPLEG 1b4cA 38 :NELSHFLEE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38147 Ang P7.N and P7.CD Number of specific fragments= 1 total=1497 # 1dm1A.38.40 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 38 :LFELPLEGV 1dm1A 41 :NFFADFKGK Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35273 Ang L2.O and E8.OE2 other bump:2.08521 Ang L2.CD2 and E8.OE1 other bump:2.85597 Ang L2.CD2 and E8.CD other bump:2.69472 Ang E4.CD and L7.CD2 other bump:1.92009 Ang E4.OE1 and L7.CD2 self-bump: 1.35479 Ang P6.N and P6.CD neighbor-bump: 2.49531 Ang L5.N and P6.CD self-bump: 2.19475 Ang P6.N and P6.CG Number of specific fragments= 1 total=1498 # 2fal.38.41 read from T0187.t2k.frag # found chain 2fal in template set T0187 38 :LFELPLEGV 2fal 41 :NFFADFKGK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20667 Ang L7.O and V10.CG1 other bump:2.96877 Ang E4.CD and L7.CD2 other bump:2.00572 Ang E4.OE1 and L7.CD2 neighbor-bump: 2.60318 Ang L5.N and P6.CD Number of specific fragments= 1 total=1499 # 1mba.38.41 read from T0187.t2k.frag # found chain 1mba in training set T0187 38 :LFELPLEGV 1mba 41 :NFFADFKGK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51215 Ang E4.CD and L7.CD1 other bump:1.42961 Ang E4.OE1 and L7.CD1 other bump:2.65179 Ang E4.OE1 and L7.CG neighbor-bump: 2.65019 Ang L5.N and P6.CD Number of specific fragments= 1 total=1500 # 1ib8A.38.43 read from T0187.t2k.frag # adding 1ib8A to template set 1ib8A:# found chain 1ib8A in template set T0187 38 :LFELPLEGV 1ib8A 44 :IFVDKPEGI 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 # 1b4cA.38.39 read from T0187.t2k.frag # found chain 1b4cA in template set T0187 38 :LFELPLEGV 1b4cA 39 :ELSHFLEEI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38147 Ang P6.N and P6.CD Number of specific fragments= 1 total=1502 # 1fafA.38.38 read from T0187.t2k.frag # found chain 1fafA in template set T0187 38 :LFELPLEGV 1fafA 39 :LLLHPDKGG Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01217 Ang P6.N and V10.CG2 other bump:1.64136 Ang E4.O and V10.CG2 other bump:2.21692 Ang E4.C and V10.CG2 other bump:3.15768 Ang L5.CA and V10.CG2 other bump:2.88763 Ang L5.N and V10.CG2 other bump:2.60738 Ang L5.C and V10.CG2 other bump:3.20329 Ang E4.CA and V10.CG2 other bump:2.84827 Ang E4.C and V10.CG1 neighbor-bump: 2.95682 Ang G9.C and V10.CG1 other bump:2.08158 Ang F3.O and V10.CG1 other bump:2.93755 Ang F3.C and V10.CG1 other bump:3.15821 Ang E4.N and V10.CG1 other bump:2.57636 Ang E4.CA and V10.CG1 other bump:2.50874 Ang E4.O and V10.CB other bump:2.81297 Ang E4.C and V10.CB other bump:3.04472 Ang E4.CA and V10.CB Number of specific fragments= 1 total=1503 # 1dm1A.39.41 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 39 :FELPLEGVS 1dm1A 42 :FFADFKGKS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35273 Ang G1.O and E7.OE2 other bump:2.69472 Ang E3.CD and L6.CD2 other bump:1.92009 Ang E3.OE1 and L6.CD2 self-bump: 1.35479 Ang P5.N and P5.CD neighbor-bump: 2.49531 Ang L4.N and P5.CD self-bump: 2.19475 Ang P5.N and P5.CG Number of specific fragments= 1 total=1504 # 2fal.39.42 read from T0187.t2k.frag # found chain 2fal in template set T0187 39 :FELPLEGVS 2fal 42 :FFADFKGKS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20667 Ang L6.O and V9.CG1 other bump:2.96877 Ang E3.CD and L6.CD2 other bump:2.00572 Ang E3.OE1 and L6.CD2 neighbor-bump: 2.60318 Ang L4.N and P5.CD Number of specific fragments= 1 total=1505 # 1ib8A.39.44 read from T0187.t2k.frag # found chain 1ib8A in template set T0187 39 :FELPLEGVS 1ib8A 45 :FVDKPEGIT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1506 # 1mba.39.42 read from T0187.t2k.frag # found chain 1mba in training set T0187 39 :FELPLEGVS 1mba 42 :FFADFKGKS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51215 Ang E3.CD and L6.CD1 other bump:1.42961 Ang E3.OE1 and L6.CD1 other bump:2.65179 Ang E3.OE1 and L6.CG neighbor-bump: 2.65019 Ang L4.N and P5.CD Number of specific fragments= 1 total=1507 # 1qh4A.39.42 read from T0187.t2k.frag # adding 1qh4A to template set 1qh4A:# found chain 1qh4A in template set T0187 39 :FELPLEGVS 1qh4A 44 :DRQTSSGFT Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.96447 Ang L4.CD2 and S10.OG other bump:3.17754 Ang L4.CD2 and S10.CB other bump:2.98238 Ang P5.CG and V9.C other bump:2.56865 Ang P5.CD and V9.C other bump:2.47154 Ang P5.CG and V9.O other bump:1.55413 Ang P5.CD and V9.O other bump:2.85297 Ang P5.CG and V9.CB other bump:2.76197 Ang P5.CG and V9.CA other bump:3.11679 Ang P5.CD and V9.CA other bump:2.28878 Ang P5.CG and V9.N other bump:2.88037 Ang P5.CD and V9.N other bump:3.2828 Ang P5.CG and G8.C Number of specific fragments= 1 total=1508 # 1b4cA.39.40 read from T0187.t2k.frag # found chain 1b4cA in template set T0187 39 :FELPLEGVS 1b4cA 40 :LSHFLEEIK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36721 Ang S10.CA and S10.CB self-bump: 1.38147 Ang P5.N and P5.CD Number of specific fragments= 1 total=1509 # 1dm1A.40.42 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 40 :ELPLEGVSL 1dm1A 43 :FADFKGKSV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69471 Ang E2.CD and L5.CD2 other bump:1.92009 Ang E2.OE1 and L5.CD2 self-bump: 1.35479 Ang P4.N and P4.CD neighbor-bump: 2.49531 Ang L3.N and P4.CD self-bump: 2.19474 Ang P4.N and P4.CG Number of specific fragments= 1 total=1510 # 1ib8A.40.45 read from T0187.t2k.frag # found chain 1ib8A in template set T0187 40 :ELPLEGVSL 1ib8A 46 :VDKPEGITL 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 # 2fal.40.43 read from T0187.t2k.frag # found chain 2fal in template set T0187 40 :ELPLEGVSL 2fal 43 :FADFKGKSV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20667 Ang L5.O and V8.CG1 other bump:2.00572 Ang E2.OE1 and L5.CD2 other bump:2.96876 Ang E2.CD and L5.CD2 neighbor-bump: 2.60317 Ang L3.N and P4.CD Number of specific fragments= 1 total=1512 # 1qh4A.40.43 read from T0187.t2k.frag # found chain 1qh4A in template set T0187 40 :ELPLEGVSL 1qh4A 45 :RQTSSGFTL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98238 Ang P4.CG and V8.C other bump:2.56865 Ang P4.CD and V8.C other bump:2.47154 Ang P4.CG and V8.O other bump:1.55413 Ang P4.CD and V8.O other bump:2.85297 Ang P4.CG and V8.CB other bump:2.76197 Ang P4.CG and V8.CA other bump:3.11679 Ang P4.CD and V8.CA other bump:2.28878 Ang P4.CG and V8.N other bump:2.88037 Ang P4.CD and V8.N other bump:3.28279 Ang P4.CG and G7.C Number of specific fragments= 1 total=1513 # 1mba.40.43 read from T0187.t2k.frag # found chain 1mba in training set T0187 40 :ELPLEGVSL 1mba 43 :FADFKGKSV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51215 Ang E2.CD and L5.CD1 other bump:1.42961 Ang E2.OE1 and L5.CD1 other bump:2.65179 Ang E2.OE1 and L5.CG neighbor-bump: 2.65019 Ang L3.N and P4.CD Number of specific fragments= 1 total=1514 # 1b4cA.40.41 read from T0187.t2k.frag # found chain 1b4cA in template set T0187 40 :ELPLEGVSL 1b4cA 41 :SHFLEEIKE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36721 Ang S9.CA and S9.CB self-bump: 1.38147 Ang P4.N and P4.CD Number of specific fragments= 1 total=1515 # 1ib8A.41.46 read from T0187.t2k.frag # found chain 1ib8A in template set T0187 41 :LPLEGVSLE 1ib8A 47 :DKPEGITLN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1516 # 1dm1A.41.43 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 41 :LPLEGVSLE 1dm1A 44 :ADFKGKSVA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35479 Ang P3.N and P3.CD neighbor-bump: 2.49531 Ang L2.N and P3.CD self-bump: 2.19474 Ang P3.N and P3.CG Number of specific fragments= 1 total=1517 # 1qh4A.41.44 read from T0187.t2k.frag # found chain 1qh4A in template set T0187 41 :LPLEGVSLE 1qh4A 46 :QTSSGFTLD Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98238 Ang P3.CG and V7.C other bump:2.56865 Ang P3.CD and V7.C other bump:2.47154 Ang P3.CG and V7.O other bump:1.55413 Ang P3.CD and V7.O other bump:2.85297 Ang P3.CG and V7.CB other bump:2.76197 Ang P3.CG and V7.CA other bump:3.11679 Ang P3.CD and V7.CA other bump:2.28878 Ang P3.CG and V7.N other bump:2.88037 Ang P3.CD and V7.N other bump:3.2828 Ang P3.CG and G6.C Number of specific fragments= 1 total=1518 # 2fal.41.44 read from T0187.t2k.frag # found chain 2fal in template set T0187 41 :LPLEGVSLE 2fal 44 :ADFKGKSVA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20667 Ang L4.O and V7.CG1 neighbor-bump: 2.60318 Ang L2.N and P3.CD Number of specific fragments= 1 total=1519 # 1mba.41.44 read from T0187.t2k.frag # found chain 1mba in training set T0187 41 :LPLEGVSLE 1mba 44 :ADFKGKSVA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.65019 Ang L2.N and P3.CD Number of specific fragments= 1 total=1520 # 1b5l.41.42 read from T0187.t2k.frag # found chain 1b5l in template set T0187 41 :LPLEGVSLE 1b5l 43 :VEGDQLQKD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1521 # 1ib8A.42.47 read from T0187.t2k.frag # found chain 1ib8A in template set T0187 42 :PLEGVSLEE 1ib8A 48 :KPEGITLND Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1522 # 1qh4A.42.45 read from T0187.t2k.frag # found chain 1qh4A in template set T0187 42 :PLEGVSLEE 1qh4A 47 :TSSGFTLDD Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98238 Ang P2.CG and V6.C other bump:2.56865 Ang P2.CD and V6.C other bump:2.47154 Ang P2.CG and V6.O other bump:1.55413 Ang P2.CD and V6.O other bump:2.85297 Ang P2.CG and V6.CB other bump:2.76197 Ang P2.CG and V6.CA other bump:3.11679 Ang P2.CD and V6.CA other bump:2.28878 Ang P2.CG and V6.N other bump:2.88037 Ang P2.CD and V6.N other bump:3.2828 Ang P2.CG and G5.C Number of specific fragments= 1 total=1523 # 1dm1A.42.44 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 42 :PLEGVSLEE 1dm1A 45 :DFKGKSVAD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51145 Ang V6.CG2 and E10.CB Number of specific fragments= 1 total=1524 # 2fal.42.45 read from T0187.t2k.frag # found chain 2fal in template set T0187 42 :PLEGVSLEE 2fal 45 :DFKGKSVAD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7574 Ang V6.CG2 and E10.OE1 other bump:2.38794 Ang V6.CG2 and E10.CB other bump:2.20667 Ang L3.O and V6.CG1 Number of specific fragments= 1 total=1525 # 1mba.42.45 read from T0187.t2k.frag # found chain 1mba in training set T0187 42 :PLEGVSLEE 1mba 45 :DFKGKSVAD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74994 Ang V6.CG2 and E10.OE1 other bump:2.46482 Ang V6.CG2 and E10.CB Number of specific fragments= 1 total=1526 # 1b5l.42.43 read from T0187.t2k.frag # found chain 1b5l in template set T0187 42 :PLEGVSLEE 1b5l 44 :EGDQLQKDQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.23909 Ang V6.CB and E10.OE2 other bump:2.02811 Ang V6.CG1 and E10.OE2 other bump:3.23714 Ang V6.CG1 and E10.CD Number of specific fragments= 1 total=1527 # 1ib8A.43.48 read from T0187.t2k.frag # found chain 1ib8A in template set T0187 43 :LEGVSLEEI 1ib8A 49 :PEGITLNDT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1528 # 1qh4A.43.46 read from T0187.t2k.frag # found chain 1qh4A in template set T0187 43 :LEGVSLEEI 1qh4A 48 :SSGFTLDDV 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 # 1dm1A.43.45 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 43 :LEGVSLEEI 1dm1A 46 :FKGKSVADI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81912 Ang V5.CG1 and I10.CG1 other bump:2.51146 Ang V5.CG2 and E9.CB Number of specific fragments= 1 total=1530 # 2fal.43.46 read from T0187.t2k.frag # found chain 2fal in template set T0187 43 :LEGVSLEEI 2fal 46 :FKGKSVADI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68595 Ang V5.CG1 and I10.CG1 other bump:2.7574 Ang V5.CG2 and E9.OE1 other bump:2.38794 Ang V5.CG2 and E9.CB other bump:2.20667 Ang L2.O and V5.CG1 Number of specific fragments= 1 total=1531 # 1b5l.43.44 read from T0187.t2k.frag # found chain 1b5l in template set T0187 43 :LEGVSLEEI 1b5l 45 :GDQLQKDQA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.23909 Ang V5.CB and E9.OE2 other bump:2.02811 Ang V5.CG1 and E9.OE2 other bump:3.23714 Ang V5.CG1 and E9.CD Number of specific fragments= 1 total=1532 # 1mba.43.46 read from T0187.t2k.frag # found chain 1mba in training set T0187 43 :LEGVSLEEI 1mba 46 :FKGKSVADI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98291 Ang V5.CG1 and I10.CG1 other bump:2.74995 Ang V5.CG2 and E9.OE1 other bump:2.46482 Ang V5.CG2 and E9.CB Number of specific fragments= 1 total=1533 # 1ib8A.44.49 read from T0187.t2k.frag # found chain 1ib8A in template set T0187 44 :EGVSLEEIQ 1ib8A 50 :EGITLNDTA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1534 # 1qh4A.44.47 read from T0187.t2k.frag # found chain 1qh4A in template set T0187 44 :EGVSLEEIQ 1qh4A 49 :SGFTLDDVI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.22951 Ang I9.CD1 and Q10.NE2 neighbor-bump: 2.72201 Ang I9.CG1 and Q10.NE2 other bump:2.84892 Ang L6.CD1 and I9.CD1 Number of specific fragments= 1 total=1535 # 1dm1A.44.46 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 44 :EGVSLEEIQ 1dm1A 47 :KGKSVADIK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81912 Ang V4.CG1 and I9.CG1 other bump:2.51146 Ang V4.CG2 and E8.CB Number of specific fragments= 1 total=1536 # 1tpt.44.48 read from T0187.t2k.frag # adding 1tpt to template set 1tpt:# found chain 1tpt in template set Number of specific fragments= 0 total=1536 # 1b5l.44.45 read from T0187.t2k.frag # found chain 1b5l in template set T0187 44 :EGVSLEEIQ 1b5l 46 :DQLQKDQAF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.19024 Ang V4.CG2 and I9.CG1 other bump:2.02811 Ang V4.CG1 and E8.OE2 other bump:2.23909 Ang V4.CB and E8.OE2 other bump:3.23714 Ang V4.CG1 and E8.CD Number of specific fragments= 1 total=1537 # 2fal.44.47 read from T0187.t2k.frag # found chain 2fal in template set T0187 44 :EGVSLEEIQ 2fal 47 :KGKSVADIK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68595 Ang V4.CG1 and I9.CG1 other bump:2.7574 Ang V4.CG2 and E8.OE1 other bump:2.38794 Ang V4.CG2 and E8.CB other bump:2.20667 Ang G1.O and V4.CG1 Number of specific fragments= 1 total=1538 # 1ib8A.45.50 read from T0187.t2k.frag # found chain 1ib8A in template set T0187 45 :GVSLEEIQK 1ib8A 51 :GITLNDTAD 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 # 1qh4A.45.48 read from T0187.t2k.frag # found chain 1qh4A in template set T0187 45 :GVSLEEIQK 1qh4A 50 :GFTLDDVIQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84892 Ang L5.CD1 and I8.CD1 Number of specific fragments= 1 total=1540 # 1tpt.45.49 read from T0187.t2k.frag # found chain 1tpt in template set Number of specific fragments= 0 total=1540 # 1dm1A.45.47 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 45 :GVSLEEIQK 1dm1A 48 :GKSVADIKA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81912 Ang V3.CG1 and I8.CG1 other bump:2.51146 Ang V3.CG2 and E7.CB Number of specific fragments= 1 total=1541 # 1brwA.45.48 read from T0187.t2k.frag # adding 1brwA to template set 1brwA:# found chain 1brwA in template set T0187 45 :GVSLEEIQK 1brwA 49 :GMTEEETAA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.86161 Ang V3.CG2 and I8.CD1 other bump:2.41573 Ang V3.CG2 and I8.CG1 Number of specific fragments= 1 total=1542 # 1b5l.45.46 read from T0187.t2k.frag # found chain 1b5l in template set T0187 45 :GVSLEEIQK 1b5l 47 :QLQKDQAFP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.19024 Ang V3.CG2 and I8.CG1 other bump:2.23909 Ang V3.CB and E7.OE2 other bump:2.02811 Ang V3.CG1 and E7.OE2 other bump:3.23714 Ang V3.CG1 and E7.CD Number of specific fragments= 1 total=1543 # 1ib8A.46.51 read from T0187.t2k.frag # found chain 1ib8A in template set T0187 46 :VSLEEIQKL 1ib8A 52 :ITLNDTADL 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 # 1tpt.46.50 read from T0187.t2k.frag # found chain 1tpt in template set Number of specific fragments= 0 total=1544 # 1qh4A.46.49 read from T0187.t2k.frag # found chain 1qh4A in template set T0187 46 :VSLEEIQKL 1qh4A 51 :FTLDDVIQT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84892 Ang L4.CD1 and I7.CD1 Number of specific fragments= 1 total=1545 # 1brwA.46.49 read from T0187.t2k.frag # found chain 1brwA in template set T0187 46 :VSLEEIQKL 1brwA 50 :MTEEETAAL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.86161 Ang V2.CG2 and I7.CD1 other bump:2.41573 Ang V2.CG2 and I7.CG1 Number of specific fragments= 1 total=1546 # 1dm1A.46.48 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 46 :VSLEEIQKL 1dm1A 49 :KSVADIKAS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89436 Ang V2.CG2 and I7.CG1 Number of specific fragments= 1 total=1547 # 1f44A.46.46 read from T0187.t2k.frag # adding 1f44A to template set 1f44A:Skipped atom 194, because occupancy 0.5 <= existing 0.500001 Skipped atom 196, because occupancy 0.5 <= existing 0.500001 Skipped atom 198, because occupancy 0.5 <= existing 0.500001 Skipped atom 200, because occupancy 0.5 <= existing 0.500001 Skipped atom 202, because occupancy 0.5 <= existing 0.500001 Skipped atom 204, because occupancy 0.5 <= existing 0.500001 Skipped atom 206, because occupancy 0.5 <= existing 0.500001 Skipped atom 208, because occupancy 0.5 <= existing 0.500001 Skipped atom 210, because occupancy 0.5 <= existing 0.500001 Skipped atom 212, because occupancy 0.5 <= existing 0.500001 # found chain 1f44A in template set T0187 46 :VSLEEIQKL 1f44A 66 :AEPEDVRDY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40955 Ang V2.CG1 and I7.CG1 Number of specific fragments= 1 total=1548 # 1ib8A.47.52 read from T0187.t2k.frag # found chain 1ib8A in template set T0187 47 :SLEEIQKLT 1ib8A 53 :TLNDTADLT 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 # 1tpt.47.51 read from T0187.t2k.frag # found chain 1tpt in template set Number of specific fragments= 0 total=1549 # 1brwA.47.50 read from T0187.t2k.frag # found chain 1brwA in template set T0187 47 :SLEEIQKLT 1brwA 51 :TEEETAALT 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 # 1qh4A.47.50 read from T0187.t2k.frag # found chain 1qh4A in template set T0187 47 :SLEEIQKLT 1qh4A 52 :TLDDVIQTG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84892 Ang L3.CD1 and I6.CD1 Number of specific fragments= 1 total=1551 # 1b5l.47.48 read from T0187.t2k.frag # found chain 1b5l in template set T0187 47 :SLEEIQKLT 1b5l 49 :QKDQAFPVL 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 # 1f44A.47.47 read from T0187.t2k.frag # found chain 1f44A in template set T0187 47 :SLEEIQKLT 1f44A 67 :EPEDVRDYL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1553 # 1tpt.48.52 read from T0187.t2k.frag # found chain 1tpt in template set Number of specific fragments= 0 total=1553 # 1brwA.48.51 read from T0187.t2k.frag # found chain 1brwA in template set T0187 48 :LEEIQKLTS 1brwA 52 :EEETAALTM 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 # 1ib8A.48.53 read from T0187.t2k.frag # found chain 1ib8A in template set T0187 48 :LEEIQKLTS 1ib8A 54 :LNDTADLTE 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 # 1f44A.48.48 read from T0187.t2k.frag # found chain 1f44A in template set T0187 48 :LEEIQKLTS 1f44A 68 :PEDVRDYLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1556 # 1b5l.48.49 read from T0187.t2k.frag # found chain 1b5l in template set T0187 48 :LEEIQKLTS 1b5l 50 :KDQAFPVLY 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 # 2spo.48.51 read from T0187.t2k.frag # adding 2spo to template set 2spo:# found chain 2spo in template set T0187 48 :LEEIQKLTS 2spo 51 :TEAEMKASE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17453 Ang L2.CD2 and E4.CB other bump:2.92186 Ang L2.CD2 and E4.CA other bump:2.93805 Ang L2.CG and E4.N Number of specific fragments= 1 total=1558 # 1tpt.49.53 read from T0187.t2k.frag # found chain 1tpt in template set Number of specific fragments= 0 total=1558 # 1brwA.49.52 read from T0187.t2k.frag # found chain 1brwA in template set T0187 49 :EEIQKLTSA 1brwA 53 :EETAALTMA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1559 # 1ib8A.49.54 read from T0187.t2k.frag # found chain 1ib8A in template set T0187 49 :EEIQKLTSA 1ib8A 55 :NDTADLTEM 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 # 1f44A.49.49 read from T0187.t2k.frag # found chain 1f44A in template set T0187 49 :EEIQKLTSA 1f44A 69 :EDVRDYLLY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1561 # 1b5l.49.50 read from T0187.t2k.frag # found chain 1b5l in template set T0187 49 :EEIQKLTSA 1b5l 51 :DQAFPVLYE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1562 # 4crxA.49.49 read from T0187.t2k.frag # adding 4crxA to template set 4crxA:# found chain 4crxA in template set T0187 49 :EEIQKLTSA 4crxA 69 :EDVRDYLLY 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 # 1tpt.50.54 read from T0187.t2k.frag # found chain 1tpt in template set Number of specific fragments= 0 total=1563 # 1brwA.50.53 read from T0187.t2k.frag # found chain 1brwA in template set T0187 50 :EIQKLTSAL 1brwA 54 :ETAALTMAM 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 # 1f44A.50.50 read from T0187.t2k.frag # found chain 1f44A in template set T0187 50 :EIQKLTSAL 1f44A 70 :DVRDYLLYL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1565 # 4crxA.50.50 read from T0187.t2k.frag # found chain 4crxA in template set T0187 50 :EIQKLTSAL 4crxA 70 :DVRDYLLYL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1566 # 1b5l.50.51 read from T0187.t2k.frag # found chain 1b5l in template set T0187 50 :EIQKLTSAL 1b5l 52 :QAFPVLYEM 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 # 1crxA.50.50 read from T0187.t2k.frag # adding 1crxA to template set 1crxA:# found chain 1crxA in template set T0187 50 :EIQKLTSAL 1crxA 70 :DVRDYLLYL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1568 # 1brwA.51.54 read from T0187.t2k.frag # found chain 1brwA in template set T0187 51 :IQKLTSALL 1brwA 55 :TAALTMAMV 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 # 1tpt.51.55 read from T0187.t2k.frag # found chain 1tpt in template set Number of specific fragments= 0 total=1569 # 1f44A.51.51 read from T0187.t2k.frag # found chain 1f44A in template set T0187 51 :IQKLTSALL 1f44A 71 :VRDYLLYLQ 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 # 4crxA.51.51 read from T0187.t2k.frag # found chain 4crxA in template set T0187 51 :IQKLTSALL 4crxA 71 :VRDYLLYLQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1571 # 1crxA.51.51 read from T0187.t2k.frag # found chain 1crxA in template set T0187 51 :IQKLTSALL 1crxA 71 :VRDYLLYLQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1572 # 1b5l.51.52 read from T0187.t2k.frag # found chain 1b5l in template set T0187 51 :IQKLTSALL 1b5l 53 :AFPVLYEML 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 # 1brwA.52.55 read from T0187.t2k.frag # found chain 1brwA in template set T0187 52 :QKLTSALLK 1brwA 56 :AALTMAMVQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1574 # 1tpt.52.56 read from T0187.t2k.frag # found chain 1tpt in template set Number of specific fragments= 0 total=1574 # 1f44A.52.52 read from T0187.t2k.frag # found chain 1f44A in template set T0187 52 :QKLTSALLK 1f44A 72 :RDYLLYLQA 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 # 4crxA.52.52 read from T0187.t2k.frag # found chain 4crxA in template set T0187 52 :QKLTSALLK 4crxA 72 :RDYLLYLQA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1576 # 1crxA.52.52 read from T0187.t2k.frag # found chain 1crxA in template set T0187 52 :QKLTSALLK 1crxA 72 :RDYLLYLQA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1577 # 2spo.52.55 read from T0187.t2k.frag # found chain 2spo in template set T0187 52 :QKLTSALLK 2spo 55 :MKASEDLKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1578 # 1brwA.53.56 read from T0187.t2k.frag # found chain 1brwA in template set T0187 53 :KLTSALLKS 1brwA 57 :ALTMAMVQS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1579 # 1tpt.53.57 read from T0187.t2k.frag # found chain 1tpt in template set Number of specific fragments= 0 total=1579 # 1f44A.53.53 read from T0187.t2k.frag # found chain 1f44A in template set T0187 53 :KLTSALLKS 1f44A 73 :DYLLYLQAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1580 # 4crxA.53.53 read from T0187.t2k.frag # found chain 4crxA in template set T0187 53 :KLTSALLKS 4crxA 73 :DYLLYLQAR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.18032 Ang L7.O and S10.OG Number of specific fragments= 1 total=1581 # 1crxA.53.53 read from T0187.t2k.frag # found chain 1crxA in template set T0187 53 :KLTSALLKS 1crxA 73 :DYLLYLQAR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61976 Ang L7.CA and S10.OG other bump:2.46319 Ang L7.C and S10.OG other bump:1.87813 Ang L7.O and S10.OG Number of specific fragments= 1 total=1582 # 1go3F.53.53 read from T0187.t2k.frag # adding 1go3F to template set 1go3F:# found chain 1go3F in template set T0187 53 :KLTSALLKS 1go3F 54 :KLVEELISL 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 # 1tpt.54.58 read from T0187.t2k.frag # found chain 1tpt in template set Number of specific fragments= 0 total=1583 # 1f44A.54.54 read from T0187.t2k.frag # found chain 1f44A in template set T0187 54 :LTSALLKSG 1f44A 74 :YLLYLQARG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1584 # 1brwA.54.57 read from T0187.t2k.frag # found chain 1brwA in template set T0187 54 :LTSALLKSG 1brwA 58 :LTMAMVQSG 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 # 4crxA.54.54 read from T0187.t2k.frag # found chain 4crxA in template set T0187 54 :LTSALLKSG 4crxA 74 :YLLYLQARG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1586 # 1crxA.54.54 read from T0187.t2k.frag # found chain 1crxA in template set T0187 54 :LTSALLKSG 1crxA 74 :YLLYLQARG 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 # 1lkzA.54.55 read from T0187.t2k.frag # adding 1lkzA to template set 1lkzA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1lkzA in template set T0187 54 :LTSALLKSG 1lkzA 56 :STEKLKSLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1588 # 1f44A.55.55 read from T0187.t2k.frag # found chain 1f44A in template set T0187 55 :TSALLKSGA 1f44A 75 :LLYLQARGL 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 # 4crxA.55.55 read from T0187.t2k.frag # found chain 4crxA in template set T0187 55 :TSALLKSGA 4crxA 75 :LLYLQARGL 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 # 1crxA.55.55 read from T0187.t2k.frag # found chain 1crxA in template set T0187 55 :TSALLKSGA 1crxA 75 :LLYLQARGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1591 # 1tpt.55.59 read from T0187.t2k.frag # found chain 1tpt in template set Number of specific fragments= 0 total=1591 # 1brwA.55.58 read from T0187.t2k.frag # found chain 1brwA in template set T0187 55 :TSALLKSGA 1brwA 59 :TMAMVQSGE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1592 # 1lkzA.55.56 read from T0187.t2k.frag # found chain 1lkzA in template set T0187 55 :TSALLKSGA 1lkzA 57 :TEKLKSLGI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1593 # 1lkzA.56.57 read from T0187.t2k.frag # found chain 1lkzA in template set T0187 56 :SALLKSGAS 1lkzA 58 :EKLKSLGIH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1594 # 1f44A.56.56 read from T0187.t2k.frag # found chain 1f44A in template set T0187 56 :SALLKSGAS 1f44A 76 :LYLQARGLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1595 # 4crxA.56.56 read from T0187.t2k.frag # found chain 4crxA in template set T0187 56 :SALLKSGAS 4crxA 76 :LYLQARGLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1596 # 1crxA.56.56 read from T0187.t2k.frag # found chain 1crxA in template set T0187 56 :SALLKSGAS 1crxA 76 :LYLQARGLA 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 # 1tpt.56.60 read from T0187.t2k.frag # found chain 1tpt in template set Number of specific fragments= 0 total=1597 # 1brwA.56.59 read from T0187.t2k.frag # found chain 1brwA in template set T0187 56 :SALLKSGAS 1brwA 60 :MAMVQSGEM 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 # 1lkzA.57.58 read from T0187.t2k.frag # found chain 1lkzA in template set T0187 57 :ALLKSGASI 1lkzA 59 :KLKSLGIHV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1599 # 1f44A.57.57 read from T0187.t2k.frag # found chain 1f44A in template set T0187 57 :ALLKSGASI 1f44A 77 :YLQARGLAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1600 # 4crxA.57.57 read from T0187.t2k.frag # found chain 4crxA in template set T0187 57 :ALLKSGASI 4crxA 77 :YLQARGLAV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56988 Ang S9.OG and G11.N Number of specific fragments= 1 total=1601 # 1crxA.57.57 read from T0187.t2k.frag # found chain 1crxA in template set T0187 57 :ALLKSGASI 1crxA 77 :YLQARGLAV 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 # 1jbwA.57.59 read from T0187.t2k.frag # found chain 1jbwA in training set T0187 57 :ALLKSGASI 1jbwA 60 :VLEASGLTV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98071 Ang L4.CG and I10.CG1 other bump:2.87723 Ang L4.CD2 and I10.CG1 Number of specific fragments= 1 total=1603 # 1fgs.57.59 read from T0187.t2k.frag # adding 1fgs to template set 1fgs:# found chain 1fgs in template set T0187 57 :ALLKSGASI 1fgs 60 :VLEASGLTV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84536 Ang L4.CG and I10.CG1 other bump:2.87092 Ang L4.CD2 and I10.CG1 other bump:2.94447 Ang L4.CD2 and I10.N Number of specific fragments= 1 total=1604 # 1lkzA.58.59 read from T0187.t2k.frag # found chain 1lkzA in template set T0187 58 :LLKSGASIE 1lkzA 60 :LKSLGIHVF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1605 # 1f44A.58.58 read from T0187.t2k.frag # found chain 1f44A in template set T0187 58 :LLKSGASIE 1f44A 78 :LQARGLAVK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1606 # 4crxA.58.58 read from T0187.t2k.frag # found chain 4crxA in template set T0187 58 :LLKSGASIE 4crxA 78 :LQARGLAVK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56988 Ang S8.OG and E10.N Number of specific fragments= 1 total=1607 # 1crxA.58.58 read from T0187.t2k.frag # found chain 1crxA in template set T0187 58 :LLKSGASIE 1crxA 78 :LQARGLAVK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1608 # 1jbwA.58.60 read from T0187.t2k.frag # found chain 1jbwA in training set T0187 58 :LLKSGASIE 1jbwA 61 :LEASGLTVG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9807 Ang L3.CG and I9.CG1 other bump:2.87722 Ang L3.CD2 and I9.CG1 Number of specific fragments= 1 total=1609 # 1c20A.58.60 read from T0187.t2k.frag # adding 1c20A to template set 1c20A:# found chain 1c20A in template set T0187 58 :LLKSGASIE 1c20A 63 :VIARGGLVD 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 # 1lkzA.59.60 read from T0187.t2k.frag # found chain 1lkzA in template set T0187 59 :LKSGASIEE 1lkzA 61 :KSLGIHVFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1611 # 1c20A.59.61 read from T0187.t2k.frag # found chain 1c20A in template set T0187 59 :LKSGASIEE 1c20A 64 :IARGGLVDV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57144 Ang A6.CA and E9.OE1 other bump:1.9341 Ang A6.CB and E9.OE1 other bump:2.91171 Ang A6.CB and E9.CD Number of specific fragments= 1 total=1612 # 1f44A.59.59 read from T0187.t2k.frag # found chain 1f44A in template set T0187 59 :LKSGASIEE 1f44A 79 :QARGLAVKT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1613 # 1jbwA.59.61 read from T0187.t2k.frag # found chain 1jbwA in training set T0187 59 :LKSGASIEE 1jbwA 62 :EASGLTVGL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98071 Ang L2.CG and I8.CG1 other bump:2.87722 Ang L2.CD2 and I8.CG1 Number of specific fragments= 1 total=1614 # 1fgs.59.61 read from T0187.t2k.frag # found chain 1fgs in template set T0187 59 :LKSGASIEE 1fgs 62 :EASGLTVGL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84536 Ang L2.CG and I8.CG1 other bump:2.87092 Ang L2.CD2 and I8.CG1 other bump:2.94446 Ang L2.CD2 and I8.N Number of specific fragments= 1 total=1615 # 4crxA.59.59 read from T0187.t2k.frag # found chain 4crxA in template set T0187 59 :LKSGASIEE 4crxA 79 :QARGLAVKT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56988 Ang S7.OG and E9.N Number of specific fragments= 1 total=1616 # 1lkzA.60.61 read from T0187.t2k.frag # found chain 1lkzA in template set T0187 60 :KSGASIEEI 1lkzA 62 :SLGIHVFDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1617 # 1c20A.60.62 read from T0187.t2k.frag # found chain 1c20A in template set T0187 60 :KSGASIEEI 1c20A 65 :ARGGLVDVI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57144 Ang A5.CA and E8.OE1 other bump:1.9341 Ang A5.CB and E8.OE1 other bump:2.91171 Ang A5.CB and E8.CD Number of specific fragments= 1 total=1618 # 1f44A.60.60 read from T0187.t2k.frag # found chain 1f44A in template set T0187 60 :KSGASIEEI 1f44A 80 :ARGLAVKTI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1619 # 1whtB.60.61 read from T0187.t2k.frag # adding 1whtB to template set 1whtB:# found chain 1whtB in template set T0187 60 :KSGASIEEI 1whtB 322 :AAGLRIWVF 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 # 4crxA.60.60 read from T0187.t2k.frag # found chain 4crxA in template set T0187 60 :KSGASIEEI 4crxA 80 :ARGLAVKTI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56988 Ang S6.OG and E8.N Number of specific fragments= 1 total=1621 # 1crxA.60.60 read from T0187.t2k.frag # found chain 1crxA in template set T0187 60 :KSGASIEEI 1crxA 80 :ARGLAVKTI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1622 # 1lkzA.61.62 read from T0187.t2k.frag # found chain 1lkzA in template set T0187 61 :SGASIEEIN 1lkzA 63 :LGIHVFDLN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1623 # 1c20A.61.63 read from T0187.t2k.frag # found chain 1c20A in template set T0187 61 :SGASIEEIN 1c20A 66 :RGGLVDVIN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57144 Ang A4.CA and E7.OE1 other bump:1.9341 Ang A4.CB and E7.OE1 other bump:2.91171 Ang A4.CB and E7.CD Number of specific fragments= 1 total=1624 # 1ksoA.61.65 read from T0187.t2k.frag # adding 1ksoA to template set 1ksoA:# found chain 1ksoA in template set T0187 61 :SGASIEEIN 1ksoA 66 :KDCEVDFVE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46979 Ang I6.CG1 and N10.ND2 other bump:2.2773 Ang I6.CG2 and N10.ND2 other bump:2.84861 Ang I6.CG2 and N10.CG other bump:2.65503 Ang I6.CG2 and N10.CB neighbor-bump: 2.51666 Ang E7.CG and E8.N Number of specific fragments= 1 total=1625 # 1f44A.61.61 read from T0187.t2k.frag # found chain 1f44A in template set T0187 61 :SGASIEEIN 1f44A 81 :RGLAVKTIQ 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 # 2cxbA.61.66 read from T0187.t2k.frag # adding 2cxbA to template set 2cxbA:# found chain 2cxbA in template set T0187 61 :SGASIEEIN 2cxbA 67 :KGLAWDEEH 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 # 1cxc.61.66 read from T0187.t2k.frag # adding 1cxc to template set 1cxc:# found chain 1cxc in template set T0187 61 :SGASIEEIN 1cxc 67 :KGLAWDEEH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1628 # 1lkzA.62.63 read from T0187.t2k.frag # found chain 1lkzA in template set T0187 62 :GASIEEINT 1lkzA 64 :GIHVFDLNE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1629 # 1c20A.62.64 read from T0187.t2k.frag # found chain 1c20A in template set T0187 62 :GASIEEINT 1c20A 67 :GGLVDVINK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57144 Ang A3.CA and E6.OE1 other bump:1.9341 Ang A3.CB and E6.OE1 other bump:2.91171 Ang A3.CB and E6.CD Number of specific fragments= 1 total=1630 # 1ksoA.62.66 read from T0187.t2k.frag # found chain 1ksoA in template set T0187 62 :GASIEEINT 1ksoA 67 :DCEVDFVEY Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2773 Ang I5.CG2 and N9.ND2 other bump:2.46979 Ang I5.CG1 and N9.ND2 other bump:2.84861 Ang I5.CG2 and N9.CG other bump:2.65503 Ang I5.CG2 and N9.CB neighbor-bump: 2.51666 Ang E6.CG and E7.N Number of specific fragments= 1 total=1631 # 2cxbA.62.67 read from T0187.t2k.frag # found chain 2cxbA in template set T0187 62 :GASIEEINT 2cxbA 68 :GLAWDEEHF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43863 Ang I5.CG2 and T10.OG1 Number of specific fragments= 1 total=1632 # 1cxc.62.67 read from T0187.t2k.frag # found chain 1cxc in template set T0187 62 :GASIEEINT 1cxc 68 :GLAWDEEHF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.4689 Ang I5.CG2 and T10.OG1 Number of specific fragments= 1 total=1633 # 1tys.62.66 read from T0187.t2k.frag # adding 1tys to template set 1tys:Bad short name: O1 for alphabet: pdb_atoms Bad short name: O2 for alphabet: pdb_atoms Skipped atom 1685, because occupancy 0.35 <= existing 0.650001 Skipped atom 1687, because occupancy 0.35 <= existing 0.650001 Skipped atom 1689, because occupancy 0.35 <= existing 0.650001 Skipped atom 1691, because occupancy 0.35 <= existing 0.650001 Skipped atom 1693, because occupancy 0.35 <= existing 0.650001 Skipped atom 1695, because occupancy 0.35 <= existing 0.650001 Skipped atom 1697, because occupancy 0.35 <= existing 0.650001 Skipped atom 1699, because occupancy 0.35 <= existing 0.650001 # found chain 1tys in template set T0187 62 :GASIEEINT 1tys 66 :DTNIAYLHE 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 # 1lkzA.63.64 read from T0187.t2k.frag # found chain 1lkzA in template set T0187 63 :ASIEEINTV 1lkzA 65 :IHVFDLNEV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76697 Ang E5.OE1 and V10.CG2 Number of specific fragments= 1 total=1635 # 1c20A.63.65 read from T0187.t2k.frag # found chain 1c20A in template set T0187 63 :ASIEEINTV 1c20A 68 :GLVDVINKK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.24927 Ang E6.CD and G11.CA other bump:2.29787 Ang E6.OE2 and G11.CA other bump:2.57144 Ang A2.CA and E5.OE1 self-bump: 2.20477 Ang A2.CB and A2.C self-bump: 1.23841 Ang A2.CA and A2.CB Number of specific fragments= 1 total=1636 # 1ksoA.63.67 read from T0187.t2k.frag # found chain 1ksoA in template set T0187 63 :ASIEEINTV 1ksoA 68 :CEVDFVEYV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2773 Ang I4.CG2 and N8.ND2 other bump:2.46979 Ang I4.CG1 and N8.ND2 other bump:2.84861 Ang I4.CG2 and N8.CG other bump:2.65503 Ang I4.CG2 and N8.CB neighbor-bump: 2.51666 Ang E5.CG and E6.N Number of specific fragments= 1 total=1637 # 1lla.63.68 read from T0187.t2k.frag # adding 1lla to template set 1lla:# found chain 1lla in template set T0187 63 :ASIEEINTV 1lla 69 :DFNDFIEIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1638 # 1abv.63.67 read from T0187.t2k.frag # adding 1abv to template set 1abv:# found chain 1abv in template set T0187 63 :ASIEEINTV 1abv 68 :LDENGQNLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1639 # 2cxbA.63.68 read from T0187.t2k.frag # found chain 2cxbA in template set T0187 63 :ASIEEINTV 2cxbA 69 :LAWDEEHFV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43863 Ang I4.CG2 and T9.OG1 Number of specific fragments= 1 total=1640 # 1lkzA.64.65 read from T0187.t2k.frag # found chain 1lkzA in template set T0187 64 :SIEEINTVR 1lkzA 66 :HVFDLNEVD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76697 Ang E4.OE1 and V9.CG2 Number of specific fragments= 1 total=1641 # 1ksoA.64.68 read from T0187.t2k.frag # found chain 1ksoA in template set T0187 64 :SIEEINTVR 1ksoA 69 :EVDFVEYVR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46978 Ang I3.CG1 and N7.ND2 other bump:2.2773 Ang I3.CG2 and N7.ND2 other bump:2.84861 Ang I3.CG2 and N7.CG other bump:2.65503 Ang I3.CG2 and N7.CB neighbor-bump: 2.51666 Ang E4.CG and E5.N Number of specific fragments= 1 total=1642 # 1c20A.64.66 read from T0187.t2k.frag # found chain 1c20A in template set T0187 64 :SIEEINTVR 1c20A 69 :LVDVINKKL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.16214 Ang E5.CD and R10.C other bump:1.99478 Ang E5.OE2 and R10.C other bump:1.97181 Ang E5.OE2 and R10.O other bump:2.35163 Ang E5.CD and R10.CB other bump:1.80974 Ang E5.OE2 and R10.CB other bump:2.61693 Ang E5.OE1 and R10.CB other bump:3.24928 Ang E5.CD and R10.CA other bump:2.29788 Ang E5.OE2 and R10.CA Number of specific fragments= 1 total=1643 # 1lla.64.69 read from T0187.t2k.frag # found chain 1lla in template set T0187 64 :SIEEINTVR 1lla 70 :FNDFIEIAK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.62937 Ang I6.CG2 and R10.NH2 other bump:2.7702 Ang I6.CB and R10.NH2 other bump:2.5174 Ang I6.CG2 and R10.NH1 other bump:2.1738 Ang I6.CG2 and R10.CZ Number of specific fragments= 1 total=1644 # 1abv.64.68 read from T0187.t2k.frag # found chain 1abv in template set T0187 64 :SIEEINTVR 1abv 69 :DENGQNLIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1645 # 1c0nA.64.64 read from T0187.t2k.frag # adding 1c0nA to template set 1c0nA:# found chain 1c0nA in template set T0187 64 :SIEEINTVR 1c0nA 65 :ATEKMENVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1646 # 1lkzA.65.66 read from T0187.t2k.frag # found chain 1lkzA in template set T0187 65 :IEEINTVRK 1lkzA 67 :VFDLNEVDS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74639 Ang V8.CG1 and K10.O other bump:2.76697 Ang E3.OE1 and V8.CG2 Number of specific fragments= 1 total=1647 # 1c0nA.65.65 read from T0187.t2k.frag # found chain 1c0nA in template set T0187 65 :IEEINTVRK 1c0nA 66 :TEKMENVRK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1648 # 1lla.65.70 read from T0187.t2k.frag # found chain 1lla in template set T0187 65 :IEEINTVRK 1lla 71 :NDFIEIAKE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.62937 Ang I5.CG2 and R9.NH2 other bump:2.77019 Ang I5.CB and R9.NH2 other bump:2.5174 Ang I5.CG2 and R9.NH1 other bump:2.1738 Ang I5.CG2 and R9.CZ Number of specific fragments= 1 total=1649 # 1ksoA.65.69 read from T0187.t2k.frag # found chain 1ksoA in template set T0187 65 :IEEINTVRK 1ksoA 70 :VDFVEYVRS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2773 Ang I2.CG2 and N6.ND2 other bump:2.46978 Ang I2.CG1 and N6.ND2 other bump:2.84861 Ang I2.CG2 and N6.CG other bump:2.65503 Ang I2.CG2 and N6.CB neighbor-bump: 2.51666 Ang E3.CG and E4.N Number of specific fragments= 1 total=1650 # 1abv.65.69 read from T0187.t2k.frag # found chain 1abv in template set T0187 65 :IEEINTVRK 1abv 70 :ENGQNLIRV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1651 # 1fxkC.65.30 read from T0187.t2k.frag # found chain 1fxkC in template set T0187 65 :IEEINTVRK 1fxkC 35 :ISELEILEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1652 # 1c0nA.66.66 read from T0187.t2k.frag # found chain 1c0nA in template set T0187 66 :EEINTVRKH 1c0nA 67 :EKMENVRKR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35515 Ang H10.CA and H10.CB Number of specific fragments= 1 total=1653 # 1lla.66.71 read from T0187.t2k.frag # found chain 1lla in template set T0187 66 :EEINTVRKH 1lla 72 :DFIEIAKEA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.62937 Ang I4.CG2 and R8.NH2 other bump:2.77019 Ang I4.CB and R8.NH2 other bump:2.5174 Ang I4.CG2 and R8.NH1 other bump:2.1738 Ang I4.CG2 and R8.CZ Number of specific fragments= 1 total=1654 # 1lkzA.66.67 read from T0187.t2k.frag # found chain 1lkzA in template set T0187 66 :EEINTVRKH 1lkzA 68 :FDLNEVDSL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67934 Ang V7.CG1 and H10.NE2 other bump:2.47521 Ang V7.CG1 and H10.CE1 other bump:3.19476 Ang V7.CG1 and H10.ND1 other bump:2.74639 Ang V7.CG1 and K9.O Number of specific fragments= 1 total=1655 # 1ksoA.66.70 read from T0187.t2k.frag # found chain 1ksoA in template set T0187 66 :EEINTVRKH 1ksoA 71 :DFVEYVRSL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.51666 Ang E2.CG and E3.N Number of specific fragments= 1 total=1656 # 1fxkC.66.31 read from T0187.t2k.frag # found chain 1fxkC in template set T0187 66 :EEINTVRKH 1fxkC 36 :SELEILEKT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1657 # 1abv.66.70 read from T0187.t2k.frag # found chain 1abv in template set T0187 66 :EEINTVRKH 1abv 71 :NGQNLIRVM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1658 # 1c0nA.67.67 read from T0187.t2k.frag # found chain 1c0nA in template set T0187 67 :EINTVRKHL 1c0nA 68 :KMENVRKRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1659 # 1lla.67.72 read from T0187.t2k.frag # found chain 1lla in template set T0187 67 :EINTVRKHL 1lla 73 :FIEIAKEAR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.2645 Ang R7.CA and L10.CD2 other bump:1.62937 Ang I3.CG2 and R7.NH2 other bump:2.77019 Ang I3.CB and R7.NH2 other bump:2.5174 Ang I3.CG2 and R7.NH1 other bump:2.1738 Ang I3.CG2 and R7.CZ Number of specific fragments= 1 total=1660 # 1ksoA.67.71 read from T0187.t2k.frag # found chain 1ksoA in template set T0187 67 :EINTVRKHL 1ksoA 72 :FVEYVRSLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1661 # 1jiwP.67.67 read from T0187.t2k.frag # adding 1jiwP to template set 1jiwP:# found chain 1jiwP in template set T0187 67 :EINTVRKHL 1jiwP 68 :FFNTPWKYV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1662 # 1abv.67.71 read from T0187.t2k.frag # found chain 1abv in template set T0187 67 :EINTVRKHL 1abv 72 :GQNLIRVMA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1663 # 1ithA.67.67 read from T0187.t2k.frag # adding 1ithA to template set 1ithA:# found chain 1ithA in template set T0187 67 :EINTVRKHL 1ithA 68 :VINYLDKVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1664 # 1lla.68.73 read from T0187.t2k.frag # found chain 1lla in template set T0187 68 :INTVRKHLS 1lla 74 :IEIAKEART Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.26449 Ang R6.CA and L9.CD2 other bump:1.62937 Ang I2.CG2 and R6.NH2 other bump:2.77019 Ang I2.CB and R6.NH2 other bump:2.5174 Ang I2.CG2 and R6.NH1 other bump:2.1738 Ang I2.CG2 and R6.CZ Number of specific fragments= 1 total=1665 # 1c0nA.68.68 read from T0187.t2k.frag # found chain 1c0nA in template set T0187 68 :INTVRKHLS 1c0nA 69 :MENVRKRAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1666 # 1i3dA.68.70 read from T0187.t2k.frag # adding 1i3dA to template set 1i3dA:# found chain 1i3dA in template set T0187 68 :INT 1i3dA 71 :LGD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 73 :K 1i3dA 76 :K Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 76 :S 1i3dA 79 :D Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 3 total=1669 Number of alignments=308 # 1jiwP.68.68 read from T0187.t2k.frag # found chain 1jiwP in template set T0187 68 :INTVRKHLS 1jiwP 69 :FNTPWKYVS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1670 # 1ithA.68.68 read from T0187.t2k.frag # found chain 1ithA in template set T0187 68 :INTVRKHLS 1ithA 69 :INYLDKVVD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1671 # 1ksoA.68.72 read from T0187.t2k.frag # found chain 1ksoA in template set T0187 68 :INTVRKHLS 1ksoA 73 :VEYVRSLAC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1672 # 1lla.69.74 read from T0187.t2k.frag # found chain 1lla in template set T0187 69 :NTVRKHLSQ 1lla 75 :EIAKEARTF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.26449 Ang R5.CA and L8.CD2 Number of specific fragments= 1 total=1673 # 1c0nA.69.69 read from T0187.t2k.frag # found chain 1c0nA in template set T0187 69 :NTVRKHLSQ 1c0nA 70 :ENVRKRASL 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 # 1i3dA.69.71 read from T0187.t2k.frag # found chain 1i3dA in template set T0187 69 :NT 1i3dA 72 :GD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 73 :K 1i3dA 76 :K Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 76 :SQ 1i3dA 79 :DD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues self-bump: 1.41013 Ang Q3.CA and Q3.C Number of specific fragments= 3 total=1677 Number of alignments=309 # 1jiwP.69.69 read from T0187.t2k.frag # found chain 1jiwP in template set T0187 69 :NTVRKHLSQ 1jiwP 70 :NTPWKYVSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1678 # 1ithA.69.69 read from T0187.t2k.frag # found chain 1ithA in template set T0187 69 :NTVRKHLSQ 1ithA 70 :NYLDKVVDA 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 # 1ksoA.69.73 read from T0187.t2k.frag # found chain 1ksoA in template set T0187 69 :NTVRKHLSQ 1ksoA 74 :EYVRSLACL 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 # 1lla.70.75 read from T0187.t2k.frag # found chain 1lla in template set T0187 70 :TVRKHLSQV 1lla 76 :IAKEARTFV Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60228 Ang H6.CD2 and V10.CG2 other bump:2.51209 Ang H6.CE1 and V10.CG2 other bump:2.06114 Ang H6.NE2 and V10.CG2 other bump:2.19876 Ang H6.ND1 and V10.CG1 other bump:1.8367 Ang H6.CE1 and V10.CG1 other bump:2.76998 Ang H6.NE2 and V10.CG1 other bump:2.42361 Ang H6.CE1 and V10.CB other bump:2.69558 Ang H6.NE2 and V10.CB other bump:3.26449 Ang R4.CA and L7.CD2 Number of specific fragments= 1 total=1681 # 1i3dA.70.72 read from T0187.t2k.frag # found chain 1i3dA in template set T0187 70 :T 1i3dA 73 :D Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 73 :K 1i3dA 76 :K Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 76 :SQV 1i3dA 79 :DDL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 1.41013 Ang Q3.CA and Q3.C Number of specific fragments= 3 total=1684 Number of alignments=310 # 1c0nA.70.70 read from T0187.t2k.frag # found chain 1c0nA in template set T0187 70 :TVRKHLSQV 1c0nA 71 :NVRKRASLF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1685 # 1jiwP.70.70 read from T0187.t2k.frag # found chain 1jiwP in template set T0187 70 :TVRKHLSQV 1jiwP 71 :TPWKYVSDI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90972 Ang V3.CG1 and V10.CG2 other bump:2.58164 Ang L7.CD2 and V10.CG1 other bump:2.65978 Ang V3.CG1 and V10.CB Number of specific fragments= 1 total=1686 # 1ithA.70.70 read from T0187.t2k.frag # found chain 1ithA in template set T0187 70 :TVRKHLSQV 1ithA 71 :YLDKVVDAL 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 # 1abv.70.74 read from T0187.t2k.frag # found chain 1abv in template set T0187 70 :TVRKHLSQV 1abv 75 :LIRVMAENG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1688 # 1lla.71.76 read from T0187.t2k.frag # found chain 1lla in template set T0187 71 :VRKHLSQVK 1lla 77 :AKEARTFVN Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60228 Ang H5.CD2 and V9.CG2 other bump:2.51209 Ang H5.CE1 and V9.CG2 other bump:2.06114 Ang H5.NE2 and V9.CG2 other bump:2.19876 Ang H5.ND1 and V9.CG1 other bump:1.8367 Ang H5.CE1 and V9.CG1 other bump:2.76998 Ang H5.NE2 and V9.CG1 other bump:2.42361 Ang H5.CE1 and V9.CB other bump:2.69558 Ang H5.NE2 and V9.CB other bump:3.26449 Ang R3.CA and L6.CD2 Number of specific fragments= 1 total=1689 # 1i3dA.71.73 read from T0187.t2k.frag # found chain 1i3dA in template set T0187 73 :K 1i3dA 76 :K Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 76 :SQV 1i3dA 79 :DDL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 1.41013 Ang Q3.CA and Q3.C Number of specific fragments= 2 total=1691 Number of alignments=311 # 1c0nA.71.71 read from T0187.t2k.frag # found chain 1c0nA in template set T0187 71 :VRKHLSQVK 1c0nA 72 :VRKRASLFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1692 # 1ithA.71.71 read from T0187.t2k.frag # found chain 1ithA in template set T0187 71 :VRKHLSQVK 1ithA 72 :LDKVVDALG 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 # 1jiwP.71.71 read from T0187.t2k.frag # found chain 1jiwP in template set T0187 71 :VRKHLSQVK 1jiwP 72 :PWKYVSDIY Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.0688 Ang R3.CG and K10.NZ other bump:1.82636 Ang R3.CD and K10.NZ other bump:2.38582 Ang R3.NE and K10.NZ other bump:1.8395 Ang R3.NH1 and K10.NZ other bump:2.43517 Ang R3.CZ and K10.NZ other bump:2.88366 Ang R3.CG and K10.CE other bump:2.58439 Ang R3.CD and K10.CE other bump:2.21588 Ang R3.NE and K10.CE other bump:0.968976 Ang R3.NH1 and K10.CE other bump:1.57321 Ang R3.CZ and K10.CE other bump:2.58897 Ang R3.NH2 and K10.CE other bump:2.86643 Ang R3.CG and K10.CD other bump:2.39169 Ang R3.CD and K10.CD other bump:1.32314 Ang R3.NE and K10.CD other bump:1.88212 Ang R3.NH1 and K10.CD other bump:1.03614 Ang R3.CZ and K10.CD other bump:1.79262 Ang R3.NH2 and K10.CD other bump:2.66627 Ang R3.NE and K10.CG other bump:1.58128 Ang R3.NH2 and K10.CG other bump:2.36203 Ang R3.NH2 and K10.CB other bump:2.90972 Ang V2.CG1 and V9.CG2 other bump:2.58164 Ang L6.CD2 and V9.CG1 other bump:2.65979 Ang V2.CG1 and V9.CB Number of specific fragments= 1 total=1694 # 1kz7A.71.76 read from T0187.t2k.frag # adding 1kz7A to template set 1kz7A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1kz7A in template set T0187 71 :VRKHLSQVK 1kz7A 698 :LRELESCID Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.99584 Ang R3.NH2 and K4.CE Number of specific fragments= 1 total=1695 # 1lla.72.77 read from T0187.t2k.frag # found chain 1lla in template set T0187 72 :RKHLSQVKG 1lla 78 :KEARTFVNE Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60228 Ang H4.CD2 and V8.CG2 other bump:2.06114 Ang H4.NE2 and V8.CG2 other bump:2.51209 Ang H4.CE1 and V8.CG2 other bump:2.76998 Ang H4.NE2 and V8.CG1 other bump:2.19876 Ang H4.ND1 and V8.CG1 other bump:1.8367 Ang H4.CE1 and V8.CG1 other bump:2.69558 Ang H4.NE2 and V8.CB other bump:2.4236 Ang H4.CE1 and V8.CB other bump:3.26449 Ang R2.CA and L5.CD2 Number of specific fragments= 1 total=1696 # 1i3dA.72.74 read from T0187.t2k.frag # found chain 1i3dA in template set T0187 73 :K 1i3dA 76 :K Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 76 :SQV 1i3dA 79 :DDL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 1.41013 Ang Q3.CA and Q3.C Number of specific fragments= 2 total=1698 Number of alignments=312 # 1c0nA.72.72 read from T0187.t2k.frag # found chain 1c0nA in template set T0187 72 :RKHLSQVKG 1c0nA 73 :RKRASLFIN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1699 # 1jiwP.72.72 read from T0187.t2k.frag # found chain 1jiwP in template set T0187 72 :RKHLSQVKG 1jiwP 73 :WKYVSDIYS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58164 Ang L5.CD2 and V8.CG1 Number of specific fragments= 1 total=1700 # 1ithA.72.72 read from T0187.t2k.frag # found chain 1ithA in template set T0187 72 :RKHLSQVKG 1ithA 73 :DKVVDALGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1701 # 1kz7A.72.77 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 72 :RKHLSQVKG 1kz7A 699 :RELESCIDC Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.99584 Ang R2.NH2 and K3.CE Number of specific fragments= 1 total=1702 # 1lla.73.78 read from T0187.t2k.frag # found chain 1lla in template set T0187 73 :KHLSQVKGG 1lla 79 :EARTFVNEG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60227 Ang H3.CD2 and V7.CG2 other bump:2.06113 Ang H3.NE2 and V7.CG2 other bump:2.51209 Ang H3.CE1 and V7.CG2 other bump:2.76998 Ang H3.NE2 and V7.CG1 other bump:2.19876 Ang H3.ND1 and V7.CG1 other bump:1.83669 Ang H3.CE1 and V7.CG1 other bump:2.69558 Ang H3.NE2 and V7.CB other bump:2.4236 Ang H3.CE1 and V7.CB Number of specific fragments= 1 total=1703 # 1i3dA.73.75 read from T0187.t2k.frag # found chain 1i3dA in template set T0187 73 :K 1i3dA 76 :K Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 76 :SQV 1i3dA 79 :DDL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 1.41013 Ang Q3.CA and Q3.C T0187 81 :G 1i3dA 84 :T Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 3 total=1706 Number of alignments=313 # 1fftC.73.75 read from T0187.t2k.frag # adding 1fftC to template set 1fftC:# found chain 1fftC in template set T0187 73 :KHLSQVKGG 1fftC 76 :LLFSSITYG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.155 Ang H3.N and Q6.CG other bump:3.15764 Ang H3.CA and Q6.CG other bump:2.31198 Ang K2.O and Q6.CG other bump:2.79067 Ang K2.C and Q6.CG other bump:3.06324 Ang H3.CA and Q6.CB Number of specific fragments= 1 total=1707 # 1ithA.73.73 read from T0187.t2k.frag # found chain 1ithA in template set T0187 73 :KHLSQVKGG 1ithA 74 :KVVDALGGN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1708 # 1kz7A.73.78 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 73 :KHLSQVKGG 1kz7A 700 :ELESCIDCP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1709 # 1jiwP.73.73 read from T0187.t2k.frag # found chain 1jiwP in template set T0187 73 :KHLSQVKGG 1jiwP 74 :KYVSDIYSL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58164 Ang L4.CD2 and V7.CG1 Number of specific fragments= 1 total=1710 # 1lla.74.79 read from T0187.t2k.frag # found chain 1lla in template set T0187 74 :HLSQVKGGR 1lla 80 :ARTFVNEGL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.83312 Ang K7.NZ and R10.NH2 other bump:2.71789 Ang K7.NZ and R10.CZ other bump:2.60228 Ang H2.CD2 and V6.CG2 other bump:2.51209 Ang H2.CE1 and V6.CG2 other bump:2.06114 Ang H2.NE2 and V6.CG2 other bump:2.19876 Ang H2.ND1 and V6.CG1 other bump:1.8367 Ang H2.CE1 and V6.CG1 other bump:2.76998 Ang H2.NE2 and V6.CG1 other bump:2.42361 Ang H2.CE1 and V6.CB other bump:2.69558 Ang H2.NE2 and V6.CB Number of specific fragments= 1 total=1711 # 1fftC.74.76 read from T0187.t2k.frag # found chain 1fftC in template set T0187 74 :HLSQVKGGR 1fftC 77 :LFSSITYGM Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79067 Ang G1.C and Q5.CG other bump:3.155 Ang H2.N and Q5.CG other bump:3.15764 Ang H2.CA and Q5.CG other bump:2.31198 Ang G1.O and Q5.CG other bump:3.06324 Ang H2.CA and Q5.CB Number of specific fragments= 1 total=1712 # 2pia.74.74 read from T0187.t2k.frag # found chain 2pia in training set T0187 74 :HLSQVKGGR 2pia 75 :RDSNGRGGS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86883 Ang H2.CE1 and G11.CA other bump:3.00868 Ang H2.ND1 and G11.CA other bump:2.29738 Ang L3.CD2 and R10.NH2 other bump:2.43008 Ang L3.O and V6.CG2 other bump:2.83755 Ang L3.CA and V6.CG1 other bump:1.84724 Ang L3.CB and V6.CG1 other bump:3.07831 Ang L3.C and V6.CG1 other bump:2.06517 Ang L3.CG and V6.CG1 other bump:2.27043 Ang L3.CD2 and V6.CG1 Number of specific fragments= 1 total=1713 # 1kz7A.74.79 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 74 :HLSQVKGGR 1kz7A 701 :LESCIDCPE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1714 # 1i3dA.74.76 read from T0187.t2k.frag # found chain 1i3dA in template set T0187 76 :SQV 1i3dA 79 :DDL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 1.41013 Ang Q3.CA and Q3.C T0187 81 :GR 1i3dA 84 :TF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 2 total=1716 Number of alignments=314 # 1ithA.74.74 read from T0187.t2k.frag # found chain 1ithA in template set T0187 74 :HLSQVKGGR 1ithA 75 :VVDALGGNA Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.56914 Ang V6.CG2 and R10.NH2 other bump:2.51247 Ang V6.CB and R10.NH2 other bump:1.46034 Ang L3.O and R10.NH2 other bump:2.50378 Ang L3.CA and R10.NH2 other bump:2.22316 Ang L3.C and R10.NH2 other bump:2.87956 Ang V6.N and R10.NH2 other bump:2.29408 Ang V6.CG2 and R10.NH1 other bump:2.80996 Ang L3.CD2 and R10.NH1 other bump:2.59736 Ang L3.N and R10.NH1 other bump:2.15028 Ang L3.CA and R10.NH1 other bump:2.72482 Ang H2.C and R10.NH1 other bump:1.19075 Ang V6.CG2 and R10.CZ other bump:2.53434 Ang V6.CB and R10.CZ other bump:3.04592 Ang V6.CA and R10.CZ other bump:2.55759 Ang L3.O and R10.CZ other bump:2.61478 Ang L3.CA and R10.CZ other bump:2.31399 Ang H2.O and R10.CZ other bump:3.1437 Ang H2.C and R10.CZ other bump:2.91372 Ang L3.C and R10.CZ other bump:1.42503 Ang V6.CG2 and R10.NE other bump:2.09442 Ang V6.CB and R10.NE other bump:3.01938 Ang V6.CG1 and R10.NE other bump:2.13409 Ang V6.CA and R10.NE other bump:2.54632 Ang V6.N and R10.NE other bump:2.67172 Ang V6.CG2 and R10.CD other bump:3.05224 Ang V6.CA and R10.CD Number of specific fragments= 1 total=1717 # 1lla.75.80 read from T0187.t2k.frag # found chain 1lla in template set T0187 75 :LSQVKGGRF 1lla 81 :RTFVNEGLF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81966 Ang K6.N and R9.NH2 Number of specific fragments= 1 total=1718 # 2pia.75.75 read from T0187.t2k.frag # found chain 2pia in training set T0187 75 :LSQVKGGRF 2pia 76 :DSNGRGGSI Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60839 Ang S3.O and F10.CZ other bump:1.89798 Ang L2.O and F10.CZ other bump:2.32716 Ang S3.C and F10.CZ other bump:2.49397 Ang L2.C and F10.CZ other bump:2.53694 Ang S3.N and F10.CZ other bump:1.99762 Ang S3.CA and F10.CZ other bump:1.93581 Ang L2.O and F10.CE2 other bump:2.15028 Ang L2.C and F10.CE2 other bump:2.28182 Ang S3.N and F10.CE2 other bump:2.35458 Ang S3.CA and F10.CE2 other bump:3.17673 Ang S3.C and F10.CE1 other bump:2.29736 Ang L2.CD2 and R9.NH2 other bump:2.43008 Ang L2.O and V5.CG2 other bump:2.83755 Ang L2.CA and V5.CG1 other bump:3.07831 Ang L2.C and V5.CG1 other bump:1.84725 Ang L2.CB and V5.CG1 other bump:2.06517 Ang L2.CG and V5.CG1 other bump:2.27043 Ang L2.CD2 and V5.CG1 Number of specific fragments= 1 total=1719 # 1fftC.75.77 read from T0187.t2k.frag # found chain 1fftC in template set T0187 75 :LSQVKGGRF 1fftC 78 :FSSITYGMA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1720 # 1kz7A.75.80 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 75 :LSQVKGGRF 1kz7A 702 :ESCIDCPEL 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 # 1fzyA.75.78 read from T0187.t2k.frag # adding 1fzyA to template set 1fzyA:# found chain 1fzyA in template set T0187 75 :LSQVKGGRF 1fzyA 80 :ISSVTGAIC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1722 # 1i3dA.75.77 read from T0187.t2k.frag # found chain 1i3dA in template set T0187 76 :SQV 1i3dA 79 :DDL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 1.41013 Ang Q3.CA and Q3.C T0187 81 :GRF 1i3dA 84 :TFA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 2 total=1724 Number of alignments=315 # 1lla.76.81 read from T0187.t2k.frag # found chain 1lla in template set T0187 76 :SQVKGGRFA 1lla 82 :TFVNEGLFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81966 Ang K5.N and R8.NH2 Number of specific fragments= 1 total=1725 # 2pia.76.76 read from T0187.t2k.frag # found chain 2pia in training set T0187 76 :SQVKGGRFA 2pia 77 :SNGRGGSIS Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60838 Ang S2.O and F9.CZ other bump:1.89797 Ang G1.O and F9.CZ other bump:2.49397 Ang G1.C and F9.CZ other bump:2.53694 Ang S2.N and F9.CZ other bump:1.99762 Ang S2.CA and F9.CZ other bump:2.32716 Ang S2.C and F9.CZ other bump:1.93581 Ang G1.O and F9.CE2 other bump:2.15028 Ang G1.C and F9.CE2 other bump:2.28182 Ang S2.N and F9.CE2 other bump:2.35458 Ang S2.CA and F9.CE2 other bump:3.17673 Ang S2.C and F9.CE1 other bump:2.43008 Ang G1.O and V4.CG2 other bump:3.07831 Ang G1.C and V4.CG1 Number of specific fragments= 1 total=1726 # 1fftC.76.78 read from T0187.t2k.frag # found chain 1fftC in template set T0187 76 :SQVKGGRFA 1fftC 79 :SSITYGMAA 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 # 1kz7A.76.81 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 76 :SQVKGGRFA 1kz7A 703 :SCIDCPELV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1728 # 1ftkA.76.79 read from T0187.t2k.frag # adding 1ftkA to template set 1ftkA:# found chain 1ftkA in template set T0187 76 :SQVKGGRFA 1ftkA 80 :TKIWNGMVG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.18648 Ang G6.C and A10.CB other bump:2.28917 Ang K5.O and A10.CB other bump:2.96075 Ang K5.C and A10.CB other bump:2.89085 Ang K5.CE and F9.CB Number of specific fragments= 1 total=1729 # 1gr2A.76.79 read from T0187.t2k.frag # adding 1gr2A to template set 1gr2A:# found chain 1gr2A in template set T0187 76 :SQVKGGRFA 1gr2A 80 :TKIWNGMVG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.24626 Ang G6.C and A10.CB other bump:2.29701 Ang K5.O and A10.CB other bump:3.02889 Ang K5.C and A10.CB other bump:2.96444 Ang K5.CE and F9.CZ other bump:2.64068 Ang K5.NZ and F9.CZ other bump:3.07469 Ang K5.CG and F9.CE2 other bump:1.64052 Ang K5.CD and F9.CE2 other bump:2.33107 Ang K5.CE and F9.CE2 other bump:2.48363 Ang K5.NZ and F9.CE2 other bump:2.26739 Ang K5.CD and F9.CD2 Number of specific fragments= 1 total=1730 # 1lla.77.82 read from T0187.t2k.frag # found chain 1lla in template set T0187 77 :QVKGGRFAE 1lla 83 :FVNEGLFAF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81966 Ang K4.N and R7.NH2 Number of specific fragments= 1 total=1731 # 2pia.77.77 read from T0187.t2k.frag # found chain 2pia in training set T0187 77 :QVKGGRFAE 2pia 78 :NGRGGSISF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60838 Ang G1.O and F8.CZ other bump:2.32716 Ang G1.C and F8.CZ other bump:3.17673 Ang G1.C and F8.CE1 Number of specific fragments= 1 total=1732 # 1fftC.77.79 read from T0187.t2k.frag # found chain 1fftC in template set T0187 77 :QVKGGRFAE 1fftC 80 :SITYGMAAI Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.95877 Ang R7.CA and E10.OE1 other bump:2.64844 Ang R7.CA and E10.CD other bump:2.56527 Ang R7.N and E10.CD other bump:2.78181 Ang G6.C and E10.CD other bump:3.16906 Ang R7.CA and E10.CG other bump:3.05756 Ang R7.N and E10.CG other bump:2.27099 Ang G6.O and E10.CG other bump:2.64838 Ang G6.C and E10.CG Number of specific fragments= 1 total=1733 # 1ftkA.77.80 read from T0187.t2k.frag # found chain 1ftkA in template set T0187 77 :QVKGGRFAE 1ftkA 81 :KIWNGMVGE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.18648 Ang G5.C and A9.CB other bump:2.28917 Ang K4.O and A9.CB other bump:2.96075 Ang K4.C and A9.CB other bump:2.89085 Ang K4.CE and F8.CB Number of specific fragments= 1 total=1734 # 1kz7A.77.82 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 77 :QVKGGRFAE 1kz7A 704 :CIDCPELVG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6989 Ang Q2.OE1 and A9.CB other bump:3.2692 Ang Q2.CD and A9.CA other bump:2.43018 Ang Q2.OE1 and A9.CA Number of specific fragments= 1 total=1735 # 1gr2A.77.80 read from T0187.t2k.frag # found chain 1gr2A in template set T0187 77 :QVKGGRFAE 1gr2A 81 :KIWNGMVGE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.24625 Ang G5.C and A9.CB other bump:3.02889 Ang K4.C and A9.CB other bump:2.29701 Ang K4.O and A9.CB other bump:2.96444 Ang K4.CE and F8.CZ other bump:2.64068 Ang K4.NZ and F8.CZ other bump:3.07469 Ang K4.CG and F8.CE2 other bump:1.64052 Ang K4.CD and F8.CE2 other bump:2.33107 Ang K4.CE and F8.CE2 other bump:2.48363 Ang K4.NZ and F8.CE2 other bump:2.26739 Ang K4.CD and F8.CD2 Number of specific fragments= 1 total=1736 # 1lla.78.83 read from T0187.t2k.frag # found chain 1lla in template set T0187 78 :VKGGRFAER 1lla 84 :VNEGLFAFA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64311 Ang R6.CG and R10.NH2 other bump:2.39528 Ang R6.NE and R10.NH2 other bump:2.36959 Ang R6.CG and R10.NH1 other bump:2.27859 Ang R6.CD and R10.NH1 other bump:2.6271 Ang R6.CG and R10.CZ other bump:2.81966 Ang K3.N and R6.NH2 Number of specific fragments= 1 total=1737 # 2pia.78.78 read from T0187.t2k.frag # found chain 2pia in training set T0187 78 :VKGGRFAER 2pia 79 :GRGGSISFI 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 # 1cx8B.78.82 read from T0187.t2k.frag # adding 1cx8B to template set 1cx8B:# found chain 1cx8B in template set T0187 78 :VKGGRFAER 1cx8B 204 :DKNGRLVYL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26511 Ang G4.O and G5.O other bump:2.55249 Ang V2.CG2 and G4.C other bump:1.60047 Ang V2.CG2 and G4.O other bump:2.98599 Ang V2.CG2 and G4.CA other bump:2.60782 Ang V2.CG2 and G4.N Number of specific fragments= 1 total=1739 # 1ftkA.78.81 read from T0187.t2k.frag # found chain 1ftkA in template set T0187 78 :VKGGRFAER 1ftkA 82 :IWNGMVGEL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.18648 Ang G4.C and A8.CB other bump:2.28917 Ang K3.O and A8.CB other bump:2.96075 Ang K3.C and A8.CB other bump:2.89085 Ang K3.CE and F7.CB Number of specific fragments= 1 total=1740 # 1cx8A.78.82 read from T0187.t2k.frag # adding 1cx8A to template set 1cx8A:# found chain 1cx8A in template set T0187 78 :VKGGRFAER 1cx8A 204 :DKNGRLVYL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5324 Ang F7.CD2 and A8.CB neighbor-bump: 2.79088 Ang F7.CE2 and A8.CB neighbor-bump: 2.89166 Ang F7.CD2 and A8.CA neighbor-bump: 2.36711 Ang F7.CG and A8.N neighbor-bump: 2.49927 Ang F7.CD2 and A8.N other bump:2.34438 Ang V2.CG2 and G4.C other bump:1.68445 Ang V2.CG2 and G4.O other bump:3.07107 Ang V2.CG2 and G4.CA other bump:2.69017 Ang V2.CG2 and G4.N Number of specific fragments= 1 total=1741 # 1fftC.78.80 read from T0187.t2k.frag # found chain 1fftC in template set T0187 78 :VKGGRFAER 1fftC 81 :ITYGMAAIA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.32717 Ang E9.O and R10.CG other bump:1.95873 Ang R6.CA and E9.OE1 other bump:2.78178 Ang G5.C and E9.CD other bump:2.56524 Ang R6.N and E9.CD other bump:2.64839 Ang R6.CA and E9.CD other bump:2.27095 Ang G5.O and E9.CG other bump:2.64836 Ang G5.C and E9.CG other bump:3.05754 Ang R6.N and E9.CG other bump:3.16903 Ang R6.CA and E9.CG Number of specific fragments= 1 total=1742 # 2pia.79.79 read from T0187.t2k.frag # found chain 2pia in training set T0187 79 :KGGRFAERV 2pia 80 :RGGSISFID 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 # 1lla.79.84 read from T0187.t2k.frag # found chain 1lla in template set T0187 79 :KGGRFAERV 1lla 85 :NEGLFAFAA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.07293 Ang F6.CE1 and V10.CG2 other bump:2.9087 Ang F6.CZ and V10.CG2 other bump:2.64311 Ang R5.CG and R9.NH2 other bump:2.39527 Ang R5.NE and R9.NH2 other bump:2.36959 Ang R5.CG and R9.NH1 other bump:2.27859 Ang R5.CD and R9.NH1 other bump:2.62709 Ang R5.CG and R9.CZ other bump:2.81966 Ang K2.N and R5.NH2 Number of specific fragments= 1 total=1744 # 1cx8B.79.83 read from T0187.t2k.frag # found chain 1cx8B in template set T0187 79 :KGGRFAERV 1cx8B 205 :KNGRLVYLV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26511 Ang G3.O and G4.O Number of specific fragments= 1 total=1745 # 1cx8A.79.83 read from T0187.t2k.frag # found chain 1cx8A in template set T0187 79 :KGGRFAERV 1cx8A 205 :KNGRLVYLV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3899 Ang R9.CA and R9.CB neighbor-bump: 2.5324 Ang F6.CD2 and A7.CB neighbor-bump: 2.79088 Ang F6.CE2 and A7.CB neighbor-bump: 2.89166 Ang F6.CD2 and A7.CA neighbor-bump: 2.36711 Ang F6.CG and A7.N neighbor-bump: 2.49927 Ang F6.CD2 and A7.N Number of specific fragments= 1 total=1746 # 1tfb.79.81 read from T0187.t2k.frag # adding 1tfb to template set 1tfb:# found chain 1tfb in template set T0187 79 :KGGRFAERV 1tfb 190 :EIGRCFKLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1747 # 1ftkA.79.82 read from T0187.t2k.frag # found chain 1ftkA in template set T0187 79 :KGGRFAERV 1ftkA 83 :WNGMVGELV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.18648 Ang G3.C and A7.CB other bump:2.28917 Ang K2.O and A7.CB other bump:2.96075 Ang K2.C and A7.CB Number of specific fragments= 1 total=1748 # 1tfb.80.82 read from T0187.t2k.frag # found chain 1tfb in template set T0187 80 :GGRFAERVF 1tfb 191 :IGRCFKLIL 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 # 1cx8B.80.84 read from T0187.t2k.frag # found chain 1cx8B in template set T0187 80 :GGRFAERVF 1cx8B 206 :NGRLVYLVE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26511 Ang G2.O and G3.O Number of specific fragments= 1 total=1750 # 1cx8A.80.84 read from T0187.t2k.frag # found chain 1cx8A in template set T0187 80 :GGRFAERVF 1cx8A 206 :NGRLVYLVE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3899 Ang R8.CA and R8.CB neighbor-bump: 2.5324 Ang F5.CD2 and A6.CB neighbor-bump: 2.79088 Ang F5.CE2 and A6.CB neighbor-bump: 2.89166 Ang F5.CD2 and A6.CA neighbor-bump: 2.36711 Ang F5.CG and A6.N neighbor-bump: 2.49927 Ang F5.CD2 and A6.N Number of specific fragments= 1 total=1751 # 2pia.80.80 read from T0187.t2k.frag # found chain 2pia in training set T0187 80 :GGRFAERVF 2pia 81 :GGSISFIDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1752 # 1lla.80.85 read from T0187.t2k.frag # found chain 1lla in template set T0187 80 :GGRFAERVF 1lla 86 :EGLFAFAAE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.07294 Ang F5.CE1 and V9.CG2 other bump:2.9087 Ang F5.CZ and V9.CG2 other bump:2.64311 Ang R4.CG and R8.NH2 other bump:2.39527 Ang R4.NE and R8.NH2 other bump:2.36959 Ang R4.CG and R8.NH1 other bump:2.27859 Ang R4.CD and R8.NH1 other bump:2.62709 Ang R4.CG and R8.CZ Number of specific fragments= 1 total=1753 # 1ftkA.80.83 read from T0187.t2k.frag # found chain 1ftkA in template set T0187 80 :GGRFAERVF 1ftkA 84 :NGMVGELVY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.18648 Ang G2.C and A6.CB other bump:2.28917 Ang G1.O and A6.CB other bump:2.96075 Ang G1.C and A6.CB Number of specific fragments= 1 total=1754 # 1tfb.81.83 read from T0187.t2k.frag # found chain 1tfb in template set T0187 81 :GRFAERVFP 1tfb 192 :GRCFKLILK 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 # 1ftkA.81.84 read from T0187.t2k.frag # found chain 1ftkA in template set T0187 81 :GRFAERVFP 1ftkA 85 :GMVGELVYG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11893 Ang F9.O and P10.CD neighbor-bump: 1.61859 Ang F9.C and P10.CD self-bump: 2.15873 Ang P10.CA and P10.CD other bump:3.18648 Ang G1.C and A5.CB Number of specific fragments= 1 total=1756 # 1pvuA.81.84 read from T0187.t2k.frag # adding 1pvuA to template set 1pvuA:# found chain 1pvuA in template set T0187 81 :GRFAERVFP 1pvuA 88 :PVIIAKYRQ Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.73476 Ang G2.O and E6.OE2 other bump:2.49101 Ang G2.C and E6.OE2 other bump:1.09245 Ang G2.O and E6.OE1 other bump:1.97093 Ang G2.C and E6.OE1 other bump:2.18546 Ang R3.CA and E6.OE1 other bump:2.52811 Ang R3.C and E6.OE1 other bump:1.46155 Ang G2.O and E6.CD other bump:2.54451 Ang G2.C and E6.CD other bump:3.24616 Ang R3.CA and E6.CD Number of specific fragments= 1 total=1757 # 1gr2A.81.84 read from T0187.t2k.frag # found chain 1gr2A in template set T0187 81 :GRFAERVFP 1gr2A 85 :GMVGELVYG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.35233 Ang F9.O and P10.CD neighbor-bump: 1.79616 Ang F9.C and P10.CD self-bump: 2.13549 Ang P10.CA and P10.CD self-bump: 2.2164 Ang P10.N and P10.CG other bump:3.24625 Ang G1.C and A5.CB Number of specific fragments= 1 total=1758 # 1lla.81.86 read from T0187.t2k.frag # found chain 1lla in template set T0187 81 :GRFAERVFP 1lla 87 :GLFAFAAEV Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90634 Ang E6.C and P10.CD other bump:3.17283 Ang R7.C and P10.CD other bump:1.70227 Ang E6.O and P10.CD other bump:2.32421 Ang E6.O and P10.CG other bump:3.07294 Ang F4.CE1 and V8.CG2 other bump:2.9087 Ang F4.CZ and V8.CG2 other bump:2.64311 Ang R3.CG and R7.NH2 other bump:2.39527 Ang R3.NE and R7.NH2 other bump:2.36959 Ang R3.CG and R7.NH1 other bump:2.27859 Ang R3.CD and R7.NH1 other bump:2.62709 Ang R3.CG and R7.CZ Number of specific fragments= 1 total=1759 # 1cx8B.81.85 read from T0187.t2k.frag # found chain 1cx8B in template set T0187 81 :GRFAERVFP 1cx8B 207 :GRLVYLVEN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3721 Ang P10.CA and P10.CB neighbor-bump: 2.78471 Ang V8.CG1 and F9.CD2 neighbor-bump: 2.26511 Ang G1.O and G2.O Number of specific fragments= 1 total=1760 # 1pvuA.82.85 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 82 :RFAERVFPA 1pvuA 89 :VIIAKYRQV Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49101 Ang G1.C and E5.OE2 other bump:1.73476 Ang G1.O and E5.OE2 other bump:1.97093 Ang G1.C and E5.OE1 other bump:1.09245 Ang G1.O and E5.OE1 other bump:2.18546 Ang R2.CA and E5.OE1 other bump:2.52811 Ang R2.C and E5.OE1 other bump:2.54451 Ang G1.C and E5.CD other bump:1.46155 Ang G1.O and E5.CD other bump:3.24616 Ang R2.CA and E5.CD Number of specific fragments= 1 total=1761 # 1ftkA.82.85 read from T0187.t2k.frag # found chain 1ftkA in template set T0187 82 :RFAERVFPA 1ftkA 86 :MVGELVYGK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11893 Ang F8.O and P9.CD neighbor-bump: 1.61859 Ang F8.C and P9.CD self-bump: 2.15873 Ang P9.CA and P9.CD Number of specific fragments= 1 total=1762 # 1gr2A.82.85 read from T0187.t2k.frag # found chain 1gr2A in template set T0187 82 :RFAERVFPA 1gr2A 86 :MVGELVYGK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.35233 Ang F8.O and P9.CD neighbor-bump: 1.79616 Ang F8.C and P9.CD self-bump: 2.13549 Ang P9.CA and P9.CD self-bump: 2.2164 Ang P9.N and P9.CG Number of specific fragments= 1 total=1763 # 1tfb.82.84 read from T0187.t2k.frag # found chain 1tfb in template set T0187 82 :RFAERVFPA 1tfb 193 :RCFKLILKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1764 # 1poiB.82.88 read from T0187.t2k.frag # adding 1poiB to template set 1poiB:# found chain 1poiB in template set T0187 82 :RFAERVFPA 1poiB 91 :EINEYLHKA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75434 Ang A4.CB and F8.CE1 other bump:2.3247 Ang A4.O and F8.CD1 Number of specific fragments= 1 total=1765 # 1gt91.82.83 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 82 :RFAERVFPA 1gt91 84 :EVAGALAPG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56499 Ang G1.O and E5.CB Number of specific fragments= 1 total=1766 # 1pvuA.83.86 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 83 :FAERVFPAK 1pvuA 90 :IIAKYRQVP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52811 Ang G1.C and E4.OE1 Number of specific fragments= 1 total=1767 # 1gt91.83.84 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 83 :FAERVFPAK 1gt91 85 :VAGALAPGA 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 # 1poiB.83.89 read from T0187.t2k.frag # found chain 1poiB in template set T0187 83 :FAERVFPAK 1poiB 92 :INEYLHKAN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75434 Ang A3.CB and F7.CE1 other bump:2.3247 Ang A3.O and F7.CD1 Number of specific fragments= 1 total=1769 # 1jmrA.83.87 read from T0187.t2k.frag # adding 1jmrA to template set 1jmrA:# found chain 1jmrA in template set T0187 83 :FAERVFPAK 1jmrA 85 :LVDIMKRTG 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 # 1ftkA.83.86 read from T0187.t2k.frag # found chain 1ftkA in template set T0187 83 :FAERVFPAK 1ftkA 87 :VGELVYGKA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11893 Ang F7.O and P8.CD neighbor-bump: 1.61859 Ang F7.C and P8.CD self-bump: 2.15873 Ang P8.CA and P8.CD Number of specific fragments= 1 total=1771 # 1gr2A.83.86 read from T0187.t2k.frag # found chain 1gr2A in template set T0187 83 :FAERVFPAK 1gr2A 87 :VGELVYGKA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.35233 Ang F7.O and P8.CD neighbor-bump: 1.79616 Ang F7.C and P8.CD self-bump: 2.13549 Ang P8.CA and P8.CD self-bump: 2.2164 Ang P8.N and P8.CG Number of specific fragments= 1 total=1772 # 1poiB.84.90 read from T0187.t2k.frag # found chain 1poiB in template set T0187 84 :AERVFPAKV 1poiB 93 :NEYLHKANR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75434 Ang A2.CB and F6.CE1 other bump:2.3247 Ang A2.O and F6.CD1 Number of specific fragments= 1 total=1773 # 1gt91.84.85 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 84 :AERVFPAKV 1gt91 86 :AGALAPGAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1774 # 1pvuA.84.87 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 84 :AERVFPAKV 1pvuA 91 :IAKYRQVPW 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 # 1jmrA.84.89 read from T0187.t2k.frag # found chain 1jmrA in template set T0187 84 :AERVFPAKV 1jmrA 87 :DIMKRTGET Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.69576 Ang P7.C and A8.CB self-bump: 1.35765 Ang P7.N and P7.CD neighbor-bump: 2.24381 Ang F6.N and P7.CD neighbor-bump: 2.08817 Ang F6.CA and P7.CD neighbor-bump: 2.69505 Ang F6.CB and P7.CD neighbor-bump: 2.45078 Ang F6.O and P7.CD neighbor-bump: 1.51814 Ang F6.C and P7.CD other bump:2.51252 Ang E3.O and P7.CD neighbor-bump: 2.44803 Ang F6.C and P7.CG other bump:2.51441 Ang E3.O and P7.CG Number of specific fragments= 1 total=1776 # 1jmrA.84.88 read from T0187.t2k.frag # found chain 1jmrA in template set T0187 84 :AERVFPAKV 1jmrA 86 :VDIMKRTGE 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 # 1ftkA.84.87 read from T0187.t2k.frag # found chain 1ftkA in template set T0187 84 :AERVFPAKV 1ftkA 88 :GELVYGKAD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11893 Ang F6.O and P7.CD neighbor-bump: 1.61859 Ang F6.C and P7.CD self-bump: 2.15873 Ang P7.CA and P7.CD Number of specific fragments= 1 total=1778 # 1gt91.85.86 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 85 :ERVFPAKVV 1gt91 87 :GALAPGAKI 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 # 1poiB.85.91 read from T0187.t2k.frag # found chain 1poiB in template set T0187 85 :ERVFPAKVV 1poiB 94 :EYLHKANRL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.3247 Ang G1.O and F5.CD1 Number of specific fragments= 1 total=1780 # 1pvuA.85.88 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 85 :ERVFPAKVV 1pvuA 92 :AKYRQVPWI 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 # 1poxA.85.88 read from T0187.t2k.frag # adding 1poxA to template set 1poxA:# found chain 1poxA in template set T0187 85 :ERVFPAKVV 1poxA 97 :AREDHVPVL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8739 Ang E2.CG and V9.CG2 neighbor-bump: 1.8429 Ang F5.C and P6.CD self-bump: 2.23493 Ang P6.CA and P6.CD Number of specific fragments= 1 total=1782 # 1jmrA.85.90 read from T0187.t2k.frag # found chain 1jmrA in template set T0187 85 :ERVFPAKVV 1jmrA 88 :IMKRTGETV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.69576 Ang P6.C and A7.CB self-bump: 1.35765 Ang P6.N and P6.CD neighbor-bump: 2.2438 Ang F5.N and P6.CD neighbor-bump: 2.08817 Ang F5.CA and P6.CD neighbor-bump: 2.69506 Ang F5.CB and P6.CD neighbor-bump: 2.45078 Ang F5.O and P6.CD neighbor-bump: 1.51814 Ang F5.C and P6.CD other bump:2.51252 Ang E2.O and P6.CD neighbor-bump: 2.44803 Ang F5.C and P6.CG other bump:2.51441 Ang E2.O and P6.CG Number of specific fragments= 1 total=1783 # 1poiB.85.92 read from T0187.t2k.frag # found chain 1poiB in template set T0187 85 :ERVFPAKVV 1poiB 95 :YLHKANRLI Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.02024 Ang V4.CB and P6.CD other bump:1.95549 Ang G1.O and P6.CD other bump:3.02342 Ang G1.C and P6.CD other bump:3.23624 Ang V4.CA and P6.CD other bump:2.62874 Ang V4.C and P6.CD neighbor-bump: 2.22543 Ang F5.N and P6.CD other bump:2.83048 Ang V4.CB and P6.CG other bump:2.74364 Ang V4.CG1 and P6.CG Number of specific fragments= 1 total=1784 # 1gt91.86.87 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 86 :RVFPAKVVA 1gt91 88 :ALAPGAKIA 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 # 1poiB.86.92 read from T0187.t2k.frag # found chain 1poiB in template set T0187 86 :RVFPAKVVA 1poiB 95 :YLHKANRLI 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 # 1poxA.86.89 read from T0187.t2k.frag # found chain 1poxA in template set T0187 86 :RVFPAKVVA 1poxA 98 :REDHVPVLA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.8429 Ang F4.C and P5.CD self-bump: 2.23493 Ang P5.CA and P5.CD Number of specific fragments= 1 total=1787 # 1pvuA.86.89 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 86 :RVFPAKVVA 1pvuA 93 :KYRQVPWIF 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 # 1gt91.86.88 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 86 :RVFPAKVVA 1gt91 89 :LAPGAKIAV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37504 Ang P5.N and P5.CD neighbor-bump: 2.46834 Ang F4.N and P5.CD other bump:2.89083 Ang G1.C and F4.CZ other bump:1.75241 Ang G1.O and F4.CE2 other bump:2.18848 Ang G1.C and F4.CE2 other bump:2.28478 Ang G1.O and F4.CD2 other bump:2.80955 Ang G1.C and F4.CD2 Number of specific fragments= 1 total=1789 # 1poiB.86.93 read from T0187.t2k.frag # found chain 1poiB in template set T0187 86 :RVFPAKVVA 1poiB 96 :LHKANRLIA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.02023 Ang V3.CB and P5.CD other bump:3.23625 Ang V3.CA and P5.CD other bump:2.62874 Ang V3.C and P5.CD neighbor-bump: 2.22543 Ang F4.N and P5.CD other bump:2.83048 Ang V3.CB and P5.CG other bump:2.74365 Ang V3.CG1 and P5.CG Number of specific fragments= 1 total=1790 # 1gt91.87.88 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 87 :VFPAKVVAL 1gt91 89 :LAPGAKIAV 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 # 1poiB.87.93 read from T0187.t2k.frag # found chain 1poiB in template set T0187 87 :VFPAKVVAL 1poiB 96 :LHKANRLIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1792 # 1poxA.87.90 read from T0187.t2k.frag # found chain 1poxA in template set T0187 87 :VFPAKVVAL 1poxA 99 :EDHVPVLAL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.23493 Ang P4.CA and P4.CD neighbor-bump: 1.8429 Ang F3.C and P4.CD Number of specific fragments= 1 total=1793 # 1thm.87.92 read from T0187.t2k.frag # found chain 1thm in training set T0187 87 :VFPAKVVAL 1thm 93 :APKASILAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1794 # 1gt91.87.89 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 87 :VFPAKVVAL 1gt91 90 :APGAKIAVY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37504 Ang P4.N and P4.CD neighbor-bump: 2.46834 Ang F3.N and P4.CD Number of specific fragments= 1 total=1795 # 1pvuA.87.90 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 87 :VFPAKVVAL 1pvuA 94 :YRQVPWIFA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1796 # 1gt91.88.89 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 88 :FPAKVVALV 1gt91 90 :APGAKIAVY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1797 # 1thm.88.93 read from T0187.t2k.frag # found chain 1thm in training set T0187 88 :FPAKVVALV 1thm 94 :PKASILAVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1798 # 1poxA.88.91 read from T0187.t2k.frag # found chain 1poxA in template set T0187 88 :FPAKVVALV 1poxA 100 :DHVPVLALI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.23493 Ang P3.CA and P3.CD neighbor-bump: 1.8429 Ang F2.C and P3.CD Number of specific fragments= 1 total=1799 # 1gt91.88.90 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 88 :FPAKVVALV 1gt91 91 :PGAKIAVYF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37504 Ang P3.N and P3.CD neighbor-bump: 2.46834 Ang F2.N and P3.CD Number of specific fragments= 1 total=1800 # 1qpbA.88.90 read from T0187.t2k.frag # adding 1qpbA to template set 1qpbA:# found chain 1qpbA in template set T0187 88 :FPAKVVALV 1qpbA 91 :EHVGVLHVV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.80476 Ang F2.C and P3.CD self-bump: 2.22818 Ang P3.CA and P3.CD Number of specific fragments= 1 total=1801 # 1poiB.88.94 read from T0187.t2k.frag # found chain 1poiB in template set T0187 88 :FPAKVVALV 1poiB 97 :HKANRLIAF 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 # 1gt91.89.90 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 89 :PAKVVALVL 1gt91 91 :PGAKIAVYF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1803 # 1thm.89.94 read from T0187.t2k.frag # found chain 1thm in training set T0187 89 :PAKVVALVL 1thm 95 :KASILAVRV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1804 # 1poxA.89.92 read from T0187.t2k.frag # found chain 1poxA in template set T0187 89 :PAKVVALVL 1poxA 101 :HVPVLALIG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.23494 Ang P2.CA and P2.CD neighbor-bump: 1.8429 Ang G1.C and P2.CD Number of specific fragments= 1 total=1805 # 1qpbA.89.91 read from T0187.t2k.frag # found chain 1qpbA in template set T0187 89 :PAKVVALVL 1qpbA 92 :HVGVLHVVG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.80476 Ang G1.C and P2.CD self-bump: 2.22818 Ang P2.CA and P2.CD Number of specific fragments= 1 total=1806 # 1zpdA.89.90 read from T0187.t2k.frag # adding 1zpdA to template set 1zpdA:Skipped atom 3555, because occupancy 0.5 <= existing 0.500001 Skipped atom 3557, because occupancy 0.5 <= existing 0.500001 Skipped atom 3559, because occupancy 0.5 <= existing 0.500001 Skipped atom 3561, because occupancy 0.5 <= existing 0.500001 Skipped atom 4169, because occupancy 0.4 <= existing 0.600001 Skipped atom 4171, because occupancy 0.4 <= existing 0.600001 Skipped atom 4173, because occupancy 0.4 <= existing 0.600001 Skipped atom 4175, because occupancy 0.4 <= existing 0.600001 # found chain 1zpdA in template set T0187 89 :PAKVVALVL 1zpdA 91 :NLPVILISG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.19854 Ang P2.CA and P2.CD neighbor-bump: 2.20592 Ang G1.O and P2.CD neighbor-bump: 1.62439 Ang G1.C and P2.CD Number of specific fragments= 1 total=1807 # 1ea7A.89.95 read from T0187.t2k.frag # adding 1ea7A to template set 1ea7A:Skipped atom 41, because occupancy 0.46 <= existing 0.540001 Skipped atom 278, because occupancy 0.24 <= existing 0.760001 Skipped atom 322, because occupancy 0.35 <= existing 0.650001 Skipped atom 326, because occupancy 0.35 <= existing 0.650001 Skipped atom 328, because occupancy 0.35 <= existing 0.650001 Skipped atom 376, because occupancy 0.43 <= existing 0.570001 Skipped atom 523, because occupancy 0.49 <= existing 0.510001 Skipped atom 525, because occupancy 0.49 <= existing 0.510001 Skipped atom 546, because occupancy 0.5 <= existing 0.500001 Skipped atom 548, because occupancy 0.5 <= existing 0.500001 Skipped atom 550, because occupancy 0.5 <= existing 0.500001 Skipped atom 552, because occupancy 0.5 <= existing 0.500001 Skipped atom 554, because occupancy 0.5 <= existing 0.500001 Skipped atom 556, because occupancy 0.5 <= existing 0.500001 Skipped atom 558, because occupancy 0.5 <= existing 0.500001 Skipped atom 596, because occupancy 0.5 <= existing 0.500001 Skipped atom 701, because occupancy 0.23 <= existing 0.770001 Skipped atom 703, because occupancy 0.23 <= existing 0.770001 Skipped atom 705, because occupancy 0.23 <= existing 0.770001 Skipped atom 707, because occupancy 0.23 <= existing 0.770001 Skipped atom 709, because occupancy 0.23 <= existing 0.770001 Skipped atom 748, because occupancy 0.36 <= existing 0.640001 Skipped atom 927, because occupancy 0.25 <= existing 0.750001 Skipped atom 934, because occupancy 0.38 <= existing 0.620001 Skipped atom 938, because occupancy 0.38 <= existing 0.620001 Skipped atom 940, because occupancy 0.38 <= existing 0.620001 Skipped atom 942, because occupancy 0.38 <= existing 0.620001 Skipped atom 1232, because occupancy 0.44 <= existing 0.560001 Skipped atom 1234, because occupancy 0.44 <= existing 0.560001 Skipped atom 1236, because occupancy 0.44 <= existing 0.560001 Skipped atom 1341, because occupancy 0.23 <= existing 0.770001 Skipped atom 1343, because occupancy 0.23 <= existing 0.770001 Skipped atom 1345, because occupancy 0.23 <= existing 0.770001 Skipped atom 1347, because occupancy 0.23 <= existing 0.770001 Skipped atom 1534, because occupancy 0.42 <= existing 0.580001 Skipped atom 1815, because occupancy 0.44 <= existing 0.560001 Skipped atom 1834, because occupancy 0.46 <= existing 0.540001 Skipped atom 1968, because occupancy 0.49 <= existing 0.510001 Skipped atom 2075, because occupancy 0.41 <= existing 0.590001 Skipped atom 2086, because occupancy 0.44 <= existing 0.560001 Skipped atom 2198, because occupancy 0.49 <= existing 0.510001 Skipped atom 2200, because occupancy 0.49 <= existing 0.510001 Skipped atom 2202, because occupancy 0.49 <= existing 0.510001 Skipped atom 2350, because occupancy 0.49 <= existing 0.510001 Skipped atom 2388, because occupancy 0.47 <= existing 0.530001 Skipped atom 2717, because occupancy 0.46 <= existing 0.540001 Skipped atom 2719, because occupancy 0.46 <= existing 0.540001 Skipped atom 2721, because occupancy 0.46 <= existing 0.540001 Skipped atom 2960, because occupancy 0.32 <= existing 0.680001 Skipped atom 3155, because occupancy 0.46 <= existing 0.540001 Skipped atom 3221, because occupancy 0.49 <= existing 0.510001 Skipped atom 3330, because occupancy 0.49 <= existing 0.510001 Skipped atom 3332, because occupancy 0.49 <= existing 0.510001 Skipped atom 3334, because occupancy 0.49 <= existing 0.510001 Skipped atom 3336, because occupancy 0.49 <= existing 0.510001 Skipped atom 3338, because occupancy 0.49 <= existing 0.510001 Skipped atom 3340, because occupancy 0.49 <= existing 0.510001 Skipped atom 3342, because occupancy 0.49 <= existing 0.510001 Skipped atom 3344, because occupancy 0.49 <= existing 0.510001 Skipped atom 3351, because occupancy 0.49 <= existing 0.510001 Skipped atom 3353, because occupancy 0.49 <= existing 0.510001 Skipped atom 3355, because occupancy 0.49 <= existing 0.510001 Skipped atom 3357, because occupancy 0.49 <= existing 0.510001 Skipped atom 3363, because occupancy 0.49 <= existing 0.510001 Skipped atom 3569, because occupancy 0.49 <= existing 0.510001 Skipped atom 3702, because occupancy 0.48 <= existing 0.520001 Skipped atom 3704, because occupancy 0.48 <= existing 0.520001 Skipped atom 3706, because occupancy 0.48 <= existing 0.520001 Skipped atom 3873, because occupancy 0.46 <= existing 0.540001 Skipped atom 3883, because occupancy 0.41 <= existing 0.590001 Skipped atom 3885, because occupancy 0.41 <= existing 0.590001 Skipped atom 3887, because occupancy 0.41 <= existing 0.590001 Skipped atom 3889, because occupancy 0.41 <= existing 0.590001 Skipped atom 3951, because occupancy 0.05 <= existing 0.950001 Skipped atom 3953, because occupancy 0.05 <= existing 0.950001 Skipped atom 3955, because occupancy 0.05 <= existing 0.950001 Skipped atom 3957, because occupancy 0.05 <= existing 0.950001 Skipped atom 3959, because occupancy 0.05 <= existing 0.950001 Skipped atom 3961, because occupancy 0.05 <= existing 0.950001 Skipped atom 4011, because occupancy 0.37 <= existing 0.630001 Skipped atom 4201, because occupancy 0.48 <= existing 0.520001 Skipped atom 4203, because occupancy 0.48 <= existing 0.520001 Skipped atom 4205, because occupancy 0.48 <= existing 0.520001 Skipped atom 4207, because occupancy 0.48 <= existing 0.520001 Skipped atom 4209, because occupancy 0.48 <= existing 0.520001 Skipped atom 4211, because occupancy 0.48 <= existing 0.520001 Skipped atom 4213, because occupancy 0.48 <= existing 0.520001 Skipped atom 4215, because occupancy 0.48 <= existing 0.520001 Skipped atom 4317, because occupancy 0.42 <= existing 0.580001 Skipped atom 4319, because occupancy 0.42 <= existing 0.580001 Skipped atom 4321, because occupancy 0.42 <= existing 0.580001 Skipped atom 4323, because occupancy 0.42 <= existing 0.580001 Skipped atom 4325, because occupancy 0.42 <= existing 0.580001 # found chain 1ea7A in template set T0187 89 :PAKVVALVL 1ea7A 96 :DADLWAYKV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87347 Ang V6.CG1 and L8.CD2 neighbor-bump: 1.9539 Ang G1.C and P2.CD self-bump: 1.32432 Ang P2.N and P2.CD self-bump: 2.17412 Ang P2.N and P2.CG Number of specific fragments= 1 total=1808 # 1gt91.90.91 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 90 :AKVVALVLS 1gt91 92 :GAKIAVYFA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1809 # 1thm.90.95 read from T0187.t2k.frag # found chain 1thm in training set T0187 90 :AKVVALVLS 1thm 96 :ASILAVRVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1810 # 1poxA.90.93 read from T0187.t2k.frag # found chain 1poxA in template set T0187 90 :AKVVALVLS 1poxA 102 :VPVLALIGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1811 # 1jixA.90.90 read from T0187.t2k.frag # found chain 1jixA in training set T0187 90 :AKVVALVLS 1jixA 91 :KSKIYYLFT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1812 # 1dbiA.90.96 read from T0187.t2k.frag # adding 1dbiA to template set 1dbiA:Skipped atom 258, because occupancy 1 <= existing 1 Skipped atom 1059, because occupancy 1 <= existing 1 Skipped atom 1061, because occupancy 1 <= existing 1 Skipped atom 1591, because occupancy 1 <= existing 1 Skipped atom 1673, because occupancy 1 <= existing 1 Skipped atom 1675, because occupancy 1 <= existing 1 Skipped atom 1677, because occupancy 1 <= existing 1 Skipped atom 1702, because occupancy 1 <= existing 1 Skipped atom 1704, because occupancy 1 <= existing 1 Skipped atom 1706, because occupancy 1 <= existing 1 # found chain 1dbiA in template set T0187 90 :AKVVALVLS 1dbiA 97 :TRILAVRAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1813 # 1dn1A.90.98 read from T0187.t2k.frag # adding 1dn1A to template set 1dn1A:# found chain 1dn1A in template set T0187 90 :AKVVALVLS 1dn1A 99 :YRAAHVFFT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1814 # 1thm.91.96 read from T0187.t2k.frag # found chain 1thm in training set T0187 91 :KVVALVLSD 1thm 97 :SILAVRVLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1815 # 1gt91.91.92 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 91 :KVVALVLSD 1gt91 93 :AKIAVYFAP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1816 # 1dbiA.91.97 read from T0187.t2k.frag # found chain 1dbiA in template set T0187 91 :KVVALVLSD 1dbiA 98 :RILAVRALD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1817 # 1jixA.91.91 read from T0187.t2k.frag # found chain 1jixA in training set T0187 91 :KVVALVLSD 1jixA 92 :SKIYYLFTD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1818 # 1poxA.91.94 read from T0187.t2k.frag # found chain 1poxA in template set T0187 91 :KVVALVLSD 1poxA 103 :PVLALIGQF 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 # 1dn1A.91.99 read from T0187.t2k.frag # found chain 1dn1A in template set T0187 91 :KVVALVLSD 1dn1A 100 :RAAHVFFTD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1820 # 1thm.92.97 read from T0187.t2k.frag # found chain 1thm in training set T0187 92 :VVALVLSDV 1thm 98 :ILAVRVLDN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1821 # 1gt91.92.93 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 92 :VVALVLSDV 1gt91 94 :KIAVYFAPN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1822 # 1jixA.92.92 read from T0187.t2k.frag # found chain 1jixA in training set T0187 92 :VVALVLSDV 1jixA 93 :KIYYLFTDI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1823 # 1dbiA.92.98 read from T0187.t2k.frag # found chain 1dbiA in template set T0187 92 :VVALVLSDV 1dbiA 99 :ILAVRALDR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1824 # 1dn1A.92.100 read from T0187.t2k.frag # found chain 1dn1A in template set T0187 92 :VVALVLSDV 1dn1A 101 :AAHVFFTDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1825 # 1bmqA.92.99 read from T0187.t2k.frag # found chain 1bmqA in template set T0187 92 :VVALVLSDV 1bmqA 230 :TFLVFMSHG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.96337 Ang D9.C and V10.CG1 other bump:2.06714 Ang L5.CD2 and L7.CD1 neighbor-bump: 3.01635 Ang G1.C and V2.CG1 Number of specific fragments= 1 total=1826 # 1thm.93.98 read from T0187.t2k.frag # found chain 1thm in training set T0187 93 :VALVLSDVL 1thm 99 :LAVRVLDNS 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 # 1gt91.93.94 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 93 :VALVLSDVL 1gt91 95 :IAVYFAPNT 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 # 1jixA.93.93 read from T0187.t2k.frag # found chain 1jixA in training set T0187 93 :VALVLSDVL 1jixA 94 :IYYLFTDIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1829 # 1dn1A.93.101 read from T0187.t2k.frag # found chain 1dn1A in template set T0187 93 :VALVLSDVL 1dn1A 102 :AHVFFTDSC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1830 # 1dbiA.93.99 read from T0187.t2k.frag # found chain 1dbiA in template set T0187 93 :VALVLSDVL 1dbiA 100 :LAVRALDRN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1831 # 1dysA.93.80 read from T0187.t2k.frag # adding 1dysA to template set 1dysA:Skipped atom 122, because occupancy 0.5 <= existing 0.500001 Skipped atom 129, because occupancy 0.4 <= existing 0.600001 Skipped atom 221, because occupancy 0.5 <= existing 0.500001 Skipped atom 729, because occupancy 0.5 <= existing 0.500001 Skipped atom 1669, because occupancy 0.5 <= existing 0.500001 # found chain 1dysA in template set T0187 93 :VALVLSDVL 1dysA 81 :VGLVLYNLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1832 # 1gt91.94.95 read from T0187.t2k.frag # found chain 1gt91 in template set T0187 94 :ALVLSDVLG 1gt91 96 :AVYFAPNTD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1833 # 1thm.94.99 read from T0187.t2k.frag # found chain 1thm in training set T0187 94 :ALVLSDVLG 1thm 100 :AVRVLDNSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1834 # 1dn1A.94.102 read from T0187.t2k.frag # found chain 1dn1A in template set T0187 94 :ALVLSDVLG 1dn1A 103 :HVFFTDSCP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1835 # 1jixA.94.94 read from T0187.t2k.frag # found chain 1jixA in training set T0187 94 :ALVLSDVLG 1jixA 95 :YYLFTDIRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1836 # 1chmA.94.94 read from T0187.t2k.frag # adding 1chmA to template set 1chmA:# found chain 1chmA in template set T0187 94 :A 1chmA 96 :N Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 97 :LSDVLG 1chmA 99 :YTDWQR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.64179 Ang V5.O and L6.CD1 Number of specific fragments= 2 total=1838 Number of alignments=316 # 1dbiA.94.100 read from T0187.t2k.frag # found chain 1dbiA in template set T0187 94 :ALVLSDVLG 1dbiA 101 :AVRALDRNG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1839 # 1dn1A.95.103 read from T0187.t2k.frag # found chain 1dn1A in template set T0187 95 :LVLSDVLGD 1dn1A 104 :VFFTDSCPD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1840 # 1bmtA.95.98 read from T0187.t2k.frag # adding 1bmtA to template set 1bmtA:# found chain 1bmtA in template set T0187 95 :LVLSDVLGD 1bmtA 749 :MVIATVKGD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1841 # 1chmA.95.95 read from T0187.t2k.frag # found chain 1chmA in template set T0187 97 :LSDVLGD 1chmA 99 :YTDWQRD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.64179 Ang V5.O and L6.CD1 Number of specific fragments= 1 total=1842 # 1fc6A.95.101 read from T0187.t2k.frag # found chain 1fc6A in training set T0187 95 :LVLSDVLGD 1fc6A 178 :VVLTPAPGG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.38042 Ang V7.O and D10.OD1 other bump:2.50547 Ang V7.C and D10.OD1 other bump:2.37432 Ang V7.O and D10.CG other bump:3.25159 Ang V7.C and D10.CG self-bump: 1.27231 Ang L8.CA and L8.CB Number of specific fragments= 1 total=1843 # 1tlk.95.99 read from T0187.t2k.frag # adding 1tlk to template set 1tlk:# found chain 1tlk in template set T0187 95 :LVLSDVLGD 1tlk 100 :LTISEVCGD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1844 # 1fhgA.95.99 read from T0187.t2k.frag # adding 1fhgA to template set 1fhgA:Skipped atom 51, because occupancy 0.5 <= existing 0.500001 Skipped atom 53, because occupancy 0.5 <= existing 0.500001 Skipped atom 55, because occupancy 0.5 <= existing 0.500001 Skipped atom 57, because occupancy 0.5 <= existing 0.500001 Skipped atom 59, because occupancy 0.5 <= existing 0.500001 Skipped atom 61, because occupancy 0.5 <= existing 0.500001 Skipped atom 63, because occupancy 0.5 <= existing 0.500001 Skipped atom 211, because occupancy 0.5 <= existing 0.500001 Skipped atom 213, because occupancy 0.5 <= existing 0.500001 Skipped atom 215, because occupancy 0.5 <= existing 0.500001 Skipped atom 217, because occupancy 0.5 <= existing 0.500001 Skipped atom 219, because occupancy 0.5 <= existing 0.500001 Skipped atom 221, because occupancy 0.5 <= existing 0.500001 Skipped atom 223, because occupancy 0.5 <= existing 0.500001 Skipped atom 225, because occupancy 0.5 <= existing 0.500001 Skipped atom 227, because occupancy 0.5 <= existing 0.500001 Skipped atom 229, because occupancy 0.5 <= existing 0.500001 Skipped atom 231, because occupancy 0.5 <= existing 0.500001 # found chain 1fhgA in template set T0187 95 :LVLSDVLGD 1fhgA 100 :LTISEVCGD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1845 # 1fc6A.96.102 read from T0187.t2k.frag # found chain 1fc6A in training set T0187 96 :VLSDVLGDR 1fc6A 179 :VLTPAPGGP Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.84081 Ang V6.CG1 and D9.OD2 other bump:2.30993 Ang V6.CA and D9.OD2 other bump:1.18153 Ang V6.CB and D9.OD2 other bump:2.69801 Ang V6.C and D9.OD2 other bump:2.38911 Ang V6.CG2 and D9.OD2 other bump:3.05969 Ang V6.CG1 and D9.OD1 other bump:2.75652 Ang V6.CG1 and D9.CG other bump:2.43824 Ang V6.CB and D9.CG self-bump: 1.27231 Ang L7.CA and L7.CB Number of specific fragments= 1 total=1846 # 1bmtA.96.99 read from T0187.t2k.frag # found chain 1bmtA in template set T0187 96 :VLSDVLGDR 1bmtA 750 :VIATVKGDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1847 # 1chmA.96.96 read from T0187.t2k.frag # found chain 1chmA in template set T0187 97 :LSDVLGDR 1chmA 99 :YTDWQRDN Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:1.86827 Ang S3.CA and R9.NH2 other bump:2.89953 Ang S3.C and R9.NH2 other bump:2.02012 Ang S3.N and R9.NH2 other bump:1.03212 Ang S3.CB and R9.NH2 other bump:2.39422 Ang S3.OG and R9.NH2 other bump:1.24599 Ang S3.CA and R9.NH1 other bump:1.71258 Ang S3.O and R9.NH1 other bump:0.816538 Ang S3.C and R9.NH1 other bump:1.64492 Ang D4.N and R9.NH1 other bump:2.41723 Ang S3.N and R9.NH1 other bump:1.74942 Ang S3.CB and R9.NH1 other bump:2.07182 Ang S3.OG and R9.NH1 other bump:1.56366 Ang S3.CA and R9.CZ other bump:2.04962 Ang S3.O and R9.CZ other bump:1.85942 Ang S3.C and R9.CZ other bump:2.94943 Ang D4.N and R9.CZ other bump:2.02206 Ang S3.N and R9.CZ other bump:1.4088 Ang S3.CB and R9.CZ other bump:2.36327 Ang S3.OG and R9.CZ other bump:2.74609 Ang S3.CA and R9.NE other bump:2.10749 Ang S3.O and R9.NE other bump:2.58871 Ang S3.C and R9.NE other bump:2.75044 Ang S3.N and R9.NE other bump:2.64209 Ang S3.CB and R9.NE other bump:1.96764 Ang S3.O and R9.CD other bump:2.87133 Ang S3.C and R9.CD neighbor-bump: 2.64179 Ang V5.O and L6.CD1 Number of specific fragments= 1 total=1848 # 1dn1A.96.104 read from T0187.t2k.frag # found chain 1dn1A in template set T0187 96 :VLSDVLGDR 1dn1A 105 :FFTDSCPDA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1849 # 1tlk.96.100 read from T0187.t2k.frag # found chain 1tlk in template set T0187 96 :VLSDVLGDR 1tlk 101 :TISEVCGDD Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.73119 Ang L3.CD2 and R10.NH2 other bump:1.98761 Ang L3.CD1 and R10.NH2 other bump:2.13944 Ang L3.CA and R10.NH2 other bump:0.981166 Ang L3.CB and R10.NH2 other bump:1.10972 Ang L3.CG and R10.NH2 other bump:2.45906 Ang L3.CD2 and R10.NH1 other bump:1.82261 Ang L3.CD2 and R10.CZ other bump:2.50924 Ang L3.CD1 and R10.CZ other bump:3.07429 Ang L3.CA and R10.CZ other bump:2.15451 Ang L3.CB and R10.CZ other bump:2.09868 Ang L3.CG and R10.CZ other bump:2.42042 Ang L3.CD2 and R10.NE other bump:2.27617 Ang L3.CD1 and R10.NE other bump:2.64146 Ang L3.CG and R10.NE Number of specific fragments= 1 total=1850 # 1fhgA.96.100 read from T0187.t2k.frag # found chain 1fhgA in template set T0187 96 :VLSDVLGDR 1fhgA 101 :TISEVCGDD Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.90853 Ang L3.CD2 and R10.NH2 other bump:1.49192 Ang L3.CD1 and R10.NH2 other bump:2.54315 Ang L3.CA and R10.NH2 other bump:1.1964 Ang L3.CB and R10.NH2 other bump:1.01998 Ang L3.CG and R10.NH2 other bump:2.53357 Ang L3.CD2 and R10.CZ other bump:2.09233 Ang L3.CD1 and R10.CZ other bump:2.12181 Ang L3.CB and R10.CZ other bump:2.22994 Ang L3.CG and R10.CZ other bump:2.07651 Ang L3.CD1 and R10.NE other bump:2.97224 Ang L3.CG and R10.NE Number of specific fragments= 1 total=1851 # 1fc6A.97.103 read from T0187.t2k.frag # found chain 1fc6A in training set T0187 97 :LSDVLGDRL 1fc6A 180 :LTPAPGGPA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.84081 Ang V5.CG1 and D8.OD2 other bump:2.30993 Ang V5.CA and D8.OD2 other bump:1.18153 Ang V5.CB and D8.OD2 other bump:2.69801 Ang V5.C and D8.OD2 other bump:2.38911 Ang V5.CG2 and D8.OD2 other bump:3.05969 Ang V5.CG1 and D8.OD1 other bump:2.75652 Ang V5.CG1 and D8.CG other bump:2.43824 Ang V5.CB and D8.CG self-bump: 1.27231 Ang L6.CA and L6.CB Number of specific fragments= 1 total=1852 # 1chmA.97.97 read from T0187.t2k.frag # found chain 1chmA in template set T0187 97 :LSDVLGDRL 1chmA 99 :YTDWQRDNY Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.86826 Ang S3.CA and R9.NH2 other bump:2.89952 Ang S3.C and R9.NH2 other bump:2.02012 Ang S3.N and R9.NH2 other bump:1.03211 Ang S3.CB and R9.NH2 other bump:2.39422 Ang S3.OG and R9.NH2 other bump:1.24599 Ang S3.CA and R9.NH1 other bump:1.71258 Ang S3.O and R9.NH1 other bump:0.816539 Ang S3.C and R9.NH1 other bump:1.64492 Ang D4.N and R9.NH1 other bump:2.41723 Ang S3.N and R9.NH1 other bump:1.74941 Ang S3.CB and R9.NH1 other bump:2.07181 Ang S3.OG and R9.NH1 other bump:1.56366 Ang S3.CA and R9.CZ other bump:2.04961 Ang S3.O and R9.CZ other bump:1.85942 Ang S3.C and R9.CZ other bump:2.94943 Ang D4.N and R9.CZ other bump:2.02206 Ang S3.N and R9.CZ other bump:1.4088 Ang S3.CB and R9.CZ other bump:2.36327 Ang S3.OG and R9.CZ other bump:2.74609 Ang S3.CA and R9.NE other bump:2.10749 Ang S3.O and R9.NE other bump:2.58871 Ang S3.C and R9.NE other bump:2.75044 Ang S3.N and R9.NE other bump:2.64209 Ang S3.CB and R9.NE other bump:1.96764 Ang S3.O and R9.CD other bump:2.87133 Ang S3.C and R9.CD neighbor-bump: 2.64179 Ang V5.O and L6.CD1 Number of specific fragments= 1 total=1853 # 1bmtA.97.100 read from T0187.t2k.frag # found chain 1bmtA in template set T0187 97 :LSDVLGDRL 1bmtA 751 :IATVKGDVH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1854 # 1k3bA.97.101 read from T0187.t2k.frag # adding 1k3bA to template set 1k3bA:# found chain 1k3bA in template set T0187 97 :LSDVLGDRL 1k3bA 102 :VHDVLGRNW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60875 Ang S3.OG and R9.C other bump:1.84234 Ang S3.OG and R9.O self-bump: 1.35073 Ang D8.CA and D8.CB Number of specific fragments= 1 total=1855 # 1tlk.97.101 read from T0187.t2k.frag # found chain 1tlk in template set T0187 97 :LSDVLGDRL 1tlk 102 :ISEVCGDDD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7929 Ang D4.N and R9.NH1 other bump:1.37943 Ang D4.O and R9.NH1 other bump:1.83859 Ang D4.C and R9.NH1 other bump:2.35331 Ang V5.N and R9.NH1 other bump:2.59592 Ang V5.CA and R9.NH1 other bump:2.08159 Ang D4.O and R9.CZ other bump:2.99656 Ang D4.C and R9.CZ other bump:2.74923 Ang L6.N and R9.CD other bump:3.0821 Ang V5.CA and R9.CD Number of specific fragments= 1 total=1856 # 1fhgA.97.101 read from T0187.t2k.frag # found chain 1fhgA in template set T0187 97 :LSDVLGDRL 1fhgA 102 :ISEVCGDDD Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74486 Ang D4.N and R9.NH1 other bump:2.05582 Ang D4.O and R9.NH1 other bump:2.16041 Ang D4.C and R9.NH1 other bump:2.59194 Ang V5.N and R9.NH1 other bump:2.58825 Ang D4.O and R9.CZ other bump:3.19048 Ang D4.C and R9.CZ Number of specific fragments= 1 total=1857 # 1fc6A.98.104 read from T0187.t2k.frag # found chain 1fc6A in training set T0187 98 :SDVLGDRLD 1fc6A 181 :TPAPGGPAE Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.99045 Ang D3.OD2 and D10.OD2 other bump:1.67126 Ang L5.CD2 and D10.OD1 other bump:2.02648 Ang L5.CD2 and D10.CG other bump:2.49804 Ang D3.OD2 and D10.CG other bump:2.85988 Ang L5.CD2 and D10.CB other bump:2.43803 Ang D3.OD2 and D10.CB other bump:1.18153 Ang V4.CB and D7.OD2 other bump:1.84081 Ang V4.CG1 and D7.OD2 other bump:2.38911 Ang V4.CG2 and D7.OD2 other bump:2.30993 Ang V4.CA and D7.OD2 other bump:2.69801 Ang V4.C and D7.OD2 other bump:3.05969 Ang V4.CG1 and D7.OD1 other bump:2.43824 Ang V4.CB and D7.CG other bump:2.75652 Ang V4.CG1 and D7.CG self-bump: 1.27231 Ang L5.CA and L5.CB Number of specific fragments= 1 total=1858 # 1chmA.98.98 read from T0187.t2k.frag # found chain 1chmA in template set T0187 98 :SDVLGDRLD 1chmA 100 :TDWQRDNYF Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.02012 Ang S2.N and R8.NH2 other bump:1.86826 Ang S2.CA and R8.NH2 other bump:1.03211 Ang S2.CB and R8.NH2 other bump:2.39422 Ang S2.OG and R8.NH2 other bump:2.89952 Ang S2.C and R8.NH2 other bump:1.64492 Ang D3.N and R8.NH1 other bump:2.41723 Ang S2.N and R8.NH1 other bump:1.71258 Ang S2.O and R8.NH1 other bump:1.24599 Ang S2.CA and R8.NH1 other bump:1.74941 Ang S2.CB and R8.NH1 other bump:2.07182 Ang S2.OG and R8.NH1 other bump:0.816539 Ang S2.C and R8.NH1 other bump:2.94943 Ang D3.N and R8.CZ other bump:2.02206 Ang S2.N and R8.CZ other bump:2.04961 Ang S2.O and R8.CZ other bump:1.56366 Ang S2.CA and R8.CZ other bump:1.40879 Ang S2.CB and R8.CZ other bump:2.36327 Ang S2.OG and R8.CZ other bump:1.85942 Ang S2.C and R8.CZ other bump:2.75044 Ang S2.N and R8.NE other bump:2.10749 Ang S2.O and R8.NE other bump:2.74609 Ang S2.CA and R8.NE other bump:2.64208 Ang S2.CB and R8.NE other bump:2.58871 Ang S2.C and R8.NE other bump:1.96764 Ang S2.O and R8.CD other bump:2.87133 Ang S2.C and R8.CD neighbor-bump: 2.64179 Ang V4.O and L5.CD1 Number of specific fragments= 1 total=1859 # 1k3bA.98.102 read from T0187.t2k.frag # found chain 1k3bA in template set T0187 98 :SDVLGDRLD 1k3bA 103 :HDVLGRNWA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60874 Ang S2.OG and R8.C other bump:1.84234 Ang S2.OG and R8.O self-bump: 1.35073 Ang D7.CA and D7.CB Number of specific fragments= 1 total=1860 # 1gylA.98.105 read from T0187.t2k.frag # adding 1gylA to template set 1gylA:# found chain 1gylA in template set T0187 98 :SDVLGDRLD 1gylA 106 :SSWATSSVE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57739 Ang R8.CB and D10.OD1 self-bump: 1.3638 Ang D10.CA and D10.CB other bump:2.55384 Ang S2.O and L5.CD1 other bump:2.21652 Ang S2.O and L5.CG Number of specific fragments= 1 total=1861 # 1dn1A.98.106 read from T0187.t2k.frag # found chain 1dn1A in template set T0187 98 :SDVLGDRLD 1dn1A 107 :TDSCPDALF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52686 Ang L5.CD2 and D10.OD1 other bump:2.94705 Ang L5.CD2 and D10.CB other bump:3.10763 Ang L5.CD2 and D10.CA Number of specific fragments= 1 total=1862 # 1pbv.98.99 read from T0187.t2k.frag # found chain 1pbv in training set T0187 98 :SDVLGDRLD 1pbv 151 :FRLPGEAQK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65936 Ang L5.CD1 and D10.OD2 Number of specific fragments= 1 total=1863 # 1fc6A.99.105 read from T0187.t2k.frag # found chain 1fc6A in training set T0187 99 :DVLGDRLDV 1fc6A 182 :PAPGGPAEK Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.99046 Ang D2.OD2 and D9.OD2 other bump:1.67127 Ang L4.CD2 and D9.OD1 other bump:2.02649 Ang L4.CD2 and D9.CG other bump:2.49804 Ang D2.OD2 and D9.CG other bump:2.85989 Ang L4.CD2 and D9.CB other bump:2.43802 Ang D2.OD2 and D9.CB other bump:1.84081 Ang V3.CG1 and D6.OD2 other bump:2.30993 Ang V3.CA and D6.OD2 other bump:1.18153 Ang V3.CB and D6.OD2 other bump:2.69801 Ang V3.C and D6.OD2 other bump:2.38911 Ang V3.CG2 and D6.OD2 other bump:3.05969 Ang V3.CG1 and D6.OD1 other bump:2.75652 Ang V3.CG1 and D6.CG other bump:2.43824 Ang V3.CB and D6.CG self-bump: 1.27231 Ang L4.CA and L4.CB Number of specific fragments= 1 total=1864 # 1chmA.99.99 read from T0187.t2k.frag # found chain 1chmA in template set T0187 99 :DVLGDRLDV 1chmA 101 :DWQRDNYFA Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89952 Ang G1.C and R7.NH2 other bump:1.71258 Ang G1.O and R7.NH1 other bump:0.816539 Ang G1.C and R7.NH1 other bump:1.64492 Ang D2.N and R7.NH1 other bump:2.04961 Ang G1.O and R7.CZ other bump:1.85942 Ang G1.C and R7.CZ other bump:2.94943 Ang D2.N and R7.CZ other bump:2.10749 Ang G1.O and R7.NE other bump:2.58871 Ang G1.C and R7.NE other bump:1.96764 Ang G1.O and R7.CD other bump:2.87133 Ang G1.C and R7.CD neighbor-bump: 2.64179 Ang V3.O and L4.CD1 Number of specific fragments= 1 total=1865 # 1gylA.99.106 read from T0187.t2k.frag # found chain 1gylA in template set T0187 99 :DVLGDRLDV 1gylA 107 :SWATSSVEE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.85495 Ang R7.NE and V10.CG2 other bump:3.01441 Ang R7.NH2 and V10.CG2 other bump:2.71196 Ang R7.CB and D9.OD1 self-bump: 1.38182 Ang D9.CA and D9.CB other bump:2.55384 Ang G1.O and L4.CD1 other bump:2.21653 Ang G1.O and L4.CG Number of specific fragments= 1 total=1866 # 1muyA.99.101 read from T0187.t2k.frag # adding 1muyA to template set 1muyA:# found chain 1muyA in template set T0187 99 :DVLGDRLDV 1muyA 102 :GKFPETFEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1867 # 1tsp.99.104 read from T0187.t2k.frag # adding 1tsp to template set 1tsp:# found chain 1tsp in template set T0187 99 :DVLGDRLDV 1tsp 212 :QWLTDAAAV 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 # 1mun.99.101 read from T0187.t2k.frag # adding 1mun to template set 1mun:Skipped atom 1583, because occupancy 0.5 <= existing 0.500001 Skipped atom 1757, because occupancy 0.34 <= existing 0.660001 # found chain 1mun in template set T0187 99 :DVLGDRLDV 1mun 102 :GKFPETFEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1869 # 1fc6A.100.106 read from T0187.t2k.frag # found chain 1fc6A in training set T0187 100 :VLGDRLDVI 1fc6A 183 :APGGPAEKA Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.67126 Ang L3.CD2 and D8.OD1 other bump:2.02647 Ang L3.CD2 and D8.CG other bump:2.85987 Ang L3.CD2 and D8.CB other bump:0.464828 Ang V2.CG2 and D5.OD2 other bump:2.30993 Ang V2.CA and D5.OD2 other bump:1.49305 Ang V2.CB and D5.OD2 other bump:2.69801 Ang V2.C and D5.OD2 other bump:2.71818 Ang V2.CG1 and D5.OD2 other bump:2.17368 Ang V2.CG2 and D5.OD1 other bump:1.34755 Ang V2.CG2 and D5.CG other bump:2.74635 Ang V2.CB and D5.CG other bump:2.50353 Ang V2.CG2 and D5.CB self-bump: 1.27231 Ang L3.CA and L3.CB Number of specific fragments= 1 total=1870 # 1muyA.100.102 read from T0187.t2k.frag # found chain 1muyA in template set T0187 100 :VLGDRLDVI 1muyA 103 :KFPETFEEV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1871 # 1mun.100.102 read from T0187.t2k.frag # found chain 1mun in template set T0187 100 :VLGDRLDVI 1mun 103 :KFPETFEEV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1872 # 1gylA.100.107 read from T0187.t2k.frag # found chain 1gylA in template set T0187 100 :VLGDRLDVI 1gylA 108 :WATSSVEEV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.85495 Ang R6.NE and V9.CG2 other bump:3.01441 Ang R6.NH2 and V9.CG2 other bump:2.71196 Ang R6.CB and D8.OD1 self-bump: 1.38182 Ang D8.CA and D8.CB Number of specific fragments= 1 total=1873 # 1chmA.100.100 read from T0187.t2k.frag # found chain 1chmA in template set T0187 100 :VLGDRLDVI 1chmA 102 :WQRDNYFAA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.64179 Ang V2.O and L3.CD1 Number of specific fragments= 1 total=1874 # 1tsp.100.105 read from T0187.t2k.frag # found chain 1tsp in template set T0187 100 :VLGDRLDVI 1tsp 213 :WLTDAAAVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1875 # 1muyA.101.103 read from T0187.t2k.frag # found chain 1muyA in template set T0187 101 :LGDRLDVIA 1muyA 104 :FPETFEEVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1876 # 1mun.101.103 read from T0187.t2k.frag # found chain 1mun in template set T0187 101 :LGDRLDVIA 1mun 104 :FPETFEEVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1877 # 1gylA.101.108 read from T0187.t2k.frag # found chain 1gylA in template set T0187 101 :LGDRLDVIA 1gylA 109 :ATSSVEEVA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.02891 Ang D4.CB and I9.CG1 other bump:2.85495 Ang R5.NE and V8.CG2 other bump:3.01441 Ang R5.NH2 and V8.CG2 other bump:2.71196 Ang R5.CB and D7.OD1 self-bump: 1.38182 Ang D7.CA and D7.CB Number of specific fragments= 1 total=1878 # 1tsp.101.106 read from T0187.t2k.frag # found chain 1tsp in template set T0187 101 :LGDRLDVIA 1tsp 214 :LTDAAAVVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1879 # 1qq1A.101.106 read from T0187.t2k.frag # adding 1qq1A to template set 1qq1A:# found chain 1qq1A in template set T0187 101 :LGDRLDVIA 1qq1A 214 :LTDAAAVVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1880 # 1fc6A.101.107 read from T0187.t2k.frag # found chain 1fc6A in training set T0187 101 :LGDRLDVIA 1fc6A 184 :PGGPAEKAG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.20491 Ang I9.O and A10.CB neighbor-bump: 2.51204 Ang I9.C and A10.CB other bump:1.67127 Ang L2.CD2 and D7.OD1 other bump:2.02649 Ang L2.CD2 and D7.CG other bump:2.85989 Ang L2.CD2 and D7.CB other bump:2.69801 Ang G1.C and D4.OD2 self-bump: 1.27231 Ang L2.CA and L2.CB Number of specific fragments= 1 total=1881 # 1muyA.102.104 read from T0187.t2k.frag # found chain 1muyA in template set T0187 102 :GDRLDVIAS 1muyA 105 :PETFEEVAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1882 # 1mun.102.104 read from T0187.t2k.frag # found chain 1mun in template set T0187 102 :GDRLDVIAS 1mun 105 :PETFEEVAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1883 # 1gylA.102.109 read from T0187.t2k.frag # found chain 1gylA in template set T0187 102 :GDRLDVIAS 1gylA 110 :TSSVEEVAS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.02891 Ang D3.CB and I8.CG1 other bump:2.85495 Ang R4.NE and V7.CG2 other bump:3.01441 Ang R4.NH2 and V7.CG2 other bump:2.71196 Ang R4.CB and D6.OD1 self-bump: 1.38182 Ang D6.CA and D6.CB Number of specific fragments= 1 total=1884 # 1tsp.102.107 read from T0187.t2k.frag # found chain 1tsp in template set T0187 102 :GDRLDVIAS 1tsp 215 :TDAAAVVAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1885 # 1qq1A.102.107 read from T0187.t2k.frag # found chain 1qq1A in template set T0187 102 :GDRLDVIAS 1qq1A 215 :TDAAAVVAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1886 # 1gox.102.110 read from T0187.t2k.frag # adding 1gox to template set 1gox: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 Bad short name: N1 for alphabet: pdb_atoms Bad short name: C2 for alphabet: pdb_atoms Bad short name: O2 for alphabet: pdb_atoms Bad short name: N3 for alphabet: pdb_atoms Bad short name: C4 for alphabet: pdb_atoms Bad short name: O4 for alphabet: pdb_atoms Bad short name: C4A for alphabet: pdb_atoms Bad short name: N5 for alphabet: pdb_atoms Bad short name: C5A for alphabet: pdb_atoms Bad short name: C6 for alphabet: pdb_atoms Bad short name: C7 for alphabet: pdb_atoms Bad short name: C7M for alphabet: pdb_atoms Bad short name: C8 for alphabet: pdb_atoms Bad short name: C8M for alphabet: pdb_atoms Bad short name: C9 for alphabet: pdb_atoms Bad short name: C9A for alphabet: pdb_atoms Bad short name: N10 for alphabet: pdb_atoms Bad short name: C10 for alphabet: pdb_atoms Bad short name: C1* for alphabet: pdb_atoms Bad short name: C2* for alphabet: pdb_atoms Bad short name: O2* for alphabet: pdb_atoms Bad short name: C3* for alphabet: pdb_atoms Bad short name: O3* for alphabet: pdb_atoms Bad short name: C4* for alphabet: pdb_atoms Bad short name: O4* for alphabet: pdb_atoms Bad short name: C5* for alphabet: pdb_atoms Bad short name: O5* for alphabet: pdb_atoms Bad short name: P for alphabet: pdb_atoms Bad short name: OP1 for alphabet: pdb_atoms Bad short name: OP2 for alphabet: pdb_atoms Bad short name: OP3 for alphabet: pdb_atoms # found chain 1gox in template set T0187 102 :GDRLDVIAS 1gox 110 :TSSVEEVAS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36561 Ang D3.OD2 and I8.CG2 Number of specific fragments= 1 total=1887 # 1muyA.103.105 read from T0187.t2k.frag # found chain 1muyA in template set T0187 103 :DRLDVIASG 1muyA 106 :ETFEEVAAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1888 # 1mun.103.105 read from T0187.t2k.frag # found chain 1mun in template set T0187 103 :DRLDVIASG 1mun 106 :ETFEEVAAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1889 # 1gylA.103.110 read from T0187.t2k.frag # found chain 1gylA in template set T0187 103 :DRLDVIASG 1gylA 111 :SSVEEVAST Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.02891 Ang D2.CB and I7.CG1 other bump:2.85495 Ang R3.NE and V6.CG2 other bump:3.01441 Ang R3.NH2 and V6.CG2 other bump:2.71196 Ang R3.CB and D5.OD1 self-bump: 1.38182 Ang D5.CA and D5.CB Number of specific fragments= 1 total=1890 # 1tsp.103.108 read from T0187.t2k.frag # found chain 1tsp in template set T0187 103 :DRLDVIASG 1tsp 216 :DAAAVVATL 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 # 1qq1A.103.108 read from T0187.t2k.frag # found chain 1qq1A in template set T0187 103 :DRLDVIASG 1qq1A 216 :DAAAVVATL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1892 # 1gox.103.111 read from T0187.t2k.frag # found chain 1gox in template set T0187 103 :DRLDVIASG 1gox 111 :SSVEEVAST Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04847 Ang D2.OD2 and I7.CG2 other bump:2.21318 Ang D2.OD1 and V6.CG1 other bump:2.65854 Ang D2.OD1 and V6.CB Number of specific fragments= 1 total=1893 # 1muyA.104.106 read from T0187.t2k.frag # found chain 1muyA in template set T0187 104 :RLDVIASGP 1muyA 107 :TFEEVAALP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1894 # 1mun.104.106 read from T0187.t2k.frag # found chain 1mun in template set T0187 104 :RLDVIASGP 1mun 107 :TFEEVAALP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1895 # 1gylA.104.111 read from T0187.t2k.frag # found chain 1gylA in template set T0187 104 :RLDVIASGP 1gylA 112 :SVEEVASTG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.50455 Ang G9.N and P10.CD neighbor-bump: 1.57025 Ang G9.CA and P10.CD neighbor-bump: 1.12625 Ang G9.O and P10.CD neighbor-bump: 0.203082 Ang G9.C and P10.CD neighbor-bump: 2.94007 Ang G9.CA and P10.CG neighbor-bump: 0.655261 Ang G9.O and P10.CG neighbor-bump: 1.60814 Ang G9.C and P10.CG neighbor-bump: 2.07091 Ang G9.O and P10.CB neighbor-bump: 2.43927 Ang G9.C and P10.CB self-bump: 1.38182 Ang D4.CA and D4.CB Number of specific fragments= 1 total=1896 # 1qq1A.104.109 read from T0187.t2k.frag # found chain 1qq1A in template set T0187 104 :RLDVIASGP 1qq1A 217 :AAAVVATLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1897 # 1tsp.104.109 read from T0187.t2k.frag # found chain 1tsp in template set T0187 104 :RLDVIASGP 1tsp 217 :AAAVVATLK 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 # 1jatA.104.108 read from T0187.t2k.frag # adding 1jatA to template set 1jatA:Skipped atom 1027, because occupancy 0.4 <= existing 0.600001 Skipped atom 1029, because occupancy 0.4 <= existing 0.600001 Skipped atom 1031, because occupancy 0.4 <= existing 0.600001 Skipped atom 1033, because occupancy 0.4 <= existing 0.600001 Skipped atom 1035, because occupancy 0.4 <= existing 0.600001 Skipped atom 1037, because occupancy 0.4 <= existing 0.600001 Skipped atom 1039, because occupancy 0.4 <= existing 0.600001 Skipped atom 1041, because occupancy 0.4 <= existing 0.600001 Skipped atom 1043, because occupancy 0.4 <= existing 0.600001 Skipped atom 1045, because occupancy 0.4 <= existing 0.600001 Skipped atom 1047, because occupancy 0.4 <= existing 0.600001 Skipped atom 1049, because occupancy 0.4 <= existing 0.600001 Skipped atom 1051, because occupancy 0.4 <= existing 0.600001 Skipped atom 1053, because occupancy 0.4 <= existing 0.600001 # found chain 1jatA in template set T0187 104 :RLDVIASGP 1jatA 107 :SIQALLASP 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 # 1muyA.105.107 read from T0187.t2k.frag # found chain 1muyA in template set T0187 105 :LDVIASGPA 1muyA 108 :FEEVAALPG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26265 Ang P9.O and A10.CB neighbor-bump: 2.52856 Ang P9.C and A10.CB Number of specific fragments= 1 total=1900 # 1mun.105.107 read from T0187.t2k.frag # found chain 1mun in template set T0187 105 :LDVIASGPA 1mun 108 :FEEVAALPG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.23839 Ang P9.O and A10.CB neighbor-bump: 2.50775 Ang P9.C and A10.CB Number of specific fragments= 1 total=1901 # 1jatA.105.109 read from T0187.t2k.frag # found chain 1jatA in template set T0187 105 :LDVIASGPA 1jatA 108 :IQALLASPN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1902 # 1gylA.105.112 read from T0187.t2k.frag # found chain 1gylA in template set T0187 105 :LDVIASGPA 1gylA 113 :VEEVASTGP Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.12625 Ang G8.O and P9.CD neighbor-bump: 0.203079 Ang G8.C and P9.CD neighbor-bump: 2.50454 Ang G8.N and P9.CD neighbor-bump: 1.57025 Ang G8.CA and P9.CD neighbor-bump: 0.655266 Ang G8.O and P9.CG neighbor-bump: 1.60814 Ang G8.C and P9.CG neighbor-bump: 2.94007 Ang G8.CA and P9.CG neighbor-bump: 2.07092 Ang G8.O and P9.CB neighbor-bump: 2.43928 Ang G8.C and P9.CB self-bump: 1.38181 Ang D3.CA and D3.CB Number of specific fragments= 1 total=1903 # 1jbbA.105.107 read from T0187.t2k.frag # found chain 1jbbA in training set T0187 105 :LDVIASGPA 1jbbA 108 :IQALLASPN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1904 # 1qq1A.105.110 read from T0187.t2k.frag # found chain 1qq1A in template set T0187 105 :LDVIASGPA 1qq1A 218 :AAVVATLKQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1905 # 1muyA.106.108 read from T0187.t2k.frag # found chain 1muyA in template set T0187 106 :DVIASGPAW 1muyA 109 :EEVAALPGV Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84867 Ang I4.CG1 and W10.CH2 other bump:2.73182 Ang I4.CD1 and W10.CH2 other bump:2.14698 Ang A5.CA and W10.CZ3 other bump:3.05873 Ang I4.C and W10.CZ3 other bump:2.40907 Ang A5.N and W10.CZ3 other bump:2.54668 Ang A5.CB and W10.CZ3 other bump:3.1021 Ang I4.CG1 and W10.CZ3 other bump:2.6128 Ang I4.CD1 and W10.CZ2 other bump:2.27763 Ang A5.CA and W10.CE3 other bump:3.23574 Ang A5.C and W10.CE3 other bump:2.70464 Ang I4.O and W10.CE3 other bump:2.92091 Ang I4.C and W10.CE3 other bump:2.73512 Ang A5.N and W10.CE3 neighbor-bump: 2.26265 Ang P8.O and A9.CB neighbor-bump: 2.52856 Ang P8.C and A9.CB Number of specific fragments= 1 total=1906 # 1mun.106.108 read from T0187.t2k.frag # found chain 1mun in template set T0187 106 :DVIASGPAW 1mun 109 :EEVAALPGV Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.846 Ang I4.CG1 and W10.CH2 other bump:2.68267 Ang I4.CD1 and W10.CH2 other bump:2.49716 Ang A5.N and W10.CZ3 other bump:2.26403 Ang A5.CA and W10.CZ3 other bump:2.57585 Ang A5.CB and W10.CZ3 other bump:3.07281 Ang I4.C and W10.CZ3 other bump:3.01774 Ang I4.CG1 and W10.CZ3 other bump:2.68148 Ang I4.CD1 and W10.CZ2 other bump:2.80361 Ang A5.N and W10.CE3 other bump:2.36249 Ang A5.CA and W10.CE3 other bump:2.71904 Ang I4.O and W10.CE3 other bump:2.9392 Ang I4.C and W10.CE3 neighbor-bump: 2.2384 Ang P8.O and A9.CB neighbor-bump: 2.50775 Ang P8.C and A9.CB Number of specific fragments= 1 total=1907 # 1jatA.106.110 read from T0187.t2k.frag # found chain 1jatA in template set T0187 106 :DVIASGPAW 1jatA 109 :QALLASPNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1908 # 1jbbA.106.108 read from T0187.t2k.frag # found chain 1jbbA in training set T0187 106 :DVIASGPAW 1jbbA 109 :QALLASPNP 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 # 1gylA.106.113 read from T0187.t2k.frag # found chain 1gylA in template set T0187 106 :DVIASGPAW 1gylA 114 :EEVASTGPG Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62829 Ang P8.O and W10.NE1 other bump:2.17904 Ang P8.O and W10.CD1 neighbor-bump: 1.12625 Ang G7.O and P8.CD neighbor-bump: 0.203079 Ang G7.C and P8.CD neighbor-bump: 2.50454 Ang G7.N and P8.CD neighbor-bump: 1.57025 Ang G7.CA and P8.CD neighbor-bump: 0.655266 Ang G7.O and P8.CG neighbor-bump: 1.60814 Ang G7.C and P8.CG neighbor-bump: 2.94007 Ang G7.CA and P8.CG neighbor-bump: 2.07092 Ang G7.O and P8.CB neighbor-bump: 2.43928 Ang G7.C and P8.CB self-bump: 1.38181 Ang D2.CA and D2.CB Number of specific fragments= 1 total=1910 # 1tsp.106.111 read from T0187.t2k.frag # found chain 1tsp in template set T0187 106 :DVIASGPAW 1tsp 219 :AVVATLKQS Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90153 Ang P8.N and W10.CH2 other bump:2.00732 Ang P8.CG and W10.CH2 other bump:2.80508 Ang P8.CD and W10.CH2 other bump:3.06304 Ang P8.CB and W10.CH2 other bump:2.38491 Ang P8.O and W10.CZ3 other bump:2.41051 Ang P8.C and W10.CZ3 other bump:2.46126 Ang P8.N and W10.CZ3 other bump:2.27125 Ang P8.CA and W10.CZ3 other bump:0.958778 Ang P8.CG and W10.CZ3 other bump:2.3452 Ang P8.CD and W10.CZ3 other bump:1.90205 Ang P8.CB and W10.CZ3 other bump:2.82844 Ang P8.CG and W10.CZ2 other bump:2.56499 Ang P8.O and W10.CE3 other bump:2.53034 Ang P8.C and W10.CE3 neighbor-bump: 3.11565 Ang A9.N and W10.CE3 other bump:2.95081 Ang P8.CA and W10.CE3 other bump:1.34029 Ang P8.CG and W10.CE3 other bump:2.31825 Ang P8.CD and W10.CE3 other bump:2.39513 Ang P8.CB and W10.CE3 other bump:2.91492 Ang P8.CG and W10.CE2 other bump:3.06926 Ang P8.CD and W10.CE2 other bump:2.39068 Ang P8.CG and W10.CD2 other bump:2.73852 Ang P8.CD and W10.CD2 Number of specific fragments= 1 total=1911 # 1jatA.107.111 read from T0187.t2k.frag # found chain 1jatA in template set T0187 107 :VIASGPAWP 1jatA 110 :ALLASPNPN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.39895 Ang W9.CA and P10.CD neighbor-bump: 2.04656 Ang W9.C and P10.CD self-bump: 1.30732 Ang P10.N and P10.CD other bump:2.89163 Ang A8.C and P10.CD neighbor-bump: 2.24469 Ang W9.N and P10.CD self-bump: 2.17129 Ang P10.N and P10.CG Number of specific fragments= 1 total=1912 # 1jbbA.107.109 read from T0187.t2k.frag # found chain 1jbbA in training set T0187 107 :VIASGPAWP 1jbbA 110 :ALLASPNPN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94598 Ang A8.C and P10.CD neighbor-bump: 2.27194 Ang W9.N and P10.CD neighbor-bump: 2.41291 Ang W9.CA and P10.CD neighbor-bump: 2.07459 Ang W9.C and P10.CD self-bump: 1.31584 Ang P10.N and P10.CD self-bump: 2.18274 Ang P10.N and P10.CG Number of specific fragments= 1 total=1913 # 1muyA.107.109 read from T0187.t2k.frag # found chain 1muyA in template set T0187 107 :VIASGPAWP 1muyA 110 :EVAALPGVG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39284 Ang P10.N and P10.CD other bump:3.14165 Ang I3.CG1 and W9.NE1 other bump:2.84566 Ang I3.CD1 and W9.NE1 neighbor-bump: 2.26265 Ang P7.O and A8.CB neighbor-bump: 2.52856 Ang P7.C and A8.CB Number of specific fragments= 1 total=1914 # 1mun.107.109 read from T0187.t2k.frag # found chain 1mun in template set T0187 107 :VIASGPAWP 1mun 110 :EVAALPGVG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86912 Ang I3.CD1 and W9.NE1 neighbor-bump: 2.2384 Ang P7.O and A8.CB neighbor-bump: 2.50775 Ang P7.C and A8.CB Number of specific fragments= 1 total=1915 # 1tsp.107.112 read from T0187.t2k.frag # found chain 1tsp in template set T0187 107 :VIASGPAWP 1tsp 220 :VVATLKQSK Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90154 Ang P7.N and W9.CH2 other bump:3.06306 Ang P7.CB and W9.CH2 other bump:2.00733 Ang P7.CG and W9.CH2 other bump:2.80509 Ang P7.CD and W9.CH2 other bump:2.38491 Ang P7.O and W9.CZ3 other bump:2.41052 Ang P7.C and W9.CZ3 other bump:2.46126 Ang P7.N and W9.CZ3 other bump:2.27126 Ang P7.CA and W9.CZ3 other bump:1.90207 Ang P7.CB and W9.CZ3 other bump:0.958788 Ang P7.CG and W9.CZ3 other bump:2.3452 Ang P7.CD and W9.CZ3 other bump:2.82845 Ang P7.CG and W9.CZ2 other bump:2.56498 Ang P7.O and W9.CE3 other bump:2.53035 Ang P7.C and W9.CE3 neighbor-bump: 3.11565 Ang A8.N and W9.CE3 other bump:2.95081 Ang P7.CA and W9.CE3 other bump:2.39513 Ang P7.CB and W9.CE3 other bump:1.34029 Ang P7.CG and W9.CE3 other bump:2.31825 Ang P7.CD and W9.CE3 other bump:2.91493 Ang P7.CG and W9.CE2 other bump:3.06927 Ang P7.CD and W9.CE2 other bump:2.39068 Ang P7.CG and W9.CD2 other bump:2.73852 Ang P7.CD and W9.CD2 Number of specific fragments= 1 total=1916 # 1qq1A.107.112 read from T0187.t2k.frag # found chain 1qq1A in template set T0187 107 :VIASGPAWP 1qq1A 220 :VVATLKQSK Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.95783 Ang P7.N and W9.CH2 other bump:3.26357 Ang P7.CA and W9.CH2 other bump:2.8668 Ang P7.CB and W9.CH2 other bump:1.77597 Ang P7.CG and W9.CH2 other bump:2.83311 Ang P7.CD and W9.CH2 other bump:2.66712 Ang P7.O and W9.CZ3 other bump:2.49 Ang P7.C and W9.CZ3 other bump:2.61017 Ang P7.N and W9.CZ3 other bump:2.27523 Ang P7.CA and W9.CZ3 other bump:1.72603 Ang P7.CB and W9.CZ3 other bump:0.7468 Ang P7.CG and W9.CZ3 other bump:2.23272 Ang P7.CD and W9.CZ3 other bump:2.64958 Ang P7.CG and W9.CZ2 other bump:2.86148 Ang P7.O and W9.CE3 other bump:2.64775 Ang P7.C and W9.CE3 neighbor-bump: 3.09502 Ang A8.N and W9.CE3 other bump:3.01571 Ang P7.CA and W9.CE3 other bump:2.35937 Ang P7.CB and W9.CE3 other bump:1.36368 Ang P7.CG and W9.CE3 other bump:2.05943 Ang P7.CD and W9.CE3 other bump:2.81537 Ang P7.CG and W9.CE2 other bump:3.00996 Ang P7.CD and W9.CE2 other bump:2.37822 Ang P7.CG and W9.CD2 other bump:2.53707 Ang P7.CD and W9.CD2 Number of specific fragments= 1 total=1917 # 1jatA.108.112 read from T0187.t2k.frag # found chain 1jatA in template set T0187 108 :IASGPAWPD 1jatA 111 :LLASPNPND Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.39894 Ang W8.CA and P9.CD neighbor-bump: 2.04655 Ang W8.C and P9.CD self-bump: 1.30732 Ang P9.N and P9.CD neighbor-bump: 2.24469 Ang W8.N and P9.CD other bump:2.89162 Ang A7.C and P9.CD self-bump: 2.17128 Ang P9.N and P9.CG Number of specific fragments= 1 total=1918 # 1jbbA.108.110 read from T0187.t2k.frag # found chain 1jbbA in training set T0187 108 :IASGPAWPD 1jbbA 111 :LLASPNPND Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94597 Ang A7.C and P9.CD neighbor-bump: 2.27193 Ang W8.N and P9.CD neighbor-bump: 2.4129 Ang W8.CA and P9.CD neighbor-bump: 2.07459 Ang W8.C and P9.CD self-bump: 1.31584 Ang P9.N and P9.CD self-bump: 2.18274 Ang P9.N and P9.CG Number of specific fragments= 1 total=1919 # 1muyA.108.110 read from T0187.t2k.frag # found chain 1muyA in template set T0187 108 :IASGPAWPD 1muyA 111 :VAALPGVGR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.14165 Ang I2.CG1 and W8.NE1 other bump:2.84566 Ang I2.CD1 and W8.NE1 neighbor-bump: 2.26265 Ang P6.O and A7.CB neighbor-bump: 2.52856 Ang P6.C and A7.CB Number of specific fragments= 1 total=1920 # 1mun.108.110 read from T0187.t2k.frag # found chain 1mun in template set T0187 108 :IASGPAWPD 1mun 111 :VAALPGVGR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86912 Ang I2.CD1 and W8.NE1 neighbor-bump: 2.2384 Ang P6.O and A7.CB neighbor-bump: 2.50775 Ang P6.C and A7.CB Number of specific fragments= 1 total=1921 # 1gcvA.108.108 read from T0187.t2k.frag # adding 1gcvA to template set 1gcvA:# found chain 1gcvA in template set T0187 108 :IASGPAWPD 1gcvA 109 :LATHLTEFS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.02352 Ang W8.C and P9.CD other bump:2.96129 Ang P6.CG and P9.CG neighbor-bump: 2.53059 Ang W8.O and P9.CG neighbor-bump: 2.47404 Ang W8.C and P9.CG self-bump: 1.39657 Ang P9.CA and P9.CB other bump:2.55118 Ang I2.C and P6.CD other bump:1.36073 Ang I2.O and P6.CD other bump:2.86906 Ang I2.C and P6.CG other bump:1.82201 Ang I2.O and P6.CG Number of specific fragments= 1 total=1922 # 1qtqA.108.113 read from T0187.t2k.frag # adding 1qtqA to template set 1qtqA:Skipped atom 3541, because occupancy 1 <= existing 1 # found chain 1qtqA in template set T0187 108 :IASGPAWPD 1qtqA 114 :INKGLAYVD Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62206 Ang W8.CH2 and D10.OD2 other bump:2.73255 Ang W8.CH2 and D10.OD1 other bump:2.80135 Ang W8.CZ3 and D10.OD1 other bump:2.38388 Ang W8.CH2 and D10.CG other bump:2.72847 Ang W8.CZ3 and D10.CG other bump:2.85852 Ang W8.CH2 and D10.CB other bump:2.70454 Ang W8.CZ3 and D10.CB other bump:3.36991 Ang W8.CE3 and D10.CA other bump:2.76779 Ang W8.CZ3 and D10.CA neighbor-bump: 3.08499 Ang W8.CE3 and P9.C neighbor-bump: 2.76804 Ang W8.CE3 and P9.O other bump:2.58611 Ang G1.O and P6.CD other bump:2.99738 Ang S4.CA and P6.CD other bump:2.03977 Ang S4.O and P6.CD other bump:1.86461 Ang S4.C and P6.CD neighbor-bump: 1.88362 Ang G5.N and P6.CD neighbor-bump: 2.15118 Ang G5.CA and P6.CD neighbor-bump: 1.79642 Ang G5.C and P6.CD self-bump: 1.27215 Ang P6.N and P6.CD other bump:3.04422 Ang S4.CB and P6.CG other bump:2.44356 Ang S4.OG and P6.CG other bump:2.32607 Ang S4.O and P6.CG other bump:2.62919 Ang S4.C and P6.CG self-bump: 2.12748 Ang P6.N and P6.CG Number of specific fragments= 1 total=1923 # 1jatA.109.113 read from T0187.t2k.frag # found chain 1jatA in template set T0187 109 :ASGPAWPDS 1jatA 112 :LASPNPNDP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.39894 Ang W7.CA and P8.CD neighbor-bump: 2.04655 Ang W7.C and P8.CD self-bump: 1.30732 Ang P8.N and P8.CD other bump:2.89162 Ang A6.C and P8.CD neighbor-bump: 2.24469 Ang W7.N and P8.CD self-bump: 2.17128 Ang P8.N and P8.CG Number of specific fragments= 1 total=1924 # 1jbbA.109.111 read from T0187.t2k.frag # found chain 1jbbA in training set T0187 109 :ASGPAWPDS 1jbbA 112 :LASPNPNDP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.27193 Ang W7.N and P8.CD neighbor-bump: 2.4129 Ang W7.CA and P8.CD other bump:2.94597 Ang A6.C and P8.CD neighbor-bump: 2.07459 Ang W7.C and P8.CD self-bump: 1.31584 Ang P8.N and P8.CD self-bump: 2.18274 Ang P8.N and P8.CG Number of specific fragments= 1 total=1925 # 1muyA.109.111 read from T0187.t2k.frag # found chain 1muyA in template set T0187 109 :ASGPAWPDS 1muyA 112 :AALPGVGRS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.07643 Ang W7.CE3 and G11.CA other bump:2.72936 Ang W7.CZ2 and G11.CA other bump:2.4569 Ang W7.CZ3 and G11.CA other bump:2.25272 Ang W7.CH2 and G11.CA neighbor-bump: 2.26265 Ang P5.O and A6.CB neighbor-bump: 2.52856 Ang P5.C and A6.CB Number of specific fragments= 1 total=1926 # 1mun.109.111 read from T0187.t2k.frag # found chain 1mun in template set T0187 109 :ASGPAWPDS 1mun 112 :AALPGVGRS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87082 Ang W7.CE3 and G11.CA other bump:2.62973 Ang W7.CZ2 and G11.CA other bump:2.20773 Ang W7.CZ3 and G11.CA other bump:2.06227 Ang W7.CH2 and G11.CA neighbor-bump: 2.2384 Ang P5.O and A6.CB neighbor-bump: 2.50775 Ang P5.C and A6.CB Number of specific fragments= 1 total=1927 # 1gcvA.109.109 read from T0187.t2k.frag # found chain 1gcvA in template set T0187 109 :ASGPAWPDS 1gcvA 110 :ATHLTEFSP Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.02352 Ang W7.C and P8.CD other bump:2.96129 Ang P5.CG and P8.CG neighbor-bump: 2.53059 Ang W7.O and P8.CG neighbor-bump: 2.47404 Ang W7.C and P8.CG self-bump: 1.39657 Ang P8.CA and P8.CB other bump:2.55118 Ang G1.C and P5.CD other bump:1.36073 Ang G1.O and P5.CD other bump:2.86906 Ang G1.C and P5.CG other bump:1.82201 Ang G1.O and P5.CG Number of specific fragments= 1 total=1928 # 1qtqA.109.114 read from T0187.t2k.frag # found chain 1qtqA in template set T0187 109 :ASGPAWPDS 1qtqA 115 :NKGLAYVDE Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62206 Ang W7.CH2 and D9.OD2 other bump:2.73255 Ang W7.CH2 and D9.OD1 other bump:2.80135 Ang W7.CZ3 and D9.OD1 other bump:2.38388 Ang W7.CH2 and D9.CG other bump:2.72847 Ang W7.CZ3 and D9.CG other bump:2.85852 Ang W7.CH2 and D9.CB other bump:2.70454 Ang W7.CZ3 and D9.CB other bump:3.36991 Ang W7.CE3 and D9.CA other bump:2.76779 Ang W7.CZ3 and D9.CA neighbor-bump: 3.08499 Ang W7.CE3 and P8.C neighbor-bump: 2.76804 Ang W7.CE3 and P8.O other bump:2.99738 Ang S3.CA and P5.CD other bump:2.03977 Ang S3.O and P5.CD other bump:1.86461 Ang S3.C and P5.CD neighbor-bump: 1.88362 Ang G4.N and P5.CD neighbor-bump: 2.15118 Ang G4.CA and P5.CD neighbor-bump: 1.79642 Ang G4.C and P5.CD self-bump: 1.27215 Ang P5.N and P5.CD other bump:3.04422 Ang S3.CB and P5.CG other bump:2.44356 Ang S3.OG and P5.CG other bump:2.32607 Ang S3.O and P5.CG other bump:2.62919 Ang S3.C and P5.CG self-bump: 2.12748 Ang P5.N and P5.CG Number of specific fragments= 1 total=1929 # 1jatA.110.114 read from T0187.t2k.frag # found chain 1jatA in template set T0187 110 :SGPAWPDSS 1jatA 113 :ASPNPNDPL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.39894 Ang W6.CA and P7.CD neighbor-bump: 2.04655 Ang W6.C and P7.CD self-bump: 1.30732 Ang P7.N and P7.CD other bump:2.89162 Ang A5.C and P7.CD neighbor-bump: 2.24469 Ang W6.N and P7.CD self-bump: 2.17128 Ang P7.N and P7.CG Number of specific fragments= 1 total=1930 # 1jbbA.110.112 read from T0187.t2k.frag # found chain 1jbbA in training set T0187 110 :SGPAWPDSS 1jbbA 113 :ASPNPNDPL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94597 Ang A5.C and P7.CD neighbor-bump: 2.27193 Ang W6.N and P7.CD neighbor-bump: 2.4129 Ang W6.CA and P7.CD neighbor-bump: 2.07459 Ang W6.C and P7.CD self-bump: 1.31584 Ang P7.N and P7.CD self-bump: 2.18274 Ang P7.N and P7.CG Number of specific fragments= 1 total=1931 # 1muyA.110.112 read from T0187.t2k.frag # found chain 1muyA in template set T0187 110 :SGPAWPDSS 1muyA 113 :ALPGVGRST Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04079 Ang W6.CE2 and G11.CA other bump:1.9367 Ang W6.NE1 and G11.CA other bump:1.9647 Ang W6.CZ2 and G11.CA other bump:3.28388 Ang W6.CH2 and G11.CA other bump:1.80704 Ang W6.CE2 and G11.N other bump:2.33247 Ang W6.NE1 and G11.N other bump:2.8266 Ang W6.CD2 and G11.N other bump:1.6636 Ang W6.CZ2 and G11.N other bump:2.60007 Ang W6.CH2 and G11.N other bump:2.17718 Ang W6.CE2 and S10.C other bump:2.90862 Ang W6.CD2 and S10.C other bump:3.00909 Ang W6.CE3 and S10.C other bump:1.33026 Ang W6.CZ2 and S10.C other bump:2.4341 Ang W6.CZ3 and S10.C other bump:1.51131 Ang W6.CH2 and S10.C other bump:2.56899 Ang W6.CE2 and S10.O other bump:1.22456 Ang W6.CZ2 and S10.O other bump:2.42428 Ang W6.CZ3 and S10.O other bump:1.04325 Ang W6.CH2 and S10.O other bump:3.15722 Ang W6.CE3 and S10.OG other bump:2.968 Ang W6.CZ3 and S10.OG other bump:2.77627 Ang W6.CD2 and S10.CB other bump:2.10354 Ang W6.CE3 and S10.CB other bump:1.98993 Ang W6.CZ3 and S10.CB other bump:2.63629 Ang W6.CH2 and S10.CB other bump:3.07643 Ang W6.CE3 and S10.CA other bump:2.72936 Ang W6.CZ2 and S10.CA other bump:2.4569 Ang W6.CZ3 and S10.CA other bump:2.25272 Ang W6.CH2 and S10.CA neighbor-bump: 2.26265 Ang P4.O and A5.CB neighbor-bump: 2.52856 Ang P4.C and A5.CB Number of specific fragments= 1 total=1932 # 1gcvA.110.110 read from T0187.t2k.frag # found chain 1gcvA in template set T0187 110 :SGPAWPDSS 1gcvA 111 :THLTEFSPD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.02352 Ang W6.C and P7.CD other bump:2.96129 Ang P4.CG and P7.CG neighbor-bump: 2.53059 Ang W6.O and P7.CG neighbor-bump: 2.47404 Ang W6.C and P7.CG self-bump: 1.39657 Ang P7.CA and P7.CB Number of specific fragments= 1 total=1933 # 1mun.110.112 read from T0187.t2k.frag # found chain 1mun in template set T0187 110 :SGPAWPDSS 1mun 113 :ALPGVGRST Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.90455 Ang W6.CE2 and G11.CA other bump:1.8159 Ang W6.NE1 and G11.CA other bump:1.87073 Ang W6.CZ2 and G11.CA other bump:3.20522 Ang W6.CH2 and G11.CA other bump:1.66584 Ang W6.CE2 and G11.N other bump:2.25156 Ang W6.NE1 and G11.N other bump:2.69137 Ang W6.CD2 and G11.N other bump:1.53946 Ang W6.CZ2 and G11.N other bump:2.48902 Ang W6.CH2 and G11.N other bump:2.065 Ang W6.CE2 and S10.C other bump:2.77125 Ang W6.CD2 and S10.C other bump:2.85038 Ang W6.CE3 and S10.C other bump:1.20459 Ang W6.CZ2 and S10.C other bump:2.26995 Ang W6.CZ3 and S10.C other bump:1.34643 Ang W6.CH2 and S10.C other bump:2.4194 Ang W6.CE2 and S10.O other bump:1.07288 Ang W6.CZ2 and S10.O other bump:2.30472 Ang W6.CZ3 and S10.O other bump:0.905993 Ang W6.CH2 and S10.O other bump:3.02316 Ang W6.CE3 and S10.OG other bump:2.81396 Ang W6.CZ3 and S10.OG other bump:2.69034 Ang W6.CD2 and S10.CB other bump:1.92187 Ang W6.CE3 and S10.CB other bump:1.81566 Ang W6.CZ3 and S10.CB other bump:2.57077 Ang W6.CH2 and S10.CB other bump:2.87082 Ang W6.CE3 and S10.CA other bump:2.62973 Ang W6.CZ2 and S10.CA other bump:2.20773 Ang W6.CZ3 and S10.CA other bump:2.06227 Ang W6.CH2 and S10.CA neighbor-bump: 2.2384 Ang P4.O and A5.CB neighbor-bump: 2.50775 Ang P4.C and A5.CB Number of specific fragments= 1 total=1934 # 1qtqA.110.115 read from T0187.t2k.frag # found chain 1qtqA in template set T0187 110 :SGPAWPDSS 1qtqA 116 :KGLAYVDEL Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62206 Ang W6.CH2 and D8.OD2 other bump:2.73255 Ang W6.CH2 and D8.OD1 other bump:2.80135 Ang W6.CZ3 and D8.OD1 other bump:2.38388 Ang W6.CH2 and D8.CG other bump:2.72847 Ang W6.CZ3 and D8.CG other bump:2.85852 Ang W6.CH2 and D8.CB other bump:2.70454 Ang W6.CZ3 and D8.CB other bump:3.36991 Ang W6.CE3 and D8.CA other bump:2.76779 Ang W6.CZ3 and D8.CA neighbor-bump: 3.08499 Ang W6.CE3 and P7.C neighbor-bump: 2.76804 Ang W6.CE3 and P7.O other bump:2.99738 Ang S2.CA and P4.CD other bump:2.03977 Ang S2.O and P4.CD other bump:1.86461 Ang S2.C and P4.CD neighbor-bump: 1.88362 Ang G3.N and P4.CD neighbor-bump: 2.15118 Ang G3.CA and P4.CD neighbor-bump: 1.79642 Ang G3.C and P4.CD self-bump: 1.27215 Ang P4.N and P4.CD other bump:2.95892 Ang S2.CB and P4.CG other bump:2.32607 Ang S2.O and P4.CG other bump:2.62919 Ang S2.C and P4.CG self-bump: 2.12748 Ang P4.N and P4.CG Number of specific fragments= 1 total=1935 # 1jatA.111.115 read from T0187.t2k.frag # found chain 1jatA in template set T0187 111 :GPAWPDSST 1jatA 114 :SPNPNDPLA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.05921 Ang D7.OD1 and S9.OG neighbor-bump: 2.04655 Ang W5.C and P6.CD other bump:2.89162 Ang A4.C and P6.CD neighbor-bump: 2.24469 Ang W5.N and P6.CD neighbor-bump: 2.39894 Ang W5.CA and P6.CD self-bump: 1.30732 Ang P6.N and P6.CD self-bump: 2.17128 Ang P6.N and P6.CG Number of specific fragments= 1 total=1936 # 1jbbA.111.113 read from T0187.t2k.frag # found chain 1jbbA in training set T0187 111 :GPAWPDSST 1jbbA 114 :SPNPNDPLA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20313 Ang D7.OD1 and S9.OG neighbor-bump: 2.27193 Ang W5.N and P6.CD neighbor-bump: 2.4129 Ang W5.CA and P6.CD other bump:2.94597 Ang A4.C and P6.CD neighbor-bump: 2.07459 Ang W5.C and P6.CD self-bump: 1.31584 Ang P6.N and P6.CD self-bump: 2.18274 Ang P6.N and P6.CG Number of specific fragments= 1 total=1937 # 1gcvA.111.111 read from T0187.t2k.frag # found chain 1gcvA in template set T0187 111 :GPAWPDSST 1gcvA 112 :HLTEFSPDT Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75349 Ang W5.CZ3 and T10.OG1 neighbor-bump: 2.02352 Ang W5.C and P6.CD other bump:2.96129 Ang P3.CG and P6.CG neighbor-bump: 2.53059 Ang W5.O and P6.CG neighbor-bump: 2.47404 Ang W5.C and P6.CG self-bump: 1.39657 Ang P6.CA and P6.CB Number of specific fragments= 1 total=1938 # 1muyA.111.113 read from T0187.t2k.frag # found chain 1muyA in template set T0187 111 :GPAWPDSST 1muyA 114 :LPGVGRSTA Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7189 Ang W5.CZ2 and T10.C other bump:1.7424 Ang W5.CD1 and T10.OG1 other bump:2.61593 Ang W5.CE2 and T10.OG1 other bump:1.39881 Ang W5.NE1 and T10.OG1 other bump:2.90852 Ang W5.NE1 and T10.CG2 other bump:3.00235 Ang W5.CD1 and T10.CB other bump:2.88356 Ang W5.CE2 and T10.CB other bump:2.00181 Ang W5.NE1 and T10.CB other bump:2.04079 Ang W5.CE2 and T10.CA other bump:1.9367 Ang W5.NE1 and T10.CA other bump:1.9647 Ang W5.CZ2 and T10.CA other bump:3.28388 Ang W5.CH2 and T10.CA other bump:1.80704 Ang W5.CE2 and T10.N other bump:2.33247 Ang W5.NE1 and T10.N other bump:2.8266 Ang W5.CD2 and T10.N other bump:1.6636 Ang W5.CZ2 and T10.N other bump:2.60007 Ang W5.CH2 and T10.N other bump:2.17718 Ang W5.CE2 and S9.C other bump:2.90862 Ang W5.CD2 and S9.C other bump:3.00909 Ang W5.CE3 and S9.C other bump:2.4341 Ang W5.CZ3 and S9.C other bump:1.33026 Ang W5.CZ2 and S9.C other bump:1.51131 Ang W5.CH2 and S9.C other bump:2.56899 Ang W5.CE2 and S9.O other bump:2.42428 Ang W5.CZ3 and S9.O other bump:1.22456 Ang W5.CZ2 and S9.O other bump:1.04325 Ang W5.CH2 and S9.O other bump:3.15721 Ang W5.CE3 and S9.OG other bump:2.968 Ang W5.CZ3 and S9.OG other bump:2.77627 Ang W5.CD2 and S9.CB other bump:2.10354 Ang W5.CE3 and S9.CB other bump:1.98994 Ang W5.CZ3 and S9.CB other bump:2.6363 Ang W5.CH2 and S9.CB other bump:3.07643 Ang W5.CE3 and S9.CA other bump:2.4569 Ang W5.CZ3 and S9.CA other bump:2.72936 Ang W5.CZ2 and S9.CA other bump:2.25272 Ang W5.CH2 and S9.CA neighbor-bump: 2.26265 Ang P3.O and A4.CB neighbor-bump: 2.52856 Ang P3.C and A4.CB Number of specific fragments= 1 total=1939 # 1mun.111.113 read from T0187.t2k.frag # found chain 1mun in template set T0187 111 :GPAWPDSST 1mun 114 :LPGVGRSTA Fragment has 40 clashes (null) has 40 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.24104 Ang W5.CE2 and T10.C other bump:2.59404 Ang W5.CZ2 and T10.C other bump:1.63516 Ang W5.CD1 and T10.OG1 other bump:2.57355 Ang W5.CE2 and T10.OG1 other bump:1.36741 Ang W5.NE1 and T10.OG1 other bump:2.7987 Ang W5.NE1 and T10.CG2 other bump:2.87623 Ang W5.CD1 and T10.CB other bump:2.78388 Ang W5.CE2 and T10.CB other bump:1.88034 Ang W5.NE1 and T10.CB other bump:1.90455 Ang W5.CE2 and T10.CA other bump:1.8159 Ang W5.NE1 and T10.CA other bump:1.87073 Ang W5.CZ2 and T10.CA other bump:3.20522 Ang W5.CH2 and T10.CA other bump:1.66584 Ang W5.CE2 and T10.N other bump:2.25156 Ang W5.NE1 and T10.N other bump:2.69137 Ang W5.CD2 and T10.N other bump:1.53946 Ang W5.CZ2 and T10.N other bump:2.48902 Ang W5.CH2 and T10.N other bump:2.065 Ang W5.CE2 and S9.C other bump:2.77125 Ang W5.CD2 and S9.C other bump:2.85038 Ang W5.CE3 and S9.C other bump:1.20459 Ang W5.CZ2 and S9.C other bump:2.26995 Ang W5.CZ3 and S9.C other bump:1.34643 Ang W5.CH2 and S9.C other bump:2.4194 Ang W5.CE2 and S9.O other bump:1.07288 Ang W5.CZ2 and S9.O other bump:2.30472 Ang W5.CZ3 and S9.O other bump:0.905993 Ang W5.CH2 and S9.O other bump:3.02316 Ang W5.CE3 and S9.OG other bump:2.81396 Ang W5.CZ3 and S9.OG other bump:2.69034 Ang W5.CD2 and S9.CB other bump:1.92187 Ang W5.CE3 and S9.CB other bump:1.81566 Ang W5.CZ3 and S9.CB other bump:2.57077 Ang W5.CH2 and S9.CB other bump:2.87082 Ang W5.CE3 and S9.CA other bump:2.62973 Ang W5.CZ2 and S9.CA other bump:2.20773 Ang W5.CZ3 and S9.CA other bump:2.06227 Ang W5.CH2 and S9.CA neighbor-bump: 2.2384 Ang P3.O and A4.CB neighbor-bump: 2.50775 Ang P3.C and A4.CB Number of specific fragments= 1 total=1940 # 1b77A.111.113 read from T0187.t2k.frag # adding 1b77A to template set 1b77A:# found chain 1b77A in template set T0187 111 :GPAWPDSST 1b77A 114 :VITEIKAED Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00283 Ang W5.CZ3 and D7.OD2 other bump:2.7426 Ang W5.CE3 and D7.OD1 other bump:1.9228 Ang W5.CZ3 and D7.OD1 other bump:3.00994 Ang W5.CH2 and D7.OD1 other bump:2.67983 Ang W5.CZ3 and D7.CG neighbor-bump: 2.05056 Ang W5.C and P6.CD neighbor-bump: 2.84551 Ang W5.C and P6.CG neighbor-bump: 2.10925 Ang G2.C and P3.CD Number of specific fragments= 1 total=1941 # 1jatA.112.116 read from T0187.t2k.frag # found chain 1jatA in template set T0187 112 :PAWPDSSTS 1jatA 115 :PNPNDPLAN Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.05921 Ang D6.OD1 and S8.OG neighbor-bump: 2.04655 Ang W4.C and P5.CD other bump:2.89162 Ang A3.C and P5.CD neighbor-bump: 2.24469 Ang W4.N and P5.CD neighbor-bump: 2.39894 Ang W4.CA and P5.CD self-bump: 1.30732 Ang P5.N and P5.CD self-bump: 2.17128 Ang P5.N and P5.CG Number of specific fragments= 1 total=1942 # 1jbbA.112.114 read from T0187.t2k.frag # found chain 1jbbA in training set T0187 112 :PAWPDSSTS 1jbbA 115 :PNPNDPLAN Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20313 Ang D6.OD1 and S8.OG neighbor-bump: 2.27193 Ang W4.N and P5.CD neighbor-bump: 2.4129 Ang W4.CA and P5.CD neighbor-bump: 2.07459 Ang W4.C and P5.CD other bump:2.94597 Ang A3.C and P5.CD self-bump: 1.31584 Ang P5.N and P5.CD self-bump: 2.18274 Ang P5.N and P5.CG Number of specific fragments= 1 total=1943 # 1gcvA.112.112 read from T0187.t2k.frag # found chain 1gcvA in template set T0187 112 :PAWPDSSTS 1gcvA 113 :LTEFSPDTH Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75349 Ang W4.CZ3 and T9.OG1 neighbor-bump: 2.02352 Ang W4.C and P5.CD other bump:2.96129 Ang P2.CG and P5.CG neighbor-bump: 2.53059 Ang W4.O and P5.CG neighbor-bump: 2.47404 Ang W4.C and P5.CG self-bump: 1.39657 Ang P5.CA and P5.CB Number of specific fragments= 1 total=1944 # 1b77A.112.114 read from T0187.t2k.frag # found chain 1b77A in template set T0187 112 :PAWPDSSTS 1b77A 115 :ITEIKAEDL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00283 Ang W4.CZ3 and D6.OD2 other bump:2.7426 Ang W4.CE3 and D6.OD1 other bump:1.9228 Ang W4.CZ3 and D6.OD1 other bump:3.00994 Ang W4.CH2 and D6.OD1 other bump:2.67983 Ang W4.CZ3 and D6.CG neighbor-bump: 2.05056 Ang W4.C and P5.CD neighbor-bump: 2.84551 Ang W4.C and P5.CG neighbor-bump: 2.10926 Ang G1.C and P2.CD Number of specific fragments= 1 total=1945 # 1muyA.112.114 read from T0187.t2k.frag # found chain 1muyA in template set T0187 112 :PAWPDSSTS 1muyA 115 :PGVGRSTAG Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7189 Ang W4.CZ2 and T9.C other bump:1.7424 Ang W4.CD1 and T9.OG1 other bump:2.61592 Ang W4.CE2 and T9.OG1 other bump:1.39881 Ang W4.NE1 and T9.OG1 other bump:2.90852 Ang W4.NE1 and T9.CG2 other bump:3.00234 Ang W4.CD1 and T9.CB other bump:2.88356 Ang W4.CE2 and T9.CB other bump:2.0018 Ang W4.NE1 and T9.CB other bump:2.04079 Ang W4.CE2 and T9.CA other bump:1.9367 Ang W4.NE1 and T9.CA other bump:1.9647 Ang W4.CZ2 and T9.CA other bump:3.28388 Ang W4.CH2 and T9.CA other bump:1.80704 Ang W4.CE2 and T9.N other bump:2.33247 Ang W4.NE1 and T9.N other bump:1.6636 Ang W4.CZ2 and T9.N other bump:2.8266 Ang W4.CD2 and T9.N other bump:2.60007 Ang W4.CH2 and T9.N other bump:2.17718 Ang W4.CE2 and S8.C other bump:1.33026 Ang W4.CZ2 and S8.C other bump:2.90862 Ang W4.CD2 and S8.C other bump:3.00909 Ang W4.CE3 and S8.C other bump:2.4341 Ang W4.CZ3 and S8.C other bump:1.51131 Ang W4.CH2 and S8.C other bump:2.56899 Ang W4.CE2 and S8.O other bump:1.22456 Ang W4.CZ2 and S8.O other bump:2.42428 Ang W4.CZ3 and S8.O other bump:1.04325 Ang W4.CH2 and S8.O other bump:3.15721 Ang W4.CE3 and S8.OG other bump:2.968 Ang W4.CZ3 and S8.OG other bump:2.77627 Ang W4.CD2 and S8.CB other bump:2.10354 Ang W4.CE3 and S8.CB other bump:1.98994 Ang W4.CZ3 and S8.CB other bump:2.6363 Ang W4.CH2 and S8.CB other bump:2.72936 Ang W4.CZ2 and S8.CA other bump:3.07643 Ang W4.CE3 and S8.CA other bump:2.4569 Ang W4.CZ3 and S8.CA other bump:2.25272 Ang W4.CH2 and S8.CA neighbor-bump: 2.26265 Ang P2.O and A3.CB neighbor-bump: 2.52856 Ang P2.C and A3.CB Number of specific fragments= 1 total=1946 # 1mun.112.114 read from T0187.t2k.frag # found chain 1mun in template set T0187 112 :PAWPDSSTS 1mun 115 :PGVGRSTAG Fragment has 40 clashes (null) has 40 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.24104 Ang W4.CE2 and T9.C other bump:2.59404 Ang W4.CZ2 and T9.C other bump:1.63517 Ang W4.CD1 and T9.OG1 other bump:2.57355 Ang W4.CE2 and T9.OG1 other bump:1.36741 Ang W4.NE1 and T9.OG1 other bump:2.7987 Ang W4.NE1 and T9.CG2 other bump:2.87624 Ang W4.CD1 and T9.CB other bump:2.78389 Ang W4.CE2 and T9.CB other bump:1.88035 Ang W4.NE1 and T9.CB other bump:1.90455 Ang W4.CE2 and T9.CA other bump:1.8159 Ang W4.NE1 and T9.CA other bump:1.87073 Ang W4.CZ2 and T9.CA other bump:3.20522 Ang W4.CH2 and T9.CA other bump:1.66584 Ang W4.CE2 and T9.N other bump:2.25156 Ang W4.NE1 and T9.N other bump:1.53946 Ang W4.CZ2 and T9.N other bump:2.69137 Ang W4.CD2 and T9.N other bump:2.48902 Ang W4.CH2 and T9.N other bump:2.065 Ang W4.CE2 and S8.C other bump:1.20459 Ang W4.CZ2 and S8.C other bump:2.77125 Ang W4.CD2 and S8.C other bump:2.85038 Ang W4.CE3 and S8.C other bump:2.26995 Ang W4.CZ3 and S8.C other bump:1.34643 Ang W4.CH2 and S8.C other bump:2.4194 Ang W4.CE2 and S8.O other bump:1.07288 Ang W4.CZ2 and S8.O other bump:2.30472 Ang W4.CZ3 and S8.O other bump:0.905993 Ang W4.CH2 and S8.O other bump:3.02316 Ang W4.CE3 and S8.OG other bump:2.81396 Ang W4.CZ3 and S8.OG other bump:2.69034 Ang W4.CD2 and S8.CB other bump:1.92187 Ang W4.CE3 and S8.CB other bump:1.81566 Ang W4.CZ3 and S8.CB other bump:2.57077 Ang W4.CH2 and S8.CB other bump:2.62973 Ang W4.CZ2 and S8.CA other bump:2.87082 Ang W4.CE3 and S8.CA other bump:2.20773 Ang W4.CZ3 and S8.CA other bump:2.06227 Ang W4.CH2 and S8.CA neighbor-bump: 2.2384 Ang P2.O and A3.CB neighbor-bump: 2.50775 Ang P2.C and A3.CB Number of specific fragments= 1 total=1947 # 1jatA.113.117 read from T0187.t2k.frag # found chain 1jatA in template set T0187 113 :AWPDSSTSE 1jatA 116 :NPNDPLAND Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.05921 Ang D5.OD1 and S7.OG neighbor-bump: 2.39894 Ang W3.CA and P4.CD neighbor-bump: 2.04655 Ang W3.C and P4.CD self-bump: 1.30732 Ang P4.N and P4.CD other bump:2.89162 Ang A2.C and P4.CD neighbor-bump: 2.24469 Ang W3.N and P4.CD self-bump: 2.17128 Ang P4.N and P4.CG Number of specific fragments= 1 total=1948 # 1jbbA.113.115 read from T0187.t2k.frag # found chain 1jbbA in training set T0187 113 :AWPDSSTSE 1jbbA 116 :NPNDPLAND Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20313 Ang D5.OD1 and S7.OG other bump:2.94597 Ang A2.C and P4.CD neighbor-bump: 2.27193 Ang W3.N and P4.CD neighbor-bump: 2.4129 Ang W3.CA and P4.CD neighbor-bump: 2.07459 Ang W3.C and P4.CD self-bump: 1.31584 Ang P4.N and P4.CD self-bump: 2.18274 Ang P4.N and P4.CG Number of specific fragments= 1 total=1949 # 1b77A.113.115 read from T0187.t2k.frag # found chain 1b77A in template set T0187 113 :AWPDSSTSE 1b77A 116 :TEIKAEDLQ Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00283 Ang W3.CZ3 and D5.OD2 other bump:2.7426 Ang W3.CE3 and D5.OD1 other bump:1.9228 Ang W3.CZ3 and D5.OD1 other bump:3.00994 Ang W3.CH2 and D5.OD1 other bump:2.67983 Ang W3.CZ3 and D5.CG neighbor-bump: 2.05056 Ang W3.C and P4.CD neighbor-bump: 2.84551 Ang W3.C and P4.CG Number of specific fragments= 1 total=1950 # 1gcvA.113.113 read from T0187.t2k.frag # found chain 1gcvA in template set T0187 113 :AWPDSSTSE 1gcvA 114 :TEFSPDTHC Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75349 Ang W3.CZ3 and T8.OG1 neighbor-bump: 2.02352 Ang W3.C and P4.CD neighbor-bump: 2.53059 Ang W3.O and P4.CG neighbor-bump: 2.47404 Ang W3.C and P4.CG self-bump: 1.39657 Ang P4.CA and P4.CB Number of specific fragments= 1 total=1951 # 1fp3A.113.114 read from T0187.t2k.frag # adding 1fp3A to template set 1fp3A:# found chain 1fp3A in template set T0187 113 :AWPDSSTSE 1fp3A 115 :VKVQRSIFS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1952 # 1qtqA.113.118 read from T0187.t2k.frag # found chain 1qtqA in template set T0187 113 :AWPDSSTSE 1qtqA 119 :AYVDELTPE Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.28661 Ang S9.OG and E10.OE2 other bump:2.62206 Ang W3.CH2 and D5.OD2 other bump:2.73255 Ang W3.CH2 and D5.OD1 other bump:2.80135 Ang W3.CZ3 and D5.OD1 other bump:2.38388 Ang W3.CH2 and D5.CG other bump:2.72847 Ang W3.CZ3 and D5.CG other bump:2.85852 Ang W3.CH2 and D5.CB other bump:2.70454 Ang W3.CZ3 and D5.CB other bump:3.36991 Ang W3.CE3 and D5.CA other bump:2.76779 Ang W3.CZ3 and D5.CA neighbor-bump: 3.08499 Ang W3.CE3 and P4.C neighbor-bump: 2.76804 Ang W3.CE3 and P4.O Number of specific fragments= 1 total=1953 # 1jatA.114.118 read from T0187.t2k.frag # found chain 1jatA in template set T0187 114 :WPDSSTSED 1jatA 117 :PNDPLANDV Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.05921 Ang D4.OD1 and S6.OG neighbor-bump: 2.7935 Ang W2.CD2 and P3.CD neighbor-bump: 2.39894 Ang W2.CA and P3.CD neighbor-bump: 2.04656 Ang W2.C and P3.CD neighbor-bump: 2.86169 Ang W2.CE3 and P3.CD self-bump: 1.30732 Ang P3.N and P3.CD other bump:2.89163 Ang G1.C and P3.CD neighbor-bump: 2.24469 Ang W2.N and P3.CD neighbor-bump: 2.63327 Ang W2.CE3 and P3.CG neighbor-bump: 2.95839 Ang W2.CZ3 and P3.CG self-bump: 2.17128 Ang P3.N and P3.CG Number of specific fragments= 1 total=1954 # 1jbbA.114.116 read from T0187.t2k.frag # found chain 1jbbA in training set T0187 114 :WPDSSTSED 1jbbA 117 :PNDPLANDV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20313 Ang D4.OD1 and S6.OG other bump:2.94598 Ang G1.C and P3.CD neighbor-bump: 2.27194 Ang W2.N and P3.CD neighbor-bump: 2.41291 Ang W2.CA and P3.CD neighbor-bump: 2.07459 Ang W2.C and P3.CD self-bump: 1.31583 Ang P3.N and P3.CD self-bump: 2.18274 Ang P3.N and P3.CG Number of specific fragments= 1 total=1955 # 1b77A.114.116 read from T0187.t2k.frag # found chain 1b77A in template set T0187 114 :WPDSSTSED 1b77A 117 :EIKAEDLQQ Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00281 Ang W2.CZ3 and D4.OD2 other bump:2.74258 Ang W2.CE3 and D4.OD1 other bump:1.92279 Ang W2.CZ3 and D4.OD1 other bump:3.00993 Ang W2.CH2 and D4.OD1 other bump:2.6798 Ang W2.CZ3 and D4.CG neighbor-bump: 2.05055 Ang W2.C and P3.CD neighbor-bump: 2.84551 Ang W2.C and P3.CG Number of specific fragments= 1 total=1956 # 1fp3A.114.115 read from T0187.t2k.frag # found chain 1fp3A in template set T0187 114 :WPDSSTSED 1fp3A 116 :KVQRSIFSE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67862 Ang W2.CH2 and D4.OD2 other bump:2.84991 Ang W2.CH2 and D4.CG other bump:2.76033 Ang W2.CZ3 and D4.CB other bump:2.42077 Ang W2.CH2 and D4.CB Number of specific fragments= 1 total=1957 # 1gcvA.114.114 read from T0187.t2k.frag # found chain 1gcvA in template set T0187 114 :WPDSSTSED 1gcvA 115 :EFSPDTHCA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.25005 Ang W2.NE1 and D4.OD2 other bump:2.78118 Ang W2.CZ2 and D4.OD2 other bump:2.75854 Ang W2.CE2 and D4.OD2 other bump:2.39814 Ang W2.NE1 and D4.CG other bump:2.88917 Ang W2.NE1 and D4.CB neighbor-bump: 2.02352 Ang W2.C and P3.CD neighbor-bump: 2.53059 Ang W2.O and P3.CG neighbor-bump: 2.47404 Ang W2.C and P3.CG self-bump: 1.39657 Ang P3.CA and P3.CB Number of specific fragments= 1 total=1958 # 1qtqA.114.119 read from T0187.t2k.frag # found chain 1qtqA in template set T0187 114 :WPDSSTSED 1qtqA 120 :YVDELTPEQ Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.28661 Ang S8.OG and E9.OE2 other bump:2.62205 Ang W2.CH2 and D4.OD2 other bump:2.73255 Ang W2.CH2 and D4.OD1 other bump:2.80135 Ang W2.CZ3 and D4.OD1 other bump:2.38388 Ang W2.CH2 and D4.CG other bump:2.72847 Ang W2.CZ3 and D4.CG other bump:2.85851 Ang W2.CH2 and D4.CB other bump:2.70454 Ang W2.CZ3 and D4.CB other bump:3.36991 Ang W2.CE3 and D4.CA other bump:2.76779 Ang W2.CZ3 and D4.CA neighbor-bump: 3.08499 Ang W2.CE3 and P3.C neighbor-bump: 2.76805 Ang W2.CE3 and P3.O Number of specific fragments= 1 total=1959 # 1jatA.115.119 read from T0187.t2k.frag # found chain 1jatA in template set T0187 115 :PDSSTSEDA 1jatA 118 :NDPLANDVA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.05921 Ang D3.OD1 and S5.OG neighbor-bump: 2.04656 Ang G1.C and P2.CD self-bump: 1.30732 Ang P2.N and P2.CD self-bump: 2.17129 Ang P2.N and P2.CG Number of specific fragments= 1 total=1960 # 1jbbA.115.117 read from T0187.t2k.frag # found chain 1jbbA in training set T0187 115 :PDSSTSEDA 1jbbA 118 :NDPLANDVA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20313 Ang D3.OD1 and S5.OG neighbor-bump: 2.07459 Ang G1.C and P2.CD self-bump: 1.31584 Ang P2.N and P2.CD self-bump: 2.18274 Ang P2.N and P2.CG Number of specific fragments= 1 total=1961 # 1e3oC.115.122 read from T0187.t2k.frag # adding 1e3oC to template set 1e3oC:# found chain 1e3oC in template set T0187 115 :PDSSTSEDA 1e3oC 123 :NQKPTSEDI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1962 # 1b77A.115.117 read from T0187.t2k.frag # found chain 1b77A in template set T0187 115 :PDSSTSEDA 1b77A 118 :IKAEDLQQL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.05055 Ang G1.C and P2.CD neighbor-bump: 2.84551 Ang G1.C and P2.CG Number of specific fragments= 1 total=1963 # 1fp3A.115.116 read from T0187.t2k.frag # found chain 1fp3A in template set T0187 115 :PDSSTSEDA 1fp3A 117 :VQRSIFSEC Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.04783 Ang G1.C and P2.CD Number of specific fragments= 1 total=1964 # 1octC.115.117 read from T0187.t2k.frag # adding 1octC to template set 1octC:# found chain 1octC in template set T0187 115 :PDSSTSEDA 1octC 123 :NQKPTSEEI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.1139 Ang G1.C and P2.CD Number of specific fragments= 1 total=1965 # 1e3oC.116.123 read from T0187.t2k.frag # found chain 1e3oC in template set T0187 116 :DSSTSEDAL 1e3oC 124 :QKPTSEDIT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1966 # 1jatA.116.120 read from T0187.t2k.frag # found chain 1jatA in template set T0187 116 :DSSTSEDAL 1jatA 119 :DPLANDVAE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.05921 Ang D2.OD1 and S4.OG Number of specific fragments= 1 total=1967 # 1jbbA.116.118 read from T0187.t2k.frag # found chain 1jbbA in training set T0187 116 :DSSTSEDAL 1jbbA 119 :DPLANDVAE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20313 Ang D2.OD1 and S4.OG Number of specific fragments= 1 total=1968 # 1octC.116.118 read from T0187.t2k.frag # found chain 1octC in template set T0187 116 :DSSTSEDAL 1octC 124 :QKPTSEEIT 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 # 1b77A.116.118 read from T0187.t2k.frag # found chain 1b77A in template set T0187 116 :DSSTSEDAL 1b77A 119 :KAEDLQQLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1970 # 1fp3A.116.117 read from T0187.t2k.frag # found chain 1fp3A in template set T0187 116 :DSSTSEDAL 1fp3A 118 :QRSIFSECF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1971 # 1e3oC.117.124 read from T0187.t2k.frag # found chain 1e3oC in template set T0187 117 :SSTSEDALK 1e3oC 125 :KPTSEDITL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1972 # 1octC.117.119 read from T0187.t2k.frag # found chain 1octC in template set T0187 117 :SSTSEDALK 1octC 125 :KPTSEEITM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1973 # 1jatA.117.121 read from T0187.t2k.frag # found chain 1jatA in template set T0187 117 :SSTSEDALK 1jatA 120 :PLANDVAED Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1974 # 1b77A.117.119 read from T0187.t2k.frag # found chain 1b77A in template set T0187 117 :SSTSEDALK 1b77A 120 :AEDLQQLLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1975 # 1a41.117.121 read from T0187.t2k.frag # adding 1a41 to template set 1a41:# found chain 1a41 in template set T0187 117 :SSTSEDALK 1a41 202 :KLSERKVYE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62661 Ang E6.CD and K10.CE other bump:1.61338 Ang E6.OE2 and K10.CE neighbor-bump: 2.22442 Ang S3.O and T4.CG2 neighbor-bump: 2.76791 Ang S3.C and T4.CG2 Number of specific fragments= 1 total=1976 # 1jbbA.117.119 read from T0187.t2k.frag # found chain 1jbbA in training set T0187 117 :SSTSEDALK 1jbbA 120 :PLANDVAED Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1977 # 1e3oC.118.125 read from T0187.t2k.frag # found chain 1e3oC in template set T0187 118 :STSEDALKV 1e3oC 126 :PTSEDITLI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.13905 Ang S2.OG and D6.CB Number of specific fragments= 1 total=1978 # 1octC.118.120 read from T0187.t2k.frag # found chain 1octC in template set T0187 118 :STSEDALKV 1octC 126 :PTSEEITMI 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 # 1b77A.118.120 read from T0187.t2k.frag # found chain 1b77A in template set T0187 118 :STSEDALKV 1b77A 121 :EDLQQLLRV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1980 # 1a41.118.122 read from T0187.t2k.frag # found chain 1a41 in template set T0187 118 :STSEDALKV 1a41 203 :LSERKVYEC Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62659 Ang E5.CD and K9.CE other bump:1.61334 Ang E5.OE2 and K9.CE neighbor-bump: 2.22442 Ang S2.O and T3.CG2 neighbor-bump: 2.76791 Ang S2.C and T3.CG2 Number of specific fragments= 1 total=1981 # 1jatA.118.122 read from T0187.t2k.frag # found chain 1jatA in template set T0187 118 :STSEDALKV 1jatA 121 :LANDVAEDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1982 # 1jbbA.118.120 read from T0187.t2k.frag # found chain 1jbbA in training set T0187 118 :STSEDALKV 1jbbA 121 :LANDVAEDW 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 # 1e3oC.119.126 read from T0187.t2k.frag # found chain 1e3oC in template set T0187 119 :TSEDALKVL 1e3oC 127 :TSEDITLIA 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 # 1b77A.119.121 read from T0187.t2k.frag # found chain 1b77A in template set T0187 119 :TSEDALKVL 1b77A 122 :DLQQLLRVS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45227 Ang A6.O and L10.CG Number of specific fragments= 1 total=1985 # 1a41.119.123 read from T0187.t2k.frag # found chain 1a41 in template set T0187 119 :TSEDALKVL 1a41 204 :SERKVYECI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62659 Ang E4.CD and K8.CE other bump:1.61335 Ang E4.OE2 and K8.CE neighbor-bump: 2.22702 Ang G1.O and T2.CG2 neighbor-bump: 2.7863 Ang G1.C and T2.CG2 Number of specific fragments= 1 total=1986 # 1octC.119.121 read from T0187.t2k.frag # found chain 1octC in template set T0187 119 :TSEDALKVL 1octC 127 :TSEEITMIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1987 # 1dvpA.119.124 read from T0187.t2k.frag # adding 1dvpA to template set 1dvpA:# found chain 1dvpA in template set T0187 119 :TSEDALKVL 1dvpA 125 :AIKDTMTIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1988 # 1kz7A.119.122 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 119 :TSEDALKVL 1kz7A 744 :DCPFFQECQ 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 # 1e3oC.120.127 read from T0187.t2k.frag # found chain 1e3oC in template set T0187 120 :SEDALKVLE 1e3oC 128 :SEDITLIAE 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 # 1a41.120.124 read from T0187.t2k.frag # found chain 1a41 in template set T0187 120 :SEDALKVLE 1a41 205 :ERKVYECIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1991 # 1dvpA.120.125 read from T0187.t2k.frag # found chain 1dvpA in template set T0187 120 :SEDALKVLE 1dvpA 126 :IKDTMTILK 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 # 1b77A.120.122 read from T0187.t2k.frag # found chain 1b77A in template set T0187 120 :SEDALKVLE 1b77A 123 :LQQLLRVSR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.44818 Ang L6.O and E10.OE1 other bump:2.64031 Ang L6.C and E10.OE1 other bump:2.23177 Ang L6.O and E10.CD other bump:2.45225 Ang A5.O and L9.CG Number of specific fragments= 1 total=1993 # 1kz7A.120.123 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 120 :SEDALKVLE 1kz7A 745 :CPFFQECQK 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 # 1octC.120.122 read from T0187.t2k.frag # found chain 1octC in template set T0187 120 :SEDALKVLE 1octC 128 :SEEITMIAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1995 # 1e3oC.121.128 read from T0187.t2k.frag # found chain 1e3oC in template set T0187 121 :EDALKVLEK 1e3oC 129 :EDITLIAEQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.64776 Ang L5.O and E9.OE1 other bump:2.67797 Ang L5.C and E9.OE1 Number of specific fragments= 1 total=1996 # 1dvpA.121.126 read from T0187.t2k.frag # found chain 1dvpA in template set T0187 121 :EDALKVLEK 1dvpA 127 :KDTMTILKA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.93018 Ang L5.CD1 and E9.OE2 Number of specific fragments= 1 total=1997 # 1a41.121.125 read from T0187.t2k.frag # found chain 1a41 in template set T0187 121 :EDALKVLEK 1a41 206 :RKVYECIKQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76906 Ang K6.C and K10.NZ Number of specific fragments= 1 total=1998 # 1b77A.121.123 read from T0187.t2k.frag # found chain 1b77A in template set T0187 121 :EDALKVLEK 1b77A 124 :QQLLRVSRG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.44818 Ang L5.O and E9.OE1 other bump:2.64031 Ang L5.C and E9.OE1 other bump:2.23178 Ang L5.O and E9.CD other bump:2.45225 Ang A4.O and L8.CG Number of specific fragments= 1 total=1999 # 1kz7A.121.124 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 121 :EDALKVLEK 1kz7A 746 :PFFQECQKK 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 # 1octC.121.123 read from T0187.t2k.frag # found chain 1octC in template set T0187 121 :EDALKVLEK 1octC 129 :EEITMIADQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2001 # 1dvpA.122.127 read from T0187.t2k.frag # found chain 1dvpA in template set T0187 122 :DALKVLEKY 1dvpA 128 :DTMTILKAK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69861 Ang V6.O and Y10.CB other bump:2.93018 Ang L4.CD1 and E8.OE2 Number of specific fragments= 1 total=2002 # 1e3oC.122.129 read from T0187.t2k.frag # found chain 1e3oC in template set T0187 122 :DALKVLEKY 1e3oC 130 :DITLIAEQL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58384 Ang V6.O and Y10.CD1 other bump:1.64776 Ang L4.O and E8.OE1 other bump:2.67797 Ang L4.C and E8.OE1 Number of specific fragments= 1 total=2003 # 1b77A.122.124 read from T0187.t2k.frag # found chain 1b77A in template set T0187 122 :DALKVLEKY 1b77A 125 :QLLRVSRGL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55884 Ang V6.CG2 and Y10.CE1 other bump:2.77646 Ang V6.CG2 and Y10.CD1 other bump:2.64031 Ang L4.C and E8.OE1 other bump:1.44818 Ang L4.O and E8.OE1 other bump:2.23178 Ang L4.O and E8.CD other bump:2.45225 Ang A3.O and L7.CG Number of specific fragments= 1 total=2004 # 1a41.122.126 read from T0187.t2k.frag # found chain 1a41 in template set T0187 122 :DALKVLEKY 1a41 207 :KVYECIKQF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98365 Ang V6.CG1 and Y10.CE2 other bump:2.76905 Ang K5.C and K9.NZ Number of specific fragments= 1 total=2005 # 1kz7A.122.125 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 122 :DALKVLEKY 1kz7A 747 :FFQECQKKL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65196 Ang V6.CG1 and Y10.CE1 other bump:2.27186 Ang V6.O and Y10.CD1 Number of specific fragments= 1 total=2006 # 1b5l.122.125 read from T0187.t2k.frag # found chain 1b5l in template set T0187 122 :DALKVLEKY 1b5l 126 :GIYDYLQEK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13252 Ang V6.CG1 and Y10.CE2 Number of specific fragments= 1 total=2007 # 1dvpA.123.128 read from T0187.t2k.frag # found chain 1dvpA in template set T0187 123 :ALKVLEKYG 1dvpA 129 :TMTILKAKG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66725 Ang V5.O and Y9.CB other bump:2.93018 Ang L3.CD1 and E7.OE2 Number of specific fragments= 1 total=2008 # 1b77A.123.125 read from T0187.t2k.frag # found chain 1b77A in template set T0187 123 :ALKVLEKYG 1b77A 126 :LLRVSRGLQ Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55887 Ang V5.CG2 and Y9.CE1 other bump:2.77649 Ang V5.CG2 and Y9.CD1 other bump:2.64031 Ang L3.C and E7.OE1 other bump:1.44818 Ang L3.O and E7.OE1 other bump:2.23178 Ang L3.O and E7.CD other bump:2.45225 Ang A2.O and L6.CG Number of specific fragments= 1 total=2009 # 1kz7A.123.126 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 123 :ALKVLEKYG 1kz7A 748 :FQECQKKLD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5936 Ang V5.CG1 and Y9.CE1 other bump:2.52313 Ang V5.O and Y9.CD1 Number of specific fragments= 1 total=2010 # 1e3oC.123.130 read from T0187.t2k.frag # found chain 1e3oC in template set T0187 123 :ALKVLEKYG 1e3oC 131 :ITLIAEQLN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6391 Ang V5.O and Y9.CD1 other bump:1.64776 Ang L3.O and E7.OE1 other bump:2.67797 Ang L3.C and E7.OE1 Number of specific fragments= 1 total=2011 # 1a41.123.127 read from T0187.t2k.frag # found chain 1a41 in template set T0187 123 :ALKVLEKYG 1a41 208 :VYECIKQFG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55814 Ang V5.CG1 and Y9.OH other bump:2.92869 Ang V5.CG1 and Y9.CZ other bump:3.04487 Ang V5.C and Y9.CE2 other bump:2.79202 Ang V5.O and Y9.CE2 other bump:2.66117 Ang V5.CG1 and Y9.CE2 other bump:2.9469 Ang L6.CA and Y9.CD2 other bump:2.76905 Ang K4.C and K8.NZ Number of specific fragments= 1 total=2012 # 1kkhA.123.124 read from T0187.t2k.frag # adding 1kkhA to template set 1kkhA:# found chain 1kkhA in template set T0187 123 :ALKVLEKYG 1kkhA 125 :IKAVSGFYN Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.892021 Ang L3.O and E7.OE1 other bump:2.79104 Ang L3.CA and E7.OE1 other bump:1.75653 Ang L3.C and E7.OE1 other bump:2.01564 Ang L3.O and E7.CD other bump:2.79829 Ang L3.C and E7.CD Number of specific fragments= 1 total=2013 # 1dvpA.124.129 read from T0187.t2k.frag # found chain 1dvpA in template set T0187 124 :LKVLEKYGI 1dvpA 130 :MTILKAKGH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.71756 Ang L5.CD2 and I10.CD1 other bump:2.66725 Ang V4.O and Y8.CB other bump:2.93017 Ang L2.CD1 and E6.OE2 Number of specific fragments= 1 total=2014 # 1b77A.124.126 read from T0187.t2k.frag # found chain 1b77A in template set T0187 124 :LKVLEKYGI 1b77A 127 :LRVSRGLQI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94696 Ang L5.CD2 and I10.CD1 other bump:2.72308 Ang L5.CD2 and I10.CG2 other bump:2.9023 Ang L5.CD2 and I10.CB other bump:2.55887 Ang V4.CG2 and Y8.CE1 other bump:2.77649 Ang V4.CG2 and Y8.CD1 other bump:2.64031 Ang L2.C and E6.OE1 other bump:1.44818 Ang L2.O and E6.OE1 other bump:2.23178 Ang L2.O and E6.CD other bump:2.45225 Ang G1.O and L5.CG Number of specific fragments= 1 total=2015 # 1kz7A.124.127 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 124 :LKVLEKYGI 1kz7A 749 :QECQKKLDH Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83631 Ang L5.CD1 and I10.CG2 other bump:2.5845 Ang L5.CD1 and I10.CB other bump:2.5936 Ang V4.CG1 and Y8.CE1 other bump:2.52313 Ang V4.O and Y8.CD1 Number of specific fragments= 1 total=2016 # 1kkhA.124.125 read from T0187.t2k.frag # found chain 1kkhA in template set T0187 124 :LKVLEKYGI 1kkhA 126 :KAVSGFYNK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00165 Ang Y8.CB and I10.CD1 other bump:0.892021 Ang L2.O and E6.OE1 other bump:2.79104 Ang L2.CA and E6.OE1 other bump:1.75653 Ang L2.C and E6.OE1 other bump:2.01564 Ang L2.O and E6.CD other bump:2.79829 Ang L2.C and E6.CD Number of specific fragments= 1 total=2017 # 1e3oC.124.131 read from T0187.t2k.frag # found chain 1e3oC in template set T0187 124 :LKVLEKYGI 1e3oC 132 :TLIAEQLNM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.95613 Ang L5.CD2 and I10.CG2 other bump:2.6391 Ang V4.O and Y8.CD1 other bump:1.64776 Ang L2.O and E6.OE1 other bump:2.67797 Ang L2.C and E6.OE1 Number of specific fragments= 1 total=2018 # 1a41.124.128 read from T0187.t2k.frag # found chain 1a41 in template set T0187 124 :LKVLEKYGI 1a41 209 :YECIKQFGI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55814 Ang V4.CG1 and Y8.OH other bump:2.92869 Ang V4.CG1 and Y8.CZ other bump:3.04487 Ang V4.C and Y8.CE2 other bump:2.79201 Ang V4.O and Y8.CE2 other bump:2.66117 Ang V4.CG1 and Y8.CE2 other bump:2.9469 Ang L5.CA and Y8.CD2 other bump:2.76904 Ang K3.C and K7.NZ Number of specific fragments= 1 total=2019 # 1dvpA.125.130 read from T0187.t2k.frag # found chain 1dvpA in template set T0187 125 :KVLEKYGIE 1dvpA 131 :TILKAKGHT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66725 Ang V3.O and Y7.CB Number of specific fragments= 1 total=2020 # 1kz7A.125.128 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 125 :KVLEKYGIE 1kz7A 750 :ECQKKLDHK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83596 Ang L4.CD1 and I9.CG2 other bump:2.50059 Ang L4.CD1 and I9.CB other bump:2.59359 Ang V3.CG1 and Y7.CE1 other bump:2.52313 Ang V3.O and Y7.CD1 Number of specific fragments= 1 total=2021 # 1kkhA.125.126 read from T0187.t2k.frag # found chain 1kkhA in template set T0187 125 :KVLEKYGIE 1kkhA 127 :AVSGFYNKE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55405 Ang E5.CD and E10.OE1 other bump:1.58212 Ang E5.OE2 and E10.OE1 other bump:2.65646 Ang E5.OE2 and E10.CD neighbor-bump: 2.93124 Ang G8.C and I9.CG1 other bump:0.892021 Ang G1.O and E5.OE1 other bump:1.75653 Ang G1.C and E5.OE1 other bump:2.01564 Ang G1.O and E5.CD other bump:2.79829 Ang G1.C and E5.CD Number of specific fragments= 1 total=2022 # 1b77A.125.127 read from T0187.t2k.frag # found chain 1b77A in template set T0187 125 :KVLEKYGIE 1b77A 128 :RVSRGLQID Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94696 Ang L4.CD2 and I9.CD1 other bump:2.72308 Ang L4.CD2 and I9.CG2 other bump:2.9023 Ang L4.CD2 and I9.CB other bump:2.55887 Ang V3.CG2 and Y7.CE1 other bump:2.77649 Ang V3.CG2 and Y7.CD1 other bump:2.64031 Ang G1.C and E5.OE1 other bump:1.44818 Ang G1.O and E5.OE1 other bump:2.23178 Ang G1.O and E5.CD Number of specific fragments= 1 total=2023 # 1e3oC.125.132 read from T0187.t2k.frag # found chain 1e3oC in template set T0187 125 :KVLEKYGIE 1e3oC 133 :LIAEQLNME Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.23236 Ang L4.CG and G11.CA other bump:1.81102 Ang L4.CD1 and G11.CA other bump:2.59638 Ang L4.CD1 and G11.N other bump:3.00964 Ang L4.CD2 and I9.CG1 other bump:2.6391 Ang V3.O and Y7.CD1 other bump:1.64776 Ang G1.O and E5.OE1 other bump:2.67797 Ang G1.C and E5.OE1 Number of specific fragments= 1 total=2024 # 1dmaA.125.126 read from T0187.t2k.frag # adding 1dmaA to template set 1dmaA:# found chain 1dmaA in template set T0187 125 :KVLEKYGIE 1dmaA 526 :EVERLIGHP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6158 Ang L4.CD2 and G11.N other bump:2.9711 Ang L4.CD2 and E10.C other bump:2.92508 Ang L4.CD2 and E10.CA Number of specific fragments= 1 total=2025 # 1dvpA.126.131 read from T0187.t2k.frag # found chain 1dvpA in template set T0187 126 :VLEKYGIET 1dvpA 132 :ILKAKGHTF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66725 Ang V2.O and Y6.CB Number of specific fragments= 1 total=2026 # 1kz7A.126.129 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 126 :VLEKYGIET 1kz7A 751 :CQKKLDHKL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38022 Ang I8.CG2 and T10.O other bump:2.83597 Ang L3.CD1 and I8.CG2 other bump:2.5006 Ang L3.CD1 and I8.CB other bump:2.5936 Ang V2.CG1 and Y6.CE1 other bump:2.52313 Ang V2.O and Y6.CD1 Number of specific fragments= 1 total=2027 # 1kkhA.126.127 read from T0187.t2k.frag # found chain 1kkhA in template set T0187 126 :VLEKYGIET 1kkhA 128 :VSGFYNKEL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9579 Ang L3.CD1 and T10.OG1 other bump:2.47034 Ang L3.CD1 and T10.CG2 other bump:2.55405 Ang E4.CD and E9.OE1 other bump:1.58212 Ang E4.OE2 and E9.OE1 other bump:2.65646 Ang E4.OE2 and E9.CD neighbor-bump: 2.93124 Ang G7.C and I8.CG1 Number of specific fragments= 1 total=2028 # 1b77A.126.128 read from T0187.t2k.frag # found chain 1b77A in template set T0187 126 :VLEKYGIET 1b77A 129 :VSRGLQIDT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94696 Ang L3.CD2 and I8.CD1 other bump:2.72308 Ang L3.CD2 and I8.CG2 other bump:2.9023 Ang L3.CD2 and I8.CB other bump:2.55887 Ang V2.CG2 and Y6.CE1 other bump:2.77649 Ang V2.CG2 and Y6.CD1 Number of specific fragments= 1 total=2029 # 1k20A.126.126 read from T0187.t2k.frag # adding 1k20A to template set 1k20A:# found chain 1k20A in template set T0187 126 :VLEKYGIET 1k20A 128 :MFKEHSVAV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79328 Ang V2.CG1 and Y6.CE1 other bump:2.59964 Ang V2.O and Y6.CD1 Number of specific fragments= 1 total=2030 # 1dmaA.126.127 read from T0187.t2k.frag # found chain 1dmaA in template set T0187 126 :VLEKYGIET 1dmaA 527 :VERLIGHPL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6158 Ang L3.CD2 and T10.N other bump:2.9711 Ang L3.CD2 and E9.C other bump:2.92508 Ang L3.CD2 and E9.CA Number of specific fragments= 1 total=2031 # 1kkhA.127.128 read from T0187.t2k.frag # found chain 1kkhA in template set T0187 127 :LEKYGIETS 1kkhA 129 :SGFYNKELK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86431 Ang L2.CD1 and T9.OG1 other bump:2.64912 Ang L2.CD1 and T9.CG2 other bump:2.55405 Ang E3.CD and E8.OE1 other bump:1.58212 Ang E3.OE2 and E8.OE1 other bump:2.65647 Ang E3.OE2 and E8.CD neighbor-bump: 2.93124 Ang G6.C and I7.CG1 Number of specific fragments= 1 total=2032 # 1dvpA.127.132 read from T0187.t2k.frag # found chain 1dvpA in template set T0187 127 :LEKYGIETS 1dvpA 133 :LKAKGHTFP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66725 Ang G1.O and Y5.CB Number of specific fragments= 1 total=2033 # 1k20A.127.127 read from T0187.t2k.frag # found chain 1k20A in template set T0187 127 :LEKYGIETS 1k20A 129 :FKEHSVAVS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.99878 Ang L2.CD1 and T9.CG2 other bump:2.59964 Ang G1.O and Y5.CD1 Number of specific fragments= 1 total=2034 # 1kz7A.127.130 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 127 :LEKYGIETS 1kz7A 752 :QKKLDHKLS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38022 Ang I7.CG2 and T9.O other bump:2.83596 Ang L2.CD1 and I7.CG2 other bump:2.50059 Ang L2.CD1 and I7.CB other bump:2.52313 Ang G1.O and Y5.CD1 Number of specific fragments= 1 total=2035 # 1dmaA.127.128 read from T0187.t2k.frag # found chain 1dmaA in template set T0187 127 :LEKYGIETS 1dmaA 528 :ERLIGHPLP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.17222 Ang T9.CG2 and S10.CA other bump:2.6158 Ang L2.CD2 and T9.N other bump:2.9711 Ang L2.CD2 and E8.C other bump:2.92508 Ang L2.CD2 and E8.CA Number of specific fragments= 1 total=2036 # 1h8mA.127.128 read from T0187.t2k.frag # adding 1h8mA to template set 1h8mA:# found chain 1h8mA in template set T0187 127 :LEKYGIETS 1h8mA 129 :ISKYQDPSQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.63883 Ang I7.CG2 and E8.OE1 neighbor-bump: 3.04199 Ang I7.CG2 and E8.CA neighbor-bump: 1.81548 Ang I7.CG2 and E8.N self-bump: 2.34341 Ang I7.CG2 and I7.C self-bump: 1.30551 Ang I7.CA and I7.CB Number of specific fragments= 1 total=2037 # 1k20A.128.128 read from T0187.t2k.frag # found chain 1k20A in template set T0187 128 :EKYGIETSE 1k20A 130 :KEHSVAVSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2038 # 1kkhA.128.129 read from T0187.t2k.frag # found chain 1kkhA in template set T0187 128 :EKYGIETSE 1kkhA 130 :GFYNKELKD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.93124 Ang G5.C and I6.CG1 Number of specific fragments= 1 total=2039 # 1kz7A.128.131 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 128 :EKYGIETSE 1kz7A 753 :KKLDHKLSL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38022 Ang I6.CG2 and T8.O Number of specific fragments= 1 total=2040 # 1dvpA.128.133 read from T0187.t2k.frag # found chain 1dvpA in template set T0187 128 :EKYGIETSE 1dvpA 134 :KAKGHTFPE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2041 # 1dmaA.128.129 read from T0187.t2k.frag # found chain 1dmaA in template set T0187 128 :EKYGIETSE 1dmaA 529 :RLIGHPLPL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81381 Ang Y4.OH and E10.CD other bump:2.93383 Ang Y4.CE2 and E10.CG neighbor-bump: 3.17222 Ang T8.CG2 and S9.CA Number of specific fragments= 1 total=2042 # 1cs8A.128.135 read from T0187.t2k.frag # found chain 1cs8A in template set T0187 128 :EKYGIETSE 1cs8A 40 :RKTGRLISL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.43277 Ang K3.CE and Y4.OH neighbor-bump: 2.89642 Ang K3.CE and Y4.CZ neighbor-bump: 3.06231 Ang K3.CD and Y4.CE2 Number of specific fragments= 1 total=2043 # 1k20A.129.129 read from T0187.t2k.frag # found chain 1k20A in template set T0187 129 :KYGIETSES 1k20A 131 :EHSVAVSKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2044 # 1kkhA.129.130 read from T0187.t2k.frag # found chain 1kkhA in template set T0187 129 :KYGIETSES 1kkhA 131 :FYNKELKDD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.93124 Ang G4.C and I5.CG1 Number of specific fragments= 1 total=2045 # 1kz7A.129.132 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 129 :KYGIETSES 1kz7A 754 :KLDHKLSLD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38022 Ang I5.CG2 and T7.O Number of specific fragments= 1 total=2046 # 1mun.129.131 read from T0187.t2k.frag # found chain 1mun in template set T0187 129 :KYGIETSES 1mun 132 :KHFPILNGN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.0183 Ang E6.O and T7.OG1 neighbor-bump: 2.64037 Ang E6.C and T7.OG1 Number of specific fragments= 1 total=2047 # 1muyA.129.131 read from T0187.t2k.frag # found chain 1muyA in template set T0187 129 :KYGIETSES 1muyA 132 :KHFPILDGN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.96034 Ang E6.O and T7.OG1 neighbor-bump: 2.61406 Ang E6.C and T7.OG1 Number of specific fragments= 1 total=2048 # 1dvpA.129.134 read from T0187.t2k.frag # found chain 1dvpA in template set T0187 129 :KYGIETSES 1dvpA 135 :AKGHTFPEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2049 # 1k20A.130.130 read from T0187.t2k.frag # found chain 1k20A in template set T0187 130 :YGIETSESV 1k20A 132 :HSVAVSKEI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2050 # 1mun.130.132 read from T0187.t2k.frag # found chain 1mun in template set T0187 130 :YGIETSESV 1mun 133 :HFPILNGNV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.0183 Ang E5.O and T6.OG1 neighbor-bump: 2.64037 Ang E5.C and T6.OG1 Number of specific fragments= 1 total=2051 # 1kkhA.130.131 read from T0187.t2k.frag # found chain 1kkhA in template set T0187 130 :YGIETSESV 1kkhA 132 :YNKELKDDE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.93124 Ang G3.C and I4.CG1 Number of specific fragments= 1 total=2052 # 1muyA.130.132 read from T0187.t2k.frag # found chain 1muyA in template set T0187 130 :YGIETSESV 1muyA 133 :HFPILDGNV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.96034 Ang E5.O and T6.OG1 neighbor-bump: 2.61406 Ang E5.C and T6.OG1 Number of specific fragments= 1 total=2053 # 1kz7A.130.133 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 130 :YGIETSESV 1kz7A 755 :LDHKLSLDS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38022 Ang I4.CG2 and T6.O other bump:3.0233 Ang Y2.CB and I4.CD1 other bump:3.04311 Ang Y2.CB and I4.CG1 Number of specific fragments= 1 total=2054 # 1cs8A.130.137 read from T0187.t2k.frag # found chain 1cs8A in template set T0187 130 :YGIETSESV 1cs8A 42 :TGRLISLSE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2055 # 1mun.131.133 read from T0187.t2k.frag # found chain 1mun in template set T0187 131 :GIETSESVK 1mun 134 :FPILNGNVK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.0183 Ang E4.O and T5.OG1 neighbor-bump: 2.64037 Ang E4.C and T5.OG1 Number of specific fragments= 1 total=2056 # 1muyA.131.133 read from T0187.t2k.frag # found chain 1muyA in template set T0187 131 :GIETSESVK 1muyA 134 :FPILDGNVK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.96034 Ang E4.O and T5.OG1 neighbor-bump: 2.61406 Ang E4.C and T5.OG1 Number of specific fragments= 1 total=2057 # 1k20A.131.131 read from T0187.t2k.frag # found chain 1k20A in template set T0187 131 :GIETSESVK 1k20A 133 :SVAVSKEIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2058 # 1kz7A.131.134 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 131 :GIETSESVK 1kz7A 756 :DHKLSLDSY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38022 Ang I3.CG2 and T5.O Number of specific fragments= 1 total=2059 # 1kkhA.131.132 read from T0187.t2k.frag # found chain 1kkhA in template set T0187 131 :GIETSESVK 1kkhA 133 :NKELKDDEI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.93124 Ang G2.C and I3.CG1 Number of specific fragments= 1 total=2060 # 1lk5A.131.137 read from T0187.t2k.frag # adding 1lk5A to template set 1lk5A:# found chain 1lk5A in template set T0187 131 :GIETSESVK 1lk5A 138 :IEVIPQAWK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72557 Ang E4.OE2 and V9.CG2 other bump:2.90617 Ang E4.OE2 and V9.CG1 other bump:2.47793 Ang E4.OE2 and V9.CA other bump:3.11602 Ang E4.CD and V9.CA Number of specific fragments= 1 total=2061 # 1mun.132.134 read from T0187.t2k.frag # found chain 1mun in template set T0187 132 :IETSESVKR 1mun 135 :PILNGNVKR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.0183 Ang E3.O and T4.OG1 neighbor-bump: 2.64037 Ang E3.C and T4.OG1 Number of specific fragments= 1 total=2062 # 1muyA.132.134 read from T0187.t2k.frag # found chain 1muyA in template set T0187 132 :IETSESVKR 1muyA 135 :PILDGNVKR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.96034 Ang E3.O and T4.OG1 neighbor-bump: 2.61406 Ang E3.C and T4.OG1 Number of specific fragments= 1 total=2063 # 1k20A.132.132 read from T0187.t2k.frag # found chain 1k20A in template set T0187 132 :IETSESVKR 1k20A 134 :VAVSKEIAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2064 # 1lk5A.132.138 read from T0187.t2k.frag # found chain 1lk5A in template set T0187 132 :IETSESVKR 1lk5A 139 :EVIPQAWKA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72558 Ang E3.OE2 and V8.CG2 other bump:2.90617 Ang E3.OE2 and V8.CG1 other bump:2.47794 Ang E3.OE2 and V8.CA other bump:3.11602 Ang E3.CD and V8.CA Number of specific fragments= 1 total=2065 # 1kz7A.132.135 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 132 :IETSESVKR 1kz7A 757 :HKLSLDSYL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.92646 Ang E6.OE2 and R10.NH2 other bump:2.45746 Ang E6.OE2 and R10.CZ other bump:2.38022 Ang I2.CG2 and T4.O Number of specific fragments= 1 total=2066 # 1cs8A.132.139 read from T0187.t2k.frag # found chain 1cs8A in template set T0187 132 :IETSESVKR 1cs8A 44 :RLISLSEQN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2067 # 1mun.133.135 read from T0187.t2k.frag # found chain 1mun in template set T0187 133 :ETSESVKRA 1mun 136 :ILNGNVKRV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.64037 Ang E2.C and T3.OG1 neighbor-bump: 2.0183 Ang E2.O and T3.OG1 Number of specific fragments= 1 total=2068 # 1muyA.133.135 read from T0187.t2k.frag # found chain 1muyA in template set T0187 133 :ETSESVKRA 1muyA 136 :ILDGNVKRV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.61406 Ang E2.C and T3.OG1 neighbor-bump: 1.96034 Ang E2.O and T3.OG1 Number of specific fragments= 1 total=2069 # 1lk5A.133.139 read from T0187.t2k.frag # found chain 1lk5A in template set T0187 133 :ETSESVKRA 1lk5A 140 :VIPQAWKAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2070 # 1k20A.133.133 read from T0187.t2k.frag # found chain 1k20A in template set T0187 133 :ETSESVKRA 1k20A 135 :AVSKEIAGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2071 # 1pvuA.133.136 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 133 :ETSESVKRA 1pvuA 140 :NNPKIPVKY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2072 # 1kz7A.133.136 read from T0187.t2k.frag # found chain 1kz7A in template set T0187 133 :ETSESVKRA 1kz7A 758 :KLSLDSYLL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.92645 Ang E5.OE2 and R9.NH2 other bump:2.45745 Ang E5.OE2 and R9.CZ Number of specific fragments= 1 total=2073 # 1lk5A.134.140 read from T0187.t2k.frag # found chain 1lk5A in template set T0187 134 :TSESVKRAI 1lk5A 141 :IPQAWKAII Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2074 # 1mun.134.136 read from T0187.t2k.frag # found chain 1mun in template set T0187 134 :TSESVKRAI 1mun 137 :LNGNVKRVL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.0183 Ang G1.O and T2.OG1 neighbor-bump: 2.64036 Ang G1.C and T2.OG1 Number of specific fragments= 1 total=2075 # 1muyA.134.136 read from T0187.t2k.frag # found chain 1muyA in template set T0187 134 :TSESVKRAI 1muyA 137 :LDGNVKRVL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.95942 Ang G1.O and T2.OG1 neighbor-bump: 2.61023 Ang G1.C and T2.OG1 Number of specific fragments= 1 total=2076 # 1pvuA.134.137 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 134 :TSESVKRAI 1pvuA 141 :NPKIPVKYV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2077 # 1pvuA.134.138 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 134 :TSESVKRAI 1pvuA 142 :PKIPVKYVM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31524 Ang E4.OE2 and R8.NH1 Number of specific fragments= 1 total=2078 # 2abk.134.136 read from T0187.t2k.frag # found chain 2abk in training set T0187 134 :TSESVKRAI 2abk 137 :VDTHIFRVC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2079 # 1lk5A.135.141 read from T0187.t2k.frag # found chain 1lk5A in template set T0187 135 :SESVKRAIL 1lk5A 142 :PQAWKAIIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2080 # 1mun.135.137 read from T0187.t2k.frag # found chain 1mun in template set T0187 135 :SESVKRAIL 1mun 138 :NGNVKRVLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2081 # 1muyA.135.137 read from T0187.t2k.frag # found chain 1muyA in template set T0187 135 :SESVKRAIL 1muyA 138 :DGNVKRVLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2082 # 1pvuA.135.138 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 135 :SESVKRAIL 1pvuA 142 :PKIPVKYVM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2083 # 1pvuA.135.139 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 135 :SESVKRAIL 1pvuA 143 :KIPVKYVME Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31523 Ang E3.OE2 and R7.NH1 Number of specific fragments= 1 total=2084 # 1wdcC.135.140 read from T0187.t2k.frag # adding 1wdcC to template set 1wdcC:# found chain 1wdcC in template set T0187 135 :SESVKRAIL 1wdcC 141 :YEDFVKKVM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16639 Ang E3.CD and R7.NH2 other bump:3.08003 Ang E3.CG and R7.CZ Number of specific fragments= 1 total=2085 # 1lk5A.136.142 read from T0187.t2k.frag # found chain 1lk5A in template set T0187 136 :ESVKRAILQ 1lk5A 143 :QAWKAIIEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2086 # 1mun.136.138 read from T0187.t2k.frag # found chain 1mun in template set T0187 136 :ESVKRAILQ 1mun 139 :GNVKRVLAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2087 # 1pvuA.136.139 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 136 :ESVKRAILQ 1pvuA 143 :KIPVKYVME Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2088 # 1muyA.136.138 read from T0187.t2k.frag # found chain 1muyA in template set T0187 136 :ESVKRAILQ 1muyA 139 :GNVKRVLAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2089 # 1pvuA.136.140 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 136 :ESVKRAILQ 1pvuA 144 :IPVKYVMEH Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.18463 Ang R6.CA and Q10.OE1 other bump:0.929162 Ang R6.O and Q10.OE1 other bump:1.66255 Ang R6.C and Q10.OE1 other bump:3.00811 Ang R6.CG and Q10.CD other bump:3.09657 Ang R6.CA and Q10.CD other bump:2.05034 Ang R6.O and Q10.CD other bump:2.89099 Ang R6.C and Q10.CD other bump:2.31524 Ang E2.OE2 and R6.NH1 Number of specific fragments= 1 total=2090 # 1wdcC.136.141 read from T0187.t2k.frag # found chain 1wdcC in template set T0187 136 :ESVKRAILQ 1wdcC 142 :EDFVKKVMA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16639 Ang E2.CD and R6.NH2 other bump:3.08003 Ang E2.CG and R6.CZ Number of specific fragments= 1 total=2091 # 1lk5A.137.143 read from T0187.t2k.frag # found chain 1lk5A in template set T0187 137 :SVKRAILQE 1lk5A 144 :AWKAIIEEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2092 # 1mun.137.139 read from T0187.t2k.frag # found chain 1mun in template set T0187 137 :SVKRAILQE 1mun 140 :NVKRVLARC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2093 # 1pvuA.137.140 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 137 :SVKRAILQE 1pvuA 144 :IPVKYVMEH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2094 # 1muyA.137.139 read from T0187.t2k.frag # found chain 1muyA in template set T0187 137 :SVKRAILQE 1muyA 140 :NVKRVLARC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2095 # 1wdcC.137.143 read from T0187.t2k.frag # found chain 1wdcC in template set T0187 137 :SVKRAILQE 1wdcC 144 :FVKKVMAGP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2096 # 1pvuA.137.141 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 137 :SVKRAILQE 1pvuA 145 :PVKYVMEHG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73904 Ang R5.CZ and Q9.OE1 Number of specific fragments= 1 total=2097 # 1lk5A.138.144 read from T0187.t2k.frag # found chain 1lk5A in template set T0187 138 :VKRAILQET 1lk5A 145 :WKAIIEELS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.53461 Ang A5.CA and E9.OE2 other bump:1.43478 Ang A5.C and E9.OE2 other bump:2.45003 Ang I6.N and E9.OE2 other bump:0.200617 Ang A5.O and E9.OE2 other bump:2.34845 Ang A5.O and E9.OE1 other bump:3.19033 Ang A5.CA and E9.CD other bump:2.47773 Ang A5.C and E9.CD other bump:1.44903 Ang A5.O and E9.CD Number of specific fragments= 1 total=2098 # 1pvuA.138.141 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 138 :VKRAILQET 1pvuA 145 :PVKYVMEHG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2099 # 1mun.138.140 read from T0187.t2k.frag # found chain 1mun in template set T0187 138 :VKRAILQET 1mun 141 :VKRVLARCY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2100 # 1muyA.138.140 read from T0187.t2k.frag # found chain 1muyA in template set T0187 138 :VKRAILQET 1muyA 141 :VKRVLARCY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20249 Ang I6.O and T10.OG1 Number of specific fragments= 1 total=2101 # 1wdcC.138.143 read from T0187.t2k.frag # found chain 1wdcC in template set T0187 138 :VKRAILQET 1wdcC 144 :FVKKVMAGP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.67126 Ang Q8.C and E9.CB Number of specific fragments= 1 total=2102 # 1wdcC.138.144 read from T0187.t2k.frag # found chain 1wdcC in template set T0187 138 :VKRAILQET 1wdcC 145 :VKKVMAGPY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2103 # 1lk5A.139.145 read from T0187.t2k.frag # found chain 1lk5A in template set T0187 139 :KRAILQETP 1lk5A 146 :KAIIEELSI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.47003 Ang T9.N and P10.CD other bump:2.19099 Ang Q7.O and P10.CD other bump:3.01535 Ang Q7.C and P10.CD self-bump: 1.39465 Ang P10.N and P10.CD other bump:2.85742 Ang E8.C and P10.CD other bump:2.53646 Ang Q7.O and P10.CG other bump:2.45003 Ang I5.N and E8.OE2 other bump:2.53461 Ang A4.CA and E8.OE2 other bump:0.200617 Ang A4.O and E8.OE2 other bump:1.43478 Ang A4.C and E8.OE2 other bump:2.34845 Ang A4.O and E8.OE1 other bump:3.19033 Ang A4.CA and E8.CD other bump:1.44903 Ang A4.O and E8.CD other bump:2.47773 Ang A4.C and E8.CD Number of specific fragments= 1 total=2104 # 1pvuA.139.142 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 139 :KRAILQETP 1pvuA 146 :VKYVMEHGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2105 # 1mun.139.141 read from T0187.t2k.frag # found chain 1mun in template set T0187 139 :KRAILQETP 1mun 142 :KRVLARCYA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26028 Ang T9.O and P10.CD neighbor-bump: 1.69564 Ang T9.C and P10.CD self-bump: 2.22448 Ang P10.CA and P10.CD Number of specific fragments= 1 total=2106 # 1muyA.139.141 read from T0187.t2k.frag # found chain 1muyA in template set T0187 139 :KRAILQETP 1muyA 142 :KRVLARCYA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.3021 Ang T9.O and P10.CD neighbor-bump: 1.70291 Ang T9.C and P10.CD self-bump: 2.22938 Ang P10.CA and P10.CD other bump:2.20249 Ang I5.O and T9.OG1 Number of specific fragments= 1 total=2107 # 1wdcC.139.144 read from T0187.t2k.frag # found chain 1wdcC in template set T0187 139 :KRAILQETP 1wdcC 145 :VKKVMAGPY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.34136 Ang T9.OG1 and P10.CD neighbor-bump: 1.94535 Ang T9.C and P10.CD neighbor-bump: 2.72754 Ang T9.C and P10.CG neighbor-bump: 2.67126 Ang Q7.C and E8.CB Number of specific fragments= 1 total=2108 # 1pvuA.139.143 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 139 :KRAILQETP 1pvuA 147 :KYVMEHGTK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73904 Ang R3.CZ and Q7.OE1 Number of specific fragments= 1 total=2109 # 1pvuA.140.143 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 140 :RAILQETPK 1pvuA 147 :KYVMEHGTK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2110 # 1lk5A.140.146 read from T0187.t2k.frag # found chain 1lk5A in template set T0187 140 :RAILQETPK 1lk5A 147 :AIIEELSIF Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.47003 Ang T8.N and P9.CD other bump:2.191 Ang Q6.O and P9.CD other bump:3.01536 Ang Q6.C and P9.CD other bump:2.85742 Ang E7.C and P9.CD self-bump: 1.39464 Ang P9.N and P9.CD other bump:2.53647 Ang Q6.O and P9.CG other bump:1.43478 Ang A3.C and E7.OE2 other bump:2.45003 Ang I4.N and E7.OE2 other bump:2.53461 Ang A3.CA and E7.OE2 other bump:0.200617 Ang A3.O and E7.OE2 other bump:2.34845 Ang A3.O and E7.OE1 other bump:2.47773 Ang A3.C and E7.CD other bump:3.19033 Ang A3.CA and E7.CD other bump:1.44903 Ang A3.O and E7.CD Number of specific fragments= 1 total=2111 # 1wdcC.140.145 read from T0187.t2k.frag # found chain 1wdcC in template set T0187 140 :RAILQETP 1wdcC 146 :KKVMAGPY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.34136 Ang T8.OG1 and P9.CD neighbor-bump: 1.94535 Ang T8.C and P9.CD neighbor-bump: 2.72754 Ang T8.C and P9.CG neighbor-bump: 2.67126 Ang Q6.C and E7.CB Number of specific fragments= 1 total=2112 # 1pvuA.140.144 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 140 :RAILQETPK 1pvuA 148 :YVMEHGTKI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.08493 Ang R2.NE and Q6.OE1 other bump:3.04087 Ang R2.NE and Q6.CD Number of specific fragments= 1 total=2113 # 1mun.140.142 read from T0187.t2k.frag # found chain 1mun in template set T0187 140 :RAILQETPK 1mun 143 :RVLARCYAV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80512 Ang L5.CD2 and K10.CD other bump:2.86023 Ang L5.CD2 and K10.CB neighbor-bump: 2.26028 Ang T8.O and P9.CD self-bump: 2.22448 Ang P9.CA and P9.CD neighbor-bump: 1.69564 Ang T8.C and P9.CD Number of specific fragments= 1 total=2114 # 1muyA.140.142 read from T0187.t2k.frag # found chain 1muyA in template set T0187 140 :RAILQETPK 1muyA 143 :RVLARCYAV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79816 Ang L5.CD2 and K10.CD other bump:2.91057 Ang L5.CD2 and K10.CB neighbor-bump: 2.3021 Ang T8.O and P9.CD neighbor-bump: 1.70291 Ang T8.C and P9.CD self-bump: 2.22938 Ang P9.CA and P9.CD other bump:2.20249 Ang I4.O and T8.OG1 Number of specific fragments= 1 total=2115 # 1pvuA.141.144 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 141 :AILQETPKH 1pvuA 148 :YVMEHGTKI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2116 # 1lk5A.141.147 read from T0187.t2k.frag # found chain 1lk5A in template set T0187 141 :AILQETPKH 1lk5A 148 :IIEELSIFN Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.191 Ang Q5.O and P8.CD other bump:3.01536 Ang Q5.C and P8.CD other bump:2.85742 Ang E6.C and P8.CD neighbor-bump: 2.47003 Ang T7.N and P8.CD self-bump: 1.39464 Ang P8.N and P8.CD other bump:2.53647 Ang Q5.O and P8.CG other bump:1.43478 Ang A2.C and E6.OE2 other bump:2.45003 Ang I3.N and E6.OE2 other bump:2.53461 Ang A2.CA and E6.OE2 other bump:0.200617 Ang A2.O and E6.OE2 other bump:2.34845 Ang A2.O and E6.OE1 other bump:2.47773 Ang A2.C and E6.CD other bump:3.19033 Ang A2.CA and E6.CD other bump:1.44903 Ang A2.O and E6.CD Number of specific fragments= 1 total=2117 # 1wdcC.141.146 read from T0187.t2k.frag # found chain 1wdcC in template set T0187 141 :AILQETP 1wdcC 147 :KVMAGPY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.34136 Ang T7.OG1 and P8.CD neighbor-bump: 1.94535 Ang T7.C and P8.CD neighbor-bump: 2.72754 Ang T7.C and P8.CG neighbor-bump: 2.67126 Ang Q5.C and E6.CB Number of specific fragments= 1 total=2118 # 1pvuA.141.145 read from T0187.t2k.frag # found chain 1pvuA in template set T0187 141 :AILQETPK 1pvuA 149 :VMEHGTKI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=2119 # 1wdcC.141.147 read from T0187.t2k.frag # found chain 1wdcC in template set T0187 141 :AILQET 1wdcC 148 :VMAGPY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 1 total=2120 # 1mun.141.143 read from T0187.t2k.frag # found chain 1mun in template set T0187 141 :AILQETPKH 1mun 144 :VLARCYAVS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5664 Ang T7.OG1 and K9.CE other bump:2.96732 Ang L4.CD2 and K9.CB neighbor-bump: 2.26028 Ang T7.O and P8.CD neighbor-bump: 1.69564 Ang T7.C and P8.CD self-bump: 2.22448 Ang P8.CA and P8.CD Number of specific fragments= 1 total=2121 # 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= 438140 msec, elapsed time= 512256 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-al8+1i5nA-T0187-local-adpstyle1.pw.a2m.gz:1i5nA at pool[9] 82.2789 cost/residue, 374 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 80.5485 cost/residue, 270 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 7 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 7 ## 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-al6 79.4031 cost/residue, 290 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 13 ## InsertFragment 19 ## TwoFragment 7 ## CrossOver 3 ## CrossAndInsert 3 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0187.try1-al10 78.6549 cost/residue, 291 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 19 ## InsertFragment 29 ## TwoFragment 9 ## CrossOver 4 ## CrossAndInsert 8 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0187.try1-al6 77.9373 cost/residue, 329 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 25 ## InsertFragment 36 ## TwoFragment 11 ## CrossOver 6 ## CrossAndInsert 10 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0187.try1-al6 77.3777 cost/residue, 303 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 42 ## TwoFragment 12 ## CrossOver 10 ## CrossAndInsert 15 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0187.try1-al6 76.8599 cost/residue, 291 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 34 ## InsertFragment 51 ## TwoFragment 14 ## CrossOver 12 ## CrossAndInsert 18 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # generation 7: best score out of 40: T0187.try1-al6 76.1566 cost/residue, 360 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 63 ## TwoFragment 15 ## CrossOver 13 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 2 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0187.try1-al10 76.0808 cost/residue, 382 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 41 ## InsertFragment 65 ## TwoFragment 19 ## CrossOver 17 ## CrossAndInsert 24 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 2 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0187.try1-al10 75.8337 cost/residue, 374 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 43 ## InsertFragment 71 ## TwoFragment 20 ## CrossOver 23 ## CrossAndInsert 27 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 2 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0187.try1-al10 75.7648 cost/residue, 347 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 44 ## InsertFragment 82 ## TwoFragment 21 ## CrossOver 28 ## CrossAndInsert 31 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 3 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V228 jump= -0.904735 -0.348638 -0.218271 -0.110743 0.762718 -2.38083 -8.76672 # generation 11: best score out of 40: T0187.try1-al10 75.688 cost/residue, 336 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 45 ## InsertFragment 86 ## TwoFragment 22 ## CrossOver 30 ## CrossAndInsert 37 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 6 ## OptSubtree 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0187.try1-al10 75.3772 cost/residue, 349 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 46 ## InsertFragment 90 ## TwoFragment 23 ## CrossOver 38 ## CrossAndInsert 44 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 7 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 29 # generation 13: best score out of 40: T0187.try1-al6 75.2712 cost/residue, 376 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 47 ## InsertFragment 94 ## TwoFragment 24 ## CrossOver 45 ## CrossAndInsert 47 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 10 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= 0.710389 -0.139861 0.510486 0.463886 -8.4811 10.0172 -8.73136 # generation 14: best score out of 40: T0187.try1-al6 75.2712 cost/residue, 376 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 48 ## InsertFragment 95 ## TwoFragment 24 ## CrossOver 60 ## CrossAndInsert 49 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 11 ## OptSubtree 21 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I141 jump= 0.967038 -0.0522447 0.0916638 -0.231744 11.0501 2.8403 -15.9222 # Removing break before 19 # generation 15: best score out of 40: T0187.try1-al6 75.2712 cost/residue, 376 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 48 ## InsertFragment 98 ## TwoFragment 24 ## CrossOver 69 ## CrossAndInsert 52 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 12 ## OptSubtree 27 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0187.try1-al6 75.1053 cost/residue, 395 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 50 ## InsertFragment 98 ## TwoFragment 24 ## CrossOver 80 ## CrossAndInsert 55 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 13 ## OptSubtree 34 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.722536 0.179665 -0.646183 0.167664 10.6992 18.636 6.88518 # Removing break before 137 # generation 17: best score out of 40: T0187.try1-al10 74.8872 cost/residue, 364 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 50 ## InsertFragment 100 ## TwoFragment 25 ## CrossOver 88 ## CrossAndInsert 57 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 15 ## OptSubtree 41 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= 0.546266 -0.337772 0.766481 0.00314609 -5.62501 -0.720544 -1.86462 # jumping subtree containing (T0187)S122 jump= 0.227172 -0.138102 0.391245 -0.881049 -10.0276 -20.3492 -17.7024 # Removing break before 9 # generation 18: best score out of 40: T0187.try1-al6 74.8453 cost/residue, 450 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 50 ## InsertFragment 105 ## TwoFragment 25 ## CrossOver 95 ## CrossAndInsert 58 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 15 ## OptSubtree 51 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= 0.976538 0.0257252 0.112694 0.181694 -15.0438 11.4724 17.792 # jumping subtree containing (T0187)I222 jump= -0.150655 0.917054 0.180054 -0.322327 10.7473 -8.9012 52.1709 # Removing break before 81 # generation 19: best score out of 40: T0187.try1-al10 74.6157 cost/residue, 363 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 50 ## InsertFragment 106 ## TwoFragment 25 ## CrossOver 104 ## CrossAndInsert 60 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 18 ## OptSubtree 59 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 25 # generation 20: best score out of 40: T0187.try1-al10 74.6157 cost/residue, 363 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 50 ## InsertFragment 108 ## TwoFragment 25 ## CrossOver 110 ## CrossAndInsert 61 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 22 ## OptSubtree 68 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 55 # jumping subtree containing (T0187)P91 jump= -0.409857 -0.500017 0.657847 0.386313 -28.715 24.2783 -32.1114 # jumping subtree containing (T0187)S146 jump= 0.896937 -0.270662 0.315349 0.151002 9.96142 27.3757 -39.7755 # generation 21: best score out of 40: T0187.try1-al10 74.6157 cost/residue, 363 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 50 ## InsertFragment 108 ## TwoFragment 25 ## CrossOver 116 ## CrossAndInsert 62 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 26 ## OptSubtree 82 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 95 # generation 22: best score out of 40: T0187.try1-al10 74.5944 cost/residue, 351 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 50 ## InsertFragment 111 ## TwoFragment 25 ## CrossOver 120 ## CrossAndInsert 62 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 28 ## OptSubtree 99 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 55 # jumping subtree containing (T0187)S146 jump= 0.897751 -0.364256 -0.147304 0.199154 0.247113 19.3792 33.4386 # jumping subtree containing (T0187)E157 jump= 0.97418 -0.213522 0.0231133 -0.0696297 11.6326 -22.5976 2.53397 # jumping subtree containing (T0187)I155 jump= -0.663075 -0.590674 -0.247242 -0.387695 -22.9287 21.4578 -5.13451 # generation 23: best score out of 40: T0187.try1-al10 74.5938 cost/residue, 359 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 50 ## InsertFragment 112 ## TwoFragment 25 ## CrossOver 129 ## CrossAndInsert 62 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 31 ## OptSubtree 109 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T97 jump= 0.00224223 -0.643174 -0.397298 -0.654581 -36.1345 39.5866 26.852 # Removing break before 55 # generation 24: best score out of 40: T0187.try1-al10 74.5938 cost/residue, 359 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 50 ## InsertFragment 112 ## TwoFragment 25 ## CrossOver 138 ## CrossAndInsert 62 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 32 ## OptSubtree 128 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= 0.734428 0.436561 0.516255 -0.0592529 7.44609 14.956 -51.3654 # Removing break before 39 # Removing break before 55 # Removing break before 92 # generation 25: best score out of 40: T0187.try1-al10 74.5862 cost/residue, 353 clashes 0.003726 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 50 ## InsertFragment 112 ## TwoFragment 25 ## CrossOver 146 ## CrossAndInsert 62 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 32 ## OptSubtree 141 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.969854 -0.0653038 -0.0398408 0.231367 -8.33534 -13.3853 17.2288 # Removing break before 47 # Removing break before 114 # Removing break before 92 # jumping subtree containing (T0187)L138 jump= 0.666846 -0.0192249 -0.336883 0.664422 -15.331 4.30385 19.6497 # jumping subtree containing (T0187)H239 jump= -0.999612 0.0271646 -0.00409858 -0.0046015 -14.0102 -22.4899 8.58761 # Removing break before 55 # jumping subtree containing (T0187)T100 jump= -0.843854 -0.452036 0.208883 -0.199852 9.0265 -4.7077 10.2753 # Removing break before 9 # jumping subtree containing (T0187)T224 jump= 0.36478 -0.498459 0.237423 -0.749736 -67.903 -26.9916 56.8974 # generation 26: best score out of 40: T0187.try1-al10 74.5862 cost/residue, 353 clashes 0.003726 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 50 ## InsertFragment 112 ## TwoFragment 25 ## CrossOver 148 ## CrossAndInsert 62 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 33 ## OptSubtree 160 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G125 jump= -0.81622 0.307187 -0.46935 0.138319 -40.1402 -21.1697 4.4116 # Removing break before 34 # jumping subtree containing (T0187)L138 jump= -0.464275 -0.486788 -0.347017 -0.653502 -20.1389 7.56538 -11.0594 # Removing break before 111 # generation 27: best score out of 40: T0187.try1-al10 74.4837 cost/residue, 343 clashes 0.0026285 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 50 ## InsertFragment 113 ## TwoFragment 26 ## CrossOver 150 ## CrossAndInsert 62 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 34 ## OptSubtree 179 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V183 jump= 0.614725 0.0837519 -0.493347 -0.609678 -27.9533 20.5381 -14.4359 # Removing break before 55 # jumping subtree containing (T0187)S126 jump= -0.990072 0.0551681 -0.045435 0.121036 -4.57982 -10.3887 -19.4572 # Removing break before 55 # generation 28: best score out of 40: T0187.try1-al10 74.2002 cost/residue, 351 clashes 0.0026285 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 51 ## InsertFragment 114 ## TwoFragment 26 ## CrossOver 155 ## CrossAndInsert 62 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 41 ## OptSubtree 191 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G123 jump= -0.617543 0.163772 -0.726415 -0.25326 -13.8961 6.2839 -33.1183 # Removing break before 12 # jumping subtree containing (T0187)S126 jump= -0.916222 0.298255 0.0722767 -0.257598 21.5566 22.9089 2.29454 # Removing break before 55 # jumping subtree containing (T0187)L149 jump= 0.12654 0.757374 -0.261641 0.584736 -52.1018 22.1602 60.9305 # Removing break before 12 # jumping subtree containing (T0187)T224 jump= -0.964513 -0.214854 -0.134347 -0.07418 -10.3354 -6.66487 -13.08 # generation 29: best score out of 40: T0187.try1-al10 74.2002 cost/residue, 351 clashes 0.0026285 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 51 ## InsertFragment 114 ## TwoFragment 26 ## CrossOver 163 ## CrossAndInsert 62 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 44 ## OptSubtree 208 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 12 # jumping subtree containing (T0187)P91 jump= -0.210777 -0.800563 -0.0445248 -0.559187 -36.0473 43.5366 44.4368 # jumping subtree containing (T0187)R103 jump= -0.0755999 -0.367126 0.379441 -0.845888 -50.5833 53.6102 55.7967 # Removing break before 12 # Removing break before 55 # jumping subtree containing (T0187)P91 jump= 0.935755 0.31331 0.140066 0.0811307 11.0194 25.9242 -9.87295 # Removing break before 12 # Removing break before 12 # generation 30: best score out of 40: T0187.try1-al10 74.2002 cost/residue, 351 clashes 0.0026285 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 51 ## InsertFragment 114 ## TwoFragment 26 ## CrossOver 169 ## CrossAndInsert 63 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 49 ## OptSubtree 227 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 12 # jumping subtree containing (T0187)P91 jump= -0.996385 -0.0702145 -0.00746058 0.0472331 -5.6864 10.3005 -3.96401 # jumping subtree containing (T0187)R103 jump= 0.885589 0.251191 0.324988 -0.216838 -12.9238 22.6211 -38.049 # jumping subtree containing (T0187)V183 jump= 0.977084 -0.101804 -0.0522549 -0.179477 -2.78839 9.48649 -15.0048 # Removing break before 12 # Removing break before 12 # jumping subtree containing (T0187)T100 jump= 0.0415451 -0.392386 0.903396 0.16788 3.99163 -0.578609 -22.1884 # jumping subtree containing (T0187)R103 jump= -0.83917 0.472105 0.159164 -0.218121 16.5823 17.8953 18.7748 # Removing break before 12 # jumping subtree containing (T0187)W204 jump= -0.725039 0.368304 -0.581462 0.0239464 -26.6045 -41.613 7.96802 # jumping subtree containing (T0187)A153 jump= 0.00114477 -0.685592 0.232853 -0.689741 -53.0345 11.6271 55.1751 # generation 31: best score out of 40: T0187.try1-al10 74.0988 cost/residue, 353 clashes 0.0185035 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 51 ## InsertFragment 114 ## TwoFragment 26 ## CrossOver 180 ## CrossAndInsert 63 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 53 ## OptSubtree 245 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 12 # Removing break before 58 # jumping subtree containing (T0187)A153 jump= -0.446588 -0.655513 0.397363 0.46148 42.9573 65.2847 -0.36169 # jumping subtree containing (T0187)D196 jump= -0.779917 0.210251 0.0785943 -0.584248 -13.0129 25.3868 21.0177 # jumping subtree containing (T0187)L149 jump= -0.766183 0.0594963 -0.187973 -0.611629 -34.2558 35.4249 15.7957 # jumping subtree containing (T0187)P91 jump= 0.0476346 0.273545 0.948872 0.150155 -65.4727 32.6848 37.6866 # jumping subtree containing (T0187)R103 jump= 0.69864 0.235323 -0.59386 0.322266 11.4858 29.8133 60.6188 # Removing break before 12 # Removing break before 12 # Removing break before 12 # generation 32: best score out of 40: T0187.try1-al10 74.0635 cost/residue, 354 clashes 0.00783552 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 51 ## InsertFragment 114 ## TwoFragment 26 ## CrossOver 189 ## CrossAndInsert 63 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 57 ## OptSubtree 256 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= 0.734971 -0.541755 -0.404956 -0.0482718 -3.11684 -9.31781 76.7849 # jumping subtree containing (T0187)S227 jump= -0.173407 0.400481 -0.890086 0.131494 -43.494 -14.6441 73.6189 # Removing break before 58 # jumping subtree containing (T0187)R103 jump= -0.733265 0.246211 -0.533471 0.342214 -26.3681 4.20629 14.9091 # jumping subtree containing (T0187)L149 jump= -0.620008 -0.321312 0.678627 -0.227628 -51.3641 3.56151 36.5836 # jumping subtree containing (T0187)L149 jump= 0.790036 -0.482436 0.0706701 -0.371624 -47.4724 -38.4036 41.4928 # jumping subtree containing (T0187)R103 jump= -0.205203 -0.381465 0.306028 -0.847775 -42.5759 54.4096 20.7044 # Removing break before 58 # jumping subtree containing (T0187)S126 jump= 0.619461 0.362611 0.447205 0.533657 -35.8452 44.4577 -34.0036 # Removing break before 58 # jumping subtree containing (T0187)P91 jump= 0.276787 0.851622 -0.137713 -0.423278 -4.52211 -11.2403 31.45 # generation 33: best score out of 40: T0187.try1-al10 74.0635 cost/residue, 354 clashes 0.00783562 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 51 ## InsertFragment 114 ## TwoFragment 26 ## CrossOver 194 ## CrossAndInsert 63 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 57 ## OptSubtree 282 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # jumping subtree containing (T0187)S126 jump= 0.416873 0.557407 -0.508379 -0.507016 -10.83 -4.501 -23.8087 # jumping subtree containing (T0187)S126 jump= 0.963338 0.0228906 0.264339 0.0397502 -4.29573 -11.026 -29.483 # jumping subtree containing (T0187)D94 jump= 0.815782 0.556421 -0.0813276 0.135209 15.4035 60.0866 8.09583 # jumping subtree containing (T0187)S227 jump= 0.778331 -0.174689 0.577811 -0.172679 -64.5534 -41.8192 17.5656 # Removing break before 62 # jumping subtree containing (T0187)S126 jump= 0.811157 0.502568 0.24142 -0.176536 -32.3444 43.8497 -22.3544 # generation 34: best score out of 40: T0187.try1-al10 74.0616 cost/residue, 358 clashes 0.0109805 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 51 ## InsertFragment 115 ## TwoFragment 26 ## CrossOver 201 ## CrossAndInsert 63 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 59 ## OptSubtree 303 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= -0.885181 0.167276 0.380407 -0.209197 -1.22792 -0.724933 34.7109 # jumping subtree containing (T0187)R103 jump= 0.614297 -0.314526 -0.722313 0.0444632 -37.8762 27.8021 52.0709 # jumping subtree containing (T0187)P91 jump= 0.998465 0.0218425 -0.0508206 0.00263518 17.7937 -5.43659 -21.9217 # Removing break before 62 # Removing break before 62 # Removing break before 62 # Removing break before 62 # Removing break before 62 # Removing break before 62 # jumping subtree containing (T0187)A153 jump= 0.851548 0.345002 -0.122866 -0.375157 12.7423 -12.0859 8.19643 # jumping subtree containing (T0187)E175 jump= 0.99874 -0.0180592 0.0133656 -0.044872 -6.58832 -24.5058 -14.1376 # jumping subtree containing (T0187)G123 jump= 0.52689 -0.518024 0.47858 0.47434 -15.5131 22.9884 -24.4396 # Removing break before 62 # jumping subtree containing (T0187)R103 jump= -0.896039 -0.323469 0.101545 0.286654 3.72309 25.4172 -20.6219 # jumping subtree containing (T0187)F178 jump= 0.657446 -0.0783944 -0.747563 -0.0526133 -20.8937 -2.68554 96.7166 # jumping subtree containing (T0187)A153 jump= 0.772904 -0.419381 -0.0124766 0.476008 -26.6704 14.3363 -26.4931 # generation 35: best score out of 40: T0187.try1-al10 73.9808 cost/residue, 339 clashes 0.0109806 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 51 ## InsertFragment 115 ## TwoFragment 26 ## CrossOver 207 ## CrossAndInsert 64 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 61 ## OptSubtree 320 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)P91 jump= 0.99681 -0.0301506 0.0544709 0.0499286 8.02394 -8.58061 3.82858 # jumping subtree containing (T0187)A153 jump= -0.124543 -0.578638 -0.247005 0.767239 -47.4411 4.09806 -8.97976 # jumping subtree containing (T0187)V117 jump= 0.255233 0.0771361 0.905973 0.328816 -72.2084 7.42508 1.4514 # Removing break before 68 # jumping subtree containing (T0187)N159 jump= 0.920352 0.266757 -0.113159 -0.262657 -7.12393 0.407083 15.117 # Removing break before 68 # jumping subtree containing (T0187)S126 jump= -0.464975 0.546228 0.528507 -0.453997 -14.8596 51.9422 77.3909 # Removing break before 62 # Removing break before 62 # generation 36: best score out of 40: T0187.try1-al10 73.9808 cost/residue, 339 clashes 0.0109806 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 51 ## InsertFragment 116 ## TwoFragment 26 ## CrossOver 213 ## CrossAndInsert 64 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 64 ## OptSubtree 340 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)T209 jump= -0.882899 0.347002 -0.300424 -0.0991204 -8.27482 -42.5701 -13.2452 # Removing break before 68 # Removing break before 12 # jumping subtree containing (T0187)N159 jump= 0.757467 -0.00177864 -0.356922 0.54667 -19.8069 24.7554 49.5607 # jumping subtree containing (T0187)S126 jump= 0.484031 -0.128764 -0.165379 -0.849578 -91.5794 0.148723 13.3319 # generation 37: best score out of 40: T0187.try1-al10 73.9628 cost/residue, 346 clashes 0.0109806 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 51 ## InsertFragment 116 ## TwoFragment 26 ## CrossOver 225 ## CrossAndInsert 64 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 68 ## OptSubtree 356 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A199 jump= -0.79217 0.208322 0.147871 -0.554259 -14.3674 22.2462 13.4855 # Removing break before 68 # Removing break before 68 # jumping subtree containing (T0187)S126 jump= -0.91128 0.0576345 0.138831 0.383371 -45.2925 -12.3566 -2.28517 # Removing break before 68 # jumping subtree containing (T0187)R103 jump= 0.616925 -0.622776 0.414683 0.244113 9.51164 21.0449 9.9497 # jumping subtree containing (T0187)S126 jump= -0.716463 0.613946 -0.290267 0.159677 -30.0394 -23.3761 44.9588 # jumping subtree containing (T0187)S210 jump= -0.184257 0.580356 0.45435 -0.650233 7.83364 23.7735 20.205 # jumping subtree containing (T0187)N159 jump= -0.377159 0.0575842 -0.142968 0.913234 -79.3039 -29.5259 17.0201 # jumping subtree containing (T0187)S126 jump= -0.997167 -0.0709389 0.0247603 0.00352086 8.42371 19.1197 -10.9764 # jumping subtree containing (T0187)P91 jump= 0.876139 -0.335127 -0.255762 -0.233785 -18.1516 -8.57589 45.8885 # jumping subtree containing (T0187)N159 jump= -0.883754 -0.220209 -0.28843 0.295456 -22.206 17.201 -13.1136 # generation 38: best score out of 40: T0187.try1-al10 73.9628 cost/residue, 346 clashes 0.0109806 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 51 ## InsertFragment 116 ## TwoFragment 26 ## CrossOver 237 ## CrossAndInsert 64 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 71 ## OptSubtree 368 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N159 jump= 0.675659 0.68266 0.200722 0.192798 -9.91535 22.6129 3.43912 # jumping subtree containing (T0187)R103 jump= 0.669335 0.113225 0.698399 0.226734 -73.0031 2.81093 -8.75122 # jumping subtree containing (T0187)R103 jump= 0.744965 0.124463 -0.636415 -0.15656 -28.6638 -3.95011 40.6213 # jumping subtree containing (T0187)N159 jump= -0.356439 0.176211 -0.868976 0.294586 -73.0181 12.7406 28.5695 # Removing break before 12 # jumping subtree containing (T0187)R103 jump= -0.456937 0.00306623 0.385856 -0.801445 -4.4515 47.3058 25.7709 # jumping subtree containing (T0187)G135 jump= -0.991634 0.117567 -0.0357655 -0.0395038 -11.8549 -13.1644 4.77861 # jumping subtree containing (T0187)L195 jump= 0.628689 -0.703579 0.201942 0.262576 -27.7148 -51.1956 21.1068 # jumping subtree containing (T0187)E223 jump= -0.943359 0.214354 -0.0226948 0.252211 16.064 -21.0429 8.74327 # generation 39: best score out of 40: T0187.try1-al10 73.9628 cost/residue, 346 clashes 0.0109807 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 51 ## InsertFragment 116 ## TwoFragment 26 ## CrossOver 243 ## CrossAndInsert 64 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 76 ## OptSubtree 391 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= -0.613657 0.358546 0.0144585 0.703321 -86.4143 -13.3922 36.5397 # jumping subtree containing (T0187)R103 jump= -0.746298 -0.419509 0.503337 -0.117059 35.4943 20.2052 26.8427 # Removing break before 68 # jumping subtree containing (T0187)R103 jump= -0.438499 -0.578868 0.515308 -0.45507 -25.5099 14.4709 78.7326 # Removing break before 68 # jumping subtree containing (T0187)R103 jump= 0.822045 0.565034 -0.0617127 0.0342139 0.0212669 62.3547 -14.1606 # jumping subtree containing (T0187)S126 jump= 0.575234 -0.425563 0.696788 0.0498824 -18.6918 -24.9592 42.3898 # Removing break before 12 # generation 40: best score out of 40: T0187.try1-al10 73.4484 cost/residue, 393 clashes 0.0109807 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 117 ## TwoFragment 26 ## CrossOver 258 ## CrossAndInsert 64 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 77 ## OptSubtree 400 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N114 jump= -0.557236 0.701994 -0.430793 0.105401 7.64686 -12.2409 3.06135 # jumping subtree containing (T0187)R103 jump= 0.852132 0.240189 0.183823 0.42707 -34.0011 54.8507 3.78936 # jumping subtree containing (T0187)N159 jump= 0.438833 -0.790039 -0.133241 -0.406831 -6.78255 -16.0399 59.0211 # jumping subtree containing (T0187)F173 jump= -0.200686 -0.0908819 0.565467 0.794804 -61.4471 1.08075 -4.21286 # Removing break before 68 # Removing break before 68 # Removing break before 68 # jumping subtree containing (T0187)F178 jump= -0.999044 -0.00225377 0.011671 -0.0420713 9.3227 -5.68413 8.68279 # jumping subtree containing (T0187)N159 jump= 0.973572 -0.0946985 0.0526893 0.201033 21.9647 3.45554 2.0443 # jumping subtree containing (T0187)R103 jump= 0.414052 0.309261 -0.286297 -0.806817 -44.0701 4.44145 -31.1026 # generation 41: best score out of 40: T0187.try1-al10 73.3567 cost/residue, 403 clashes 0.0109805 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 120 ## TwoFragment 26 ## CrossOver 265 ## CrossAndInsert 65 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 83 ## OptSubtree 415 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K163 jump= -0.534663 -0.550573 -0.469476 0.436574 -80.2643 59.67 -21.1064 # jumping subtree containing (T0187)R103 jump= 0.988069 -0.0178091 0.127803 0.084074 -21.1845 12.6716 3.67538 # jumping subtree containing (T0187)R103 jump= -0.839437 -0.202879 0.174494 -0.473009 14.2581 56.5494 31.7047 # jumping subtree containing (T0187)G135 jump= -0.725059 -0.624688 0.28574 0.049059 4.49668 -4.94907 28.8532 # Removing break before 68 # jumping subtree containing (T0187)N159 jump= -0.981018 -0.0679361 -0.150787 0.101251 -22.6815 -13.8727 7.13653 # jumping subtree containing (T0187)N159 jump= -0.929082 0.152726 -0.182538 -0.283128 8.96128 -3.84141 -13.7462 # Removing break before 68 # jumping subtree containing (T0187)I98 jump= -0.868878 -0.281178 -0.392169 0.110429 -33.9279 11.3511 -46.8816 # Removing break before 68 # jumping subtree containing (T0187)L128 jump= 0.973188 -0.154153 0.169792 -0.0176746 -22.271 -34.73 -5.93283 # generation 42: best score out of 40: T0187.try1-al10 73.3566 cost/residue, 403 clashes 0.0109804 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 272 ## CrossAndInsert 66 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 88 ## OptSubtree 438 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G135 jump= -0.429931 -0.735774 -0.413229 -0.320995 -67.9974 126.798 -0.585361 # jumping subtree containing (T0187)R103 jump= -0.684918 0.289472 0.225743 0.629392 -54.3111 1.32887 32.3692 # Removing break before 68 # jumping subtree containing (T0187)N159 jump= -0.999772 -0.0196922 0.00246431 0.00787439 11.5492 -4.68776 25.4009 # Removing break before 68 # jumping subtree containing (T0187)R172 jump= -0.682089 -0.21749 -0.604046 -0.350115 -98.8987 33.5042 -9.41953 # generation 43: best score out of 40: T0187.try1-al10 73.3067 cost/residue, 397 clashes 0.0109806 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 278 ## CrossAndInsert 66 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 89 ## OptSubtree 461 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G135 jump= -0.046756 0.664506 0.300324 0.68268 -83.2078 37.2652 71.2052 # jumping subtree containing (T0187)R103 jump= -0.297729 0.258136 0.265652 -0.879859 -57.9427 88.9955 23.4756 # jumping subtree containing (T0187)L128 jump= -0.905173 -0.155939 -0.196284 0.343245 -38.4338 -21.6339 -47.3616 # jumping subtree containing (T0187)E175 jump= 0.998223 0.0246094 0.0448516 -0.03057 -15.3127 -10.8124 -15.2725 # jumping subtree containing (T0187)R103 jump= -0.801116 -0.325825 0.170309 0.472277 -12.9301 -5.50893 -12.2198 # Removing break before 68 # jumping subtree containing (T0187)N159 jump= -0.999854 0.00610829 0.00921428 0.0129917 -6.64782 -22.0603 -8.5431 # generation 44: best score out of 40: T0187.try1-al10 73.3062 cost/residue, 397 clashes 0.0109805 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 284 ## CrossAndInsert 66 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 93 ## OptSubtree 480 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G135 jump= -0.460705 -0.474171 0.523484 0.537473 -17.326 -16.8615 -23.1353 # jumping subtree containing (T0187)N159 jump= 0.496058 -0.302825 0.541667 0.607306 -5.67453 -3.53068 7.47469 # Removing break before 68 # jumping subtree containing (T0187)G125 jump= -0.966521 -0.0579078 -0.0495564 -0.245008 7.00839 32.3742 6.94139 # generation 45: best score out of 40: T0187.try1-al10 73.2827 cost/residue, 397 clashes 0.0109805 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 300 ## CrossAndInsert 66 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 96 ## OptSubtree 493 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= -0.173466 -0.168187 -0.82159 -0.516346 -75.5559 21.734 25.098 # jumping subtree containing (T0187)N159 jump= -0.740927 0.43254 -0.46762 -0.212761 -11.8926 -21.4419 8.90536 # jumping subtree containing (T0187)R103 jump= -0.179873 0.218263 -0.20481 0.937048 -69.5043 43.3612 54.3491 # jumping subtree containing (T0187)P91 jump= -0.105124 0.461347 0.144902 -0.868971 -28.8949 38.4548 17.5662 # jumping subtree containing (T0187)R103 jump= -0.723037 0.673792 -0.0333667 0.148688 -18.3747 -9.51158 34.2429 # jumping subtree containing (T0187)R103 jump= 0.908766 0.152897 -0.194588 -0.33601 -40.0487 -12.6955 -8.76347 # jumping subtree containing (T0187)N159 jump= -0.960787 0.255922 -0.038481 0.0995529 -12.5717 6.07397 -9.37714 # jumping subtree containing (T0187)R103 jump= -0.497548 0.477376 -0.513583 0.510677 -74.9747 15.1662 40.505 # generation 46: best score out of 40: T0187.try1-al10 73.2827 cost/residue, 397 clashes 0.0109805 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 315 ## CrossAndInsert 66 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 97 ## OptSubtree 509 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= -0.453214 -0.726407 0.0542662 0.513795 0.849601 40.8121 -21.2665 # jumping subtree containing (T0187)P91 jump= 0.730399 -0.521521 -0.342591 -0.277787 7.82385 1.9188 29.8661 # jumping subtree containing (T0187)R103 jump= 0.22835 -0.427688 -0.833755 0.264181 -60.4904 69.8911 75.7583 # generation 47: best score out of 40: T0187.try1-al10 73.2826 cost/residue, 397 clashes 0.0109805 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 321 ## CrossAndInsert 66 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 98 ## OptSubtree 533 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)P91 jump= -0.68056 -0.713372 0.0622603 0.155121 -19.2495 35.0515 18.5472 # Removing break before 68 # jumping subtree containing (T0187)H164 jump= -0.981309 -0.131561 0.138952 0.020398 -8.78269 -7.94152 -10.2846 # generation 48: best score out of 40: T0187.try1-al10 73.2826 cost/residue, 397 clashes 0.0109805 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 327 ## CrossAndInsert 66 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 101 ## OptSubtree 553 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.345832 0.103952 0.466919 0.807206 -95.1281 19.268 5.98853 # jumping subtree containing (T0187)N159 jump= 0.998145 -0.0407719 -0.0123217 0.0434992 20.957 -5.59036 -6.24533 # jumping subtree containing (T0187)N159 jump= -0.999998 0.00166769 2.42998e-05 -0.000956995 -20.1999 -1.05986 -6.67529 # jumping subtree containing (T0187)P91 jump= 0.280339 0.959403 0.0197845 0.0237819 -14.0474 70.7257 32.2707 # Removing break before 68 # jumping subtree containing (T0187)R103 jump= -0.815888 -0.128616 0.0230962 0.56325 -43.1529 18.8755 -33.3161 # jumping subtree containing (T0187)N159 jump= -0.757951 0.24807 -0.25559 -0.546484 -12.2437 49.2207 -34.0476 # Removing break before 68 # jumping subtree containing (T0187)R103 jump= -0.662496 -0.27576 -0.0396625 -0.69533 -2.98049 81.4706 -27.8087 # jumping subtree containing (T0187)N159 jump= 0.477541 -0.365283 -0.724845 -0.336338 -50.8178 -18.0806 30.2757 # generation 49: best score out of 40: T0187.try1-al10 73.2826 cost/residue, 397 clashes 0.0109805 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 335 ## CrossAndInsert 66 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 102 ## OptSubtree 571 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N159 jump= 0.968809 -0.00538996 -0.243142 -0.04756 -2.04401 2.61289 39.8695 # jumping subtree containing (T0187)P91 jump= -0.569057 0.761347 -0.0868281 0.298305 3.22769 37.8134 44.6741 # jumping subtree containing (T0187)R103 jump= 0.388374 0.194101 0.354509 0.828139 -56.4686 33.9332 -7.77656 # jumping subtree containing (T0187)N159 jump= 0.963334 0.0541573 -0.20262 0.167331 20.7056 9.27773 11.1021 # jumping subtree containing (T0187)R103 jump= 0.615707 -0.470987 0.520161 -0.358481 -72.2453 6.63724 48.0667 # Removing break before 68 # jumping subtree containing (T0187)N159 jump= 0.253955 -0.147678 0.125888 -0.94755 -62.9498 17.3402 28.897 # jumping subtree containing (T0187)N159 jump= 0.826425 -0.00608406 0.458724 0.326431 -18.6987 29.5155 -47.2454 # jumping subtree containing (T0187)R103 jump= -0.0989657 0.506755 -0.762204 0.390448 -34.9571 47.9352 77.0564 # generation 50: best score out of 40: T0187.try1-al10 73.2825 cost/residue, 397 clashes 0.0109804 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 345 ## CrossAndInsert 66 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 104 ## OptSubtree 585 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= -0.637095 -0.557564 0.422662 -0.323403 37.0574 79.3316 64.1059 # jumping subtree containing (T0187)N159 jump= -0.841498 0.204366 -0.241925 -0.437708 -11.0527 -13.6585 21.2967 # Removing break before 68 # Removing break before 68 # jumping subtree containing (T0187)N159 jump= -0.484394 -0.746696 -0.25405 -0.378505 -16.0091 62.8537 16.2303 # generation 51: best score out of 40: T0187.try1-al10 73.2825 cost/residue, 397 clashes 0.0109804 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 355 ## CrossAndInsert 66 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 106 ## OptSubtree 605 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.232138 -0.225265 -0.834915 -0.445292 -73.054 -16.7596 52.0921 # Removing break before 68 # Removing break before 68 # jumping subtree containing (T0187)R103 jump= -0.910236 -0.108801 0.0888054 -0.389546 28.1878 21.5556 12.3834 # jumping subtree containing (T0187)R103 jump= 0.827185 -0.248816 -0.00748402 0.503785 34.8132 17.3306 21.2613 # jumping subtree containing (T0187)E226 jump= -0.952717 -0.0386527 -0.0905952 -0.287451 -15.3678 4.08208 -21.4995 # jumping subtree containing (T0187)S200 jump= -0.997591 0.00739024 -0.064236 0.025125 -13.014 13.5826 6.24597 # Removing break before 12 # jumping subtree containing (T0187)S200 jump= -0.780291 -0.0398331 0.296865 0.549027 -14.5443 -10.1672 9.66858 # generation 52: best score out of 40: T0187.try1-al10 73.2242 cost/residue, 371 clashes 0.0109804 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 363 ## CrossAndInsert 67 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 106 ## OptSubtree 625 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.054375 0.00960873 0.968242 0.243841 -15.1914 -37.7529 99.8265 # Removing break before 68 # jumping subtree containing (T0187)N159 jump= -0.893491 0.230132 -0.214497 -0.320474 -17.0297 22.3412 -3.46896 # Removing break before 68 # jumping subtree containing (T0187)R103 jump= 0.424057 -0.0721831 0.605103 0.669937 -37.5254 -18.4836 24.58 # jumping subtree containing (T0187)S200 jump= -0.247253 -0.459586 -0.848477 -0.08794 -75.637 19.7727 92.5816 # Removing break before 68 # Removing break before 68 # generation 53: best score out of 40: T0187.try1-al10 73.2241 cost/residue, 371 clashes 0.0109805 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 374 ## CrossAndInsert 67 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 109 ## OptSubtree 635 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # Removing break before 68 # jumping subtree containing (T0187)V190 jump= -0.980097 -0.145058 -0.12902 -0.0415011 -38.3985 20.9524 -13.4921 # jumping subtree containing (T0187)P91 jump= -0.637566 0.0593544 0.72022 -0.266964 27.0388 32.3864 78.0423 # jumping subtree containing (T0187)R103 jump= 0.261681 -0.473428 -0.836679 0.0857747 -4.4119 40.0812 160.627 # jumping subtree containing (T0187)N159 jump= -0.990405 0.115621 0.0133316 -0.0745073 -15.1327 0.986637 17.2654 # generation 54: best score out of 40: T0187.try1-al10 73.224 cost/residue, 371 clashes 0.0109805 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 390 ## CrossAndInsert 67 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 110 ## OptSubtree 652 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N159 jump= 0.99985 -0.00304447 -0.0163628 -0.00468961 -15.7863 -0.01105 18.3324 # jumping subtree containing (T0187)E226 jump= 0.910573 -0.182655 0.0458765 -0.367952 -43.6731 -29.642 3.68813 # jumping subtree containing (T0187)E226 jump= -0.622941 -0.602425 0.160372 -0.472556 -27.6559 97.2847 75.4654 # Removing break before 68 # Removing break before 68 # jumping subtree containing (T0187)P91 jump= -0.964513 -0.0150378 0.259987 0.0435294 34.9196 -9.04975 37.6052 # Removing break before 68 # generation 55: best score out of 40: T0187.try1-al10 73.2239 cost/residue, 371 clashes 0.0109804 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 399 ## CrossAndInsert 67 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 112 ## OptSubtree 668 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S200 jump= 0.744451 -0.465055 -0.295837 -0.376825 -0.631374 -47.2648 67.8941 # Removing break before 68 # jumping subtree containing (T0187)S200 jump= 0.883202 0.393743 0.254237 0.0168727 -23.8459 56.145 26.8606 # Removing break before 68 # jumping subtree containing (T0187)R103 jump= -0.932087 -0.334687 -0.130753 -0.0458345 -40.0343 28.4893 18.9333 # generation 56: best score out of 40: T0187.try1-al10 73.2239 cost/residue, 371 clashes 0.0109804 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 412 ## CrossAndInsert 67 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 114 ## OptSubtree 685 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)R103 jump= 0.729409 -0.228156 -0.0162662 -0.644703 -17.9243 -27.0719 31.1042 # jumping subtree containing (T0187)R103 jump= -0.542158 0.784863 -0.0645447 -0.293068 10.6765 -25.6039 110.49 # jumping subtree containing (T0187)S200 jump= 0.941209 0.0134756 0.311211 0.130734 -26.3328 18.4756 -12.9459 # jumping subtree containing (T0187)N159 jump= 0.537677 0.0421793 -0.84091 0.0446648 34.2319 15.5961 115.992 # jumping subtree containing (T0187)S200 jump= -0.946642 -0.198221 -0.0222521 0.253145 -7.18244 27.0156 -9.94293 # jumping subtree containing (T0187)E226 jump= 0.0250101 0.693914 -0.607936 0.385062 -82.1325 4.3187 138.78 # jumping subtree containing (T0187)E226 jump= -0.100748 0.845611 0.0980592 -0.514952 27.8324 16.1682 76.9099 # jumping subtree containing (T0187)F178 jump= 0.225544 0.308285 -0.798641 -0.465041 -8.13206 -32.2837 70.9829 # Removing break before 68 # generation 57: best score out of 40: T0187.try1-al10 73.2238 cost/residue, 371 clashes 0.0109808 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 423 ## CrossAndInsert 67 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 114 ## OptSubtree 698 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)N159 jump= 0.143919 -0.966867 -0.208079 -0.0340419 -14.3356 26.2107 83.9757 # jumping subtree containing (T0187)R103 jump= 0.973613 0.0605096 -0.201623 0.0881109 39.4691 17.645 -0.0277061 # jumping subtree containing (T0187)E226 jump= 0.0274953 -0.309264 0.0529484 0.949103 36.2049 2.19652 20.9963 # jumping subtree containing (T0187)N159 jump= -0.967156 -0.0239814 0.222383 0.120748 33.62 -16.3287 10.5283 # jumping subtree containing (T0187)N159 jump= -0.99611 0.0666616 0.0574793 0.00424354 23.4125 -16.9324 10.0745 # Removing break before 68 # jumping subtree containing (T0187)V197 jump= -0.609596 0.552459 -0.566457 0.0480483 -51.7661 -22.8291 52.3712 # jumping subtree containing (T0187)V197 jump= 0.816703 -0.00115158 -0.234266 0.527365 10.3023 47.6273 44.089 # generation 58: best score out of 40: T0187.try1-al10 73.2238 cost/residue, 371 clashes 0.0109807 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 435 ## CrossAndInsert 67 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 114 ## OptSubtree 710 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N159 jump= 0.396002 -0.0126495 -0.179974 0.900351 -29.4615 61.7977 13.4913 # jumping subtree containing (T0187)V197 jump= -0.0672769 -0.671905 -0.534585 0.50817 -16.2497 92.5094 67.9818 # jumping subtree containing (T0187)E226 jump= -0.58894 -0.00170647 -0.687925 -0.424153 -71.5885 -5.03328 30.8202 # Removing break before 68 # jumping subtree containing (T0187)S200 jump= 0.984136 0.153918 0.0590426 -0.0655689 -7.34127 45.5835 -3.60316 # Removing break before 68 # Removing break before 68 # jumping subtree containing (T0187)S200 jump= -0.0260083 0.873314 -0.457965 -0.164059 11.506 -9.52374 74.2536 # jumping subtree containing (T0187)R103 jump= -0.547813 -0.231968 0.327918 0.733867 -6.8127 8.41292 1.11073 # generation 59: best score out of 40: T0187.try1-al10 73.2238 cost/residue, 371 clashes 0.0109807 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 446 ## CrossAndInsert 67 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 114 ## OptSubtree 723 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= 0.581677 0.458478 -0.57596 0.346007 -0.988101 42.0463 65.5717 # jumping subtree containing (T0187)N159 jump= 0.987223 0.102946 -0.0996795 -0.0696973 41.9369 29.5867 4.60378 # jumping subtree containing (T0187)S200 jump= -0.841465 0.0784802 -0.49522 -0.201333 -83.4987 -42.6018 5.65418 # jumping subtree containing (T0187)N159 jump= -0.990423 -0.122974 -0.0333722 -0.0531609 5.10996 53.1592 -11.0046 # jumping subtree containing (T0187)A199 jump= -0.691849 -0.70456 0.0112252 0.157527 17.6968 78.6414 106.283 # Removing break before 68 # jumping subtree containing (T0187)V197 jump= 0.432126 -0.362019 -0.680103 -0.46869 -53.7088 -45.3115 62.8887 # jumping subtree containing (T0187)A153 jump= 0.834228 -0.307798 -0.132602 0.437881 20.3755 -11.9995 41.5561 # jumping subtree containing (T0187)R103 jump= 0.942218 -0.20453 0.264756 -0.0172498 -27.2958 -57.2751 4.33473 # jumping subtree containing (T0187)E226 jump= 0.379942 -0.710946 -0.591297 -0.0238192 30.81 -53.8002 170.596 # Removing break before 68 # jumping subtree containing (T0187)E226 jump= -0.691249 -0.385567 0.569728 -0.221186 36.6005 76.0827 90.7284 # jumping subtree containing (T0187)N159 jump= 0.180734 0.918487 -0.334451 0.108902 -38.8003 29.7023 213.109 # generation 60: best score out of 40: T0187.try1-al10 73.2237 cost/residue, 371 clashes 0.0109804 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 121 ## TwoFragment 26 ## CrossOver 449 ## CrossAndInsert 67 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 115 ## OptSubtree 745 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= -0.307114 -0.106893 -0.943647 0.0615291 -135.966 7.47478 120.651 # jumping subtree containing (T0187)S200 jump= -0.836429 -0.153438 0.170813 -0.497661 -21.5683 54.8085 10.3368 # jumping subtree containing (T0187)E226 jump= -0.920982 -0.356549 -0.1492 0.0490377 -25.0312 67.5131 37.4737 # jumping subtree containing (T0187)R103 jump= -0.264675 0.296358 -0.0916511 0.913082 -120.973 28.2865 38.7566 # jumping subtree containing (T0187)E226 jump= 0.982054 -0.163866 -0.0198727 0.0912321 -8.45657 -33.0775 -0.649276 # generation 61: best score out of 40: T0187.try1-al10 73.1705 cost/residue, 371 clashes 0.0111428 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 122 ## TwoFragment 26 ## CrossOver 460 ## CrossAndInsert 67 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 115 ## OptSubtree 757 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G135 jump= 0.540318 0.524332 0.0452561 0.65657 -128.06 107.778 79.6828 # jumping subtree containing (T0187)R103 jump= -0.831986 0.355514 -0.31578 0.285817 -104.183 -65.9308 24.2729 # jumping subtree containing (T0187)K219 jump= -0.09333 -0.457924 0.706972 -0.530835 -133.226 34.5406 120.567 # jumping subtree containing (T0187)E226 jump= -0.805747 0.0278803 -0.262309 0.530272 -37.5508 2.81294 14.9447 # Removing break before 68 # jumping subtree containing (T0187)R103 jump= 0.599305 0.66707 0.337565 -0.286185 -36.4053 120.943 76.7274 # jumping subtree containing (T0187)P91 jump= 0.991495 0.0249324 0.079316 -0.100127 -17.7282 -0.695345 23.5432 # jumping subtree containing (T0187)R103 jump= 0.953725 -0.0753923 0.266824 -0.116316 -52.9475 -0.5637 -8.12653 # jumping subtree containing (T0187)E226 jump= 0.753908 0.240637 0.113844 -0.600629 -1.52422 42.2227 -5.43974 # jumping subtree containing (T0187)L233 jump= 0.401055 0.499493 -0.163102 -0.750373 50.8349 -12.8276 35.5207 # Removing break before 68 # generation 62: best score out of 40: T0187.try1-al10 73.1569 cost/residue, 371 clashes 0.0183907 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 123 ## TwoFragment 26 ## CrossOver 469 ## CrossAndInsert 67 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 116 ## OptSubtree 778 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= 0.3916 0.0449928 0.14773 -0.907083 -90.9594 36.3861 -25.8042 # jumping subtree containing (T0187)R103 jump= 0.476112 0.44994 0.699653 -0.285231 -109.55 114.933 77.3702 # jumping subtree containing (T0187)E226 jump= 0.772682 -0.549645 0.101466 -0.300929 -41.9553 -82.7073 67.3682 # jumping subtree containing (T0187)E226 jump= 0.753711 0.609423 -0.222006 0.105998 17.0754 105.629 86.5996 # jumping subtree containing (T0187)R103 jump= -0.959258 0.223337 0.051261 -0.165277 21.9035 -19.7877 44.2689 # jumping subtree containing (T0187)E226 jump= -0.648658 0.0416631 0.526569 0.547934 11.0821 -49.2292 65.9588 # jumping subtree containing (T0187)L233 jump= 0.809205 -0.271407 0.428798 0.29607 -48.8774 -59.7034 48.483 # jumping subtree containing (T0187)E226 jump= -0.204778 -0.0537256 -0.799945 -0.561486 -50.5021 -57.4456 104.104 # jumping subtree containing (T0187)F178 jump= 0.671759 0.0360233 -0.626522 0.393589 85.0415 91.0408 133.438 # jumping subtree containing (T0187)E226 jump= 0.932554 0.183187 -0.107588 0.291908 -3.13622 64.3546 11.8812 # jumping subtree containing (T0187)E226 jump= 0.501232 -0.794604 -0.0667984 0.33602 66.3345 -57.0297 109.475 # jumping subtree containing (T0187)E226 jump= 0.670111 -0.556974 -0.485636 0.0699212 40.622 -26.1632 130.903 # generation 63: best score out of 40: T0187.try1-al10 73.0878 cost/residue, 404 clashes 0.0111428 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 124 ## TwoFragment 26 ## CrossOver 476 ## CrossAndInsert 67 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 116 ## OptSubtree 804 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E235 jump= 0.948335 0.256872 0.0332924 0.183218 -23.745 68.9991 -10.6121 # jumping subtree containing (T0187)E226 jump= -0.478876 -0.472063 0.469934 -0.571837 -10.287 129.004 90.6409 # jumping subtree containing (T0187)N159 jump= -0.576262 -0.0907526 0.192449 -0.789081 -39.5914 108.14 24.6168 # Removing break before 144 # Removing break before 144 # jumping subtree containing (T0187)E235 jump= -0.872667 0.345363 -0.170032 -0.300444 5.85734 -49.3261 0.350168 # Removing break before 68 # Removing break before 68 # jumping subtree containing (T0187)N159 jump= -0.904566 0.203557 0.184153 0.326209 -6.37414 -51.1967 51.0463 # jumping subtree containing (T0187)N159 jump= -0.981314 0.0403971 0.0864866 -0.167068 7.87338 23.8609 17.6238 # jumping subtree containing (T0187)N159 jump= 0.0936935 -0.55732 -0.376031 0.734313 8.22824 103.568 71.5309 # jumping subtree containing (T0187)S200 jump= -0.816204 -0.0726114 0.317814 0.477004 14.6387 -60.9604 23.3067 # jumping subtree containing (T0187)L233 jump= 0.184452 0.651496 0.49408 -0.545359 10.5452 100.157 124.692 # jumping subtree containing (T0187)L233 jump= 0.968649 -0.204934 0.0759169 -0.118141 -13.1489 -17.8717 1.47779 # Removing break before 144 # jumping subtree containing (T0187)R103 jump= -0.969891 -0.112992 -0.057396 -0.207965 -9.92281 21.8666 1.99831 # generation 64: best score out of 40: T0187.try1-al10 73.0878 cost/residue, 404 clashes 0.0111428 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 124 ## TwoFragment 26 ## CrossOver 486 ## CrossAndInsert 67 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 116 ## OptSubtree 826 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= 0.580342 0.262993 -0.620843 -0.456718 28.4287 -52.1755 78.8695 # jumping subtree containing (T0187)E226 jump= 0.0357969 -0.382645 0.701506 -0.600158 -69.6621 58.8677 140.956 # jumping subtree containing (T0187)S200 jump= -0.987076 -0.0656913 -0.125784 0.0744521 -42.1835 -7.37671 1.94486 # Removing break before 12 # jumping subtree containing (T0187)E226 jump= -0.932635 0.355048 -0.0456049 -0.0453125 -33.3146 -58.326 32.9592 # jumping subtree containing (T0187)E226 jump= -0.996994 -0.0371831 0.0300505 0.0609736 -21.7424 9.58226 -8.79146 # jumping subtree containing (T0187)R103 jump= -0.874899 -0.386045 -0.025588 0.291317 4.32401 47.3859 -11.3473 # jumping subtree containing (T0187)E226 jump= 0.989808 0.0565896 -0.0982911 0.0861222 28.6937 19.261 18.9626 # generation 65: best score out of 40: T0187.try1-al10 73.0427 cost/residue, 403 clashes 0.0183909 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 124 ## TwoFragment 26 ## CrossOver 494 ## CrossAndInsert 67 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 117 ## OptSubtree 851 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N159 jump= -0.890442 -0.123835 0.396347 0.186243 70.2119 -3.51688 70.042 # jumping subtree containing (T0187)L233 jump= 0.449461 -0.765742 0.156788 -0.432483 -80.7308 -53.0231 144.273 # jumping subtree containing (T0187)P91 jump= -0.15923 -0.460347 -0.704605 0.516001 -49.9218 110.287 125.73 # jumping subtree containing (T0187)L233 jump= 0.0268937 -0.468126 0.158462 -0.868921 -101.667 18.366 71.9249 # Removing break before 68 # jumping subtree containing (T0187)K215 jump= -0.274143 0.165507 0.210846 -0.923578 -5.73252 22.1574 24.3523 # jumping subtree containing (T0187)N159 jump= 0.479647 0.0740435 0.559782 -0.671641 -111.222 51.5503 40.507 # Removing break before 68 # jumping subtree containing (T0187)S200 jump= -0.056481 0.564275 -0.116852 0.815321 -152.81 9.21412 109.871 # jumping subtree containing (T0187)R103 jump= 0.928432 -0.139055 -0.233575 -0.253218 31.9996 -65.7726 43.0492 # jumping subtree containing (T0187)R103 jump= 0.498333 0.744373 -0.235906 0.376724 -31.0088 95.6046 116.086 # jumping subtree containing (T0187)L233 jump= -0.977126 0.0113582 0.199508 -0.0727459 52.5858 18.3691 7.40472 # jumping subtree containing (T0187)S200 jump= 0.996067 -0.0201858 -0.0852919 0.0129446 2.19599 -23.5942 2.4226 # generation 66: best score out of 40: T0187.try1-al10 73.0426 cost/residue, 403 clashes 0.0183909 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 124 ## TwoFragment 26 ## CrossOver 502 ## CrossAndInsert 67 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 123 ## OptSubtree 872 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E235 jump= 0.884887 -0.00892675 -0.0860753 -0.457697 -29.6302 -15.1652 -6.15048 # jumping subtree containing (T0187)R103 jump= 0.918866 0.0486754 0.295121 0.257329 -57.8751 -1.21034 -8.21297 # jumping subtree containing (T0187)E235 jump= -0.343954 0.79854 -0.105685 0.482556 -106.598 9.78681 223.162 # jumping subtree containing (T0187)P91 jump= 0.166872 -0.187632 -0.376227 -0.891853 -93.6197 -30.654 33.9132 # jumping subtree containing (T0187)N159 jump= -0.991345 -0.0620684 -0.115067 0.0119 -48.3738 17.3497 -30.7603 # Removing break before 68 # jumping subtree containing (T0187)L120 jump= 0.980364 0.00490847 -0.063702 -0.186559 -7.00658 -9.38736 -13.946 # Removing break before 144 # jumping subtree containing (T0187)E226 jump= 0.998481 -0.0190426 0.00585527 -0.0513596 -0.422235 8.80161 21.9966 # jumping subtree containing (T0187)E130 jump= 0.968767 -0.118563 -0.215546 -0.0311914 8.4457 -31.4978 43.5471 # generation 67: best score out of 40: T0187.try1-al10 73.0268 cost/residue, 384 clashes 0.0183907 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 124 ## TwoFragment 26 ## CrossOver 505 ## CrossAndInsert 68 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 124 ## OptSubtree 894 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= 0.862854 -0.229523 0.00527225 -0.450305 -35.7072 -57.9934 24.5589 # jumping subtree containing (T0187)R103 jump= 0.882218 0.108035 0.0272593 -0.457468 4.27873 -18.8708 -4.87456 # jumping subtree containing (T0187)G221 jump= 0.444064 -0.435952 0.14949 -0.768379 -96.9505 -19.7579 27.7575 # jumping subtree containing (T0187)E235 jump= 0.582687 0.339839 -0.687401 0.269192 9.9836 82.3655 129.712 # jumping subtree containing (T0187)P91 jump= -0.406023 0.108221 -0.272372 -0.86559 -61.5571 -25.1145 -6.63525 # jumping subtree containing (T0187)E235 jump= 0.984115 0.154228 0.0794108 0.0377592 -2.44 49.8412 -5.35837 # jumping subtree containing (T0187)E235 jump= -0.498648 0.421802 -0.75072 0.0992643 -92.0647 -54.2454 115.515 # jumping subtree containing (T0187)R103 jump= -0.804545 -0.147763 -0.536814 0.20665 -160.292 51.6332 23.0649 # jumping subtree containing (T0187)E235 jump= -0.982106 -0.0535499 0.16473 0.0739198 2.86691 -12.1724 11.1585 # jumping subtree containing (T0187)E235 jump= -0.451276 0.274165 -0.685666 -0.501045 -84.4686 -109.425 104.021 # jumping subtree containing (T0187)N159 jump= -0.292801 0.223707 -0.434967 -0.8216 -61.5652 -57.476 32.4898 # generation 68: best score out of 40: T0187.try1-al10 72.8714 cost/residue, 383 clashes 0.0109804 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 124 ## TwoFragment 26 ## CrossOver 517 ## CrossAndInsert 68 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 125 ## OptSubtree 910 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= -0.786586 0.451985 -0.142746 -0.395748 7.36073 -4.00361 16.9487 # jumping subtree containing (T0187)E235 jump= 0.977738 -0.112357 -0.0585979 -0.167246 5.35284 -50.6594 11.49 # Removing break before 144 # jumping subtree containing (T0187)S200 jump= -0.757016 -0.174993 0.499663 0.382939 80.5894 -25.1083 65.5182 # jumping subtree containing (T0187)S200 jump= -0.878854 -0.122487 0.0486988 0.45852 -9.42904 -31.2618 15.9803 # jumping subtree containing (T0187)E235 jump= 0.996748 -0.0354919 0.0696978 0.0193982 -6.16246 -11.5386 -12.1896 # jumping subtree containing (T0187)P91 jump= -0.0765195 0.694179 0.477996 0.53271 -108.179 -27.6821 178.616 # jumping subtree containing (T0187)E235 jump= 0.721826 0.157513 0.475172 0.47788 -112.221 25.2296 9.09297 # jumping subtree containing (T0187)E235 jump= 0.943276 0.282874 -0.135727 0.108583 49.8913 99.878 39.7145 # jumping subtree containing (T0187)G123 jump= 0.923517 0.050471 -0.207756 -0.318443 13.1802 -36.2254 30.9195 # jumping subtree containing (T0187)S200 jump= 0.819821 0.191069 0.533063 -0.0850268 -118.871 20.2346 28.133 # generation 69: best score out of 40: T0187.try1-al10 72.8713 cost/residue, 383 clashes 0.0109806 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 124 ## TwoFragment 26 ## CrossOver 528 ## CrossAndInsert 68 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 127 ## OptSubtree 930 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)E235 jump= -0.0543926 -0.946579 0.134393 -0.288043 -38.6262 23.9111 195.199 # jumping subtree containing (T0187)P237 jump= 0.29646 -0.103711 0.387543 -0.866698 -102.971 53.6744 13.8508 # jumping subtree containing (T0187)E235 jump= -0.997062 -0.048815 0.00804865 0.0584783 -15.4439 24.4116 0.55684 # jumping subtree containing (T0187)E226 jump= 0.452549 0.770959 0.43439 0.110116 -50.0809 76.1329 142.357 # Removing break before 68 # jumping subtree containing (T0187)G125 jump= -0.509288 0.155532 0.563942 -0.631193 29.461 130.68 106.901 # jumping subtree containing (T0187)L233 jump= 0.623056 0.119883 0.762508 -0.126533 -203.969 63.675 97.8136 # jumping subtree containing (T0187)E226 jump= -0.704231 0.507597 0.362061 -0.339582 67.7723 -28.5922 80.8484 # jumping subtree containing (T0187)R103 jump= 0.949708 0.00620716 -0.307758 -0.0574526 14.3386 -7.33381 45.6712 # generation 70: best score out of 40: T0187.try1-al10 72.8713 cost/residue, 383 clashes 0.0109804 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 124 ## TwoFragment 26 ## CrossOver 538 ## CrossAndInsert 68 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 127 ## OptSubtree 952 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G125 jump= -0.868862 0.0153879 0.0579119 0.491415 -55.8007 -22.1904 29.9002 # jumping subtree containing (T0187)I158 jump= -0.873927 0.217852 -0.0757756 0.427844 -62.9271 -70.1529 18.2755 # jumping subtree containing (T0187)K99 jump= -0.212382 0.472927 -0.034322 0.854433 -145.462 9.671 52.3749 # jumping subtree containing (T0187)L120 jump= 0.391204 0.50698 -0.636649 -0.429662 55.8529 -64.3677 113.879 # jumping subtree containing (T0187)E226 jump= -0.562702 0.637837 0.093533 -0.517478 46.4708 -23.2602 87.4687 # Removing break before 68 # jumping subtree containing (T0187)I141 jump= 0.344839 0.767204 0.0228005 0.540336 -119.415 138.536 196.717 # jumping subtree containing (T0187)V197 jump= 0.556696 0.283068 -0.711409 -0.322272 46.4023 -32.1994 142.364 # generation 71: best score out of 40: T0187.try1-al10 72.8711 cost/residue, 383 clashes 0.0109807 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 124 ## TwoFragment 26 ## CrossOver 553 ## CrossAndInsert 68 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 127 ## OptSubtree 967 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)E226 jump= -0.346876 -0.225048 0.910509 0.00175086 34.6936 -6.9354 196.784 # jumping subtree containing (T0187)E226 jump= -0.97815 0.0431411 -0.0769691 -0.188246 -25.4673 -24.8725 1.9767 # jumping subtree containing (T0187)E226 jump= -0.983302 0.10972 0.0721164 0.126005 15.4717 -18.8394 15.8959 # jumping subtree containing (T0187)E226 jump= 0.970752 0.0605436 -0.219001 -0.0775425 62.9823 6.02194 50.4625 # jumping subtree containing (T0187)L120 jump= 0.746087 0.0346816 0.624835 -0.227446 -169.916 22.8638 14.9426 # jumping subtree containing (T0187)P91 jump= -0.914445 -0.226132 0.165957 -0.291741 12.4109 48.8887 26.6695 # jumping subtree containing (T0187)N159 jump= 0.184313 0.520982 -0.720789 0.418413 -71.0526 75.9995 268.661 # jumping subtree containing (T0187)E226 jump= -0.55308 -0.247931 -0.531451 -0.591771 -229.725 41.7302 59.1245 # jumping subtree containing (T0187)E226 jump= 0.988864 -0.0295816 0.00983149 0.145521 -10.2195 1.47096 5.40283 # Removing break before 68 # generation 72: best score out of 40: T0187.try1-al10 72.871 cost/residue, 383 clashes 0.0109807 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 124 ## TwoFragment 26 ## CrossOver 561 ## CrossAndInsert 68 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 129 ## OptSubtree 981 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)L120 jump= -0.776528 0.529402 -0.0345486 0.339919 -80.312 -111.772 115.137 # jumping subtree containing (T0187)L120 jump= -0.999723 0.00256913 0.019055 -0.0135843 27.8012 -1.21215 -4.99859 # jumping subtree containing (T0187)R103 jump= 0.339836 -0.546883 -0.670492 -0.368608 -58.3946 -52.6792 157.646 # jumping subtree containing (T0187)E226 jump= -0.677061 -0.088079 0.727674 -0.0657352 71.9401 24.1132 235.498 # Removing break before 68 # Removing break before 68 # jumping subtree containing (T0187)E226 jump= 0.790177 -0.0238992 -0.596827 -0.137285 83.2649 -10.2965 79.7572 # jumping subtree containing (T0187)E226 jump= -0.398932 0.42362 -0.739552 0.338323 -209.095 -60.605 188.496 # Removing break before 68 # jumping subtree containing (T0187)E226 jump= -0.99574 0.00934739 -0.0487028 -0.0777376 6.93097 0.507901 6.85234 # generation 73: best score out of 40: T0187.try1-al10 72.8683 cost/residue, 383 clashes 0.0109803 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 124 ## TwoFragment 26 ## CrossOver 570 ## CrossAndInsert 68 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 129 ## OptSubtree 1007 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= 0.460977 0.410462 0.45558 0.641458 -141.789 40.468 58.3827 # jumping subtree containing (T0187)H239 jump= 0.985281 -0.103513 0.136038 0.000326138 -4.26059 -18.5342 5.00882 # Removing break before 12 # Removing break before 68 # jumping subtree containing (T0187)E226 jump= -0.930384 0.303804 0.181675 0.0953059 10.9951 -54.3145 37.9773 # Removing break before 68 # jumping subtree containing (T0187)N159 jump= 0.509096 0.447102 0.490233 0.548263 -137.536 64.0652 75.7505 # jumping subtree containing (T0187)E226 jump= 0.976751 0.0175498 -0.200089 0.0749283 22.1856 14.0676 18.2694 # jumping subtree containing (T0187)E226 jump= 0.690065 -0.460876 0.53927 0.143497 -78.6827 -69.2606 106.875 # jumping subtree containing (T0187)E226 jump= 0.971804 0.068942 -0.157529 0.161332 32.7651 48.7405 14.5582 # Removing break before 68 # jumping subtree containing (T0187)V228 jump= 0.139436 -0.569423 -0.453825 -0.671087 -209.229 -91.2629 205.532 # generation 74: best score out of 40: T0187.try1-al10 72.8683 cost/residue, 383 clashes 0.0109803 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 124 ## TwoFragment 26 ## CrossOver 579 ## CrossAndInsert 68 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 131 ## OptSubtree 1026 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.240182 -0.801187 0.546883 0.0364785 -28.469 -53.4916 160.753 # jumping subtree containing (T0187)R103 jump= 0.482057 0.52231 0.240303 -0.661111 -45.1851 75.4311 21.9978 # jumping subtree containing (T0187)E226 jump= -0.801349 -0.274649 -0.237691 0.4753 -20.1775 43.5808 28.3882 # Removing break before 68 # jumping subtree containing (T0187)R103 jump= 0.959671 0.189147 -0.0212987 -0.206887 -17.032 42.3208 -11.8622 # jumping subtree containing (T0187)R103 jump= -0.966072 0.0906429 0.113988 -0.213297 36.8365 -3.06856 16.5714 # jumping subtree containing (T0187)R103 jump= -0.998155 -0.0124968 -0.0588869 -0.00787956 12.512 12.6812 -2.57874 # jumping subtree containing (T0187)E226 jump= -0.781577 -0.480959 0.243958 0.313529 49.711 61.809 35.9485 # jumping subtree containing (T0187)E226 jump= 0.0468544 0.713817 -0.281221 0.639675 -87.9679 65.8198 134.481 # jumping subtree containing (T0187)R103 jump= 0.817289 -0.559274 0.0549653 0.127399 -2.91004 -68.6153 43.0634 # Removing break before 68 # Removing break before 12 # jumping subtree containing (T0187)E226 jump= 0.616642 0.0754437 -0.204693 0.756414 -9.79024 51.4141 29.1446 # generation 75: best score out of 40: T0187.try1-al10 72.8678 cost/residue, 383 clashes 0.0109804 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 124 ## TwoFragment 26 ## CrossOver 590 ## CrossAndInsert 68 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 133 ## OptSubtree 1044 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N159 jump= 0.741346 -0.253 0.61941 -0.0522412 -135.106 -37.0439 76.3442 # jumping subtree containing (T0187)N159 jump= -0.997316 0.0329868 -0.0421193 -0.049993 2.00495 17.614 3.99989 # Removing break before 12 # jumping subtree containing (T0187)R103 jump= -0.110881 -0.490279 -0.714997 0.485913 -69.3796 99.2776 101.208 # jumping subtree containing (T0187)I98 jump= -0.377838 0.0720747 -0.0606202 -0.921069 -60.4433 67.7001 -24.2522 # jumping subtree containing (T0187)E226 jump= 0.0453908 -0.164037 -0.521136 -0.836331 -43.7506 -85.7693 52.1284 # jumping subtree containing (T0187)R103 jump= 0.513264 -0.0278979 0.571134 0.63999 -112.474 -32.8141 24.7522 # jumping subtree containing (T0187)N159 jump= -0.586695 -0.171967 -0.576861 0.541709 -116.661 94.2786 44.3642 # jumping subtree containing (T0187)E226 jump= 0.997831 0.0327304 0.0447349 -0.0354966 -32.7463 2.06989 4.9514 # jumping subtree containing (T0187)K163 jump= -0.938192 0.295532 0.042513 0.175071 -15.619 -62.3296 29.244 # generation 76: best score out of 40: T0187.try1-al10 72.8676 cost/residue, 383 clashes 0.0109805 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 124 ## TwoFragment 26 ## CrossOver 604 ## CrossAndInsert 68 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 134 ## OptSubtree 1062 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= -0.810691 -0.0205325 0.503423 -0.298201 58.3355 36.805 101.534 # jumping subtree containing (T0187)E226 jump= 0.867923 0.41019 0.256146 0.113329 -71.1395 95.6081 -19.6085 # jumping subtree containing (T0187)I158 jump= -0.8495 -0.315473 0.149553 0.395552 24.7955 17.2547 11.652 # jumping subtree containing (T0187)I198 jump= 0.190451 0.523711 -0.676153 0.481946 -32.9594 74.0095 175.971 # jumping subtree containing (T0187)R103 jump= -0.128027 0.459879 -0.15595 -0.864754 9.7536 21.844 29.1362 # jumping subtree containing (T0187)E226 jump= -0.39384 0.60148 -0.286448 -0.633292 61.8162 15.6702 38.2082 # jumping subtree containing (T0187)E226 jump= -0.378823 0.628763 0.668504 0.119384 -7.38483 -48.4922 175.944 # jumping subtree containing (T0187)P205 jump= 0.278712 0.350777 -0.854089 0.26421 -48.6409 10.6634 183.554 # generation 77: best score out of 40: T0187.try1-al10 72.8675 cost/residue, 383 clashes 0.0109807 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 124 ## TwoFragment 26 ## CrossOver 613 ## CrossAndInsert 68 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 135 ## OptSubtree 1082 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # Removing break before 68 # jumping subtree containing (T0187)R103 jump= 0.931607 -0.026867 0.0638241 0.356808 -24.7006 32.291 13.8008 # jumping subtree containing (T0187)N159 jump= 0.983417 0.062892 -0.00341789 -0.170068 8.82758 7.05479 5.71138 # jumping subtree containing (T0187)P91 jump= 0.792639 -0.579121 0.0394639 0.18651 -0.811096 -97.291 69.2377 # jumping subtree containing (T0187)V197 jump= -0.737812 -0.484984 0.377671 -0.278906 1.38566 106.488 85.9494 # jumping subtree containing (T0187)N159 jump= -0.350131 -0.87451 -0.126884 0.31071 9.79006 125.597 106.121 # jumping subtree containing (T0187)E226 jump= -0.952834 -0.106732 -0.205478 -0.196201 -50.4009 -2.26362 -7.11619 # jumping subtree containing (T0187)R103 jump= -0.956612 0.091844 -0.266806 0.0726122 -27.6653 -18.7024 -10.7735 # jumping subtree containing (T0187)P132 jump= -0.213415 0.712905 0.247314 0.62053 -146.438 -41.6498 175.556 # generation 78: best score out of 40: T0187.try1-al10 72.6559 cost/residue, 378 clashes 0.00806819 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 124 ## TwoFragment 26 ## CrossOver 619 ## CrossAndInsert 68 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 135 ## OptSubtree 1106 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R176 jump= 0.582618 -0.619673 -0.492842 -0.183489 0.0932531 -68.6158 174.62 # jumping subtree containing (T0187)N159 jump= 0.10566 -0.559834 -0.737478 0.362696 -17.7418 110.738 152.008 # jumping subtree containing (T0187)E226 jump= 0.733933 -0.62756 0.0940459 -0.242211 -49.0381 -48.3373 139.449 # jumping subtree containing (T0187)P91 jump= 0.0247706 -0.461654 -0.877311 0.128794 -83.8702 51.3573 191.481 # Removing break before 68 # jumping subtree containing (T0187)L120 jump= 0.878406 -0.324006 -0.0655622 -0.345146 -30.9689 -92.3768 72.6549 # jumping subtree containing (T0187)E226 jump= -0.235624 0.468451 0.809048 0.265474 -74.5846 -1.62047 191.877 # jumping subtree containing (T0187)E226 jump= 0.129772 -0.249314 -0.767792 -0.575757 -67.9515 -81.3941 114.82 # Removing break before 46 # generation 79: best score out of 40: T0187.try1-al10 72.6557 cost/residue, 378 clashes 0.00806831 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 125 ## TwoFragment 26 ## CrossOver 630 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 135 ## OptSubtree 1123 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= -0.366506 -0.463612 -0.250891 -0.766675 -143.21 89.1397 54.7521 # jumping subtree containing (T0187)R103 jump= -0.914301 -0.395161 0.0342439 0.0820259 -1.05599 101.417 8.50211 # jumping subtree containing (T0187)V197 jump= -0.955519 0.256686 -0.127634 0.0693214 -40.7937 -28.6161 11.024 # jumping subtree containing (T0187)R103 jump= 0.485421 -0.830703 -0.214611 0.168049 15.5806 -22.2795 164.231 # jumping subtree containing (T0187)E226 jump= 0.350529 -0.37813 -0.301787 -0.801917 -50.1262 -62.1668 49.7482 # jumping subtree containing (T0187)V197 jump= -0.875747 -0.141859 -0.134471 0.44143 -45.064 11.6937 -0.0294919 # jumping subtree containing (T0187)R103 jump= -0.810652 0.577278 0.0979397 0.00111848 13.7482 -78.5303 124.293 # jumping subtree containing (T0187)I98 jump= -0.587448 0.788014 -0.102837 0.152849 -37.4135 -97.7184 129.605 # jumping subtree containing (T0187)R103 jump= -0.106265 0.722499 -0.257144 0.632913 -107.699 17.3729 165.044 # Removing break before 46 # jumping subtree containing (T0187)E226 jump= 0.822367 0.297768 -0.114215 0.471171 7.70238 139.345 40.0273 # jumping subtree containing (T0187)E226 jump= 0.986413 -0.0390392 -0.0621028 -0.146997 -13.1108 -41.7784 2.06231 # generation 80: best score out of 40: T0187.try1-al10 72.6557 cost/residue, 378 clashes 0.00806831 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 125 ## TwoFragment 26 ## CrossOver 636 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 139 ## OptSubtree 1147 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= 0.099002 -0.027752 -0.328343 0.938946 -79.0467 134.433 59.2982 # jumping subtree containing (T0187)S137 jump= -0.882695 -0.379426 -0.221371 0.166973 -83.2211 111.146 15.3993 # jumping subtree containing (T0187)R103 jump= 0.911839 -0.113327 0.382769 0.0958864 -75.1647 -1.70209 6.74985 # Removing break before 46 # jumping subtree containing (T0187)E226 jump= -0.976725 -0.183425 -0.0245139 -0.108458 -1.59417 73.6797 -1.17301 # Removing break before 46 # jumping subtree containing (T0187)S137 jump= -0.0725913 0.274748 0.884546 -0.369894 -24.9175 110.014 171.731 # jumping subtree containing (T0187)R103 jump= -0.898995 0.293688 -0.03418 -0.32309 20.7555 -66.738 9.09957 # jumping subtree containing (T0187)R103 jump= 0.886172 -0.184976 0.423578 0.0326371 -101.388 -19.5386 8.47758 # jumping subtree containing (T0187)D115 jump= 0.971232 0.167882 -0.127421 -0.110852 43.379 24.2056 13.5003 # jumping subtree containing (T0187)E226 jump= -0.970243 -0.0802065 -0.0340682 0.225909 -9.91334 -5.7944 12.7484 # jumping subtree containing (T0187)S137 jump= -0.995299 0.0253501 -0.0840325 -0.0409298 -4.09483 -0.145022 -6.48516 # jumping subtree containing (T0187)R103 jump= 0.907051 0.321861 -0.196456 0.187267 28.8049 71.1982 31.7257 # jumping subtree containing (T0187)E226 jump= -0.978408 0.0742318 0.123417 -0.148245 35.9642 -16.878 7.65351 # jumping subtree containing (T0187)E226 jump= -0.192712 0.829886 0.384035 0.355906 -100.005 -5.0272 212.708 # Removing break before 46 # jumping subtree containing (T0187)E226 jump= -0.1432 0.668382 0.0756852 0.725969 -165.276 82.5654 125.28 # generation 81: best score out of 40: T0187.try1-al10 72.6528 cost/residue, 378 clashes 0.00806831 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 125 ## TwoFragment 26 ## CrossOver 646 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 140 ## OptSubtree 1167 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= 0.944222 0.00253885 0.0946678 0.315397 -32.201 24.3692 1.25483 # jumping subtree containing (T0187)P91 jump= 0.398643 0.828568 0.12663 0.372188 -86.4132 143.929 106.941 # Removing break before 46 # jumping subtree containing (T0187)F173 jump= 0.944351 0.165799 -0.271912 0.0823166 69.2403 37.2967 13.6968 # jumping subtree containing (T0187)E226 jump= 0.978692 -0.000473154 -0.159056 0.129858 34.898 35.3885 0.981298 # jumping subtree containing (T0187)R103 jump= 0.0268906 -0.281628 -0.955539 -0.0831153 -110.1 7.0957 204.076 # jumping subtree containing (T0187)R103 jump= -0.332603 0.380183 -0.55061 0.664579 -151.232 26.9465 119.202 # jumping subtree containing (T0187)R103 jump= 0.0836227 0.729736 0.164666 -0.658314 38.7449 81.8669 47.9693 # jumping subtree containing (T0187)S225 jump= -0.602219 0.519307 0.0440945 0.604738 -56.6515 -62.3794 46.8198 # jumping subtree containing (T0187)R103 jump= 0.228538 0.367306 -0.379171 0.817977 -94.8763 134.236 115.685 # jumping subtree containing (T0187)E226 jump= 0.156289 0.048708 0.954126 -0.250691 -87.0842 55.1402 182.806 # jumping subtree containing (T0187)F173 jump= -0.260368 -0.0648734 0.772993 -0.574876 -4.95179 144.346 152.776 # generation 82: best score out of 40: T0187.try1-al10 72.6528 cost/residue, 378 clashes 0.00806831 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 125 ## TwoFragment 26 ## CrossOver 658 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 142 ## OptSubtree 1185 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.578279 -0.162865 -0.144198 0.786305 23.4959 62.3207 19.4281 # jumping subtree containing (T0187)E226 jump= 0.0865346 0.758613 -0.269062 0.587047 -97.6995 70.7133 135.659 # jumping subtree containing (T0187)E226 jump= -0.945725 -0.124275 -0.121145 0.274743 -11.8246 26.2144 16.3959 # jumping subtree containing (T0187)R103 jump= 0.924475 0.0834364 0.350681 0.124128 -78.5195 42.4411 -16.5111 # jumping subtree containing (T0187)E226 jump= 0.58897 -0.704728 -0.00551391 -0.395528 -63.4969 -84.8179 125.354 # jumping subtree containing (T0187)R103 jump= 0.880568 0.430403 -0.185429 0.0704998 23.8709 74.1414 43.5896 # jumping subtree containing (T0187)E226 jump= 0.914548 -0.334515 -0.0596129 -0.219426 5.10343 -48.5065 30.8276 # Removing break before 46 # jumping subtree containing (T0187)E226 jump= 0.954323 -0.190626 0.217766 0.0742128 -39.1699 -39.1049 0.0192547 # jumping subtree containing (T0187)E226 jump= -0.601009 0.296723 0.739426 0.0631879 33.2984 -53.9566 201.884 # generation 83: best score out of 40: T0187.try1-al10 72.6526 cost/residue, 378 clashes 0.0080684 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 125 ## TwoFragment 26 ## CrossOver 670 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 142 ## OptSubtree 1205 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S137 jump= -0.94386 -7.39754e-05 -0.0250195 0.329397 -35.6516 -32.0088 20.0542 # jumping subtree containing (T0187)S137 jump= 0.0177896 -0.00133508 0.277392 -0.960591 -119.74 72.7518 44.3605 # jumping subtree containing (T0187)E226 jump= -0.227131 0.493132 -0.66799 -0.508942 -3.48712 -83.266 123.743 # jumping subtree containing (T0187)E226 jump= -0.356565 0.851642 0.374938 -0.0835939 5.95409 -37.2547 163.726 # jumping subtree containing (T0187)V228 jump= 0.281519 0.351035 -0.344851 0.823771 -60.2604 68.8124 69.4735 # jumping subtree containing (T0187)P237 jump= -0.991162 -0.0187238 0.130199 -0.0172041 9.63683 -5.68976 -4.82404 # jumping subtree containing (T0187)P91 jump= -0.21239 -0.286331 -0.650861 -0.670287 -121.133 -46.631 83.738 # Removing break before 46 # jumping subtree containing (T0187)R103 jump= -0.778684 -0.0696476 -0.48169 -0.395947 -78.3939 -4.02055 15.2987 # Removing break before 46 # jumping subtree containing (T0187)E226 jump= -0.982726 -0.0185155 -0.117525 0.141753 -32.1 -7.88053 15.4552 # generation 84: best score out of 40: T0187.try1-al10 72.6525 cost/residue, 378 clashes 0.00806845 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 125 ## TwoFragment 26 ## CrossOver 681 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 143 ## OptSubtree 1221 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= 0.999952 -0.00276665 -0.000654328 -0.0093293 8.25234 -23.2953 -10.8099 # jumping subtree containing (T0187)F129 jump= 0.0473818 -0.0165275 0.417774 -0.907164 -111.81 121.618 46.364 # jumping subtree containing (T0187)E226 jump= 0.669358 -0.659678 0.230231 -0.252545 -85.3701 -62.4471 147.835 # Removing break before 46 # jumping subtree containing (T0187)E226 jump= 0.325153 -0.827776 -0.452209 -0.0675981 -33.9341 -17.8399 251.24 # jumping subtree containing (T0187)G124 jump= 0.998694 -0.042764 -0.0279341 0.00111968 3.27256 -1.32847 28.6468 # generation 85: best score out of 40: T0187.try1-al10 72.6525 cost/residue, 378 clashes 0.00806845 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 125 ## TwoFragment 26 ## CrossOver 691 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 143 ## OptSubtree 1240 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= 0.950726 0.146272 -0.255844 0.0962737 79.5653 56.7613 20.7447 # jumping subtree containing (T0187)S188 jump= 0.811825 -0.030304 -0.168089 0.558362 29.0307 62.0795 33.8844 # jumping subtree containing (T0187)G124 jump= 0.781688 -0.528656 -0.0766086 0.321899 66.1368 -91.1125 101.991 # jumping subtree containing (T0187)E226 jump= -0.850611 -0.219949 0.45893 -0.132165 87.6349 76.5899 70.3884 # jumping subtree containing (T0187)R103 jump= 0.0507912 0.656756 -0.316407 0.682626 -124.99 94.6505 150.169 # jumping subtree containing (T0187)A180 jump= 0.905363 -0.321992 0.0635395 -0.269447 -76.0937 -69.5979 63.2671 # jumping subtree containing (T0187)E226 jump= -0.677144 -0.700424 -0.186103 -0.127466 -44.5181 82.8521 109.187 # jumping subtree containing (T0187)G124 jump= 0.250945 0.398392 0.865079 0.173059 -197.042 10.3365 255.398 # jumping subtree containing (T0187)E226 jump= 0.929419 -0.0991485 -0.0137712 -0.35519 -32.3822 -59.0828 19.6781 # jumping subtree containing (T0187)E226 jump= 0.795245 0.4078 -0.438606 -0.0943962 56.4063 43.4437 59.0213 # jumping subtree containing (T0187)G124 jump= 0.619645 0.151096 0.682063 0.357772 -219.495 -8.10517 112.654 # jumping subtree containing (T0187)G124 jump= -0.577197 0.0278 -0.0406625 -0.815118 -34.4454 53.3335 -24.4621 # generation 86: best score out of 40: T0187.try1-al10 72.6524 cost/residue, 378 clashes 0.00806843 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 125 ## TwoFragment 26 ## CrossOver 699 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 145 ## OptSubtree 1258 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.996714 0.0674395 -0.0430161 0.0127578 20.1958 37.1665 4.84733 # jumping subtree containing (T0187)G124 jump= -0.418221 -0.407832 -0.55204 0.594993 -84.1634 191.452 88.309 # Removing break before 12 # jumping subtree containing (T0187)N114 jump= -0.0499294 -0.869389 0.0602099 0.487898 114.379 17.3299 239.504 # jumping subtree containing (T0187)S137 jump= -0.908242 0.196986 0.0263843 0.368234 -35.4699 -94.9161 13.1126 # jumping subtree containing (T0187)E226 jump= 0.259204 0.470275 -0.0355202 -0.842848 48.4544 77.7166 4.89724 # jumping subtree containing (T0187)E226 jump= -0.788106 -0.592204 0.0963997 -0.13744 26.2342 138.927 70.1728 # jumping subtree containing (T0187)E226 jump= -0.925405 -0.112293 -0.104801 -0.346457 -43.7172 59.1057 -15.6773 # Removing break before 46 # jumping subtree containing (T0187)A180 jump= -0.713967 -0.231765 -0.642501 0.154043 -172.62 80.144 130.174 # Removing break before 12 # jumping subtree containing (T0187)S200 jump= -0.950954 -0.178488 -0.247307 0.051653 -90.3084 64.3526 -0.373371 # jumping subtree containing (T0187)V197 jump= -0.9482 0.0964903 0.217293 0.210688 33.0198 -41.8302 39.2885 # generation 87: best score out of 40: T0187.try1-al10 72.6523 cost/residue, 378 clashes 0.00806843 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 125 ## TwoFragment 26 ## CrossOver 707 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 145 ## OptSubtree 1274 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.28904 0.680049 0.170823 -0.651773 18.0565 128.14 73.3791 # jumping subtree containing (T0187)G124 jump= -0.375696 -0.675413 -0.369467 0.515911 -2.85851 184.935 131.175 # jumping subtree containing (T0187)S200 jump= -0.401224 0.413125 -0.457054 -0.677827 -16.9274 -102.943 68.8768 # jumping subtree containing (T0187)G124 jump= 0.711661 0.673068 -0.2004 0.0188989 62.9805 153.69 145.128 # jumping subtree containing (T0187)S200 jump= -0.781505 0.0567553 0.26501 -0.561959 59.8837 74.9937 58.7571 # jumping subtree containing (T0187)S200 jump= -0.330155 0.0537099 -0.862835 -0.378984 -133.355 -104.161 188.77 # jumping subtree containing (T0187)G124 jump= 0.140452 0.843018 -0.443988 0.269201 -44.6394 68.6853 296.413 # jumping subtree containing (T0187)N114 jump= 0.870651 -0.383886 -0.0339201 -0.305692 -59.2164 -144.771 65.201 # Removing break before 46 # jumping subtree containing (T0187)E226 jump= 0.721284 0.166688 0.672213 -0.00970736 -159.673 59.4924 97.4683 # jumping subtree containing (T0187)N114 jump= -0.15075 -0.91064 -0.275788 0.268234 17.8525 141.908 253.425 # jumping subtree containing (T0187)S137 jump= 0.671593 -0.299679 0.675703 0.0507973 -156.017 -80.2514 146.959 # generation 88: best score out of 40: T0187.try1-al10 72.6522 cost/residue, 378 clashes 0.00806851 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 125 ## TwoFragment 26 ## CrossOver 710 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 146 ## OptSubtree 1301 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.990861 -0.117902 -0.0552372 0.0352381 -19.4871 53.0435 4.99464 # jumping subtree containing (T0187)E226 jump= -0.910462 0.172793 -0.093016 -0.364073 1.75953 -25.4019 27.1448 # jumping subtree containing (T0187)P91 jump= 0.939807 0.236268 -0.0999863 0.225704 6.15754 88.0223 6.05603 # jumping subtree containing (T0187)G124 jump= 0.843462 -0.427259 -0.286862 0.15405 98.8361 -49.7999 127.815 # jumping subtree containing (T0187)E226 jump= 0.327115 0.384311 0.712334 0.487732 -178.873 -10.3294 130.586 # jumping subtree containing (T0187)P91 jump= -0.663677 0.033908 0.0752654 0.74345 -21.8929 -10.8025 25.814 # jumping subtree containing (T0187)S137 jump= 0.424649 -0.605117 0.0973219 0.666359 120.078 -27.0704 76.1785 # jumping subtree containing (T0187)E226 jump= 0.729268 0.289562 -0.60544 -0.133285 72.6104 3.95026 107.656 # jumping subtree containing (T0187)N114 jump= 0.22446 -0.265544 0.806828 -0.477632 -148.931 84.2034 261.022 # jumping subtree containing (T0187)S200 jump= -0.985059 -0.154646 0.0593944 0.047077 30.9776 38.6264 -3.11963 # jumping subtree containing (T0187)S200 jump= -0.134053 -0.554084 0.24654 0.783734 100.911 2.18762 58.4187 # jumping subtree containing (T0187)N114 jump= -0.962338 0.153482 0.00100078 -0.224382 16.3891 -25.6792 1.41195 # jumping subtree containing (T0187)E226 jump= 0.570515 -0.0129411 0.609185 0.550672 -97.6772 -53.6548 47.4855 # jumping subtree containing (T0187)S137 jump= 0.999922 0.0108751 -0.000795964 -0.00601279 0.539338 23.0633 17.5429 # jumping subtree containing (T0187)S137 jump= 0.988731 0.0202992 -0.0740832 -0.12849 12.1499 -3.37102 13.9715 # generation 89: best score out of 40: T0187.try1-al10 72.6522 cost/residue, 378 clashes 0.00806851 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 125 ## TwoFragment 26 ## CrossOver 720 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 146 ## OptSubtree 1323 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 46 # jumping subtree containing (T0187)V197 jump= 0.931441 -0.337236 -0.0241665 -0.134558 -38.6599 -98.1613 67.9465 # jumping subtree containing (T0187)E226 jump= 0.999389 0.013863 0.0115594 -0.0299227 4.26368 17.7207 18.6463 # jumping subtree containing (T0187)E226 jump= 0.914776 -0.109262 -0.386976 0.0386735 98.1445 -10.8091 37.2505 # jumping subtree containing (T0187)V197 jump= -0.775699 0.422532 -0.400285 0.243988 -160.131 -82.649 121.753 # jumping subtree containing (T0187)S200 jump= 0.799732 -0.586295 0.00112227 0.129174 8.43355 -129.993 98.4641 # jumping subtree containing (T0187)A180 jump= 0.676601 0.0985849 -0.721301 0.110527 115.646 36.4717 199.125 # jumping subtree containing (T0187)E226 jump= -0.0178197 0.729578 -0.591861 -0.342196 68.3116 -23.938 234.662 # jumping subtree containing (T0187)S200 jump= -0.0704538 -0.953694 0.217897 0.195001 50.9039 36.211 258.843 # jumping subtree containing (T0187)E226 jump= 0.0846332 0.604184 0.0324971 0.791671 -144.957 54.8559 117.887 # jumping subtree containing (T0187)E226 jump= 0.95324 0.0837202 0.277426 0.0857817 -87.7957 -0.078207 -7.44071 # jumping subtree containing (T0187)S137 jump= -0.557676 -0.0503751 -0.519381 0.645525 -139.046 131.409 67.4034 # jumping subtree containing (T0187)R103 jump= 0.250891 0.384223 0.877653 -0.138389 -94.9219 83.1731 250.803 # generation 90: best score out of 40: T0187.try1-al10 72.65 cost/residue, 381 clashes 0.0080683 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 126 ## TwoFragment 26 ## CrossOver 720 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 146 ## OptSubtree 1353 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= 0.798017 -0.535197 -0.0830228 0.264273 62.4562 -76.5857 96.2648 # jumping subtree containing (T0187)E226 jump= 0.928 0.161683 0.160085 -0.295037 -25.9476 67.5942 1.51279 # jumping subtree containing (T0187)E226 jump= -0.463557 -0.0416369 -0.712424 -0.525198 -98.2456 -52.3403 119.733 # generation 91: best score out of 40: T0187.try1-al10 72.65 cost/residue, 381 clashes 0.0080683 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 126 ## TwoFragment 26 ## CrossOver 723 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 147 ## OptSubtree 1376 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= 0.0564596 0.375172 0.748983 0.543215 -147.934 -87.2076 223.397 # jumping subtree containing (T0187)R103 jump= 0.94435 0.279696 -0.0468645 -0.166666 -8.3982 62.0151 11.3315 # jumping subtree containing (T0187)S137 jump= 0.0486235 0.613392 0.655705 -0.437536 28.5355 152.708 289.082 # Removing break before 12 # jumping subtree containing (T0187)E226 jump= 0.548513 -0.146804 0.134338 0.812117 21.7535 -20.4082 10.0284 # jumping subtree containing (T0187)R103 jump= -0.12878 0.0655253 0.989318 -0.0192915 -37.4223 17.6594 270.576 # Removing break before 46 # generation 92: best score out of 40: T0187.try1-al10 72.6499 cost/residue, 381 clashes 0.00806826 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 126 ## TwoFragment 26 ## CrossOver 733 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 150 ## OptSubtree 1397 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.523168 0.435575 0.732339 0.0157818 52.9824 -54.0402 238.349 # jumping subtree containing (T0187)V197 jump= 0.97093 -0.235886 0.0405042 0.00346639 -13.6361 -46.5354 5.03775 # jumping subtree containing (T0187)A180 jump= 0.899603 -0.213798 -0.158075 0.346436 89.5713 -16.5624 58.1212 # jumping subtree containing (T0187)R103 jump= 0.211744 -0.167888 0.561207 0.78232 -28.7916 -115.717 83.1541 # jumping subtree containing (T0187)S137 jump= 0.961222 0.194195 0.180558 0.0757602 -73.4359 64.0651 -14.1366 # jumping subtree containing (T0187)E226 jump= -0.980018 0.0844551 0.0640843 -0.168299 27.2022 -10.4897 15.778 # jumping subtree containing (T0187)G124 jump= -0.522209 0.115092 -0.842084 -0.0703277 -203.769 -50.2706 175.29 # jumping subtree containing (T0187)S137 jump= -0.998303 0.0280137 0.00878071 -0.0502912 18.2248 18.7943 10.7688 # generation 93: best score out of 40: T0187.try1-al10 72.327 cost/residue, 385 clashes 0.00806858 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 738 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 150 ## OptSubtree 1415 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V228 jump= 0.460296 -0.500121 0.571017 0.460376 8.34695 -127.001 136.445 # jumping subtree containing (T0187)E226 jump= 0.0271309 -0.0164137 0.602637 -0.797385 -55.1523 160.362 129.962 # jumping subtree containing (T0187)G124 jump= 0.141661 -0.0298445 -0.177927 0.973336 -51.9537 118.842 3.04797 # jumping subtree containing (T0187)E226 jump= -0.265309 -0.722705 0.16609 0.616217 128.253 60.3539 105.763 # jumping subtree containing (T0187)A180 jump= 0.619521 0.742994 0.11222 0.22707 -103.723 187.503 147.307 # Removing break before 46 # jumping subtree containing (T0187)E226 jump= 0.345349 -0.151714 0.92508 -0.0440966 -114.233 -0.551901 210.343 # jumping subtree containing (T0187)E226 jump= 0.610843 -0.512467 -0.0301384 0.602777 116.497 -42.2078 78.0896 # jumping subtree containing (T0187)E226 jump= -0.0912101 0.229839 -0.886226 0.391737 -67.9244 116.562 246.115 # Removing break before 46 # generation 94: best score out of 40: T0187.try1-al10 72.3266 cost/residue, 385 clashes 0.00806837 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 742 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 152 ## OptSubtree 1440 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G124 jump= 0.989798 -0.111896 -0.0852257 -0.0227103 23.9882 -17.5375 7.01901 # Removing break before 12 # jumping subtree containing (T0187)G124 jump= -0.723868 -0.665226 -0.0783967 0.165359 9.05954 154.965 124.119 # jumping subtree containing (T0187)A180 jump= -0.995845 -0.0484662 -0.0706266 -0.0309166 -38.6943 2.12866 -13.3845 # jumping subtree containing (T0187)P91 jump= 0.114279 0.988341 0.0958857 -0.0304692 -24.2881 90.5371 276.635 # jumping subtree containing (T0187)R103 jump= 0.523446 0.575417 0.339216 -0.528992 -0.081193 175.064 94.4407 # jumping subtree containing (T0187)V197 jump= -0.968674 0.0814928 0.227365 -0.0577457 54.6207 -28.4012 13.7791 # jumping subtree containing (T0187)E226 jump= -0.256433 0.203003 0.944624 0.026769 -91.4196 -11.2373 241.987 # jumping subtree containing (T0187)S137 jump= 0.954892 -0.257776 -0.0178996 0.146331 34.3004 -89.5825 32.0483 # jumping subtree containing (T0187)G201 jump= -0.975146 -0.0471716 0.199607 -0.0837952 49.0618 11.4939 32.9392 # jumping subtree containing (T0187)G124 jump= -0.652707 0.624246 -0.240387 0.355674 -94.9784 -42.9823 176.617 # jumping subtree containing (T0187)G124 jump= 0.843446 0.037997 -0.0868554 0.528783 16.633 85.9902 -10.9085 # jumping subtree containing (T0187)E218 jump= 0.999882 -0.0110425 0.00073171 0.0106455 -3.75688 -16.1301 -5.20766 # jumping subtree containing (T0187)E226 jump= 0.00873494 0.864635 -0.480578 0.146204 -39.9741 47.4784 270.745 # generation 95: best score out of 40: T0187.try1-al10 72.3265 cost/residue, 385 clashes 0.00806837 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 744 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 154 ## OptSubtree 1467 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.411636 -0.191717 0.0611937 0.888851 16.377 41.5547 27.1372 # jumping subtree containing (T0187)G124 jump= 0.912309 0.289274 0.204396 0.205514 -67.6766 100.861 19.273 # jumping subtree containing (T0187)S137 jump= 0.338215 -0.819056 0.179048 -0.427433 -146.133 -57.5724 278.948 # jumping subtree containing (T0187)E226 jump= 0.99293 0.0605652 0.0906101 -0.0470325 -30.2846 41.6606 -1.57992 # jumping subtree containing (T0187)E226 jump= 0.649129 0.476491 0.470577 0.360756 -132.963 70.909 104.683 # jumping subtree containing (T0187)G124 jump= -0.233311 0.76924 0.521855 0.285488 -101.836 -43.8726 293.632 # jumping subtree containing (T0187)S137 jump= -0.133695 0.683907 0.676294 0.238797 -61.1175 -35.4664 290.299 # jumping subtree containing (T0187)G124 jump= -0.816062 0.132252 0.54221 0.1502 90.4403 -64.4044 119.87 # jumping subtree containing (T0187)E130 jump= -0.97201 -0.115381 -0.147851 0.141503 -47.7842 42.0999 15.1469 # generation 96: best score out of 40: T0187.try1-al10 72.3264 cost/residue, 385 clashes 0.00806867 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 753 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 155 ## OptSubtree 1484 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 46 # jumping subtree containing (T0187)E226 jump= 0.0536235 -0.342455 -0.259428 0.901414 82.7421 116.172 70.2599 # Removing break before 46 # jumping subtree containing (T0187)S200 jump= -0.99995 0.0048943 -0.00427385 0.00759667 -2.92608 -21.8753 -20.3191 # jumping subtree containing (T0187)F129 jump= 0.844414 -0.375146 0.104688 -0.367791 -78.6423 -122.437 72.1205 # jumping subtree containing (T0187)S200 jump= 0.975977 -0.0135529 0.077113 -0.203319 -3.60038 -0.441345 0.870155 # jumping subtree containing (T0187)E226 jump= -0.68242 -0.322911 0.222399 -0.616904 -1.79996 105.981 38.8769 # jumping subtree containing (T0187)G124 jump= 0.24177 0.316818 0.210679 0.89263 -179.439 37.9859 44.6297 # jumping subtree containing (T0187)R162 jump= 0.999905 0.0083932 0.0106272 0.00272632 -5.34871 19.7642 -11.9838 # jumping subtree containing (T0187)E226 jump= -0.0552088 -0.746979 -0.499762 0.434985 54.5285 112.869 223.268 # jumping subtree containing (T0187)G124 jump= 0.87187 0.101386 0.466334 -0.109982 -124.666 52.6484 19.3105 # jumping subtree containing (T0187)G124 jump= 0.258449 -0.750193 -0.351449 0.496889 106.298 60.7784 193.21 # Removing break before 12 # jumping subtree containing (T0187)A180 jump= 0.993746 -0.0403091 0.103958 -0.00606158 -55.7284 -12.9207 -12.2362 # jumping subtree containing (T0187)G124 jump= -0.932771 0.0912957 0.136269 0.32099 5.95092 -75.3546 1.95006 # generation 97: best score out of 40: T0187.try1-al10 72.3264 cost/residue, 385 clashes 0.00806867 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 761 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 155 ## OptSubtree 1507 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S200 jump= -0.206681 -0.195348 -0.952688 -0.107279 -95.2464 -2.23923 248.455 # jumping subtree containing (T0187)G124 jump= 0.991404 0.0181338 -0.0144067 -0.128769 -13.4795 16.1633 3.5005 # jumping subtree containing (T0187)E226 jump= 0.991619 -0.0834647 0.00664618 -0.098395 -20.4487 -29.0249 28.1589 # jumping subtree containing (T0187)A180 jump= 0.531088 -0.472401 -0.167418 -0.683194 -107.353 -90.1564 112.368 # jumping subtree containing (T0187)G124 jump= 0.946543 0.0507612 -0.186892 0.257974 60.8588 42.0012 37.7412 # jumping subtree containing (T0187)E226 jump= 0.428706 0.711767 -0.541359 0.128564 73.1084 115.997 212.304 # jumping subtree containing (T0187)E226 jump= 0.995126 -0.0538098 0.0264241 0.0782988 2.32021 -34.4978 9.52676 # jumping subtree containing (T0187)G124 jump= 0.0520039 -0.581325 0.544237 0.60263 40.4322 -111.817 162.04 # generation 98: best score out of 40: T0187.try1-al10 72.3263 cost/residue, 385 clashes 0.00806857 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 772 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 155 ## OptSubtree 1526 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 12 # Removing break before 12 # jumping subtree containing (T0187)V228 jump= -0.612159 -0.2959 -0.578926 0.450055 -76.4965 109.785 125.305 # Removing break before 46 # jumping subtree containing (T0187)G124 jump= -0.167257 0.163476 -0.824828 0.514743 -147.774 80.5486 227.455 # jumping subtree containing (T0187)S137 jump= 0.784081 0.400236 -0.467134 0.0825432 82.9663 97.4039 100.848 # jumping subtree containing (T0187)S200 jump= -0.272931 0.559385 0.71071 -0.327854 50.9945 58.316 247.704 # Removing break before 46 # jumping subtree containing (T0187)E226 jump= 0.742908 -0.287942 0.602943 0.0404691 -143.663 -70.0722 126.341 # jumping subtree containing (T0187)S200 jump= -0.432745 -0.563275 -0.2806 0.645535 43.9449 125.317 80.135 # jumping subtree containing (T0187)V197 jump= 0.976131 -0.0576549 -0.0318234 -0.206959 -21.5141 -4.03353 24.668 # jumping subtree containing (T0187)G124 jump= -0.783394 -0.0382703 -0.524429 -0.331365 -155.378 -21.8192 14.1068 # jumping subtree containing (T0187)S137 jump= 0.952216 0.170238 0.200773 0.154902 -73.8232 70.9109 -6.82521 # Removing break before 46 # generation 99: best score out of 40: T0187.try1-al10 72.3263 cost/residue, 385 clashes 0.00806867 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 778 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 155 ## OptSubtree 1551 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G124 jump= 0.39782 0.762653 -0.247179 0.446096 -86.8976 119.588 232.564 # jumping subtree containing (T0187)A180 jump= -0.865296 0.275115 -0.290603 -0.301869 -28.9942 -41.7073 14.0504 # jumping subtree containing (T0187)E226 jump= -0.910598 0.227368 0.34498 0.0101847 65.6101 -71.1023 37.096 # jumping subtree containing (T0187)E226 jump= -0.346684 0.34147 0.670547 -0.559978 67.6779 106.785 207.825 # jumping subtree containing (T0187)T209 jump= -0.882232 0.16526 0.199237 -0.393268 62.4342 -2.41053 16.1656 # jumping subtree containing (T0187)E226 jump= 0.609509 -0.0170457 -0.624434 -0.488149 85.7282 -97.9088 127.975 # Removing break before 46 # jumping subtree containing (T0187)E226 jump= -0.648356 0.121709 0.735263 0.155597 118.621 -63.1817 158.871 # generation 100: best score out of 40: T0187.try1-al10 72.3263 cost/residue, 385 clashes 0.00806867 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 785 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 155 ## OptSubtree 1573 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L120 jump= -0.483957 0.80929 0.306679 0.129548 -1.40996 -109.493 267.804 # jumping subtree containing (T0187)G124 jump= 0.270526 -0.170983 0.639022 0.699451 -65.5842 -119.241 85.2297 # jumping subtree containing (T0187)A180 jump= 0.10808 0.806622 -0.541887 -0.209852 30.696 -29.2372 197.419 # jumping subtree containing (T0187)G124 jump= 0.355502 0.172551 0.836541 -0.37953 -155.714 113.883 214.944 # Removing break before 46 # jumping subtree containing (T0187)E226 jump= -0.455006 0.665059 0.592169 -0.00137519 16.8751 -20.1201 259.173 # jumping subtree containing (T0187)E226 jump= 0.997047 -0.0385803 -0.0636423 0.0189487 38.3646 -7.71047 11.7923 # jumping subtree containing (T0187)E226 jump= -0.669311 -0.406673 -0.368854 0.500586 -76.1862 121.704 57.6161 # jumping subtree containing (T0187)S200 jump= 0.990846 -0.0708948 0.0228075 -0.112596 -27.2242 -5.74396 -16.3142 # jumping subtree containing (T0187)V136 jump= -0.086715 -0.33207 -0.835821 -0.428502 -127.294 -102.199 262.608 # jumping subtree containing (T0187)G124 jump= 0.795407 -0.231334 -0.00965881 0.560106 22.7253 -3.26223 23.8321 # generation 101: best score out of 40: T0187.try1-al10 72.3261 cost/residue, 385 clashes 0.00806865 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 794 ## CrossAndInsert 68 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 155 ## OptSubtree 1594 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V228 jump= 0.837626 0.287523 0.424142 -0.189254 -83.796 66.8649 48.9804 # jumping subtree containing (T0187)V197 jump= -0.244074 0.904259 -0.0668337 0.343914 -99.2574 -0.0871086 215.409 # jumping subtree containing (T0187)P202 jump= -0.858853 -0.102958 0.456649 -0.207949 119.757 59.0841 91.733 # jumping subtree containing (T0187)G124 jump= -0.852122 0.0991411 0.442207 0.261749 90.9145 -69.3221 110.689 # jumping subtree containing (T0187)S137 jump= 0.264498 -0.0468083 -0.726863 0.632076 21.7692 158.487 193.113 # jumping subtree containing (T0187)E226 jump= -0.120218 0.828382 0.267489 0.477264 -132.626 -53.3944 211.176 # Removing break before 46 # jumping subtree containing (T0187)E226 jump= -0.20697 0.371222 -0.76438 -0.484851 -6.03348 -101.539 197.92 # jumping subtree containing (T0187)G124 jump= -0.198054 0.830948 0.14822 0.498327 -157.577 -44.3796 265.485 # jumping subtree containing (T0187)E226 jump= 0.876896 0.118288 -0.202002 0.419829 26.2167 69.017 35.8014 # jumping subtree containing (T0187)E226 jump= -0.554974 -0.0510251 -0.283113 -0.780543 -41.6385 -19.7439 19.8089 # generation 102: best score out of 40: T0187.try1-al10 72.309 cost/residue, 384 clashes 0.0157712 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 804 ## CrossAndInsert 68 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 155 ## OptSubtree 1613 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= 0.195658 0.53952 0.0487949 0.817469 -143.272 47.7782 73.8807 # jumping subtree containing (T0187)E226 jump= 0.973043 0.0310194 0.174107 0.148024 -38.0936 -13.2303 -18.1215 # jumping subtree containing (T0187)H164 jump= -0.4584 0.341303 -0.74603 -0.341792 -52.4078 -107.147 137.66 # jumping subtree containing (T0187)P205 jump= 0.680015 0.125486 -0.41345 -0.592361 80.4156 -51.312 32.1719 # jumping subtree containing (T0187)E226 jump= -0.994554 0.076102 0.0672033 -0.0235426 21.418 -14.7464 29.6175 # jumping subtree containing (T0187)R103 jump= 0.749539 -0.0234602 0.0922224 0.655084 -37.0371 8.77726 -15.136 # jumping subtree containing (T0187)T209 jump= 0.938877 0.235735 0.166212 0.187918 -71.1657 57.235 -9.63711 # jumping subtree containing (T0187)S200 jump= 0.902425 -0.053675 -0.161547 0.39579 70.1822 22.9162 25.2689 # jumping subtree containing (T0187)E226 jump= 0.981742 0.0390109 -0.0694178 -0.172749 34.2392 7.48387 -13.1869 # jumping subtree containing (T0187)R103 jump= -0.207804 -0.659556 0.382235 -0.612944 -124.704 138.166 203.368 # Removing break before 46 # jumping subtree containing (T0187)L144 jump= 0.630082 0.654932 -0.348865 -0.228809 74.766 98.8546 96.0518 # jumping subtree containing (T0187)G124 jump= 0.904914 0.132842 0.172918 -0.36549 -52.5978 4.45071 0.372072 # jumping subtree containing (T0187)R103 jump= 0.583368 0.380567 -0.20857 0.686549 -59.3906 169.662 70.8923 # jumping subtree containing (T0187)R103 jump= 0.0199551 -0.736832 -0.584043 -0.339962 -94.7286 -4.74286 277.587 # jumping subtree containing (T0187)A180 jump= 0.72344 0.577778 -0.0562731 0.373686 -57.5605 139.822 64.4676 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)A180 jump= -0.24957 -0.0287127 -0.69379 -0.674941 -110.73 -85.9695 107.104 # jumping subtree containing (T0187)G124 jump= -0.257336 0.158311 -0.269086 0.914499 -159.053 67.492 21.9549 # generation 103: best score out of 40: T0187.try1-al10 72.309 cost/residue, 384 clashes 0.0157712 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 808 ## CrossAndInsert 68 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 155 ## OptSubtree 1643 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S137 jump= 0.969339 0.155143 -0.0974508 0.163753 10.6101 57.6796 7.83611 # jumping subtree containing (T0187)R103 jump= 0.309867 0.316722 0.224795 0.867835 -159.478 -0.378937 55.1321 # jumping subtree containing (T0187)A180 jump= 0.966323 -0.239791 -0.0876446 0.0322288 32.2313 -45.6565 40.4647 # jumping subtree containing (T0187)E226 jump= -0.762369 0.518897 0.385223 -0.0338068 72.5899 -102.382 94.8367 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)G124 jump= 0.455659 0.387169 -0.557767 0.575648 -25.1571 181.611 184.998 # jumping subtree containing (T0187)P91 jump= -0.920882 0.353176 -0.0605802 -0.153533 17.5808 -65.3567 54.2999 # jumping subtree containing (T0187)E226 jump= -0.749212 -0.205386 -0.262778 0.572229 -39.0175 88.3725 29.799 # jumping subtree containing (T0187)S137 jump= 0.490362 -0.43673 0.749639 0.0827838 -148.389 -103.63 184.689 # jumping subtree containing (T0187)E226 jump= 0.697241 0.640141 -0.0238311 -0.321723 36.6499 123.861 116.461 # jumping subtree containing (T0187)S200 jump= 0.253838 -0.305267 -0.888854 0.228729 47.0446 43.9394 292.757 # jumping subtree containing (T0187)E226 jump= -0.955237 -0.0987065 -0.232718 0.153691 -58.9959 41.3831 9.96989 # generation 104: best score out of 40: T0187.try1-al10 72.309 cost/residue, 384 clashes 0.0157712 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 818 ## CrossAndInsert 68 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 157 ## OptSubtree 1663 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.69175 0.583262 0.218421 0.365486 -25.2058 -110.093 113.958 # jumping subtree containing (T0187)R103 jump= 0.611462 -0.464275 0.63972 0.0363554 -125.807 -101.252 135.925 # jumping subtree containing (T0187)E226 jump= 0.484043 0.127128 0.288203 0.816382 -82.6668 -24.2448 22.2098 # jumping subtree containing (T0187)T209 jump= -0.603422 -0.0896718 -0.146517 0.7787 -53.2895 68.8285 19.394 # jumping subtree containing (T0187)V197 jump= -0.852056 -0.173698 0.455489 0.19068 109.167 30.5361 73.0967 # jumping subtree containing (T0187)E226 jump= 0.505641 -0.339537 0.774274 -0.171879 -134.413 -10.991 163.529 # jumping subtree containing (T0187)E226 jump= 0.910192 0.234712 -0.321694 -0.113906 72.8697 65.9184 51.2367 # jumping subtree containing (T0187)A180 jump= 0.143449 0.194573 -0.760343 0.602862 -96.1155 131.651 189.362 # generation 105: best score out of 40: T0187.try1-al10 72.3089 cost/residue, 384 clashes 0.0157703 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 825 ## CrossAndInsert 68 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 157 ## OptSubtree 1680 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.965476 0.212586 0.0429456 -0.144287 3.82754 39.1783 -15.5628 # jumping subtree containing (T0187)A180 jump= 0.999553 -0.00475339 0.00901483 0.0280992 1.38099 -18.024 12.9849 # jumping subtree containing (T0187)G124 jump= -0.547682 -0.791838 0.257488 -0.0820769 32.7667 112.536 225.056 # jumping subtree containing (T0187)S200 jump= 0.980527 0.119055 0.132448 -0.0827698 -32.9718 11.6838 9.56695 # Removing break moved up 3 to before 92 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)S200 jump= -0.725986 -0.39951 -0.454555 -0.326674 -134.577 64.1436 98.0805 # jumping subtree containing (T0187)G135 jump= -0.437329 0.416776 0.387023 0.696602 -94.8195 -101.962 129.733 # jumping subtree containing (T0187)G124 jump= 0.842702 0.236046 0.483639 -0.0151522 -139.809 65.2121 51.1051 # Removing break moved up 3 to before 92 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)V197 jump= -0.279173 -0.604462 0.13355 0.734066 97.9982 39.4411 88.2792 # jumping subtree containing (T0187)L120 jump= 0.352025 -0.43789 0.424052 0.710289 14.0053 -89.7849 39.5919 # jumping subtree containing (T0187)A180 jump= -0.771275 0.23171 -0.22053 0.550283 -129.67 -49.9796 37.2476 # generation 106: best score out of 40: T0187.try1-al10 72.3089 cost/residue, 384 clashes 0.0157703 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 836 ## CrossAndInsert 68 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 157 ## OptSubtree 1696 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S137 jump= -0.942015 -0.19442 -0.23455 -0.140698 -81.2327 74.9922 -1.18993 # jumping subtree containing (T0187)T209 jump= -0.588928 -0.0980097 -0.161986 -0.785696 -64.1329 31.3223 4.34067 # jumping subtree containing (T0187)V197 jump= 0.949202 0.30732 -0.0523657 -0.0427617 -7.63353 93.6458 17.2146 # jumping subtree containing (T0187)T209 jump= -0.399484 -0.380202 -0.746429 0.372427 -61.6774 124.811 204.535 # jumping subtree containing (T0187)E226 jump= 0.872223 0.0888392 -0.15119 -0.456591 32.857 16.5698 18.1304 # jumping subtree containing (T0187)E226 jump= 0.413166 -0.0586224 0.897845 -0.140471 -136.27 31.2762 217.834 # jumping subtree containing (T0187)G124 jump= 0.838935 0.223565 0.136951 -0.476918 -49.2535 60.5455 -12.361 # jumping subtree containing (T0187)P91 jump= -0.225102 0.845664 0.156541 0.457904 -125.163 -22.4575 197.167 # jumping subtree containing (T0187)L118 jump= -0.878021 0.396288 0.26792 0.0159102 59.3338 -93.5331 85.3946 # jumping subtree containing (T0187)E226 jump= 0.98248 0.0424375 -0.149779 -0.102465 44.7642 13.9584 36.0217 # jumping subtree containing (T0187)S200 jump= 0.592058 0.678948 0.426424 0.081609 -97.1817 150.456 163.484 # jumping subtree containing (T0187)S137 jump= 0.973455 -0.0321503 -0.187405 0.1274 52.1918 -5.87811 17.9059 # jumping subtree containing (T0187)P91 jump= -0.721015 0.331552 0.206001 -0.572516 104.387 -6.34056 36.0085 # jumping subtree containing (T0187)S137 jump= 0.739583 0.55055 0.368296 0.119452 -100.209 111.885 60.0983 # jumping subtree containing (T0187)E226 jump= 0.333112 -0.930571 0.0947276 0.118747 32.4798 -67.2443 236.917 # jumping subtree containing (T0187)T209 jump= 0.431141 -0.18251 -0.616643 0.632897 94.4982 128.967 136.635 # generation 107: best score out of 40: T0187.try1-al10 72.3089 cost/residue, 384 clashes 0.0157703 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 839 ## CrossAndInsert 68 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 157 ## OptSubtree 1717 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.500327 0.809427 0.0179939 -0.306884 49.2579 135.389 165.75 # jumping subtree containing (T0187)E226 jump= -0.313355 -0.643465 0.684198 -0.140122 16.5208 97.992 257.385 # jumping subtree containing (T0187)R103 jump= -0.573231 0.537261 0.561128 -0.260561 90.4232 -11.3529 203.09 # jumping subtree containing (T0187)F178 jump= -0.243784 0.174656 0.519422 0.800166 -93.1789 -128.404 71.8333 # jumping subtree containing (T0187)E226 jump= 0.0131884 -0.147783 0.0943118 -0.984424 -42.4122 35.0797 -2.97996 # jumping subtree containing (T0187)R103 jump= -0.986464 -0.113851 0.0164687 0.116857 -18.5138 10.7562 9.40761 # jumping subtree containing (T0187)L131 jump= 0.00455591 0.868056 0.428481 -0.250723 -7.6065 104.958 246.458 # jumping subtree containing (T0187)G124 jump= 0.777272 -0.183648 0.440534 0.409941 -104.451 -83.1484 8.73257 # generation 108: best score out of 40: T0187.try1-al10 72.0676 cost/residue, 384 clashes 0.0204113 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 844 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 157 ## OptSubtree 1735 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)A180 jump= -0.302038 -0.507304 -0.705737 -0.3916 -177.563 -0.10627 164.239 # jumping subtree containing (T0187)R103 jump= -0.843527 0.272083 -0.432874 0.164479 -138.397 -78.3475 62.6747 # jumping subtree containing (T0187)G124 jump= -0.948298 -0.0554464 0.219363 0.222569 70.5474 -17.7759 14.8517 # jumping subtree containing (T0187)E226 jump= -0.335722 0.0630014 -0.423717 -0.838919 -62.4011 -94.9008 51.5437 # jumping subtree containing (T0187)S137 jump= -0.968371 0.176773 -0.150593 -0.0912754 -10.2749 -40.7186 -6.52636 # generation 109: best score out of 40: T0187.try1-al10 72.0676 cost/residue, 384 clashes 0.0204113 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 852 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 159 ## OptSubtree 1755 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.679378 -0.346242 -0.204681 0.613733 -0.245815 108.91 28.3422 # jumping subtree containing (T0187)R103 jump= -0.120002 0.672372 -0.604954 -0.409323 23.8645 -85.8631 198.867 # jumping subtree containing (T0187)A180 jump= 0.944583 -0.199661 -0.23406 0.114519 50.8386 -28.3337 59.7544 # jumping subtree containing (T0187)E226 jump= -0.918988 -0.0594566 0.219202 -0.322299 40.1961 17.5916 17.5203 # jumping subtree containing (T0187)E226 jump= -0.777181 -0.426499 -0.341473 0.312227 -55.6541 119.703 53.2633 # jumping subtree containing (T0187)P237 jump= -0.33664 0.292514 -0.691961 -0.567713 -26.0175 -124.014 111.238 # jumping subtree containing (T0187)E226 jump= -0.35626 -0.711183 0.556314 0.240443 119.521 15.2017 212.07 # jumping subtree containing (T0187)E226 jump= 0.247504 0.264757 0.581282 0.72853 -118.752 -73.8404 97.3416 # jumping subtree containing (T0187)E226 jump= 0.988833 -0.0426316 -0.0118694 -0.142303 -6.92933 -23.188 5.52267 # jumping subtree containing (T0187)R103 jump= -0.764675 0.515011 -0.164567 0.350647 -119.319 -124.333 119 # jumping subtree containing (T0187)E226 jump= -0.476424 0.0972678 0.7458 0.455349 56.5393 -121.5 180.82 # jumping subtree containing (T0187)Q142 jump= 0.328809 -0.43866 0.380459 -0.74479 -156.685 89.9655 138.441 # jumping subtree containing (T0187)Q142 jump= 0.851913 -0.0740358 -0.254088 -0.451888 -4.45293 -75.1043 35.7893 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= -0.18453 -0.698522 0.102271 0.68378 131.48 10.3659 141.568 # generation 110: best score out of 40: T0187.try1-al10 72.0676 cost/residue, 384 clashes 0.0204113 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 863 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 160 ## OptSubtree 1776 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.578261 0.704909 -0.0572713 -0.40674 58.6437 -105.05 135.596 # jumping subtree containing (T0187)T209 jump= 0.935947 -0.117616 -0.187224 -0.274075 12.4283 -36.8579 29.7256 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)L120 jump= 0.0747418 -0.888968 -0.0469876 0.449379 84.0638 23.1292 179.296 # jumping subtree containing (T0187)E226 jump= 0.983686 0.0602831 0.0315951 0.166525 -22.153 30.7474 -4.10419 # jumping subtree containing (T0187)E226 jump= -0.680841 0.412958 -0.197822 -0.571654 9.22543 -94.415 71.0576 # jumping subtree containing (T0187)Q142 jump= -0.999926 -0.00201519 0.0114078 0.0036625 7.18356 -22.5998 -15.9856 # jumping subtree containing (T0187)Q142 jump= -0.274599 0.186072 -0.933955 -0.133042 -100.691 -69.0619 210.554 # jumping subtree containing (T0187)E226 jump= -0.743923 0.525271 -0.404312 -0.0848581 -80.4973 -133.621 132.427 # jumping subtree containing (T0187)R103 jump= 0.99551 -0.0273206 0.090625 0.00118489 -26.7347 -22.5573 -10.7445 # generation 111: best score out of 40: T0187.try1-al10 72.0675 cost/residue, 384 clashes 0.0204113 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 874 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 160 ## OptSubtree 1789 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V197 jump= 0.974452 -0.00109577 0.220019 -0.0451079 -57.0932 -0.0804726 -10.776 # jumping subtree containing (T0187)E226 jump= -0.996766 0.0747376 -0.00910391 -0.0280792 18.9484 -26.9372 -10.077 # Removing break before 12 # jumping subtree containing (T0187)E226 jump= 0.572542 -0.0517693 0.513732 0.636863 -60.7444 -90.8661 43.1742 # jumping subtree containing (T0187)S200 jump= 0.934553 0.301186 -0.0333435 -0.186509 32.451 68.8611 24.614 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)S200 jump= -0.95952 -0.0232469 -0.187004 -0.209308 -64.0589 0.558223 -11.2221 # jumping subtree containing (T0187)Q142 jump= 0.138523 0.205621 -0.154407 0.956394 -111.914 101.463 45.5415 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # generation 112: best score out of 40: T0187.try1-al10 72.0675 cost/residue, 384 clashes 0.0204113 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 880 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 160 ## OptSubtree 1809 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P237 jump= -0.32314 -0.610923 0.40454 0.598916 116.554 -30.8997 124.475 # jumping subtree containing (T0187)Q142 jump= -0.923106 -0.272435 0.131312 -0.237513 46.7808 106.584 10.8096 # jumping subtree containing (T0187)T116 jump= -0.978442 -0.0393016 -0.0562803 -0.194779 8.01267 39.9526 -15.8186 # jumping subtree containing (T0187)T209 jump= -0.97387 -0.0194288 0.164438 -0.155433 58.6007 22.9161 39.035 # jumping subtree containing (T0187)L121 jump= 0.989495 -0.0197974 -0.139271 0.033327 55.1387 -18.0599 13.5255 # jumping subtree containing (T0187)E226 jump= -0.00795528 0.355602 0.689935 0.630455 -73.2204 -106.036 182.814 # jumping subtree containing (T0187)P237 jump= -0.667746 0.667638 0.0672096 -0.322268 73.2952 -107.113 151.018 # Removing break moved up 3 to before 92 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)R103 jump= 0.147836 -0.143699 -0.730363 -0.651202 -86.4397 -123.294 146.246 # generation 113: best score out of 40: T0187.try1-al10 72.0675 cost/residue, 384 clashes 0.0204113 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 890 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 160 ## OptSubtree 1827 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= 0.956985 -0.233895 0.171666 -0.00190613 -38.3814 -45.3613 32.0121 # jumping subtree containing (T0187)E226 jump= 0.793047 -0.50293 -0.330531 0.094266 71.8116 -68.0539 105.898 # jumping subtree containing (T0187)I232 jump= -0.179076 -0.582214 -0.355772 -0.708791 -135.799 9.43398 131.151 # jumping subtree containing (T0187)P91 jump= -0.324524 -0.442508 -0.393706 0.737473 29.1396 151.699 71.6614 # jumping subtree containing (T0187)S200 jump= -0.113786 0.571947 0.124297 0.802795 -155.231 14.6737 114.135 # jumping subtree containing (T0187)E226 jump= -0.999917 0.00761076 0.0044818 -0.00933306 -11.1054 -0.296505 27.3617 # jumping subtree containing (T0187)P237 jump= -0.105899 0.746664 0.473137 -0.455433 102.833 89.5375 233.869 # jumping subtree containing (T0187)S200 jump= -0.99728 -0.0511136 0.0184538 0.0497993 21.8372 5.13692 9.49161 # jumping subtree containing (T0187)V177 jump= -0.992895 0.0391959 -0.0774109 0.081428 -33.151 -21.3358 23.0123 # Removing break moved up 3 to before 54 # generation 114: best score out of 40: T0187.try1-al10 72.0675 cost/residue, 384 clashes 0.0204113 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 899 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 160 ## OptSubtree 1847 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I232 jump= 0.7666 0.353706 0.518383 0.135998 -152.768 47.1931 101.019 # jumping subtree containing (T0187)A199 jump= -0.260109 0.528395 -0.276898 -0.759256 82.5478 -38.0667 66.9342 # jumping subtree containing (T0187)S200 jump= 0.961744 0.118496 0.0613323 0.23926 -15.9829 45.918 -0.251806 # jumping subtree containing (T0187)L120 jump= 0.393162 0.260282 0.792501 0.386808 -192.732 7.71384 165.062 # jumping subtree containing (T0187)T209 jump= 0.893324 0.0974301 -0.148694 0.412758 51.1909 47.555 27.7493 # Removing break before 12 # jumping subtree containing (T0187)L214 jump= -0.741729 0.50764 -0.355674 -0.256194 -43.408 -111.21 87.4339 # jumping subtree containing (T0187)E226 jump= -0.999986 0.00244952 -0.00461759 -0.000488165 16.1392 -13.5788 -12.5211 # jumping subtree containing (T0187)A180 jump= -0.984053 0.168244 -0.0172285 0.0551041 -14.2441 -24.3433 -7.43832 # jumping subtree containing (T0187)E226 jump= -0.434457 -0.367267 0.00403405 -0.822402 -84.7877 55.3934 44.2267 # jumping subtree containing (T0187)E226 jump= 0.743964 -0.338596 -0.408029 -0.406673 35.0595 -135.632 69.0094 # jumping subtree containing (T0187)E226 jump= 0.95696 0.0430096 0.28193 -0.0537905 -77.9981 29.4824 32.3159 # jumping subtree containing (T0187)R103 jump= -0.716417 -0.364908 -0.0403633 -0.593263 -57.8792 103.184 37.8589 # generation 115: best score out of 40: T0187.try1-al10 72.0675 cost/residue, 384 clashes 0.0204113 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 913 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 160 ## OptSubtree 1857 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S200 jump= -0.981802 0.131755 0.0473151 0.128322 -0.210323 -40.8242 36.9786 # jumping subtree containing (T0187)L120 jump= -0.992112 0.0611008 0.0865313 0.0670307 10.4985 -11.2849 29.8126 # Removing break moved up 3 to before 92 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)R103 jump= 0.0626259 0.64153 -0.75977 -0.0852441 3.51513 -23.0813 304.64 # jumping subtree containing (T0187)T116 jump= 0.0344715 -0.195288 -0.979639 -0.0313254 -61.8171 10.724 283.012 # jumping subtree containing (T0187)E226 jump= -0.955266 -0.292373 0.0351376 -0.0274053 15.5937 92.8188 41.6371 # jumping subtree containing (T0187)E226 jump= 0.915782 0.371873 -0.0923526 -0.120517 32.7507 76.2172 57.2652 # jumping subtree containing (T0187)K163 jump= -0.90692 0.172799 0.382719 -0.0340833 79.0461 -50.7127 78.7804 # jumping subtree containing (T0187)E226 jump= -0.389449 -0.149916 -0.897189 0.144589 -134.123 41.8476 219.618 # generation 116: best score out of 40: T0187.try1-al10 72.0675 cost/residue, 384 clashes 0.0204113 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 918 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 160 ## OptSubtree 1878 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.369953 0.275207 -0.302816 -0.834085 73.7542 -35.8405 60.9878 # jumping subtree containing (T0187)Q142 jump= -0.710713 0.256512 -0.649213 0.0872352 -119.233 -33.3127 93.747 # jumping subtree containing (T0187)K219 jump= 0.46375 -0.518122 0.164417 -0.699609 -134.953 -20.2631 79.2293 # jumping subtree containing (T0187)E226 jump= 0.755951 0.464765 0.167539 -0.429491 -16.1244 108.067 43.9933 # jumping subtree containing (T0187)Q142 jump= 0.196619 -0.682959 -0.681687 -0.173813 -75.6822 6.8368 242.908 # jumping subtree containing (T0187)R103 jump= -0.884197 -0.0905124 0.23716 0.39212 20.5009 -22.9733 20.2331 # jumping subtree containing (T0187)S200 jump= 0.86066 0.106998 -0.322926 0.378859 88.819 54.861 50.0694 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)R103 jump= -0.0246082 -0.510732 0.453068 -0.730258 -160.027 111.486 165.777 # generation 117: best score out of 40: T0187.try1-al10 72.0675 cost/residue, 384 clashes 0.0204113 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 929 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 160 ## OptSubtree 1891 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.705779 -0.0583952 -0.48085 0.516961 -93.5915 98.9455 44.0111 # jumping subtree containing (T0187)T209 jump= 0.848394 -0.491867 -0.189482 -0.0489032 35.864 -129.777 92.4388 # jumping subtree containing (T0187)R103 jump= -0.781921 0.184337 0.58605 0.105666 99.7035 -58.5904 157.281 # jumping subtree containing (T0187)E226 jump= -0.98907 0.0639963 -0.0761773 -0.108824 -34.9049 -17.9502 15.3082 # jumping subtree containing (T0187)G123 jump= 0.986559 -0.108029 0.115969 0.0397857 -18.1176 -30.5038 -13.6461 # jumping subtree containing (T0187)P91 jump= 0.0545895 0.285051 0.953996 0.0752136 -85.7238 -3.71661 264.25 # jumping subtree containing (T0187)R103 jump= -0.874473 -0.0831713 -0.00527812 -0.477862 -11.7896 67.8387 -18.468 # jumping subtree containing (T0187)V197 jump= -0.965626 -0.184473 -0.0827017 0.16339 -39.0097 32.9876 -18.268 # jumping subtree containing (T0187)S200 jump= -0.916806 -0.384491 -0.100089 -0.0401822 -38.3044 103.577 38.5426 # jumping subtree containing (T0187)T209 jump= 0.386732 0.408461 -0.0727006 0.823597 -70.5428 124.257 53.6149 # jumping subtree containing (T0187)Q142 jump= -0.085237 0.74716 -0.0785518 0.654458 -172.986 62.7408 177.856 # jumping subtree containing (T0187)E226 jump= 0.375322 -0.339131 -0.452043 -0.734698 -32.9368 -107.378 87.1178 # generation 118: best score out of 40: T0187.try1-al10 72.0675 cost/residue, 384 clashes 0.0204113 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 942 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 160 ## OptSubtree 1902 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.724715 -0.350185 0.0945576 -0.585848 -93.826 -65.4587 20.8512 # jumping subtree containing (T0187)S200 jump= 0.873435 -0.033196 -0.473772 0.107467 110.309 15.1312 55.1646 # jumping subtree containing (T0187)R103 jump= -0.81428 0.215012 0.522281 0.13394 86.5416 -74.8506 116.809 # jumping subtree containing (T0187)E226 jump= -0.999999 -0.000986352 0.000106883 -0.000993004 1.4173 -23.2033 -4.82583 # jumping subtree containing (T0187)S200 jump= 0.566111 0.253375 -0.780302 0.080303 101.684 50.838 211.9 # jumping subtree containing (T0187)E226 jump= -0.410218 -0.831687 -0.123355 -0.353273 -95.0148 121.886 191.73 # jumping subtree containing (T0187)E226 jump= -0.329004 -0.534876 -0.0437702 0.777012 114.018 67.162 65.3262 # jumping subtree containing (T0187)Q142 jump= 0.889628 -0.224254 -0.389409 -0.0814379 57.3316 -42.665 108.34 # jumping subtree containing (T0187)D109 jump= -0.977056 -0.111761 -0.154876 0.0942531 -50.0376 18.2599 9.57888 # jumping subtree containing (T0187)P91 jump= -0.250676 0.110973 -0.785659 0.554604 -120.964 107.223 174.387 # generation 119: best score out of 40: T0187.try1-al10 72.0675 cost/residue, 384 clashes 0.0204113 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 954 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 160 ## OptSubtree 1914 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.835909 0.467014 0.280212 -0.0680809 55.5681 -90.236 63.348 # jumping subtree containing (T0187)E226 jump= -0.559352 -0.6806 0.220041 -0.418917 -32.6886 159.47 147.743 # jumping subtree containing (T0187)S200 jump= -0.368387 0.17246 -0.34884 0.84431 -135.293 84.9282 67.1943 # jumping subtree containing (T0187)E235 jump= -0.726356 -0.663189 -0.0793043 0.162166 27.8637 159.242 108.004 # jumping subtree containing (T0187)E226 jump= -0.276284 -0.618404 0.303797 0.670038 109.235 -28.3404 130.828 # jumping subtree containing (T0187)R103 jump= 0.454475 0.0212128 -0.889884 0.0333048 60.8025 6.12816 256.345 # jumping subtree containing (T0187)R103 jump= 0.32045 -0.14043 -0.310913 0.8837 3.52459 134.528 23.7581 # jumping subtree containing (T0187)R103 jump= 0.980409 -0.0826574 -0.151818 0.0944356 47.2819 -17.6588 6.30083 # jumping subtree containing (T0187)R103 jump= 0.422562 0.189655 -0.324034 0.824909 -69.3572 140.731 78.5352 # jumping subtree containing (T0187)V197 jump= 0.0768753 -0.389369 0.129518 0.908684 59.3189 4.7258 44.7655 # jumping subtree containing (T0187)E226 jump= -0.825344 0.475567 -0.0349598 0.302361 -56.7372 -94.8105 64.8797 # jumping subtree containing (T0187)T209 jump= 0.409951 0.618526 0.639291 -0.201676 -69.409 114.044 197.972 # jumping subtree containing (T0187)D196 jump= -0.00357233 0.954522 0.103186 0.279693 -73.582 32.1941 222.464 # jumping subtree containing (T0187)T209 jump= 0.0330194 0.1242 0.968774 0.212042 -44.2474 -64.6668 242.095 # generation 120: best score out of 40: T0187.try1-al10 72.0675 cost/residue, 384 clashes 0.0204113 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 967 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 160 ## OptSubtree 1925 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.533977 -0.684121 0.421685 0.262732 89.3834 65.9918 143.671 # jumping subtree containing (T0187)E226 jump= 0.979094 -0.157253 -0.0224342 -0.127058 0.117867 -59.4068 10.1419 # jumping subtree containing (T0187)R103 jump= 0.850036 -0.329792 0.127525 -0.390402 -110.914 -83.2478 59.214 # jumping subtree containing (T0187)T209 jump= 0.864937 0.145572 -0.360546 -0.317331 84.1043 27.5851 45.5784 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= -0.998052 -0.0451014 0.0215302 -0.0373555 27.2988 26.8872 7.74111 # jumping subtree containing (T0187)R103 jump= -0.950658 -0.119816 0.284731 -0.028681 53.5335 55.6721 43.9806 # jumping subtree containing (T0187)E226 jump= 0.571005 0.0630833 -0.786982 0.225017 110.296 73.9367 158.541 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)Q142 jump= -0.931801 0.217384 0.272518 -0.10112 83.048 -40.4243 48.7491 # generation 121: best score out of 40: T0187.try1-al10 72.0675 cost/residue, 384 clashes 0.0204113 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 127 ## TwoFragment 26 ## CrossOver 983 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 160 ## OptSubtree 1933 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= 0.302231 0.394406 0.156224 -0.853636 16.5147 131.065 21.5235 # jumping subtree containing (T0187)P91 jump= -0.552189 0.270483 0.329789 -0.716355 64.0396 82.4301 64.5316 # jumping subtree containing (T0187)V197 jump= 0.983457 0.0782984 -0.152384 -0.0588364 22.6735 4.37377 -1.69478 # jumping subtree containing (T0187)P91 jump= -0.999287 -0.0115607 -0.0255526 -0.0252632 -13.2459 32.3809 -1.46162 # jumping subtree containing (T0187)I155 jump= -0.0336092 0.978384 0.120915 0.16436 -33.907 62.3815 251.57 # jumping subtree containing (T0187)Q142 jump= 0.265262 0.429895 -0.641467 0.577362 -40.2395 168.737 211.452 # jumping subtree containing (T0187)E226 jump= -0.269933 -0.0337765 0.698978 -0.661381 25.0627 152.232 142.431 # jumping subtree containing (T0187)S154 jump= -0.320464 0.667683 0.015119 -0.67177 134.957 31.3559 107.17 # jumping subtree containing (T0187)Q142 jump= -0.91336 0.176581 0.356151 -0.0880348 84.1808 -7.71293 79.9935 # jumping subtree containing (T0187)Q142 jump= 0.917501 0.244134 -0.299108 0.0955242 83.6135 75.8143 48.1549 # generation 122: best score out of 40: T0187.try1-al10 72.0471 cost/residue, 380 clashes 0.0204113 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 128 ## TwoFragment 26 ## CrossOver 996 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 160 ## OptSubtree 1943 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= -0.99685 -0.0151134 0.0776619 0.00551583 23.4443 8.76085 16.1309 # jumping subtree containing (T0187)E226 jump= 0.869048 0.0892746 -0.394693 0.284611 71.8889 68.3624 37.4437 # jumping subtree containing (T0187)S200 jump= 0.0257299 0.226368 0.302647 -0.925473 33.7869 106.793 27.8817 # jumping subtree containing (T0187)R103 jump= -0.419829 0.56523 -0.418492 -0.573693 23.1266 -99.9867 112.457 # jumping subtree containing (T0187)K219 jump= -0.611867 -0.246973 -0.746209 -0.08829 -119.622 19.7297 143.958 # jumping subtree containing (T0187)R103 jump= -0.367651 0.814395 0.380228 0.238789 -65.2768 -65.565 277.631 # jumping subtree containing (T0187)E226 jump= 0.609396 -0.492072 0.0508449 0.61961 58.9125 -72.9947 71.3546 # jumping subtree containing (T0187)E226 jump= 0.964788 -0.175773 -0.157923 -0.115539 18.71 -55.6384 2.44797 # jumping subtree containing (T0187)R103 jump= -0.125785 0.362719 0.893545 -0.232789 -3.56523 60.3877 265.602 # jumping subtree containing (T0187)E226 jump= 0.0922694 0.0784749 -0.917415 -0.379047 10.8522 -111.022 211.563 # jumping subtree containing (T0187)R103 jump= 0.942306 -0.292216 -0.0468192 0.15645 42.2341 -75.8979 53.864 # jumping subtree containing (T0187)E226 jump= -0.786864 -0.337433 0.421811 -0.298428 50.5307 115.822 106.903 # generation 123: best score out of 40: T0187.try1-al10 72.0471 cost/residue, 380 clashes 0.0204113 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 128 ## TwoFragment 26 ## CrossOver 1006 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 160 ## OptSubtree 1957 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L128 jump= 0.969606 0.135388 -0.157076 -0.129856 11.9031 17.7045 7.82756 # jumping subtree containing (T0187)S126 jump= -0.760812 0.335861 -0.13133 -0.53955 -13.2676 -67.8334 5.05417 # jumping subtree containing (T0187)Q142 jump= 0.936781 0.276662 0.117148 0.179377 -32.0112 84.8063 -27.4936 # jumping subtree containing (T0187)A153 jump= -0.999546 -0.00623021 -0.0164512 0.0244517 9.05436 15.2193 -1.34949 # jumping subtree containing (T0187)E226 jump= 0.14374 0.496727 0.0386069 0.85505 -126.334 0.450027 93.9684 # jumping subtree containing (T0187)Q142 jump= 0.996294 0.0407804 0.0336942 0.0678259 -22.9885 14.7951 -15.8825 # jumping subtree containing (T0187)S200 jump= -0.999257 0.0359207 0.00236082 0.0137357 15.7959 -6.86489 -6.34195 # jumping subtree containing (T0187)E226 jump= -0.609358 -0.471094 0.409194 0.489196 132.551 23.6563 95.4369 # jumping subtree containing (T0187)K99 jump= 0.832783 -0.0370125 -0.350408 0.426985 92.9248 59.6853 61.3348 # generation 124: best score out of 40: T0187.try1-al10 72.047 cost/residue, 380 clashes 0.0204113 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 128 ## TwoFragment 26 ## CrossOver 1022 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 161 ## OptSubtree 1973 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= 0.915875 0.00773689 -0.104934 0.38743 9.69439 25.8795 2.53617 # jumping subtree containing (T0187)E226 jump= -0.223435 -0.106255 -0.0209833 0.968683 -5.66617 15.6761 -12.2202 # jumping subtree containing (T0187)Q142 jump= -0.92284 0.0566812 0.372428 -0.0803236 103.032 -14.9879 61.9975 # jumping subtree containing (T0187)I158 jump= 0.78963 -0.301444 0.516857 -0.135923 -132.436 -57.6484 121.31 # jumping subtree containing (T0187)S200 jump= 0.999993 0.000601164 0.00356871 -0.000820958 9.51859 10.616 -17.6635 # jumping subtree containing (T0187)E226 jump= -0.357303 -0.449683 0.777733 0.255443 84.4173 -22.3182 234.662 # jumping subtree containing (T0187)E226 jump= -0.112015 0.554949 0.162278 -0.808177 92.6647 55.7826 70.5515 # jumping subtree containing (T0187)Q142 jump= 0.494244 0.703918 -0.273706 -0.430472 106.577 97.6256 95.8153 # jumping subtree containing (T0187)Q142 jump= -0.775422 -0.0657339 -0.626377 -0.0452967 -144.854 22.923 47.0642 # jumping subtree containing (T0187)V228 jump= -0.344258 0.497277 -0.787551 -0.118172 -81.8047 -71.9657 229.004 # jumping subtree containing (T0187)S200 jump= -0.863975 0.322823 -0.385554 0.0261005 -98.849 -90.9987 48.8525 # jumping subtree containing (T0187)E226 jump= 0.928677 -0.325069 -0.140122 -0.110702 19.9263 -75.9117 45.5992 # generation 125: best score out of 40: T0187.try1-al10 72.033 cost/residue, 379 clashes 0.0204117 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1034 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 161 ## OptSubtree 1984 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.166746 0.33777 -0.783838 -0.493665 -23.8627 -123.097 198.197 # jumping subtree containing (T0187)P91 jump= 0.983123 0.149846 -0.102676 -0.0217505 41.1182 25.1518 23.0581 # jumping subtree containing (T0187)E226 jump= 0.698192 -0.400759 0.521524 0.282724 -68.4315 -102.551 87.5118 # jumping subtree containing (T0187)E226 jump= -0.658047 -0.359962 0.189393 -0.633666 -37.9081 117.173 56.1271 # jumping subtree containing (T0187)T236 jump= 0.729031 0.178292 0.659806 0.0371713 -128.595 32.0481 104.528 # jumping subtree containing (T0187)T209 jump= -0.999191 -0.0249173 -0.00387211 -0.0313213 2.38619 23.7916 3.19468 # jumping subtree containing (T0187)E226 jump= -0.384935 0.162295 0.0204721 0.908332 -60.0466 -14.428 29.6173 # jumping subtree containing (T0187)R103 jump= -0.455754 -0.718034 0.363514 -0.380227 -43.7493 137.442 234.201 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)E226 jump= -0.0134616 0.522135 -0.237816 -0.818924 101.615 -53.236 65.4181 # generation 126: best score out of 40: T0187.try1-al10 72.033 cost/residue, 379 clashes 0.0204117 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1043 ## CrossAndInsert 68 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 162 ## OptSubtree 2006 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= -0.175036 0.407141 0.576077 0.686829 -110.257 -65.8272 133.683 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)A180 jump= 0.0360999 0.738624 0.370114 0.56227 -170.97 -0.448032 211.237 # jumping subtree containing (T0187)L148 jump= -0.996004 -0.00303948 -0.0303669 0.0839279 1.29704 -10.3562 0.135657 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T209 jump= -0.690999 0.245449 0.161979 -0.660331 70.3931 4.08016 42.33 # jumping subtree containing (T0187)R103 jump= 0.999895 -0.00699276 0.0125668 0.00149229 3.79364 -7.24863 24.0125 # jumping subtree containing (T0187)T209 jump= 0.56712 -0.437218 0.538928 0.443589 -27.2458 -115.687 130.946 # jumping subtree containing (T0187)L148 jump= 0.35073 0.698836 0.56532 0.262735 -157.014 115.291 145.349 # jumping subtree containing (T0187)E226 jump= -0.199085 0.21514 0.886446 0.358181 4.16897 -85.2452 222.579 # generation 127: best score out of 40: T0187.try1-al10 71.7919 cost/residue, 376 clashes 0.0268123 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1055 ## CrossAndInsert 68 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2026 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.990098 -0.0583248 -0.0402757 0.121172 -9.78752 -0.918719 -16.5012 # jumping subtree containing (T0187)P91 jump= -0.121784 0.0646707 -0.792571 0.593984 -63.2022 120.137 211.369 # jumping subtree containing (T0187)T209 jump= -0.287309 0.205806 -0.535469 -0.767053 -17.2308 -90.6511 56.8115 # jumping subtree containing (T0187)R103 jump= 0.998332 -0.0294863 -0.0460417 0.0185229 -13.5666 -11.2007 10.1997 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)P91 jump= 0.563989 0.461445 -0.0736917 -0.680848 75.6845 51.6422 41.7959 # jumping subtree containing (T0187)S200 jump= -0.0659283 0.448364 -0.029749 0.89092 -119.255 42.6154 70.8818 # jumping subtree containing (T0187)S200 jump= -0.991022 0.127885 -0.0389676 0.00176698 -33.7445 -38.3184 13.6911 # jumping subtree containing (T0187)P91 jump= -0.125247 -0.226978 -0.907666 0.330056 -39.4241 107.393 249.953 # jumping subtree containing (T0187)E226 jump= 0.681164 -0.70952 0.0232544 -0.17904 -56.8862 -138.574 147.658 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)R103 jump= 0.999802 -0.00750646 -0.0156773 -0.00973483 8.96827 10.7833 15.5961 # jumping subtree containing (T0187)E226 jump= 0.637116 -0.491397 -0.593571 -0.016883 96.1395 -68.6124 168.801 # jumping subtree containing (T0187)L214 jump= 0.246196 -0.105612 0.958661 0.0959311 -73.6221 -12.4085 260.473 # generation 128: best score out of 40: T0187.try1-al10 71.7919 cost/residue, 376 clashes 0.0268123 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1066 ## CrossAndInsert 69 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2049 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 66 # jumping subtree containing (T0187)E157 jump= -0.770643 0.472275 0.326606 -0.276396 104.897 -44.5439 117.426 # jumping subtree containing (T0187)R103 jump= 0.930508 -0.0248279 -0.125972 0.34303 60.3577 -21.12 11.2235 # jumping subtree containing (T0187)P91 jump= 0.527576 0.127717 0.564095 -0.622213 -108.865 125.964 93.1076 # jumping subtree containing (T0187)E226 jump= 0.372925 0.282711 0.570015 0.67534 -103.638 -51.1497 96.5763 # jumping subtree containing (T0187)Q142 jump= 0.476146 0.081052 -0.43456 -0.76018 -22.1382 -75.2333 24.4403 # jumping subtree containing (T0187)Q142 jump= 0.989244 -0.0635305 0.116438 -0.0616684 -44.2179 -18.4066 -7.78619 # generation 129: best score out of 40: T0187.try1-al10 71.7919 cost/residue, 376 clashes 0.0268114 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1077 ## CrossAndInsert 69 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2069 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I98 jump= -0.691872 -0.32376 0.266204 0.587901 63.3977 0.609228 27.9303 # jumping subtree containing (T0187)E226 jump= 0.933366 -0.317969 0.0247134 0.164658 18.7414 -54.8485 25.4177 # jumping subtree containing (T0187)A180 jump= -0.970866 -0.124818 0.193692 0.0657574 57.4098 42.1677 33.447 # jumping subtree containing (T0187)R103 jump= -0.995935 0.00185639 0.0900097 0.00277349 6.05119 -7.04954 7.60653 # jumping subtree containing (T0187)Q142 jump= 0.737235 0.663799 0.12402 0.0217866 -19.4745 174.015 79.1369 # jumping subtree containing (T0187)P91 jump= 0.691688 0.688993 0.205487 -0.0680552 -20.045 167.452 96.406 # jumping subtree containing (T0187)Q142 jump= -0.0938008 -0.348458 -0.0363748 -0.931909 -128.957 62.1855 36.801 # jumping subtree containing (T0187)S200 jump= -0.0479455 0.978205 0.195712 0.0501275 -6.58602 17.8161 276.507 # jumping subtree containing (T0187)Q142 jump= 0.789136 -0.0715272 0.0887952 -0.603543 -99.5714 -8.84936 6.18548 # jumping subtree containing (T0187)P91 jump= -0.748928 -0.0326089 0.6566 0.0831862 127.164 0.119925 139.501 # jumping subtree containing (T0187)E226 jump= -0.945386 -0.282372 -0.0400001 -0.157833 -23.7251 94.7667 4.46353 # generation 130: best score out of 40: T0187.try1-al10 71.7919 cost/residue, 376 clashes 0.0268114 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1087 ## CrossAndInsert 69 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2083 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.516364 -0.46567 -0.338327 0.634077 8.44204 120.966 55.3077 # jumping subtree containing (T0187)D196 jump= 0.973927 0.180634 -0.017643 0.136114 1.73368 71.1252 -1.48907 # jumping subtree containing (T0187)V177 jump= 0.797853 -0.350795 -0.394384 0.291263 100.43 -31.0206 107.297 # jumping subtree containing (T0187)E157 jump= -0.843583 0.353699 0.384439 0.124384 59.4857 -102.805 100.816 # jumping subtree containing (T0187)V197 jump= 0.0480039 0.93335 0.221352 -0.278489 70.6053 57.4867 241.435 # jumping subtree containing (T0187)T209 jump= 0.651695 0.594602 -0.36887 0.292706 27.203 163.529 104.462 # jumping subtree containing (T0187)E226 jump= 0.342783 -0.183549 -0.905713 -0.168801 68.7778 -60.697 242.321 # jumping subtree containing (T0187)Q142 jump= -0.934586 -0.185677 0.198165 0.229792 48.718 15.1993 30.0729 # generation 131: best score out of 40: T0187.try1-al10 71.7919 cost/residue, 376 clashes 0.0268114 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1097 ## CrossAndInsert 69 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2103 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E157 jump= 0.817203 0.221719 0.112548 0.519955 -26.1561 69.8332 -3.67275 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)Q142 jump= 0.956283 0.0706526 0.283516 0.0122009 -70.1512 6.07771 10.3522 # jumping subtree containing (T0187)Q167 jump= 0.307801 -0.322366 0.795995 -0.40955 -164.452 67.4644 212.184 # jumping subtree containing (T0187)E130 jump= 0.762639 0.0378146 -0.407285 0.501071 57.7987 82.106 89.5521 # jumping subtree containing (T0187)R103 jump= -0.563622 0.605813 0.0758219 -0.556392 105.123 -33.8767 82.8788 # jumping subtree containing (T0187)E226 jump= 0.350512 -0.593828 0.718989 -0.0869727 -72.0628 -65.4173 243.556 # jumping subtree containing (T0187)S122 jump= 0.923081 -0.0873937 0.0282579 -0.373476 -54.6358 -35.2316 1.7062 # jumping subtree containing (T0187)E226 jump= 0.533588 -0.141809 0.400205 -0.731444 -86.8259 36.2014 44.6879 # generation 132: best score out of 40: T0187.try1-al10 71.7919 cost/residue, 376 clashes 0.0268114 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1112 ## CrossAndInsert 69 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2113 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= 0.0672722 0.0603216 -0.676138 -0.731214 -37.3586 -120.721 129.258 # jumping subtree containing (T0187)E157 jump= 0.813454 -0.24538 -0.507133 0.144557 114.122 -43.3935 109.439 # jumping subtree containing (T0187)E226 jump= -0.150854 0.518621 -0.556652 0.6312 -129.683 45.5727 153.175 # jumping subtree containing (T0187)P91 jump= 0.477429 -0.769802 -0.282019 0.31612 93.6747 -49.9719 211.893 # jumping subtree containing (T0187)E226 jump= -0.977536 0.110967 0.153457 -0.0925239 40.2947 -23.4632 30.7741 # jumping subtree containing (T0187)L214 jump= -0.997125 -0.0620339 0.0325736 -0.0288658 14.6818 30.6721 20.0645 # jumping subtree containing (T0187)E130 jump= 0.999997 -0.00156582 0.00210365 -0.000101909 7.46201 -24.524 14.4033 # generation 133: best score out of 40: T0187.try1-al10 71.7919 cost/residue, 376 clashes 0.0268114 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1120 ## CrossAndInsert 69 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2129 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.998241 0.0521476 0.017719 0.0219555 4.71938 25.1551 6.34138 # jumping subtree containing (T0187)S122 jump= 0.96871 0.134587 0.0281344 -0.20663 -9.14556 16.2886 16.8692 # jumping subtree containing (T0187)E226 jump= -0.949973 -0.188869 -0.138801 -0.206432 -35.4231 54.4917 -0.951876 # jumping subtree containing (T0187)S122 jump= 0.570682 -0.263955 -0.775849 -0.052038 84.2349 -47.2922 249.475 # jumping subtree containing (T0187)E226 jump= -0.229826 -0.290776 -0.599801 -0.709132 -115.468 -108.411 114.068 # jumping subtree containing (T0187)S200 jump= 0.864432 -0.475559 -0.0637568 -0.15012 -35.4307 -119.395 74.5323 # jumping subtree containing (T0187)E157 jump= 0.538639 0.763369 0.339447 -0.10914 -27.1655 160.403 144.006 # generation 134: best score out of 40: T0187.try1-al10 71.7919 cost/residue, 376 clashes 0.0268114 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1126 ## CrossAndInsert 69 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2151 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S200 jump= 0.999546 0.0220665 0.0127959 0.0160271 -15.4592 22.0583 -17.3615 # jumping subtree containing (T0187)Q142 jump= -0.713108 -0.0542317 -0.518562 -0.468647 -120.787 -34.9953 22.4058 # jumping subtree containing (T0187)S122 jump= 0.54656 0.349945 -0.647481 0.399472 18.253 110.903 197.347 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)L118 jump= -0.198718 -0.746292 0.633651 0.0452252 32.308 18.7064 288.824 # jumping subtree containing (T0187)Q142 jump= -0.901453 0.42172 -0.0161224 0.0963098 -10.8311 -65.0506 80.6864 # jumping subtree containing (T0187)L214 jump= 0.289687 -0.287074 0.736965 0.53903 -19.2546 -109.442 163.703 # jumping subtree containing (T0187)E226 jump= -0.608179 -0.276835 -0.606112 0.431404 -84.7055 86.5207 110.36 # jumping subtree containing (T0187)E226 jump= 0.898085 -0.102023 0.154927 -0.398788 -45.1986 5.59529 10.9065 # jumping subtree containing (T0187)E226 jump= -0.935331 -0.202329 0.15706 0.244032 31.9239 48.5607 31.039 # generation 135: best score out of 40: T0187.try1-al10 71.7918 cost/residue, 376 clashes 0.0268119 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1139 ## CrossAndInsert 69 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2162 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V197 jump= -0.0727199 -0.913876 0.0944672 0.388096 93.5905 66.8406 186.681 # jumping subtree containing (T0187)E226 jump= 0.42418 0.368985 0.806524 0.182869 -120.811 -6.64617 213.792 # jumping subtree containing (T0187)S122 jump= -0.95869 0.0476534 -0.240637 0.144003 -84.5743 -12.1998 0.678316 # jumping subtree containing (T0187)E226 jump= 0.289169 -0.829912 0.317077 0.356495 41.2239 -90.184 198.707 # jumping subtree containing (T0187)V108 jump= -0.664455 0.271778 0.695034 0.0395597 94.8755 -33.9103 214.147 # jumping subtree containing (T0187)E157 jump= -0.655687 0.296156 -0.617007 -0.318855 -73.9829 -117.551 96.1159 # jumping subtree containing (T0187)E226 jump= 0.228828 -0.72855 -0.437299 0.474996 120.193 27.2083 208.848 # jumping subtree containing (T0187)E157 jump= -0.666445 0.606481 -0.114707 0.41818 -113.563 -85.5434 142.549 # jumping subtree containing (T0187)Q142 jump= -0.15932 -0.860758 -0.24522 -0.41663 -104.277 75.6604 198.7 # jumping subtree containing (T0187)L214 jump= 0.401962 0.507926 0.115697 0.753029 -125.317 50.5427 56.305 # jumping subtree containing (T0187)E226 jump= -0.992198 -0.0866513 0.0615564 0.0651554 6.20598 9.29658 -17.913 # jumping subtree containing (T0187)P91 jump= -1 9.37351e-05 0.00074794 2.44589e-05 -8.16076 -22.875 10.7105 # jumping subtree containing (T0187)S122 jump= -0.684954 -0.00632437 0.250721 -0.684059 9.26955 123.463 37.4297 # Removing break before 66 # generation 136: best score out of 40: T0187.try1-al10 71.7918 cost/residue, 376 clashes 0.0268119 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1150 ## CrossAndInsert 69 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2175 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S122 jump= 0.960033 -0.0221164 0.23383 -0.152219 -60.8347 -27.4038 -16.8513 # jumping subtree containing (T0187)E226 jump= 0.811572 -0.120314 0.155974 -0.550043 -77.8152 -9.51389 15.389 # jumping subtree containing (T0187)F178 jump= -0.413134 0.0272319 -0.897895 0.149546 -162.407 8.4421 161.485 # jumping subtree containing (T0187)E226 jump= -0.710678 -0.624728 -0.291133 -0.141043 -63.4872 121.679 129.945 # Removing break before 66 # jumping subtree containing (T0187)T209 jump= 0.0913156 -0.128491 0.249071 0.955571 27.6627 -32.7113 23.0084 # jumping subtree containing (T0187)S122 jump= -0.946414 -0.13204 -0.00186636 0.294726 -26.611 -8.60427 -4.89131 # jumping subtree containing (T0187)E157 jump= -0.711124 0.44821 -0.116734 0.528945 -117.09 -28.9383 80.6884 # jumping subtree containing (T0187)P91 jump= -0.980873 -0.0163884 -0.192499 0.0237474 -41.7192 9.92599 13.0879 # jumping subtree containing (T0187)E226 jump= -0.344828 0.225188 0.802919 -0.430936 92.081 94.6647 183.259 # jumping subtree containing (T0187)P91 jump= 0.524642 -0.276592 0.618505 -0.515459 -166.091 58.2037 115.441 # jumping subtree containing (T0187)E226 jump= -0.318622 0.196803 -0.732107 0.569007 -131.007 94.6634 136.671 # generation 137: best score out of 40: T0187.try1-al10 71.6676 cost/residue, 375 clashes 0.0372601 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1160 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2195 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E130 jump= 0.557336 0.616715 -0.523186 0.187926 56.625 118.053 196.531 # jumping subtree containing (T0187)E226 jump= 0.891732 -0.451928 -0.0213867 0.0108923 -3.96557 -106.672 59.7058 # jumping subtree containing (T0187)E226 jump= 0.879025 -0.0252804 0.11483 -0.46205 -52.6819 17.7729 -17.0574 # jumping subtree containing (T0187)Q142 jump= -0.408312 0.410912 0.814797 -0.0232034 10.4266 16.8592 234.46 # jumping subtree containing (T0187)S122 jump= -0.713706 0.0938574 0.566363 0.401306 34.5107 -88.0837 120.434 # jumping subtree containing (T0187)E226 jump= -0.694243 0.47198 -0.0168428 0.543119 -75.2704 -89.0375 71.9162 # jumping subtree containing (T0187)E157 jump= 0.707143 0.700371 0.096324 -0.0122839 -29.7227 164.739 88.9287 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E130 jump= -0.996094 -0.0705684 0.0398098 0.035097 13.5558 29.6389 22.2382 # jumping subtree containing (T0187)S200 jump= 0.597178 0.0517519 0.77815 0.187571 -172.362 -23.4528 166.185 # generation 138: best score out of 40: T0187.try1-al10 71.6676 cost/residue, 375 clashes 0.0372609 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1162 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2217 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S122 jump= -0.31419 0.386395 0.0480473 -0.865838 54.3173 43.6917 -4.56128 # jumping subtree containing (T0187)S122 jump= 0.167227 -0.02398 -0.900335 0.40107 -33.6756 138.883 255.965 # jumping subtree containing (T0187)P91 jump= -0.809401 0.0171647 -0.429422 -0.400215 -83.0501 -23.9904 31.252 # jumping subtree containing (T0187)A180 jump= 0.942115 0.123468 -0.295777 -0.0984443 50.1842 34.0909 51.6466 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)E157 jump= -0.985153 -0.0982338 -0.00887648 -0.140518 -3.2577 40.5451 -2.88799 # jumping subtree containing (T0187)S122 jump= -1 0.000504225 -0.000202015 0.000680096 -7.13433 2.94202 1.11549 # jumping subtree containing (T0187)E226 jump= -0.397943 -0.821293 0.406746 0.0409419 64.8439 86.406 231.874 # jumping subtree containing (T0187)E226 jump= -0.857481 0.469477 -0.155027 0.14242 -46.1428 -130.542 65.6449 # jumping subtree containing (T0187)E157 jump= 0.169594 -0.608276 0.105424 0.768195 116.48 13.2878 99.4422 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= -0.954506 0.216065 0.0866107 0.186367 25.8402 -54.2615 38.4311 # jumping subtree containing (T0187)P91 jump= 0.980735 -0.0700056 0.0155567 0.181703 -18.3592 -14.4399 -12.2699 # generation 139: best score out of 40: T0187.try1-al10 71.6675 cost/residue, 375 clashes 0.0372605 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1173 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2238 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R230 jump= -0.0607256 0.945891 0.0178014 0.318255 -95.0548 1.9092 256.716 # jumping subtree containing (T0187)A180 jump= 0.603539 -0.460033 -0.416885 0.500316 66.613 42.5447 102.897 # jumping subtree containing (T0187)S188 jump= -0.945249 -0.229925 0.230865 -0.0184672 68.1516 59.735 7.79845 # jumping subtree containing (T0187)E157 jump= 0.517808 -0.424819 -0.673068 -0.31366 -15.86 -96.6603 177.263 # jumping subtree containing (T0187)T209 jump= -0.980843 0.0128431 -0.0147797 0.193812 -27.591 5.23246 12.0346 # jumping subtree containing (T0187)S122 jump= 0.664339 -0.0212373 0.282019 0.691859 -78.1507 23.4721 -0.235123 # jumping subtree containing (T0187)S122 jump= -0.996065 0.0647224 -0.0541651 -0.0270512 -23.3451 -34.0385 -23.1184 # jumping subtree containing (T0187)R230 jump= -0.473717 -0.821931 0.0391726 0.313827 58.7113 115.724 178.781 # generation 140: best score out of 40: T0187.try1-al10 71.6675 cost/residue, 375 clashes 0.0372605 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1181 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2259 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.442035 0.479991 -0.00887494 0.757717 -90.5723 55.2688 57.4204 # jumping subtree containing (T0187)R230 jump= 0.999517 0.0166932 0.0134216 0.0225149 -4.1315 0.22135 -28.7485 # jumping subtree containing (T0187)E226 jump= -0.202633 0.910181 -0.251467 0.259375 -85.6612 -29.5547 241.544 # jumping subtree containing (T0187)K219 jump= 0.741614 0.593467 0.135528 0.281847 -86.1458 109.481 81.8316 # jumping subtree containing (T0187)R230 jump= -0.412556 0.459496 -0.607068 -0.500129 -31.0069 -139.653 149.77 # jumping subtree containing (T0187)R103 jump= 0.947918 0.0150337 0.0956024 0.303456 -40.7536 9.95691 -25.8497 # jumping subtree containing (T0187)R230 jump= 0.821095 0.143409 0.163829 0.527633 -81.2036 8.22763 16.9837 # jumping subtree containing (T0187)E157 jump= -0.946056 -0.263739 -0.121482 0.143746 -22.829 87.0746 4.57971 # jumping subtree containing (T0187)E130 jump= 0.993417 -0.0975611 0.0599307 -0.00348777 -38.3767 -23.2878 -15.5219 # jumping subtree containing (T0187)Q142 jump= 0.603723 -0.785143 -0.132123 -0.0401621 -13.6981 -76.3293 198.112 # generation 141: best score out of 40: T0187.try1-al10 71.6675 cost/residue, 375 clashes 0.0372605 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1190 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2281 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R230 jump= 0.260752 0.170708 0.641994 0.700508 -128.209 -81.4546 124.185 # jumping subtree containing (T0187)S122 jump= -0.120235 0.173973 -0.599208 0.772157 -127.116 139.619 138.218 # jumping subtree containing (T0187)R230 jump= -0.14059 0.416369 0.882662 0.166673 -27.8604 -46.7105 284.668 # jumping subtree containing (T0187)R230 jump= 0.3732 0.296396 0.766085 -0.431259 -73.9624 157.117 176.754 # jumping subtree containing (T0187)R230 jump= -0.139103 -0.877352 -0.399615 0.226302 13.9913 58.2755 236.372 # jumping subtree containing (T0187)R230 jump= -0.998822 -0.0197405 -0.00684277 0.0438004 -11.1183 2.87823 -7.55692 # jumping subtree containing (T0187)E157 jump= -0.438314 -0.791559 -0.346971 0.246832 -5.4914 149.908 176.576 # jumping subtree containing (T0187)R230 jump= 0.610363 -0.151223 -0.747223 -0.21505 107.83 -53.3782 193.759 # jumping subtree containing (T0187)R230 jump= 0.782239 0.164847 0.344568 0.492139 -92.9238 20.4041 29.6314 # jumping subtree containing (T0187)S200 jump= 0.916624 -0.36712 -0.145003 -0.0632218 0.839478 -81.0035 66.2074 # jumping subtree containing (T0187)R103 jump= -0.800729 -0.392253 -0.20134 0.405503 -22.3661 88.7538 23.9311 # generation 142: best score out of 40: T0187.try1-al10 71.6675 cost/residue, 375 clashes 0.0372605 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1201 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2294 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S122 jump= 0.913671 0.0446985 -0.399825 0.0578517 83.8868 47.5379 72.7269 # jumping subtree containing (T0187)E157 jump= -0.59408 -0.765323 0.247686 0.00135204 51.9394 127.136 145.535 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)A180 jump= -0.942365 -0.0941346 -0.285405 0.147074 -83.7593 0.461014 14.7422 # jumping subtree containing (T0187)R230 jump= -0.697001 -0.447918 0.0873196 0.553114 82.0777 71.7097 67.4462 # jumping subtree containing (T0187)Q142 jump= 0.902523 -0.020407 0.169394 0.3954 -31.3452 17.0624 -13.9245 # jumping subtree containing (T0187)R230 jump= 0.985168 0.105816 0.134109 -0.0161924 -33.4049 31.0159 -13.7633 # jumping subtree containing (T0187)R230 jump= -0.99945 -0.0140294 0.0227914 0.0195915 34.2978 -5.507 -2.94997 # jumping subtree containing (T0187)S122 jump= 0.994845 -0.081114 -0.0606678 -0.0047836 33.0913 -22.589 25.2519 # jumping subtree containing (T0187)T209 jump= -0.916765 0.244673 -0.0965666 0.300585 -59.576 -57.1257 30.3554 # jumping subtree containing (T0187)A180 jump= 0.364548 0.0507918 -0.381897 0.84775 -8.72347 137.727 62.7509 # Removing break before 66 # jumping subtree containing (T0187)R230 jump= 0.58536 -0.337806 -0.472148 0.565966 123.308 42.5838 114.83 # jumping subtree containing (T0187)R230 jump= 0.931097 0.267595 -0.0906709 0.230717 9.44029 79.5472 18.8225 # generation 143: best score out of 40: T0187.try1-al10 71.6675 cost/residue, 375 clashes 0.0372605 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1213 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2306 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R230 jump= -0.598507 -0.371739 0.381634 0.598293 98.5887 -7.61958 75.3017 # jumping subtree containing (T0187)Q142 jump= -0.944633 0.271266 -0.116518 0.143203 -52.1962 -38.7748 27.8574 # jumping subtree containing (T0187)S122 jump= -0.710973 0.368669 -0.298221 0.519293 -150.008 -77.3698 97.9827 # jumping subtree containing (T0187)R230 jump= 0.0167431 -0.513978 -0.23467 0.82491 101.538 56.4946 74.9549 # jumping subtree containing (T0187)R230 jump= 0.314559 -0.44031 0.705249 -0.458042 -143.29 57.1288 222.161 # jumping subtree containing (T0187)S122 jump= 0.844759 0.224696 0.0518001 0.482918 -66.8775 90.2215 -0.242373 # jumping subtree containing (T0187)T209 jump= -0.938841 -0.166608 -0.20734 0.2187 -58.6188 57.1328 22.14 # jumping subtree containing (T0187)Q142 jump= 0.29057 0.188949 0.420519 0.838469 -106.062 -25.9112 19.9927 # jumping subtree containing (T0187)R230 jump= 0.701325 0.686894 -0.19026 -0.0110171 60.8859 149.598 121.421 # jumping subtree containing (T0187)S200 jump= 0.998127 -0.0489587 0.0322694 0.0174614 2.7316 -17.5124 -9.48681 # jumping subtree containing (T0187)S122 jump= -0.997275 -0.0240529 0.0621775 -0.031578 28.3278 1.69482 15.742 # jumping subtree containing (T0187)P91 jump= -0.262214 0.171267 0.504519 -0.804594 35.6489 153.249 85.8899 # jumping subtree containing (T0187)S122 jump= -0.934236 -0.297617 -0.0666279 0.184901 -17.9723 51.4847 2.71745 # jumping subtree containing (T0187)R230 jump= 0.840171 -0.188343 0.24023 -0.448251 -98.7483 -45.3939 38.9907 # jumping subtree containing (T0187)R230 jump= 0.761521 0.0403172 0.329605 0.556615 -88.7738 -5.02452 2.46275 # jumping subtree containing (T0187)L120 jump= 0.997108 -0.0736838 0.0148443 -0.0112047 -24.7116 -16.6085 10.0569 # generation 144: best score out of 40: T0187.try1-al10 71.6675 cost/residue, 375 clashes 0.0372605 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1226 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2317 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S122 jump= 0.366204 0.51633 -0.684862 0.360917 -27.049 133.991 276.102 # jumping subtree containing (T0187)R230 jump= 0.763788 0.0410281 -0.308717 -0.565365 63.7709 -57.5795 18.1701 # jumping subtree containing (T0187)K219 jump= -0.998658 0.011034 -0.0495775 -0.0100808 -12.0531 3.08053 27.0409 # jumping subtree containing (T0187)S122 jump= 0.273247 -0.178852 -0.857687 0.39714 -13.9664 116.79 245.333 # jumping subtree containing (T0187)E157 jump= 0.754477 0.564406 0.305299 -0.137854 -62.0339 134.007 77.6369 # jumping subtree containing (T0187)A180 jump= 0.885952 -0.34048 0.289795 -0.123214 -55.9836 -82.9977 32.5051 # jumping subtree containing (T0187)R230 jump= -0.277302 0.867884 0.34692 -0.222549 58.4221 -47.2902 239.91 # jumping subtree containing (T0187)R230 jump= 0.717376 0.175822 -0.192069 0.646195 19.369 87.1647 11.0965 # jumping subtree containing (T0187)R230 jump= 0.985915 -0.143028 -0.0857055 0.0129822 14.8014 -24.4628 10.4374 # jumping subtree containing (T0187)E130 jump= -0.791945 0.0388277 0.107955 -0.599717 35.5049 51.1589 29.9954 # jumping subtree containing (T0187)T209 jump= -0.493137 -0.63966 0.585911 0.0660335 72.6668 86.6998 193.741 # Removing break moved up 3 to before 92 # Removing break moved up 3 to before 54 # generation 145: best score out of 40: T0187.try1-al10 71.6675 cost/residue, 375 clashes 0.0372605 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1240 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2327 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)R230 jump= 0.32661 0.173163 -0.801203 0.470546 8.19401 118.708 189.09 # jumping subtree containing (T0187)A180 jump= -0.0449486 -0.307597 0.897855 -0.311802 -100.546 51.0893 235.378 # jumping subtree containing (T0187)E130 jump= 0.894333 0.23101 0.30199 -0.235808 -100.637 66.132 21.6176 # jumping subtree containing (T0187)R230 jump= 0.279992 -0.75235 -0.32975 -0.496829 -96.496 -89.3296 188.72 # jumping subtree containing (T0187)R230 jump= 0.601743 0.318151 0.694005 0.234611 -166.942 7.12959 142.138 # jumping subtree containing (T0187)R230 jump= -0.729478 0.480506 -0.0934457 -0.477749 45.4797 -97.8276 88.5523 # jumping subtree containing (T0187)R230 jump= 0.9439 -0.131233 0.295467 0.0673066 -78.9512 -23.5178 3.10299 # jumping subtree containing (T0187)R103 jump= -0.957567 0.25921 0.0503301 -0.115509 19.3909 -40.5352 38.0407 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)E157 jump= -0.180722 0.890314 -0.390035 0.150178 -55.8463 17.5279 266.467 # generation 146: best score out of 40: T0187.try1-al10 71.6675 cost/residue, 375 clashes 0.0372605 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1257 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2334 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V197 jump= -0.754695 -0.530769 0.154649 0.353274 79.6378 91.3366 37.1944 # jumping subtree containing (T0187)Q142 jump= -0.0383133 0.795509 -0.583436 0.15906 -12.9088 59.9588 261.817 # jumping subtree containing (T0187)R230 jump= 0.970308 0.185772 -0.127546 -0.0878803 55.5766 60.238 16.9751 # jumping subtree containing (T0187)R103 jump= -0.77477 -0.303817 0.141073 -0.536214 -31.1904 150.639 55.9501 # jumping subtree containing (T0187)S122 jump= -0.559991 -0.375075 -0.0292255 0.738156 -15.7015 62.5353 15.1982 # jumping subtree containing (T0187)A180 jump= 0.0278064 -0.360138 -0.897013 0.254746 -72.5154 85.0714 216.166 # jumping subtree containing (T0187)Q142 jump= 0.98993 -0.0477419 0.0599974 -0.118997 -39.2493 -22.358 -10.2357 # jumping subtree containing (T0187)R230 jump= -0.915416 -0.238664 -0.109676 -0.304999 -33.4936 45.615 24.2501 # jumping subtree containing (T0187)S122 jump= -0.999983 8.3439e-05 0.00444471 0.00368396 2.03978 22.2562 -15.3751 # jumping subtree containing (T0187)R230 jump= -0.820475 0.489865 -0.027928 -0.293382 19.6767 -85.8285 59.0885 # jumping subtree containing (T0187)E130 jump= -0.760388 0.224341 -0.485187 -0.368883 -97.2345 -100.504 38.5445 # jumping subtree containing (T0187)S200 jump= -0.623519 0.0940161 0.467532 -0.619516 68.909 104.66 71.9916 # generation 147: best score out of 40: T0187.try1-al10 71.6675 cost/residue, 375 clashes 0.0372605 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1268 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2347 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T209 jump= -0.685692 0.025951 -0.598115 -0.414019 -109.67 -82.2183 95.072 # jumping subtree containing (T0187)V197 jump= -0.234005 -0.107719 -0.567782 -0.781832 -61.2186 -69.4878 75.2957 # jumping subtree containing (T0187)S122 jump= 0.600773 -0.769194 0.181425 0.120406 23.1312 -124.245 159.932 # jumping subtree containing (T0187)S122 jump= 0.734868 -0.375974 0.55101 0.122476 -139.844 -102.244 94.6136 # jumping subtree containing (T0187)S122 jump= 0.404659 -0.846356 0.0740299 0.338307 69.3505 -60.697 194.669 # jumping subtree containing (T0187)P91 jump= 0.945694 -0.273842 0.0945303 -0.147438 -67.0373 -67.2932 19.5194 # Removing break before 66 # jumping subtree containing (T0187)E157 jump= -0.634362 0.0286587 0.216437 -0.741565 66.5125 88.27 31.8155 # jumping subtree containing (T0187)T209 jump= 0.51815 0.0231555 0.554997 0.650356 -106.733 -79.1316 73.9393 # jumping subtree containing (T0187)A180 jump= -0.774808 -0.577583 -0.0935635 -0.239409 -48.0988 124.164 50.6912 # generation 148: best score out of 40: T0187.try1-al10 71.6675 cost/residue, 375 clashes 0.0372605 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1283 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2356 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S200 jump= -0.303057 -0.6723 0.316072 0.596881 125.642 6.24132 111.956 # jumping subtree containing (T0187)R230 jump= 0.873205 0.010757 0.0501133 -0.484651 -25.5378 -3.93136 -22.4771 # jumping subtree containing (T0187)V197 jump= 0.640543 -0.0350087 0.747222 -0.173606 -133.257 19.3384 159.35 # jumping subtree containing (T0187)R230 jump= 0.457814 -0.863071 -0.106802 -0.184685 -32.2428 -108.013 193.096 # jumping subtree containing (T0187)E130 jump= 0.60334 -0.210101 -0.393231 0.661217 61.6376 88.5824 69.2474 # jumping subtree containing (T0187)E130 jump= 0.939698 0.243521 0.0382172 -0.237075 12.5301 50.0244 -8.34788 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)S122 jump= 0.756033 -0.199274 0.523974 -0.337869 -164.985 -11.0639 94.8864 # jumping subtree containing (T0187)S122 jump= -0.474541 -0.527686 0.350291 0.611273 100.52 13.8452 96.3508 # jumping subtree containing (T0187)I141 jump= 0.985326 0.14318 0.0796074 -0.0479023 -30.7701 9.15386 -9.08185 # jumping subtree containing (T0187)S122 jump= 0.925248 0.0583242 -0.232815 0.293789 77.2124 51.6291 52.2273 # generation 149: best score out of 40: T0187.try1-al10 71.6675 cost/residue, 375 clashes 0.0372605 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1298 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2365 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R230 jump= -0.884336 -0.420026 0.189321 -0.0754076 63.1392 103.332 59.4504 # jumping subtree containing (T0187)R230 jump= -0.906915 -0.153671 0.163025 -0.356811 41.2807 75.7128 35.7541 # jumping subtree containing (T0187)V197 jump= -0.903521 -0.0615334 0.404117 -0.128658 109.327 20.9202 61.9405 # jumping subtree containing (T0187)R103 jump= 0.974838 -0.136693 -0.0535733 0.167738 1.43634 -36.1609 14.6213 # jumping subtree containing (T0187)E226 jump= -0.882879 -0.46454 -0.0352092 0.0590473 -20.8005 110.507 51.2663 # jumping subtree containing (T0187)S200 jump= -0.978864 0.203954 -0.00392343 -0.0145879 -5.17536 -57.1371 4.8708 # jumping subtree containing (T0187)R103 jump= 0.577342 -0.727825 0.362941 0.0722519 -44.3896 -131.244 205.962 # jumping subtree containing (T0187)E157 jump= -0.975407 0.148601 0.0165323 0.161944 -30.7096 -47.8227 31.7873 # jumping subtree containing (T0187)P91 jump= 0.381066 -0.680729 0.492554 0.385729 47.7609 -94.7728 180.529 # jumping subtree containing (T0187)Q142 jump= -0.906485 0.12888 -0.282312 0.286312 -79.4298 -17.9799 13.4677 # jumping subtree containing (T0187)R103 jump= -0.673645 -0.0310824 -0.646978 -0.355887 -173.972 -63.0584 98.7695 # jumping subtree containing (T0187)R230 jump= -0.811825 0.46868 0.171729 0.302966 -26.4754 -134.509 91.9221 # jumping subtree containing (T0187)S122 jump= 0.0899037 -0.468124 -0.814578 -0.330515 -112.726 -53.6521 263.361 # jumping subtree containing (T0187)R230 jump= -0.82829 0.100379 0.49511 0.242335 105.525 -40.8156 74.1774 # jumping subtree containing (T0187)V197 jump= -0.454352 -0.805993 0.353143 0.138668 95.8222 125.028 194 # jumping subtree containing (T0187)P91 jump= -0.673157 0.456723 -0.17933 -0.553267 39.4532 -57.4298 56.5208 # generation 150: best score out of 40: T0187.try1-al10 71.6675 cost/residue, 375 clashes 0.0372605 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1313 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2374 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.999836 -0.0126564 -0.00993314 0.00830736 20.7188 -11.6917 -21.5006 # jumping subtree containing (T0187)R230 jump= 0.621471 -0.0942127 0.776219 0.04881 -152.563 -38.9496 134.105 # jumping subtree containing (T0187)S122 jump= -0.753813 -0.223362 -0.607701 -0.112134 -153.418 30.0644 71.4823 # jumping subtree containing (T0187)R230 jump= -0.563073 -0.167244 -0.321909 -0.742531 -81.7093 -40.6065 34.6026 # Removing break before 66 # jumping subtree containing (T0187)E130 jump= 0.506145 0.793324 -0.181766 -0.285335 76.4081 81.0639 141.799 # jumping subtree containing (T0187)R230 jump= 0.919622 0.124029 -0.311683 0.204367 67.7129 41.424 22.3732 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)R230 jump= -0.0603338 0.256936 -0.851503 -0.453086 -25.6083 -111.734 225.007 # jumping subtree containing (T0187)E157 jump= 0.951149 0.115169 -0.272142 0.0893877 74.015 41.2034 15.2788 # jumping subtree containing (T0187)T209 jump= -0.984572 0.0991067 -0.0618215 0.130282 -30.0928 -12.7018 11.3279 # jumping subtree containing (T0187)S200 jump= 0.232526 -0.887278 0.241816 -0.316535 -74.5797 -1.8566 272.091 # jumping subtree containing (T0187)V197 jump= 0.0851987 0.678908 -0.103701 -0.721852 127.283 38.7965 124.89 # jumping subtree containing (T0187)P91 jump= -0.773406 -0.345375 -0.286507 -0.447743 -100.493 82.059 19.4152 # jumping subtree containing (T0187)E157 jump= -0.975162 -0.159751 -0.0694622 0.136801 -21.7233 64.7148 -21.6278 # generation 151: best score out of 40: T0187.try1-al10 71.6675 cost/residue, 375 clashes 0.0372605 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1328 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2383 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T209 jump= -0.226701 -0.692226 0.680496 0.0797232 53.1365 41.893 241.3 # jumping subtree containing (T0187)R230 jump= -0.850972 0.517686 -0.0214522 -0.0859452 17.3821 -109.044 101.522 # jumping subtree containing (T0187)T209 jump= -0.997767 -0.0500676 -0.0425392 -0.0120296 2.67325 5.38743 -9.43834 # jumping subtree containing (T0187)L120 jump= -0.840596 -0.0776601 -0.212231 -0.492266 -56.9019 23.1322 -27.4961 # jumping subtree containing (T0187)R230 jump= -0.858085 0.0273124 0.505092 -0.088463 101.442 10.9707 92.4876 # Removing break before 12 # jumping subtree containing (T0187)R230 jump= 0.857586 -0.221491 0.260383 -0.384302 -90.5646 -38.0492 39.496 # jumping subtree containing (T0187)I98 jump= 0.102099 -0.851011 -0.449384 0.251813 75.7224 58.5731 263.321 # jumping subtree containing (T0187)P91 jump= 0.0682187 0.706709 -0.348018 -0.612202 103.052 -24.4309 149.139 # jumping subtree containing (T0187)R230 jump= 0.226561 -0.173491 0.724776 -0.627113 -91.5899 107.328 186.402 # jumping subtree containing (T0187)T209 jump= 0.857725 0.504668 0.0930094 0.0310892 -23.5639 142.176 28.4869 # generation 152: best score out of 40: T0187.try1-al10 71.6675 cost/residue, 375 clashes 0.0372605 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1340 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2395 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= -0.0588345 0.947165 0.179451 -0.259258 70.5142 27.5737 236.553 # jumping subtree containing (T0187)E130 jump= -0.290032 0.271229 0.913288 -0.0906726 8.74188 19.8556 269.323 # jumping subtree containing (T0187)T209 jump= 0.29107 0.73788 -0.16455 0.586289 -83.8737 123.345 164.268 # Removing break before 66 # jumping subtree containing (T0187)R230 jump= 0.230823 0.0464325 0.947664 0.215632 -98.4917 -68.9978 227.579 # jumping subtree containing (T0187)R230 jump= -0.999376 -0.00365096 0.0294968 0.0190893 1.13085 -17.8598 23.3953 # jumping subtree containing (T0187)R230 jump= 0.961907 0.129083 0.20806 0.121589 -49.7814 37.9691 35.8347 # generation 153: best score out of 40: T0187.try1-al10 71.6671 cost/residue, 375 clashes 0.0372606 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1349 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2410 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R230 jump= -0.96417 -0.00272477 -0.259191 0.0564784 -54.9489 -17.3761 23.9874 # jumping subtree containing (T0187)R230 jump= -0.19701 -0.141759 -0.949495 -0.198873 -75.9393 -42.1217 227.836 # jumping subtree containing (T0187)R230 jump= -0.839951 -0.213838 0.0171132 0.49846 -5.10096 43.246 -10.7098 # jumping subtree containing (T0187)R230 jump= 0.656001 0.36254 -0.157944 0.642869 -51.781 130.041 56.5637 # jumping subtree containing (T0187)R230 jump= 0.384487 0.42251 0.742525 -0.34973 -52.6245 122.618 172.531 # jumping subtree containing (T0187)R230 jump= -0.382181 0.751623 0.505061 0.184157 -17.2582 -84.8833 246.199 # jumping subtree containing (T0187)R230 jump= -0.452516 -0.380904 -0.452768 0.667191 5.77848 157.078 77.6656 # jumping subtree containing (T0187)S122 jump= 0.384905 0.305584 0.864923 -0.101852 -168.763 78.8086 214.164 # jumping subtree containing (T0187)P91 jump= -0.953072 -0.122403 0.0426562 -0.273591 25.3261 51.5003 -10.0476 # jumping subtree containing (T0187)L120 jump= -0.965833 -0.0280118 0.183941 0.180408 45.1646 -18.9403 44.4418 # jumping subtree containing (T0187)A180 jump= -0.921558 0.212768 -0.263088 -0.190384 -63.0387 -40.7719 -6.41539 # jumping subtree containing (T0187)A180 jump= 0.995984 -0.069845 -0.0203181 0.0521939 -3.28039 10.2907 -9.70796 # jumping subtree containing (T0187)Q142 jump= 0.725939 -0.0526698 0.19714 -0.656792 -102.97 4.37095 -2.60699 # generation 154: best score out of 40: T0187.try1-al10 71.6671 cost/residue, 375 clashes 0.0372606 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1365 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2418 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R230 jump= 0.894525 0.343135 -0.117168 -0.261448 60.7161 83.5657 51.8522 # jumping subtree containing (T0187)R230 jump= -0.998237 0.0372959 -0.0233121 -0.0398473 -0.301563 -27.3989 10.4455 # jumping subtree containing (T0187)R230 jump= 0.784359 -0.488254 0.286645 0.253423 -50.6333 -112.043 94.5431 # jumping subtree containing (T0187)E130 jump= 0.525116 0.589717 0.377362 0.483822 -175.98 86.9776 100.945 # jumping subtree containing (T0187)Q142 jump= -0.373334 0.595168 -0.0413172 0.710415 -158.478 -29.8768 119.454 # jumping subtree containing (T0187)T209 jump= 0.640489 -0.531476 -0.10069 -0.545131 -73.8751 -72.925 95.1748 # jumping subtree containing (T0187)A180 jump= 0.249379 0.415976 -0.839305 -0.245644 26.3165 -47.0621 236.815 # generation 155: best score out of 40: T0187.try1-al10 71.6671 cost/residue, 375 clashes 0.037261 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1378 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2429 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)R230 jump= 0.896504 0.309883 0.220897 -0.226844 -37.5405 70.1105 28.3324 # jumping subtree containing (T0187)T209 jump= -0.698252 0.298919 -0.606858 -0.234127 -87.0244 -101.346 108.572 # jumping subtree containing (T0187)S122 jump= -0.409014 -0.804483 -0.367227 0.225075 -30.6793 166.022 180.762 # jumping subtree containing (T0187)V197 jump= -0.456966 -0.362976 -0.810218 -0.0545625 -124.366 65.1382 184.642 # generation 156: best score out of 40: T0187.try1-al10 71.6671 cost/residue, 375 clashes 0.037261 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1389 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2449 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= 0.135567 -0.0585864 0.739635 0.656605 -48.938 -119.193 124.202 # jumping subtree containing (T0187)R230 jump= 0.96549 -0.224976 0.108092 0.0743744 -17.668 -79.0384 9.80194 # jumping subtree containing (T0187)S200 jump= -0.887855 0.106443 0.143914 0.423877 -27.3535 -40.5602 11.135 # jumping subtree containing (T0187)S122 jump= 0.712637 0.665734 0.160638 0.152126 -42.2409 169.637 102.652 # jumping subtree containing (T0187)R230 jump= 0.410797 0.347271 -0.313548 0.782519 -57.7328 143.678 69.446 # jumping subtree containing (T0187)S122 jump= -0.223775 0.284442 0.931227 0.0428256 -29.0004 -3.52297 265.855 # jumping subtree containing (T0187)R230 jump= -0.975579 0.080758 0.0364456 -0.200985 -3.29116 -2.03852 8.9714 # jumping subtree containing (T0187)R230 jump= 0.630232 0.303226 -0.667415 -0.25577 105.746 -17.1992 160.499 # jumping subtree containing (T0187)E130 jump= 0.424365 -0.82876 0.363626 -0.0291132 -55.7837 -92.4391 252.44 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)V197 jump= -0.984149 -0.171462 -0.0448305 -0.00645843 4.10302 59.1944 -18.6 # generation 157: best score out of 40: T0187.try1-al10 71.6671 cost/residue, 375 clashes 0.0372602 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1403 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2465 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= 0.0949884 0.374639 0.259478 0.885039 -143.69 -11.2003 46.1035 # jumping subtree containing (T0187)R103 jump= 0.732736 0.415467 -0.397264 -0.364235 94.4651 24.3606 118.226 # Removing break moved up 3 to before 142 # jumping subtree containing (T0187)R230 jump= 0.786891 0.409067 -0.0297221 0.461067 -66.4186 112.422 42.8524 # jumping subtree containing (T0187)R230 jump= -0.037725 -0.091932 -0.488906 -0.866658 -46.751 -79.2031 75.9199 # jumping subtree containing (T0187)S122 jump= 0.983391 0.0601101 -0.159144 -0.0632589 41.3721 12.6216 3.86449 # Removing break moved up 3 to before 142 # jumping subtree containing (T0187)S122 jump= 0.89723 -0.0241091 0.4013 -0.182635 -125.407 -26.1788 16.5511 # jumping subtree containing (T0187)T209 jump= -0.814596 0.156464 -0.0604582 -0.555245 1.69354 -15.5639 5.61859 # generation 158: best score out of 40: T0187.try1-al10 71.6671 cost/residue, 375 clashes 0.0372602 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1416 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2481 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E157 jump= 0.999553 0.0161707 0.00144518 0.025115 16.4517 -2.24335 1.96222 # jumping subtree containing (T0187)R103 jump= -0.999007 -0.042628 -0.0101145 0.00813568 -20.4986 21.7667 -22.3383 # jumping subtree containing (T0187)R230 jump= 0.110997 0.75935 -0.625846 0.139223 -31.7558 56.6411 279.864 # jumping subtree containing (T0187)R103 jump= -0.867276 0.0667218 -0.383827 -0.309931 -109.236 -39.7704 33.008 # jumping subtree containing (T0187)T209 jump= -0.980579 -0.192536 0.0372932 -0.00214188 1.02268 63.1949 16.1088 # jumping subtree containing (T0187)Q142 jump= 0.790261 0.31153 0.0106527 0.527564 -34.5983 114.04 17.7805 # jumping subtree containing (T0187)Q142 jump= -0.186466 -0.337704 -0.832766 -0.397099 -128.092 -40.8992 178.879 # jumping subtree containing (T0187)S122 jump= -0.926439 -0.267933 0.11668 0.237295 22.881 26.9971 12.5934 # jumping subtree containing (T0187)S122 jump= 0.457042 0.65892 -0.033772 -0.596487 60.087 66.0456 85.7766 # jumping subtree containing (T0187)T209 jump= -0.509934 -0.128024 -0.211696 0.82387 -32.0824 99.641 20.6399 # jumping subtree containing (T0187)R230 jump= -0.925788 0.283889 -0.24348 -0.0551552 -58.0381 -82.7662 6.73832 # jumping subtree containing (T0187)T209 jump= 0.78847 0.609303 0.0729707 -0.0417017 -36.196 150.139 87.9889 # jumping subtree containing (T0187)V197 jump= 0.999891 -0.0139611 4.22314e-05 -0.00489204 -6.28713 12.1282 -17.9769 # jumping subtree containing (T0187)E157 jump= -0.930273 -0.182048 0.00363788 0.318491 -11.0698 18.0134 -13.4548 # generation 159: best score out of 40: T0187.try1-al10 71.667 cost/residue, 375 clashes 0.0372602 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1430 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2493 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R230 jump= -0.506455 -0.371468 0.168917 0.759593 64.9337 4.54917 33.217 # jumping subtree containing (T0187)Q142 jump= 0.344539 0.297307 0.588953 0.66786 -153.667 -3.24632 100.716 # jumping subtree containing (T0187)Q142 jump= 0.899573 -0.0606115 0.428715 0.0574225 -106.602 -23.3901 16.5409 # jumping subtree containing (T0187)P91 jump= -0.73451 0.527411 -0.411323 0.114654 -83.2033 -83.9397 118.991 # jumping subtree containing (T0187)V197 jump= 0.590752 -0.537608 0.193749 0.569605 41.2296 -60.4684 81.4598 # jumping subtree containing (T0187)R230 jump= -0.945035 -0.242551 0.1969 0.0964746 56.9235 47.8996 1.33412 # jumping subtree containing (T0187)S122 jump= -0.994867 -0.0699006 -0.000194042 -0.0731676 -3.07785 28.3355 9.21225 # jumping subtree containing (T0187)E157 jump= -0.638593 -0.411431 0.333987 -0.558011 3.06754 164.988 74.4078 # jumping subtree containing (T0187)S122 jump= -0.24004 0.0696857 -0.52134 -0.815922 -91.2966 -103.456 35.1101 # generation 160: best score out of 40: T0187.try1-al10 71.667 cost/residue, 375 clashes 0.0372602 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1439 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2509 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S122 jump= 0.970233 -0.11444 0.171372 0.12721 -58.4575 -5.24959 -6.0712 # jumping subtree containing (T0187)E226 jump= -0.839553 0.284063 -0.323301 0.331565 -95.5523 -35.1076 50.7715 # jumping subtree containing (T0187)R230 jump= 0.896432 0.0404199 -0.438694 -0.04819 128.365 -1.23446 66.9492 # jumping subtree containing (T0187)S122 jump= -0.954588 -0.0736485 0.218025 -0.189215 28.5973 47.0833 28.1909 # jumping subtree containing (T0187)R230 jump= -0.687288 -0.608461 -0.193861 0.346163 -16.7703 140.368 104.131 # jumping subtree containing (T0187)E226 jump= -0.712146 -0.372219 -0.0991935 0.586908 22.9581 67.7554 13.3095 # jumping subtree containing (T0187)E130 jump= -0.283027 0.156248 0.591525 0.738635 -63.6007 -110.433 81.8879 # jumping subtree containing (T0187)R230 jump= -0.999854 0.00838744 -0.00432673 -0.014231 -24.3175 -8.90558 -5.46658 # Removing break before 66 # jumping subtree containing (T0187)S122 jump= -0.465575 0.424871 0.724442 0.27912 -35.6984 -81.8879 247.2 # jumping subtree containing (T0187)R103 jump= -0.981194 -0.0183294 0.069679 0.179071 -1.76856 -10.5437 14.8082 # jumping subtree containing (T0187)V197 jump= -0.196984 -0.865787 0.459822 -0.0131601 52.1269 51.2439 243.34 # jumping subtree containing (T0187)A180 jump= -0.366016 0.0915181 0.283595 0.881607 -78.1856 -60.9948 44.5758 # generation 161: best score out of 40: T0187.try1-al10 71.667 cost/residue, 375 clashes 0.0372602 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1450 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2525 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S122 jump= -0.967345 0.125218 -0.167666 0.143011 -60.2923 -27.2745 -9.25568 # jumping subtree containing (T0187)S122 jump= -0.37651 -0.536073 0.264092 0.707899 78.5568 -4.81108 37.9095 # jumping subtree containing (T0187)R230 jump= -0.853496 0.314992 0.197931 -0.364894 85.9706 -42.1508 66.8513 # jumping subtree containing (T0187)R103 jump= 0.663798 -0.181018 -0.455391 0.564999 84.2576 99.1646 84.8347 # jumping subtree containing (T0187)R230 jump= 0.99984 -0.00858159 -0.0154467 0.00293832 -20.2733 9.56284 6.14672 # jumping subtree containing (T0187)S208 jump= -0.213446 0.101184 0.490865 0.838603 -36.3822 -80.8902 61.7259 # jumping subtree containing (T0187)P91 jump= 0.993197 0.0762334 -0.0699554 -0.0534299 0.331133 23.2424 9.0126 # jumping subtree containing (T0187)D196 jump= -0.46193 -0.469748 -0.273008 -0.701016 -120.883 41.8955 83.8215 # jumping subtree containing (T0187)R230 jump= 0.934788 -0.00103999 0.172276 0.310629 -18.919 5.49345 17.1282 # jumping subtree containing (T0187)R230 jump= -0.142382 0.904372 -0.40205 -0.0139606 -3.01575 -25.9117 284.256 # jumping subtree containing (T0187)A180 jump= 0.922073 -0.150738 0.341789 -0.101189 -114.936 -31.9108 -2.74992 # jumping subtree containing (T0187)S200 jump= -0.837952 -0.30069 -0.251626 -0.379612 -72.827 74.2428 46.6968 # jumping subtree containing (T0187)R230 jump= -0.999956 -0.00207271 -0.0036895 -0.00840256 -0.714442 -3.71407 9.00375 # jumping subtree containing (T0187)S122 jump= 0.966636 0.204727 -0.0122699 0.153464 -23.8751 88.391 13.0136 # generation 162: best score out of 40: T0187.try1-al10 71.667 cost/residue, 375 clashes 0.0372602 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1466 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2539 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R230 jump= -0.596531 -0.322096 0.482848 0.554313 125.846 -23.878 100.25 # jumping subtree containing (T0187)V197 jump= 0.465576 0.264119 0.664991 -0.520833 -88.6068 151.253 137.807 # jumping subtree containing (T0187)S200 jump= 0.449213 -0.474216 -0.544262 0.526408 104.16 45.974 163.913 # jumping subtree containing (T0187)E157 jump= 0.46889 0.209015 -0.429819 0.742772 24.4233 180.042 72.5159 # jumping subtree containing (T0187)T209 jump= 0.319602 0.385224 0.705924 0.501127 -161.489 -31.9546 162.553 # jumping subtree containing (T0187)E130 jump= -0.454471 -0.210559 0.68348 0.531014 25.9737 -89.6246 134.072 # generation 163: best score out of 40: T0187.try1-al10 71.667 cost/residue, 375 clashes 0.0372602 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1477 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2555 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E157 jump= -0.831492 0.478176 0.140095 -0.245647 76.8876 -47.5485 114.363 # jumping subtree containing (T0187)R230 jump= 0.46752 0.773202 0.262368 0.338744 -131.525 102.676 177.202 # jumping subtree containing (T0187)R230 jump= 0.199805 0.331709 0.127076 -0.913181 57.4144 52.9806 43.7758 # jumping subtree containing (T0187)R230 jump= -0.668481 -0.517747 -0.511462 0.153226 -109.886 121.435 138.153 # jumping subtree containing (T0187)A180 jump= -0.550549 -0.59559 -0.499936 -0.303697 -132.676 116.42 135.362 # jumping subtree containing (T0187)E130 jump= 0.162899 -0.92144 -0.273415 0.222836 61.5422 35.3969 254.069 # jumping subtree containing (T0187)R103 jump= 0.864551 0.143805 -0.232223 -0.421834 50.989 -19.4412 35.1456 # jumping subtree containing (T0187)R230 jump= -0.241279 -0.737361 0.338584 0.532394 109.899 8.96682 188.948 # jumping subtree containing (T0187)R230 jump= -0.0687413 0.338591 0.845617 0.406893 -70.1369 -76.6411 231.993 # generation 164: best score out of 40: T0187.try1-al10 71.667 cost/residue, 375 clashes 0.0372602 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1490 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2566 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)F178 jump= 0.999998 0.00118864 0.00068649 0.00145771 -10.3943 2.34341 27.6957 # jumping subtree containing (T0187)T209 jump= -0.689487 -0.478968 -0.120727 -0.529737 -60.4144 106.949 64.5225 # jumping subtree containing (T0187)P91 jump= 0.462559 0.25653 0.244482 0.812687 -86.6231 16.1397 47.6178 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)R230 jump= 0.974446 -0.178116 0.0689299 -0.118227 -33.3033 -76.1426 7.79406 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)R230 jump= -0.657403 -0.229985 -0.420461 -0.581498 -117.576 -12.6659 24.4986 # jumping subtree containing (T0187)R230 jump= -0.694755 -0.429473 -0.446975 -0.364804 -119.122 48.8081 72.1558 # generation 165: best score out of 40: T0187.try1-al10 71.667 cost/residue, 375 clashes 0.0372602 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1502 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2578 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V197 jump= -0.979751 0.0539752 -0.156588 0.112492 -51.0457 10.9759 21.6208 # jumping subtree containing (T0187)A180 jump= 0.998551 -0.0411606 0.0141723 0.0316334 15.3911 -1.9428 10.5055 # jumping subtree containing (T0187)R103 jump= 0.789513 -0.0422666 -0.385922 0.475338 75.0448 65.308 52.8902 # jumping subtree containing (T0187)R230 jump= 0.380226 0.617279 -0.272947 0.632373 -79.7663 120.408 161.397 # jumping subtree containing (T0187)E226 jump= -0.073553 0.301907 -0.380203 0.871142 -84.4095 96.5648 84.7843 # jumping subtree containing (T0187)R230 jump= -0.959293 0.235565 -0.134814 0.0780493 -56.1396 -61.3465 35.9475 # jumping subtree containing (T0187)R230 jump= -0.100516 0.712731 -0.554828 -0.417225 55.9008 -85.8493 195.916 # jumping subtree containing (T0187)R230 jump= -0.843935 0.168004 -0.35611 0.364326 -114.382 -15.3354 13.2851 # Removing break moved up 3 to before 54 # generation 166: best score out of 40: T0187.try1-al10 71.667 cost/residue, 375 clashes 0.0372602 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1515 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2589 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S225 jump= 0.195353 -0.415294 -0.69013 0.559544 79.329 106.991 154.103 # jumping subtree containing (T0187)R230 jump= 0.671672 0.110708 -0.71535 0.157717 112.023 65.2221 162.913 # jumping subtree containing (T0187)R103 jump= 0.46305 0.0324685 0.14712 0.873434 -96.9616 12.2379 -9.66091 # jumping subtree containing (T0187)R230 jump= 0.188957 0.888534 0.144749 0.392238 -108.861 67.8029 221.88 # generation 167: best score out of 40: T0187.try1-al10 71.667 cost/residue, 375 clashes 0.0372602 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 26 ## CrossOver 1531 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2597 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R230 jump= 0.590768 -0.716454 0.248927 0.275177 -5.39405 -126.628 150.612 # jumping subtree containing (T0187)R230 jump= -0.964315 -0.260201 0.0367374 -0.0322988 -4.60872 59.5707 15.9377 # jumping subtree containing (T0187)R230 jump= -0.625072 0.477611 -0.406783 0.464435 -161.293 -45.2869 124.676 # jumping subtree containing (T0187)R230 jump= -0.365755 -0.744827 -0.410477 0.378108 43.3578 135.419 190.713 # jumping subtree containing (T0187)R230 jump= 0.0481716 -0.468572 0.100507 0.876366 103.266 -19.9027 55.267 # jumping subtree containing (T0187)R230 jump= -0.492457 0.522188 -0.335562 -0.610085 28.0502 -127.583 82.2201 # jumping subtree containing (T0187)R230 jump= 0.606251 -0.462306 -0.0823288 -0.641837 -83.4199 -68.6186 81.4339 # jumping subtree containing (T0187)S122 jump= -0.950695 -0.0609774 -0.0500552 -0.299925 -15.0797 45.1949 -29.0895 # jumping subtree containing (T0187)A180 jump= -0.0945406 0.255344 -0.943281 0.189955 -98.7289 34.6968 224.089 # jumping subtree containing (T0187)Q142 jump= -0.726871 0.29444 0.592814 0.18313 21.0996 -67.3403 150.525 # generation 168: best score out of 40: T0187.try1-al10 71.6441 cost/residue, 368 clashes 0.0355409 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 130 ## TwoFragment 26 ## CrossOver 1546 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2605 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= 0.956566 -0.0858548 -0.272619 -0.0573604 53.8775 -6.67977 51.5669 # jumping subtree containing (T0187)S122 jump= 0.969967 0.0365092 0.0445205 0.236325 -27.063 23.5541 -16.0431 # jumping subtree containing (T0187)R230 jump= -0.997564 -0.0224344 0.0400041 -0.052567 13.4461 -11.6113 -4.95867 # jumping subtree containing (T0187)S200 jump= 0.979178 -0.109754 -0.127965 0.113095 28.1134 -20.2269 23.9956 # jumping subtree containing (T0187)R230 jump= -0.175043 0.334828 0.506821 -0.774843 83.0596 88.9078 111.99 # jumping subtree containing (T0187)E226 jump= -0.461037 -0.86976 -0.094373 -0.148514 -27.899 121.281 183.789 # jumping subtree containing (T0187)R230 jump= 0.98329 -0.0312957 0.0350352 -0.175879 -1.07099 0.0438595 -10.5945 # jumping subtree containing (T0187)R230 jump= 0.427339 0.650014 -0.616004 0.124108 32.6701 111.505 221.978 # jumping subtree containing (T0187)R230 jump= -0.999126 -0.0391691 0.0145689 -0.00071492 17.0706 32.5608 5.75427 # jumping subtree containing (T0187)R230 jump= -0.17061 0.855128 0.436521 0.221581 -34.8851 -26.1487 271.41 # generation 169: best score out of 40: T0187.try1-al10 71.6441 cost/residue, 368 clashes 0.0355409 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 130 ## TwoFragment 26 ## CrossOver 1555 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2620 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E157 jump= -0.0131019 0.64132 0.715123 -0.277735 -6.03509 100.182 222.219 # jumping subtree containing (T0187)S122 jump= -0.208106 -0.324331 0.845941 -0.368627 -34.7845 102.948 263.197 # jumping subtree containing (T0187)R230 jump= 0.509282 0.355209 -0.377209 -0.687147 90.6075 -7.66064 46.0074 # jumping subtree containing (T0187)Q234 jump= 0.998155 0.0295741 -0.0334326 0.0411624 7.98542 -1.11913 -11.7198 # jumping subtree containing (T0187)R230 jump= 0.715723 -0.0702858 0.430737 -0.545222 -106.175 32.7586 60.45 # jumping subtree containing (T0187)R230 jump= 0.964948 0.193829 0.174366 0.0300417 -25.2129 64.7305 9.02709 # jumping subtree containing (T0187)S122 jump= -0.782895 -0.146135 0.532153 -0.287287 71.3641 75.009 128.138 # jumping subtree containing (T0187)R103 jump= 0.999995 0.0026352 0.00131699 -0.000594688 5.24599 -9.30234 -12.2173 # jumping subtree containing (T0187)T209 jump= -0.932789 -0.134812 0.0067181 0.334193 -3.06717 35.2637 -21.9109 # jumping subtree containing (T0187)R103 jump= 0.654524 0.547234 -0.518903 -0.0536038 70.7807 89.0129 165.463 # jumping subtree containing (T0187)R230 jump= -0.843513 -0.257041 0.0689246 0.466546 15.8842 33.2327 29.8741 # jumping subtree containing (T0187)Q142 jump= -0.800388 -0.0587334 -0.596592 0.00294028 -158.426 13.4746 67.191 # generation 170: best score out of 40: T0187.try1-al10 71.6441 cost/residue, 368 clashes 0.0355409 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 130 ## TwoFragment 26 ## CrossOver 1564 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2638 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R230 jump= -0.316068 0.126505 0.00406964 0.940256 -45.715 9.12584 9.15227 # jumping subtree containing (T0187)R230 jump= -0.278627 0.265884 -0.910371 0.151318 -124.248 15.2216 244.951 # jumping subtree containing (T0187)E130 jump= -0.578819 -0.250505 -0.760795 0.152992 -201.904 87.8467 148.226 # jumping subtree containing (T0187)I141 jump= 0.830259 -0.109829 -0.0988487 0.537435 25.246 54.8786 6.98134 # jumping subtree containing (T0187)E156 jump= -0.299653 0.770362 -0.431248 0.361629 -92.7979 28.663 228.794 # jumping subtree containing (T0187)V197 jump= -0.475362 0.855995 -0.0105859 0.202959 -42.3584 -63.208 239.246 # jumping subtree containing (T0187)R230 jump= 0.0344256 0.638567 -0.195247 0.74359 -139.07 54.4979 141.617 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)V197 jump= -0.202967 0.467976 0.770637 0.381997 -46.0781 -59.5033 217.313 # jumping subtree containing (T0187)R230 jump= 0.938789 0.177514 0.285898 -0.0736633 -50.4043 49.8557 32.8433 # generation 171: best score out of 40: T0187.try1-al10 71.6441 cost/residue, 368 clashes 0.0355409 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 130 ## TwoFragment 26 ## CrossOver 1581 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2645 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R230 jump= 0.361483 -0.0716295 -0.885396 -0.283325 64.0941 -83.6113 215.79 # jumping subtree containing (T0187)R230 jump= -0.983496 0.180785 0.00721281 0.000875041 12.5981 -66.3793 14.0273 # jumping subtree containing (T0187)R230 jump= -0.977835 0.114115 -0.146623 0.0965281 -57.1306 -35.7213 -6.53717 # jumping subtree containing (T0187)R230 jump= 0.016426 0.461526 0.601193 0.652143 -121.956 -80.3253 136.548 # jumping subtree containing (T0187)Q142 jump= -0.156156 -0.328134 -0.931097 -0.0316426 -98.0834 33.8215 251.605 # Removing break moved up 3 to before 142 # jumping subtree containing (T0187)Q142 jump= -0.778699 -0.571272 0.129747 0.224593 33.4519 122.654 71.4739 # jumping subtree containing (T0187)S200 jump= 0.99643 -0.0425636 0.0212385 -0.0697492 -12.7691 -32.0822 18.8937 # generation 172: best score out of 40: T0187.try1-al10 71.6441 cost/residue, 368 clashes 0.0355409 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 130 ## TwoFragment 26 ## CrossOver 1595 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2655 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= 0.454447 -0.62534 0.566128 0.286228 -27.8559 -80.2901 167.574 # jumping subtree containing (T0187)V197 jump= 0.989209 0.0323869 0.131618 -0.0556181 -46.3386 1.19865 4.08395 # jumping subtree containing (T0187)R230 jump= -0.996177 -0.0645853 -0.05433 -0.0225416 -9.57291 0.0375481 20.9571 # jumping subtree containing (T0187)A180 jump= -0.863804 -0.157993 0.38759 0.280453 74.0354 8.20859 56.3367 # jumping subtree containing (T0187)T209 jump= 0.9877 0.00689933 -0.0682266 -0.14052 8.53975 -2.95363 -13.3913 # jumping subtree containing (T0187)S122 jump= -0.999944 0.00816957 0.000301692 0.0066929 -16.9097 11.3962 -5.25188 # jumping subtree containing (T0187)P91 jump= -0.690784 -0.259313 0.0735565 0.670942 19.3714 39.4955 18.4503 # jumping subtree containing (T0187)R230 jump= 0.972838 0.119879 -0.130227 -0.149184 53.3457 19.3288 -11.9307 # jumping subtree containing (T0187)Q142 jump= -0.172554 -0.456399 0.315227 0.813976 80.8463 19.2008 26.8018 # jumping subtree containing (T0187)E130 jump= -0.929829 0.187037 -0.172074 -0.266132 -16.6583 -19.0554 22.4414 # jumping subtree containing (T0187)A180 jump= 0.619569 0.743099 0.046293 0.248586 -26.6517 159.726 134.017 # jumping subtree containing (T0187)V197 jump= 0.317068 0.00868702 -0.684141 0.656768 58.6885 163.591 135.982 # jumping subtree containing (T0187)R230 jump= -0.447441 0.207339 0.853169 -0.17003 101.645 26.4534 221.188 # jumping subtree containing (T0187)P91 jump= -0.617038 -0.477608 0.610523 -0.135706 66.6092 82.021 162.934 # Removing break moved up 3 to before 54 # generation 173: best score out of 40: T0187.try1-al10 71.6441 cost/residue, 368 clashes 0.0355409 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 130 ## TwoFragment 26 ## CrossOver 1610 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2664 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V197 jump= 0.594165 0.50791 -0.262011 -0.56599 106.5 38.567 60.3675 # jumping subtree containing (T0187)E130 jump= 0.55028 -0.746848 0.00633567 -0.373322 -110.386 -76.0432 203.112 # jumping subtree containing (T0187)E157 jump= 0.475368 -0.610506 0.547553 -0.31858 -120.89 -29.8933 197.217 # jumping subtree containing (T0187)S122 jump= -0.993264 -0.0100554 -0.10467 0.0486837 -6.60552 12.3874 -3.68804 # jumping subtree containing (T0187)R230 jump= 0.83359 0.405487 0.104915 -0.36014 11.6909 116.181 37.8877 # jumping subtree containing (T0187)V197 jump= 0.993011 0.0282826 0.0662971 -0.0934529 -21.9395 20.845 24.6531 # jumping subtree containing (T0187)Q142 jump= -0.869114 0.0768099 0.0837217 0.481385 -23.7511 -27.7555 30.3333 # jumping subtree containing (T0187)L217 jump= 0.147323 0.166193 0.358257 0.906823 -38.8944 -67.539 31.3871 # Removing break moved up 3 to before 142 # jumping subtree containing (T0187)P91 jump= 0.238447 0.0219969 -0.261246 0.935099 -20.6026 105.452 30.9785 # jumping subtree containing (T0187)K99 jump= -0.958344 0.0200204 -0.22549 0.174153 -92.3177 8.60419 -14.5991 # generation 174: best score out of 40: T0187.try1-al10 71.6441 cost/residue, 368 clashes 0.0355409 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 130 ## TwoFragment 26 ## CrossOver 1624 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2674 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q234 jump= 0.505077 -0.683499 0.043963 0.52516 95.753 -77.9672 136.994 # jumping subtree containing (T0187)R230 jump= -0.993203 0.0208772 0.0652213 -0.094115 11.3727 -12.1687 9.35556 # jumping subtree containing (T0187)R230 jump= -0.780049 -0.369171 0.362757 0.351629 118.201 33.2285 88.5767 # jumping subtree containing (T0187)P91 jump= -0.816829 -0.245456 0.452648 -0.260098 107.773 103.642 85.505 # jumping subtree containing (T0187)R230 jump= 0.786438 0.218938 -0.0791513 0.572116 -10.7294 94.0468 30.8236 # jumping subtree containing (T0187)E157 jump= 0.708094 -0.246175 -0.546118 -0.373839 12.6403 -95.3447 98.3177 # jumping subtree containing (T0187)R103 jump= 0.935469 0.351078 -0.0223296 -0.033825 1.18122 76.1578 7.09869 # jumping subtree containing (T0187)E130 jump= 0.999952 -0.00434991 0.00610451 0.00629587 1.65697 10.168 -16.3468 # jumping subtree containing (T0187)T209 jump= -0.0101133 -0.850438 0.337619 0.403318 78.8734 1.02796 230.049 # jumping subtree containing (T0187)R103 jump= -0.882425 0.0523418 -0.236756 0.403153 -110.973 -0.861977 19.2603 # jumping subtree containing (T0187)S122 jump= -0.892827 0.240974 0.375119 0.0638545 98.3389 -58.6116 91.3347 # jumping subtree containing (T0187)P91 jump= 0.4269 -0.0724966 0.66231 0.611429 -80.3197 -77.915 89.4615 # jumping subtree containing (T0187)R230 jump= 0.870748 0.371115 -0.0521739 -0.318354 12.1244 85.8967 23.9975 # jumping subtree containing (T0187)R230 jump= 0.903456 0.0876765 0.0728534 -0.413245 -39.8367 28.0887 -5.45101 # generation 175: best score out of 40: T0187.try1-al10 71.6441 cost/residue, 368 clashes 0.0355409 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 130 ## TwoFragment 26 ## CrossOver 1637 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2685 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= 0.763327 -0.268015 0.440527 0.389148 -103.765 -96.2254 59.0239 # jumping subtree containing (T0187)Q142 jump= 0.76595 0.294276 0.319867 -0.473716 -102.398 106.146 30.8456 # jumping subtree containing (T0187)R230 jump= -0.56576 -0.168679 0.0667564 -0.804368 -15.6355 54.9911 0.0312996 # jumping subtree containing (T0187)S122 jump= 0.773874 -0.329098 -0.339428 -0.421429 2.96358 -140.929 113.596 # jumping subtree containing (T0187)R230 jump= 0.871198 0.148809 -0.451114 0.123959 70.4336 53.8795 77.4799 # jumping subtree containing (T0187)R230 jump= -0.327077 0.833791 -0.359907 0.261306 -83.583 -39.1295 225.833 # jumping subtree containing (T0187)V197 jump= 0.341789 0.602707 -0.0342848 0.720243 -139.014 100.051 100.066 # jumping subtree containing (T0187)A180 jump= -0.91805 -0.375441 -0.00945277 0.127035 0.27556 84.8727 21.0843 # jumping subtree containing (T0187)E130 jump= 0.916399 -0.335535 0.0996487 0.194163 -19.7622 -64.8684 29.573 # generation 176: best score out of 40: T0187.try1-al10 71.6441 cost/residue, 368 clashes 0.0355409 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 130 ## TwoFragment 26 ## CrossOver 1655 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2691 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V197 jump= -0.561464 -0.5063 0.650613 0.0715626 109.02 82.5586 161.252 # jumping subtree containing (T0187)E130 jump= -0.675567 0.274849 0.405459 -0.551063 97.8188 52.139 113.855 # jumping subtree containing (T0187)P91 jump= -0.365499 0.205699 -0.595295 0.685362 -137.257 107.383 98.3912 # jumping subtree containing (T0187)Q142 jump= 0.907727 0.258253 -0.327962 0.0421654 66.5524 67.2678 68.1701 # jumping subtree containing (T0187)R230 jump= -0.707846 -0.5536 0.424597 0.110448 82.482 82.1261 120.847 # jumping subtree containing (T0187)S122 jump= 0.684122 0.209855 -0.594042 -0.367493 89.222 -58.7858 115.234 # generation 177: best score out of 40: T0187.try1-al10 71.6177 cost/residue, 367 clashes 0.0467337 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1672 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2697 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.601328 0.176895 -0.367624 -0.686997 -28.6193 -63.6006 35.5823 # jumping subtree containing (T0187)R230 jump= 0.652294 -0.332679 -0.631885 -0.254084 86.2807 -101.334 175.997 # jumping subtree containing (T0187)S200 jump= 0.678365 -0.292337 -0.160337 -0.654715 -59.265 -54.8003 32.7188 # Removing break moved up 3 to before 142 # jumping subtree containing (T0187)R230 jump= -0.0169709 0.759618 0.153272 0.631823 -166.845 -9.98289 177.41 # jumping subtree containing (T0187)R230 jump= 0.115319 0.461746 0.237301 0.846865 -133.971 -6.54483 75.3567 # jumping subtree containing (T0187)Q142 jump= 0.386216 0.131264 -0.27608 0.87028 -15.0208 124.088 45.2251 # jumping subtree containing (T0187)N159 jump= 0.499941 0.0501494 0.86307 0.0515107 -154.223 15.9617 156.489 # jumping subtree containing (T0187)E157 jump= 0.664612 0.106502 -0.419891 0.608802 62.6903 114.893 77.1177 # jumping subtree containing (T0187)E226 jump= 0.408092 0.0506067 -0.602179 0.684311 49.9898 151.116 99.3754 # jumping subtree containing (T0187)S122 jump= -0.0775124 -0.142204 -0.856734 0.489669 -122.095 142.764 213.9 # jumping subtree containing (T0187)R230 jump= 0.626828 -0.568873 -0.152628 -0.510073 -71.6791 -101.362 112.02 # jumping subtree containing (T0187)S200 jump= -0.617346 0.130522 -0.255735 0.732426 -99.9723 41.0723 31.2475 # jumping subtree containing (T0187)T209 jump= 0.589331 -0.719704 0.301092 -0.209904 -97.6926 -87.3295 213.321 # jumping subtree containing (T0187)R230 jump= 0.417053 0.826622 0.362324 -0.107167 -37.7761 124.299 194.665 # generation 178: best score out of 40: T0187.try1-al10 71.6177 cost/residue, 367 clashes 0.0467337 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1684 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 164 ## OptSubtree 2709 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= -0.798043 -0.0861333 -0.0321525 0.595545 -40.0346 6.77893 -11.9433 # jumping subtree containing (T0187)P91 jump= -0.601781 0.0678115 -0.00931324 0.795722 -42.1083 -11.3826 9.69463 # jumping subtree containing (T0187)Q142 jump= 0.788672 -0.486743 -0.375407 0.0121404 47.6756 -77.3409 125.264 # jumping subtree containing (T0187)T209 jump= 0.559215 0.753805 -0.277973 -0.204421 88.3432 114.856 156.665 # jumping subtree containing (T0187)E226 jump= 0.826618 0.0343892 -0.0994974 0.55283 33.6498 46 16.6002 # Removing break moved up 3 to before 142 # jumping subtree containing (T0187)P91 jump= 0.856858 -0.471748 -0.0151076 -0.207413 -35.6017 -127.923 74.6531 # jumping subtree containing (T0187)E157 jump= -0.0229486 -0.817734 -0.052284 -0.572757 -127.881 45.1509 195.148 # jumping subtree containing (T0187)S122 jump= -0.0784514 0.968396 0.115958 0.206418 -73.5803 17.6608 288.345 # jumping subtree containing (T0187)R103 jump= -0.621981 0.16036 -0.763215 0.0702012 -201.886 -18.6408 167.366 # jumping subtree containing (T0187)P91 jump= -0.0510572 0.930379 -0.259465 -0.253902 56.9168 -20.5208 253.066 # generation 179: best score out of 40: T0187.try1-al10 71.6177 cost/residue, 367 clashes 0.0467331 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1698 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2726 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)R230 jump= 0.00937534 0.488469 -0.435926 -0.755829 85.3315 -52.9526 107.859 # jumping subtree containing (T0187)S122 jump= -0.938344 0.097568 0.0769692 -0.322592 19.5902 20.8187 -12.7021 # jumping subtree containing (T0187)P91 jump= 0.376897 0.268809 -0.853069 0.240756 41.1771 99.8498 231.142 # jumping subtree containing (T0187)E130 jump= 0.974772 -0.0978513 0.065915 0.189473 -1.3977 3.7697 11.4747 # jumping subtree containing (T0187)Q142 jump= -0.913974 0.0879613 0.386351 -0.0874458 71.8276 13.8537 85.4003 # jumping subtree containing (T0187)E223 jump= 0.369054 0.410426 -0.824548 -0.124381 79.7703 27.2813 231.599 # jumping subtree containing (T0187)E157 jump= -0.79327 -0.189611 0.311642 0.487493 32.8174 -4.14262 36.072 # jumping subtree containing (T0187)K215 jump= -0.614323 0.500208 0.0666792 0.606591 -100.361 -75.7623 107.015 # jumping subtree containing (T0187)R103 jump= -0.843332 0.492175 -0.071229 0.203668 -72.8207 -112.259 69.576 # jumping subtree containing (T0187)R103 jump= -0.515585 -0.223958 0.730604 -0.387599 63.2663 138.021 192.399 # jumping subtree containing (T0187)E130 jump= -0.882808 -0.20985 0.325257 -0.266121 55.9013 111.316 89.23 # generation 180: best score out of 40: T0187.try1-al10 71.6176 cost/residue, 367 clashes 0.0467336 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1710 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2738 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= -0.996581 0.0646491 0.0232089 -0.04591 -3.13775 -16.1665 5.70927 # jumping subtree containing (T0187)E130 jump= -0.362414 -0.390967 0.648529 0.543334 62.015 -90.8385 131.88 # jumping subtree containing (T0187)E223 jump= 0.119206 0.389272 0.0234545 -0.913076 77.535 11.5025 47.9798 # jumping subtree containing (T0187)R230 jump= 0.456405 -0.148279 -0.828759 0.287864 69.719 69.4481 201.202 # jumping subtree containing (T0187)R230 jump= 0.917031 -0.218807 -0.0819571 -0.323204 8.74577 -77.8837 0.478508 # jumping subtree containing (T0187)R230 jump= 0.96349 0.246214 0.0865049 0.059864 -31.3233 95.5342 6.29057 # jumping subtree containing (T0187)T209 jump= -0.995063 0.0181824 0.0156783 0.0962975 -0.0852575 -28.9327 -1.11164 # jumping subtree containing (T0187)Q142 jump= 0.401332 0.514984 -0.68079 0.332037 16.9812 98.8589 212.724 # jumping subtree containing (T0187)R230 jump= -0.561014 -0.600596 0.249549 0.512127 110.657 62.1991 97.7719 # Removing break moved up 3 to before 142 # jumping subtree containing (T0187)Q142 jump= 0.554091 0.393794 0.71867 -0.146368 -139.837 131.139 123.361 # Removing break moved up 3 to before 142 # jumping subtree containing (T0187)S122 jump= 0.996215 0.0238542 0.0100145 0.082987 -12.981 10.2928 -13.8739 # generation 181: best score out of 40: T0187.try1-al10 71.6176 cost/residue, 367 clashes 0.0467336 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1733 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2748 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R230 jump= 0.974884 0.178427 -0.0881069 0.100012 18.6493 39.3415 -9.06382 # jumping subtree containing (T0187)S122 jump= -0.947873 0.193996 0.219945 0.12461 45.8961 -56.7435 41.5172 # jumping subtree containing (T0187)R230 jump= 0.178178 0.719358 0.137556 0.657157 -174.849 36.3003 164.904 # jumping subtree containing (T0187)T209 jump= -0.733042 0.250743 -0.618275 0.132339 -122.229 -35.8622 113.56 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)Q142 jump= -0.890081 -0.20919 -0.280715 0.291882 -70.6649 58.2635 30.3837 # jumping subtree containing (T0187)S122 jump= 0.965297 -0.0452308 -0.0427635 -0.253627 -15.6435 -53.0036 2.69503 # jumping subtree containing (T0187)V197 jump= -0.625474 -0.404207 0.459235 0.484254 100.642 -5.42585 98.4617 # jumping subtree containing (T0187)E130 jump= 0.140516 -0.269489 0.186626 0.934239 -21.26 -15.8046 -15.3192 # jumping subtree containing (T0187)R103 jump= 0.150736 -0.576576 0.747563 -0.293237 -91.8632 12.5546 275.703 # jumping subtree containing (T0187)Q142 jump= -0.322074 0.371755 -0.361991 -0.791852 37.1348 -63.7612 38.9204 # generation 182: best score out of 40: T0187.try1-al10 71.6176 cost/residue, 367 clashes 0.0467331 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1746 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2761 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T209 jump= -0.872449 0.00686173 0.487628 0.0316797 84.5386 -12.3505 88.5546 # jumping subtree containing (T0187)S122 jump= -0.8093 0.136574 0.454646 0.345945 43.4972 -113.691 117.208 # jumping subtree containing (T0187)E130 jump= 0.999722 -0.0179263 -0.00854746 0.012698 -3.40525 5.66707 28.9343 # jumping subtree containing (T0187)R230 jump= -0.338953 -0.353874 -0.805765 0.332606 -72.7571 105.004 208.88 # jumping subtree containing (T0187)I141 jump= -0.378376 0.779175 -0.206726 -0.454954 75.282 -47.5208 132.429 # jumping subtree containing (T0187)T209 jump= -0.876883 0.242761 -0.353565 -0.217107 -82.0879 -69.3393 47.0684 # jumping subtree containing (T0187)R230 jump= 0.999989 0.000236752 0.00385116 0.00260203 -2.45325 0.593361 7.93143 # jumping subtree containing (T0187)V197 jump= -0.994152 0.0524559 -0.0392974 -0.0858262 -26.1703 7.51449 0.266469 # jumping subtree containing (T0187)R230 jump= 0.934604 0.166278 -0.282927 -0.137184 97.2999 12.8768 27.134 # jumping subtree containing (T0187)E130 jump= -0.968202 0.20599 -0.138832 -0.0296444 -18.3177 -65.4846 14.6447 # jumping subtree containing (T0187)T209 jump= 0.766139 0.0865342 0.200016 -0.604596 -70.0113 57.8431 12.4197 # jumping subtree containing (T0187)R103 jump= 0.755965 -0.0386096 -0.199369 -0.622317 -10.7701 -44.4854 39.4374 # generation 183: best score out of 40: T0187.try1-al10 71.6176 cost/residue, 367 clashes 0.0467333 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1754 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2778 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E157 jump= -0.788201 -0.562901 0.244986 -0.0431703 36.9742 121.562 95.8405 # jumping subtree containing (T0187)R230 jump= 0.83101 -0.183085 -0.443961 -0.280714 75.3911 -96.9871 63.8268 # jumping subtree containing (T0187)R230 jump= 0.24368 -0.70229 -0.267048 0.613265 134.738 12.2512 149.75 # jumping subtree containing (T0187)P91 jump= -0.756225 0.619051 0.211656 0.01005 31.5542 -126.222 123.954 # jumping subtree containing (T0187)A180 jump= 0.671831 0.559918 0.474541 -0.0997301 -76.501 152.325 94.0664 # jumping subtree containing (T0187)R230 jump= -0.96998 -0.0123841 -0.0696929 0.232657 -44.8661 10.1673 13.1062 # jumping subtree containing (T0187)E130 jump= -0.0473156 0.941117 0.307807 -0.131582 25.9031 69.4503 260.869 # generation 184: best score out of 40: T0187.try1-al10 71.6176 cost/residue, 367 clashes 0.0467334 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1766 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2794 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= 0.795691 0.152797 -0.545994 -0.213119 95.4947 -18.0912 100.522 # jumping subtree containing (T0187)R103 jump= -0.992639 0.00778226 0.119856 0.0155624 36.4074 11.6173 4.6637 # jumping subtree containing (T0187)P91 jump= 0.949889 -0.231451 0.11982 -0.172582 -56.5838 -70.9298 33.3611 # jumping subtree containing (T0187)R103 jump= 0.925493 0.0660328 -0.310939 0.205957 63.4785 44.025 46.3277 # jumping subtree containing (T0187)T209 jump= -0.831567 0.415127 -0.346513 -0.126862 -47.3647 -100.768 92.5457 # generation 185: best score out of 40: T0187.try1-al10 71.6176 cost/residue, 367 clashes 0.0467334 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1778 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2809 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R230 jump= 0.193367 0.0337439 -0.500433 0.84323 3.38388 153.245 64.1231 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 142 # jumping subtree containing (T0187)E130 jump= 0.928347 0.0556248 0.243593 0.275208 -78.9378 16.246 8.27909 # jumping subtree containing (T0187)R230 jump= 0.998404 0.0211625 0.0151027 0.0501331 -4.89257 22.5682 -24.8371 # jumping subtree containing (T0187)R230 jump= 0.575622 -0.250343 0.40739 -0.66334 -147.62 21.2918 43.4876 # jumping subtree containing (T0187)T209 jump= -0.647855 0.54636 0.285659 -0.447408 112.898 -45.2079 121.14 # jumping subtree containing (T0187)T209 jump= -0.368524 -0.172077 -0.67549 0.615055 -73.348 151.469 124.343 # jumping subtree containing (T0187)Q142 jump= 0.0872161 0.971342 0.116647 -0.187832 36.8367 125.77 234.013 # jumping subtree containing (T0187)R103 jump= -0.961464 0.227033 0.154965 -0.00527932 45.7444 -56.6471 52.8929 # jumping subtree containing (T0187)E130 jump= 0.77193 0.336798 -0.289336 0.454946 5.93697 146.667 69.4599 # jumping subtree containing (T0187)R103 jump= 0.950986 -0.0584234 -0.173395 0.249291 34.2444 -3.61872 35.8806 # jumping subtree containing (T0187)T97 jump= 0.0144231 -0.276105 0.395644 0.875799 37.2311 -72.5469 57.0355 # jumping subtree containing (T0187)R230 jump= 0.986538 -0.101319 0.0965871 -0.0845459 -13.566 -10.563 6.09782 # generation 186: best score out of 40: T0187.try1-al10 71.6176 cost/residue, 367 clashes 0.0467334 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1790 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2821 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= 0.875104 -0.445571 0.0882011 -0.166976 -53.1046 -74.9784 94.515 # jumping subtree containing (T0187)R230 jump= 0.848321 0.366769 -0.381867 0.00299411 83.7492 74.6513 59.5956 # jumping subtree containing (T0187)R103 jump= 0.971431 0.0666671 0.152597 -0.169089 -29.4184 -4.56688 -10.2751 # generation 187: best score out of 40: T0187.try1-al10 71.6176 cost/residue, 367 clashes 0.0467334 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1801 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2834 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 12 # jumping subtree containing (T0187)R230 jump= 0.14342 0.959683 0.239507 0.0327838 -19.8442 71.5441 246.423 # jumping subtree containing (T0187)Q234 jump= 0.982091 0.0358826 -0.137229 0.124005 37.1533 11.4729 12.8211 # jumping subtree containing (T0187)T209 jump= 0.675589 -0.0727667 -0.72435 0.116626 111.757 15.1535 164.36 # jumping subtree containing (T0187)E130 jump= 0.382699 -0.0637312 0.879767 0.274755 -164.709 -68.2403 176.074 # jumping subtree containing (T0187)Q142 jump= 0.790405 -0.4298 0.203782 -0.386013 -131.532 -77.5685 82.7524 # jumping subtree containing (T0187)R230 jump= -0.0994171 0.492376 0.864264 -0.0270174 -18.2095 -10.2229 278.534 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)R230 jump= -0.986726 -0.120461 0.0923086 0.057795 -2.83461 36.3344 9.63719 # jumping subtree containing (T0187)R230 jump= -0.892701 -0.0440282 -0.413894 -0.172735 -102.549 -30.0665 32.5911 # generation 188: best score out of 40: T0187.try1-al10 71.6175 cost/residue, 367 clashes 0.0467332 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1815 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2844 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V197 jump= -0.724203 -0.688044 -0.0103443 0.0449177 24.7048 158.455 104.286 # jumping subtree containing (T0187)R103 jump= 0.89979 -0.279118 -0.201557 0.26804 52.1239 -22.0366 57.3728 # jumping subtree containing (T0187)R230 jump= 0.975754 0.185386 -0.0204974 -0.114527 -10.6419 36.1517 0.540444 # jumping subtree containing (T0187)E130 jump= -0.61181 0.185748 0.411843 -0.649285 66.303 123.359 72.4806 # jumping subtree containing (T0187)R230 jump= -0.575798 0.613469 -0.513066 0.169929 -92.5335 -90.7071 168.423 # jumping subtree containing (T0187)Q142 jump= -0.952983 0.221521 -0.108899 0.175764 -64.9651 -63.0005 18.1088 # jumping subtree containing (T0187)R230 jump= -0.0465033 0.0080831 0.807508 -0.587965 -5.34514 132.102 163.986 # jumping subtree containing (T0187)E130 jump= 0.658166 0.391614 0.472018 -0.43664 -88.1634 137.233 78.2202 # Removing break moved up 3 to before 92 # jumping subtree containing (T0187)I98 jump= 0.437063 -0.233109 -0.745475 -0.445986 -9.23783 -102.247 178.201 # jumping subtree containing (T0187)E157 jump= 0.576494 -0.803376 0.145201 -0.0340367 -0.459679 -91.7548 196.999 # generation 189: best score out of 40: T0187.try1-al10 71.6175 cost/residue, 367 clashes 0.0467332 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1828 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2855 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R230 jump= 0.371782 -0.923937 -0.0414388 -0.0800033 -7.26913 -103.72 252.565 # jumping subtree containing (T0187)E157 jump= -0.114309 -0.423429 -0.898292 -0.026692 -91.3031 54.2127 259.371 # jumping subtree containing (T0187)R103 jump= 0.983 0.100906 -0.144238 0.0521922 31.3301 30.7542 33.5733 # jumping subtree containing (T0187)R230 jump= 0.85249 -0.293094 0.370533 0.223746 -61.6957 -78.9011 75.8302 # jumping subtree containing (T0187)Q142 jump= -0.151704 -0.395358 0.0910125 -0.90133 -118.31 113.141 69.6379 # jumping subtree containing (T0187)E130 jump= 0.668749 -0.418782 0.481361 0.381691 -46.0052 -119.83 88.249 # jumping subtree containing (T0187)P91 jump= -0.372861 0.195576 0.223636 -0.87904 28.6841 66.3139 27.9604 # jumping subtree containing (T0187)R103 jump= 0.7333 0.473912 -0.462978 0.152746 62.6472 121.397 159.932 # jumping subtree containing (T0187)E226 jump= 0.832438 0.0849139 0.140441 0.529257 -28.703 33.2482 9.27204 # jumping subtree containing (T0187)A231 jump= 0.697411 0.464691 0.0536741 -0.542955 30.7655 99.0422 38.518 # jumping subtree containing (T0187)R230 jump= -0.941288 -0.118505 -0.316068 0.00580658 -71.5983 25.9988 26.5023 # generation 190: best score out of 40: T0187.try1-al10 71.6174 cost/residue, 367 clashes 0.0467334 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1842 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2869 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= -0.449128 -0.788433 0.419112 0.0316774 59.2375 134.176 183.969 # jumping subtree containing (T0187)R230 jump= -0.101565 -0.457101 0.882445 -0.0451032 18.8982 1.41367 257.96 # jumping subtree containing (T0187)E157 jump= 0.739937 0.112383 -0.631359 -0.203099 88.5178 -28.7245 100.937 # jumping subtree containing (T0187)R230 jump= 0.0551592 0.610782 0.708444 0.349298 -108.549 -51.244 237.907 # jumping subtree containing (T0187)L191 jump= -0.524684 -0.0399363 -0.266953 -0.807371 -31.3696 8.8812 7.06726 # jumping subtree containing (T0187)T209 jump= 0.583934 0.401328 0.310648 -0.633605 -10.2461 127.799 77.8226 # jumping subtree containing (T0187)R103 jump= -0.980216 -0.113415 0.0932791 0.132712 39.8464 22.5275 16.3324 # jumping subtree containing (T0187)T209 jump= -0.805331 -0.558923 0.0859731 -0.177921 -7.70011 159.611 81.6622 # jumping subtree containing (T0187)R230 jump= -0.835815 0.36887 -0.298899 -0.275693 -56.384 -82.396 62.1787 # jumping subtree containing (T0187)R230 jump= -0.216883 -0.769452 -0.393294 -0.454121 -121.901 9.66544 225.321 # jumping subtree containing (T0187)Q142 jump= 0.561467 -0.293765 0.219884 -0.741693 -137.143 27.4788 84.7888 # jumping subtree containing (T0187)R230 jump= 0.848181 0.490602 -0.0949609 -0.17573 35.3798 96.1115 39.0496 # generation 191: best score out of 40: T0187.try1-al10 71.6174 cost/residue, 367 clashes 0.0467334 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1850 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2885 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S122 jump= -0.678421 0.239213 -0.673264 -0.170991 -126.78 -80.4866 89.3072 # jumping subtree containing (T0187)R230 jump= -0.706122 -0.164251 0.670032 0.159593 121.919 -30.5045 136.308 # jumping subtree containing (T0187)S122 jump= -0.815351 0.575755 -0.0493839 -0.0356503 -15.0916 -122.659 98.9842 # jumping subtree containing (T0187)K219 jump= 0.410983 0.145675 0.895055 -0.0935337 -118.409 19.6789 235.786 # jumping subtree containing (T0187)E226 jump= -0.82507 -0.354129 -0.338552 -0.281486 -86.4265 56.8024 44.1982 # jumping subtree containing (T0187)R230 jump= 0.309716 -0.600289 0.322532 0.663101 77.083 -109.485 101.632 # jumping subtree containing (T0187)Q142 jump= -0.520226 -0.203235 -0.115224 0.821452 -28.7697 80.3239 2.38769 # jumping subtree containing (T0187)S122 jump= -0.583924 0.620846 -0.184472 0.489442 -167.84 -73.4475 143.443 # jumping subtree containing (T0187)R103 jump= 0.80243 -0.525723 -0.171949 -0.223953 -0.615561 -116.839 134.948 # jumping subtree containing (T0187)A180 jump= -0.883441 -0.377831 0.180868 -0.209909 38.7057 120.193 54.8965 # Removing break moved up 3 to before 142 # jumping subtree containing (T0187)E157 jump= 0.496492 0.750799 -0.358746 0.24718 19.3925 171.674 189.565 # jumping subtree containing (T0187)R230 jump= -0.147664 -0.580853 0.0833809 0.796149 127.713 31.7597 70.8682 # Removing break moved up 3 to before 142 # jumping subtree containing (T0187)R230 jump= 0.888678 0.21619 -0.340344 -0.218354 99.786 33.4385 47.0909 # generation 192: best score out of 40: T0187.try1-al10 71.6174 cost/residue, 367 clashes 0.0467332 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1859 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2900 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.190557 -0.22758 -0.925686 0.234522 -83.6107 100.123 232.464 # jumping subtree containing (T0187)P91 jump= -0.306711 -0.653126 0.65585 0.221846 106.967 6.82906 199.453 # jumping subtree containing (T0187)S122 jump= -0.0517878 -0.123335 0.335367 0.932542 -25.6555 -74.4983 16.9054 # jumping subtree containing (T0187)S122 jump= -0.934128 0.332505 -0.0386709 0.123892 -9.39612 -101.513 42.098 # Removing break before 66 # jumping subtree containing (T0187)E140 jump= -0.131176 0.489756 -0.115291 -0.85419 48.1583 30.2944 18.56 # jumping subtree containing (T0187)T209 jump= 0.759792 0.0598053 0.539873 -0.357318 -132.293 73.4281 103.018 # jumping subtree containing (T0187)R230 jump= -0.855022 -0.21759 -0.469503 -0.0340527 -105.02 33.873 46.1728 # jumping subtree containing (T0187)E226 jump= -0.776689 -0.27884 -0.486876 -0.286277 -143.478 42.313 95.0889 # jumping subtree containing (T0187)R230 jump= -0.877324 0.0505498 -0.231755 -0.417178 -27.8941 -21.2964 22.59 # jumping subtree containing (T0187)E157 jump= 0.59739 0.0147561 -0.158846 0.785923 44.9668 100.322 19.345 # jumping subtree containing (T0187)R230 jump= 0.913752 0.165793 -0.366882 0.0544754 111.643 31.2765 56.3759 # jumping subtree containing (T0187)R230 jump= 0.470654 -0.169805 -0.847182 -0.1787 58.9448 -69.8695 195.354 # jumping subtree containing (T0187)S122 jump= 0.794049 0.450134 -0.00028042 -0.408492 41.0924 95.3232 33.3939 # generation 193: best score out of 40: T0187.try1-al10 71.6174 cost/residue, 367 clashes 0.0467332 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1870 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2913 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V197 jump= 0.823708 0.0457775 0.508028 0.247624 -107.017 -19.7816 70.8596 # jumping subtree containing (T0187)E157 jump= 0.823103 -0.458275 0.202508 -0.26735 -83.1091 -69.6827 99.1769 # jumping subtree containing (T0187)R230 jump= 0.122026 0.117855 0.773167 0.611091 -69.094 -115.751 170.35 # jumping subtree containing (T0187)R230 jump= 0.776315 -0.20348 -0.489216 0.341465 112.085 30.6197 79.4962 # jumping subtree containing (T0187)E140 jump= -0.961035 0.0259453 0.219068 0.166575 29.643 -10.5232 11.2567 # jumping subtree containing (T0187)Q142 jump= 0.994722 -0.00718976 0.0969088 0.0329499 -42.536 -15.6419 -3.16833 # jumping subtree containing (T0187)A180 jump= 0.957242 -0.165982 -0.235984 -0.0211786 40.2836 -64.2899 39.0128 # jumping subtree containing (T0187)V197 jump= 0.184595 0.752322 0.327912 0.54075 -155.698 30.3755 172.128 # jumping subtree containing (T0187)V197 jump= 0.881512 0.44127 -0.158991 0.0542082 15.6234 110.566 34.397 # jumping subtree containing (T0187)V228 jump= 0.97882 0.00999633 0.0351516 -0.201433 -1.10828 -0.481711 0.345031 # jumping subtree containing (T0187)R230 jump= -0.380626 -0.388661 0.396572 0.739457 87.5407 -45.5211 65.376 # jumping subtree containing (T0187)P91 jump= 0.0736507 0.849727 0.282005 0.439333 -133.154 18.9007 223.934 # jumping subtree containing (T0187)R230 jump= 0.856059 0.221172 0.466735 -0.0201231 -131.216 73.0707 73.6697 # jumping subtree containing (T0187)P237 jump= -0.829225 0.0542145 -0.547604 -0.0978553 -140.416 -34.9744 78.686 # jumping subtree containing (T0187)R230 jump= 0.496983 0.45688 -0.73672 -0.0388874 91.4278 54.1416 221.267 # generation 194: best score out of 40: T0187.try1-al10 71.6174 cost/residue, 367 clashes 0.0467332 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1879 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2928 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= 0.732833 -0.00373894 0.679693 -0.0309756 -179.662 -3.11202 90.4949 # jumping subtree containing (T0187)E226 jump= 0.849002 -0.110096 0.516767 0.00522367 -140.668 -23.8767 61.2458 # jumping subtree containing (T0187)R230 jump= -0.794976 -0.411817 -0.240102 -0.375194 -109.295 92.9203 36.1088 # jumping subtree containing (T0187)E130 jump= 0.878116 0.220448 -0.344595 -0.248132 56.5108 13.1072 74.1909 # jumping subtree containing (T0187)S225 jump= -0.987965 0.119968 0.0930894 -0.0294428 12.3844 -52.9589 -4.96554 # jumping subtree containing (T0187)Q142 jump= -0.956316 -0.178246 0.231563 -0.00819843 32.7738 42.7797 20.2987 # jumping subtree containing (T0187)V197 jump= -0.319173 -0.706052 -0.371607 -0.511397 -151.214 42.5852 133.391 # generation 195: best score out of 40: T0187.try1-al10 71.6174 cost/residue, 367 clashes 0.0467335 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1885 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2946 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V197 jump= 0.0457891 0.196777 -0.964819 0.168246 -5.42243 50.3774 269.272 # Removing break before 66 # jumping subtree containing (T0187)L133 jump= -0.991149 -0.00271648 0.103514 -0.0830721 9.12628 -4.68082 19.1815 # jumping subtree containing (T0187)R103 jump= -0.671501 -0.686756 -0.126853 -0.247711 -62.9219 164.217 146.815 # jumping subtree containing (T0187)Q142 jump= -0.986624 -0.157075 -0.0161685 -0.0404875 -15.7722 60.2001 -19.1622 # jumping subtree containing (T0187)R230 jump= -0.850638 0.15677 0.109767 -0.489683 37.946 -8.45054 2.77295 # jumping subtree containing (T0187)R230 jump= 0.680461 0.428457 0.0768749 0.589481 -94.9454 81.359 27.0323 # jumping subtree containing (T0187)R103 jump= 0.603427 0.154642 0.207007 -0.754394 -76.5859 81.0523 12.5772 # jumping subtree containing (T0187)V197 jump= 0.817178 -0.550065 -0.0773045 0.15386 56.3265 -117.462 100.563 # generation 196: best score out of 40: T0187.try1-al10 71.6174 cost/residue, 367 clashes 0.0467335 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1897 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2958 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T209 jump= 0.999913 -0.00912711 0.00956721 -0.000272413 -0.713135 -8.24203 -0.780974 # generation 197: best score out of 40: T0187.try1-al10 71.6174 cost/residue, 367 clashes 0.0467335 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1910 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2969 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R230 jump= 0.547942 -0.0639185 0.187727 0.81267 -44.4581 -49.4944 -4.33699 # jumping subtree containing (T0187)R103 jump= -0.704366 -0.258788 0.537953 -0.384063 63.063 120.873 121.329 # jumping subtree containing (T0187)F129 jump= 0.919777 0.29663 0.0256567 0.255662 -7.56335 102.506 13.9975 # jumping subtree containing (T0187)R230 jump= 0.101654 0.217427 -0.90675 0.346693 -24.5588 99.2246 270.817 # jumping subtree containing (T0187)E157 jump= 0.588295 0.669562 0.375379 -0.254336 -51.5538 159.197 117.798 # jumping subtree containing (T0187)R103 jump= 0.0536322 0.661409 0.119535 -0.738494 87.8643 87.9037 108.388 # jumping subtree containing (T0187)E157 jump= -0.857298 0.0112224 -0.514096 -0.0248928 -121.594 -4.05656 66.1059 # jumping subtree containing (T0187)R230 jump= -0.222457 0.170419 0.159556 -0.946579 32.3431 42.8267 4.80619 # generation 198: best score out of 40: T0187.try1-al10 71.6174 cost/residue, 367 clashes 0.0467335 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1923 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2980 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= 0.0324551 -0.57522 0.816572 -0.0357506 -24.2969 -3.15479 264.61 # jumping subtree containing (T0187)R103 jump= 0.997445 0.0585073 0.0381202 0.0151002 -5.62628 28.12 -5.68878 # jumping subtree containing (T0187)R103 jump= -0.975265 0.0146672 0.191747 -0.108977 66.7796 -17.2411 19.5415 # jumping subtree containing (T0187)Q142 jump= 0.562924 -0.0540044 -0.816672 0.1151 68.7929 18.0577 206.859 # jumping subtree containing (T0187)L118 jump= 0.246564 -0.769842 0.490869 -0.324958 -103.132 -5.54851 259.346 # jumping subtree containing (T0187)R230 jump= 0.219348 0.736017 0.0632469 0.637312 -152.555 73.1917 141.687 # jumping subtree containing (T0187)P202 jump= -0.476402 0.228225 0.368612 -0.764905 87.0932 95.2419 59.7304 # jumping subtree containing (T0187)V197 jump= -0.367073 0.288602 0.178818 0.86602 -74.6886 -45.7219 34.0004 # jumping subtree containing (T0187)R230 jump= 0.429172 0.0659862 0.563888 0.702487 -102.427 -57.06 72.3373 # jumping subtree containing (T0187)S127 jump= 0.853841 0.156874 -0.178979 -0.462939 52.0738 -10.3344 29.9108 # generation 199: best score out of 40: T0187.try1-al10 71.6174 cost/residue, 367 clashes 0.0467335 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1943 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2984 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R230 jump= 0.634768 0.0356677 0.260103 -0.726735 -49.318 57.4267 42.0445 # jumping subtree containing (T0187)R230 jump= 0.99932 0.0247194 0.0146094 0.0231481 21.0839 1.07215 -15.9634 # jumping subtree containing (T0187)E157 jump= -0.246403 0.737618 -0.266881 0.569192 -119.348 46.488 211.832 # jumping subtree containing (T0187)R103 jump= 0.887384 0.117979 0.345979 0.280943 -106.307 48.3431 2.25551 # jumping subtree containing (T0187)E223 jump= -0.530608 -0.669395 0.149661 0.497963 102.634 63.5109 116.065 # jumping subtree containing (T0187)T209 jump= -0.99855 0.05302 0.00488028 0.00794663 23.902 -10.6358 14.4957 # jumping subtree containing (T0187)Q142 jump= -0.494172 0.533423 0.0844871 0.681261 -142.993 -39.55 128.65 # jumping subtree containing (T0187)P91 jump= 0.621623 0.713022 0.313696 0.0823298 -65.4133 167.169 144.135 # jumping subtree containing (T0187)V186 jump= -0.854489 -0.419008 -0.302564 0.0523003 -88.7552 109.839 43.4184 # jumping subtree containing (T0187)R230 jump= 0.918769 0.020061 0.381578 -0.0992963 -89.4421 14.1895 42.2498 # jumping subtree containing (T0187)Q142 jump= -0.833416 0.17281 -0.0925619 0.516707 -102.892 -24.0289 28.3436 # generation 200: best score out of 40: T0187.try1-al10 71.6174 cost/residue, 367 clashes 0.0467335 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 52 ## InsertFragment 131 ## TwoFragment 26 ## CrossOver 1959 ## CrossAndInsert 69 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 166 ## OptSubtree 2992 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1355667308.pdb -s /projects/compbio/tmp/to_scwrl_1355667308.seq -o /projects/compbio/tmp/from_scwrl_1355667308.pdb -a /projects/compbio/tmp/from_scwrl_1355667308_a.pdb -b /projects/compbio/tmp/from_scwrl_1355667308_b.pdb > /projects/compbio/tmp/scwrl_1355667308.log # T0187.try1-al10-scwrl 71.2205 cost/residue 221 clashes 0.0467337 breaks # iteration 1 # filling pool to have 40 conformations # best score in initial pool out of 40: T0187.try1-al8+1i5nA-T0187-local-adpstyle1.pw.a2m.gz:1i5nA at pool[9] 82.2789 cost/residue, 374 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-al8+1i5nA-T0187-local-adpstyle1.pw.a2m.gz:1i5nA 80.8712 cost/residue, 274 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 4 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0187.try1-al4 78.6284 cost/residue, 268 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 14 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 15 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0187.try1-al4 78.6284 cost/residue, 268 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 22 ## TwoFragment 13 ## CrossOver 1 ## CrossAndInsert 23 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0187.try1-al4 78.0971 cost/residue, 254 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 25 ## InsertFragment 32 ## TwoFragment 14 ## CrossOver 1 ## CrossAndInsert 26 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0187.try1-al4 76.8623 cost/residue, 257 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 27 ## InsertFragment 44 ## TwoFragment 16 ## CrossOver 1 ## CrossAndInsert 33 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0187.try1-al4 76.2328 cost/residue, 273 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 31 ## InsertFragment 51 ## TwoFragment 18 ## CrossOver 1 ## CrossAndInsert 42 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0187.try1-al4 75.984 cost/residue, 281 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 35 ## InsertFragment 61 ## TwoFragment 18 ## CrossOver 1 ## CrossAndInsert 49 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 48 # generation 8: best score out of 40: T0187.try1-al4 75.5779 cost/residue, 319 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 68 ## TwoFragment 20 ## CrossOver 1 ## CrossAndInsert 54 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S122 jump= 0.66647 0.35052 -0.655828 0.0533225 -28.4121 -10.9121 -38.8959 # jumping subtree containing (T0187)K181 jump= 0.0940472 0.474158 -0.123063 -0.866709 -6.33432 23.7914 -22.0394 # generation 9: best score out of 40: T0187.try1-al4 75.5779 cost/residue, 319 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 42 ## InsertFragment 75 ## TwoFragment 21 ## CrossOver 2 ## CrossAndInsert 56 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 83 # jumping subtree containing (T0187)T236 jump= 0.364943 -0.444444 -0.396577 0.71555 16.4458 28.897 37.3164 # Removing break before 83 # generation 10: best score out of 40: T0187.try1-al4 75.407 cost/residue, 253 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 83 ## TwoFragment 21 ## CrossOver 2 ## CrossAndInsert 59 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L165 jump= -0.580995 -0.150871 -0.454401 -0.658181 8.54638 8.05218 16.7118 # generation 11: best score out of 40: T0187.try1-al4 74.8258 cost/residue, 289 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 91 ## TwoFragment 21 ## CrossOver 4 ## CrossAndInsert 64 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 145 # generation 12: best score out of 40: T0187.try1-al4 74.3671 cost/residue, 261 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 98 ## TwoFragment 21 ## CrossOver 6 ## CrossAndInsert 69 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 1 ## OptSubtree 21 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0187.try1-al4 74.3149 cost/residue, 261 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 103 ## TwoFragment 23 ## CrossOver 7 ## CrossAndInsert 76 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 1 ## OptSubtree 26 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0187.try1-al4 74.1815 cost/residue, 294 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 107 ## TwoFragment 23 ## CrossOver 7 ## CrossAndInsert 82 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 2 ## OptSubtree 32 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0187.try1-al4 74.1815 cost/residue, 294 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 117 ## TwoFragment 23 ## CrossOver 10 ## CrossAndInsert 84 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 3 ## OptSubtree 37 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 120 # jumping subtree containing (T0187)F129 jump= 0.870244 -0.090673 0.336379 -0.348286 20.7637 -11.7006 5.32394 # jumping subtree containing (T0187)E211 jump= 0.985341 -0.0400346 -0.145862 0.0788988 -4.30334 6.66663 -24.0037 # jumping subtree containing (T0187)A231 jump= -0.430227 -0.0566994 -0.345852 -0.831911 12.233 -15.5058 23.8476 # Removing break before 67 # Removing break before 102 # generation 16: best score out of 40: T0187.try1-al4 73.8991 cost/residue, 234 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 120 ## TwoFragment 23 ## CrossOver 14 ## CrossAndInsert 84 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 4 ## OptSubtree 48 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.983281 0.156183 0.0801736 -0.0483478 -12.2016 17.6611 -3.24425 # jumping subtree containing (T0187)W204 jump= -0.996666 -0.0284032 0.0421293 0.0638319 24.665 -5.26742 -5.45416 # Removing break before 65 # jumping subtree containing (T0187)L185 jump= 0.950145 -0.176691 0.0977242 -0.237603 -32.8995 2.63413 -2.59692 # generation 17: best score out of 40: T0187.try1-al4 73.8634 cost/residue, 294 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 124 ## TwoFragment 23 ## CrossOver 15 ## CrossAndInsert 88 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 4 ## OptSubtree 64 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # generation 18: best score out of 40: T0187.try1-al4 73.4223 cost/residue, 296 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 127 ## TwoFragment 23 ## CrossOver 18 ## CrossAndInsert 90 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 5 ## OptSubtree 77 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 87 # Removing break before 71 # generation 19: best score out of 40: T0187.try1-al4 73.3487 cost/residue, 301 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 130 ## TwoFragment 23 ## CrossOver 19 ## CrossAndInsert 92 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 8 ## OptSubtree 89 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 55 # jumping subtree containing (T0187)N96 jump= -0.88242 -0.0881476 -0.306686 -0.345701 -15.2925 0.0212421 10.0788 # jumping subtree containing (T0187)K143 jump= 0.391884 -0.146407 0.317634 -0.850941 -52.6808 -35.1845 -4.88514 # generation 20: best score out of 40: T0187.try1-al4 73.2316 cost/residue, 285 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 131 ## TwoFragment 23 ## CrossOver 21 ## CrossAndInsert 94 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 8 ## OptSubtree 105 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S166 jump= -0.131748 -0.0152934 -0.744458 0.654363 3.18049 10.455 8.09365 # Removing break before 55 # Removing break before 55 # jumping subtree containing (T0187)P179 jump= 0.125411 0.171343 0.97603 -0.0477342 -31.6494 11.5322 -38.2489 # jumping subtree containing (T0187)A180 jump= -0.323765 -0.21596 -0.684916 0.615977 -16.4672 -21.869 -2.08543 # jumping subtree containing (T0187)L128 jump= 0.999711 -0.00962561 0.02165 -0.00418361 -17.5362 -7.67162 -10.6976 # Removing break before 85 # jumping subtree containing (T0187)P91 jump= 0.936108 0.164683 0.0119364 0.310548 -14.8459 -6.34883 17.2158 # generation 21: best score out of 40: T0187.try1-al4 72.9176 cost/residue, 309 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 134 ## TwoFragment 23 ## CrossOver 22 ## CrossAndInsert 95 ## ReduceClash 60 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 8 ## OptSubtree 123 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 55 # jumping subtree containing (T0187)S126 jump= -0.0532923 -0.151207 -0.646254 0.746091 16.7348 -16.1265 4.33165 # Removing break before 121 # Removing break before 73 # jumping subtree containing (T0187)S146 jump= 0.352721 -0.367711 0.846162 -0.156163 -42.0947 -19.3284 -7.90419 # jumping subtree containing (T0187)E218 jump= 0.840239 -0.366827 -0.0159169 0.398979 -17.1635 11.6464 1.1781 # Removing break before 55 # Removing break before 55 # generation 22: best score out of 40: T0187.try1-al4 72.9176 cost/residue, 309 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 135 ## TwoFragment 23 ## CrossOver 26 ## CrossAndInsert 95 ## ReduceClash 61 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 8 ## OptSubtree 141 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S146 jump= -0.367132 0.451595 -0.630492 0.513572 -21.65 -14.0465 26.9772 # Removing break before 55 # jumping subtree containing (T0187)D212 jump= 0.977573 0.188284 -0.0470807 -0.0817581 21.4604 2.19004 -4.75793 # Removing break before 73 # Removing break before 121 # jumping subtree containing (T0187)S146 jump= -0.11939 0.659334 -0.672875 0.31347 -11.2258 -25.9391 30.2978 # Removing break before 55 # generation 23: best score out of 40: T0187.try1-al4 72.7689 cost/residue, 281 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 137 ## TwoFragment 23 ## CrossOver 28 ## CrossAndInsert 96 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 18 ## JiggleSubtree 11 ## OptSubtree 159 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.151146 -0.247502 0.744569 0.601261 36.5014 14.0613 9.56306 # Removing break before 55 # jumping subtree containing (T0187)D189 jump= -0.623035 0.68616 -0.234439 -0.293342 14.4009 29.8037 4.61337 # jumping subtree containing (T0187)P91 jump= -0.999994 -0.000990351 0.00311232 0.00135817 -19.2675 -20.529 1.07073 # jumping subtree containing (T0187)P91 jump= 0.98853 0.136604 0.0621826 0.016736 10.7004 -6.04737 -18.1819 # generation 24: best score out of 40: T0187.try1-al4 72.7689 cost/residue, 281 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 137 ## TwoFragment 23 ## CrossOver 29 ## CrossAndInsert 97 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 13 ## OptSubtree 178 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.153065 0.0411583 0.352852 -0.922156 41.1207 -9.6828 9.37549 # Removing break before 98 # jumping subtree containing (T0187)D196 jump= 0.159157 -0.283496 0.583404 0.744271 0.392243 -17.6595 -18.8145 # Removing break before 46 # jumping subtree containing (T0187)G192 jump= -0.951414 -0.141688 0.196273 -0.190298 -15.4901 15.0084 -8.83577 # Removing break before 36 # jumping subtree containing (T0187)P91 jump= -0.786978 -0.462869 0.25271 -0.320243 21.7759 17.4703 -21.1659 # jumping subtree containing (T0187)P91 jump= -0.546694 0.485096 -0.634677 -0.250983 33.7053 23.3552 7.38063 # Removing break before 43 # generation 25: best score out of 40: T0187.try1-al4 72.7428 cost/residue, 280 clashes 0.00813869 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 138 ## TwoFragment 23 ## CrossOver 30 ## CrossAndInsert 97 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 22 ## JiggleSubtree 15 ## OptSubtree 199 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I222 jump= 0.333345 -0.0384942 0.182575 0.924157 -33.1587 -26.3405 -17.3737 # Removing break before 98 # jumping subtree containing (T0187)G192 jump= -0.829716 -0.334012 -0.438139 0.0896719 5.6266 3.48372 12.6632 # jumping subtree containing (T0187)G192 jump= 0.416324 0.832816 0.325564 -0.164619 -31.5868 55.139 -23.0467 # jumping subtree containing (T0187)I222 jump= 0.158102 0.178897 0.781559 0.576337 -12.3181 -23.7452 36.5685 # jumping subtree containing (T0187)P91 jump= 0.950636 0.00820574 0.121662 -0.285346 6.20094 14.3257 7.91828 # jumping subtree containing (T0187)P91 jump= -0.4127 0.133429 -0.480973 0.761932 5.93646 -7.67575 -7.39513 # jumping subtree containing (T0187)K169 jump= -0.983678 -0.0904009 0.125983 -0.091289 20.0462 -7.3158 5.5575 # Removing break before 131 # jumping subtree containing (T0187)P91 jump= 0.378693 -0.0373725 0.312859 0.870238 7.34928 1.09183 -7.7673 # generation 26: best score out of 40: T0187.try1-al4 72.6138 cost/residue, 277 clashes 0.00739414 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 140 ## TwoFragment 23 ## CrossOver 33 ## CrossAndInsert 97 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 16 ## OptSubtree 216 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 126 # Removing break before 126 # Removing break before 101 # generation 27: best score out of 40: T0187.try1-al4 72.5738 cost/residue, 263 clashes 0.0151501 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 142 ## TwoFragment 23 ## CrossOver 33 ## CrossAndInsert 97 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 17 ## OptSubtree 242 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 101 # Removing break before 126 # Removing break before 101 # jumping subtree containing (T0187)G192 jump= 0.47356 -0.281019 -0.812006 0.19343 -29.7753 -2.91804 27.6826 # jumping subtree containing (T0187)L217 jump= -0.986329 -0.153199 0.00653772 0.0603526 13.7452 -19.0326 24.5417 # jumping subtree containing (T0187)G192 jump= 0.918746 0.241927 -0.0493583 -0.308125 -8.19408 -23.6473 1.6334 # generation 28: best score out of 40: T0187.try1-al4 72.5525 cost/residue, 262 clashes 0.0151501 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 142 ## TwoFragment 23 ## CrossOver 35 ## CrossAndInsert 97 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 21 ## OptSubtree 265 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V216 jump= -0.740635 0.616258 0.155338 0.218074 5.80447 -18.9041 2.36853 # Removing break before 97 # jumping subtree containing (T0187)G192 jump= -0.426125 0.331835 0.0734984 -0.838392 -4.73357 4.7064 -0.370794 # jumping subtree containing (T0187)F129 jump= 0.0581745 -0.426762 0.860819 -0.271072 -22.638 7.63425 -23.7543 # jumping subtree containing (T0187)S207 jump= -0.965638 0.121248 0.221427 -0.0617449 13.6321 13.901 22.4649 # jumping subtree containing (T0187)S207 jump= 0.832699 0.550772 0.0124056 0.0557565 20.4369 8.13613 -16.1254 # Removing break before 97 # jumping subtree containing (T0187)S146 jump= -0.956158 0.102623 0.0446818 0.270617 -11.3067 0.5757 13.332 # generation 29: best score out of 40: T0187.try1-al4 72.5525 cost/residue, 262 clashes 0.0151501 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 142 ## TwoFragment 23 ## CrossOver 36 ## CrossAndInsert 97 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 21 ## OptSubtree 292 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S146 jump= -0.419149 0.0189853 0.371688 -0.828131 -39.9062 11.4529 31.0457 # jumping subtree containing (T0187)G192 jump= 0.951808 0.115596 0.178866 -0.220695 9.41836 20.7935 2.22278 # jumping subtree containing (T0187)G192 jump= 0.607 -0.398617 -0.248566 0.640992 5.76085 15.4497 -13.0209 # jumping subtree containing (T0187)L191 jump= -0.996631 0.0728983 0.00279009 -0.037467 10.3186 21.2722 2.42046 # jumping subtree containing (T0187)G192 jump= -0.987234 -0.102612 0.11004 0.0522618 1.28962 29.5924 -3.04088 # jumping subtree containing (T0187)L133 jump= 0.851309 0.317755 0.234754 -0.345247 -14.6457 -18.2732 -32.1094 # jumping subtree containing (T0187)G192 jump= -0.852411 -0.242003 0.435971 -0.157354 -21.0178 -1.81624 -1.09374 # generation 30: best score out of 40: T0187.try1-al4 72.5524 cost/residue, 262 clashes 0.0151501 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 142 ## TwoFragment 23 ## CrossOver 36 ## CrossAndInsert 97 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 24 ## OptSubtree 319 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S146 jump= -0.999934 -0.00959267 -0.00546118 0.0033211 1.07244 -11.1225 -25.453 # jumping subtree containing (T0187)G192 jump= 0.448794 0.799079 -0.0913983 -0.389491 11.4797 32.9463 -6.09871 # jumping subtree containing (T0187)G192 jump= 0.242157 0.458979 -0.834216 -0.1865 7.98846 2.29424 -17.0546 # jumping subtree containing (T0187)P91 jump= -0.565702 -0.147553 -0.591879 0.554877 36.4859 -36.5921 -24.9875 # jumping subtree containing (T0187)S146 jump= 0.714233 -0.44133 0.392481 -0.375576 -28.2834 -36.8038 -4.76635 # jumping subtree containing (T0187)G192 jump= -0.890947 0.0850141 0.119315 0.429826 -3.74467 -27.1057 37.3982 # jumping subtree containing (T0187)S146 jump= -0.0600202 -0.145769 0.373217 0.914253 -54.6996 1.68313 -9.60211 # generation 31: best score out of 40: T0187.try1-al4 72.5524 cost/residue, 262 clashes 0.0151501 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 142 ## TwoFragment 23 ## CrossOver 37 ## CrossAndInsert 97 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 24 ## OptSubtree 342 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S146 jump= -0.984858 0.119317 -0.122931 0.0265704 -16.1562 14.5436 -21.4817 # jumping subtree containing (T0187)P91 jump= -0.737947 -0.073587 -0.649931 0.166156 -82.9728 -5.94412 -47.1229 # jumping subtree containing (T0187)E134 jump= -0.0302559 0.17759 -0.712309 -0.678353 -41.0133 32.9886 -51.8548 # jumping subtree containing (T0187)G192 jump= 0.0307488 0.15936 -0.962037 0.219416 2.82233 12.328 33.6362 # jumping subtree containing (T0187)S146 jump= 0.700386 0.39664 0.403064 0.435517 -58.3155 27.9442 21.3876 # generation 32: best score out of 40: T0187.try1-al4 72.527 cost/residue, 261 clashes 0.0124343 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 143 ## TwoFragment 23 ## CrossOver 40 ## CrossAndInsert 97 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 25 ## OptSubtree 364 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S146 jump= -0.75249 0.189663 -0.354294 0.521788 -1.05578 -19.3072 -15.8691 # jumping subtree containing (T0187)G192 jump= -0.206099 0.597485 0.146902 0.76089 -91.5248 1.69521 43.6318 # jumping subtree containing (T0187)S146 jump= -0.6316 0.165018 0.755653 0.0532806 11.475 -0.277521 42.1428 # jumping subtree containing (T0187)T236 jump= 0.821457 -0.136602 -0.553659 0.00322145 -21.2728 9.25844 56.5306 # jumping subtree containing (T0187)G192 jump= -0.958783 0.271771 0.00944903 -0.0823743 14.3819 -12.7775 25.2333 # jumping subtree containing (T0187)F178 jump= 0.829886 0.268427 -0.344771 -0.346942 -21.1679 -2.40314 0.469934 # jumping subtree containing (T0187)S146 jump= 0.388941 0.814262 0.30298 0.306441 18.851 -20.3885 3.65067 # generation 33: best score out of 40: T0187.try1-al4 72.527 cost/residue, 261 clashes 0.0124343 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 145 ## TwoFragment 23 ## CrossOver 41 ## CrossAndInsert 97 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 25 ## OptSubtree 385 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 56 # jumping subtree containing (T0187)G192 jump= 0.821701 -0.163889 0.380869 -0.391007 -52.8956 -48.0475 -9.64804 # jumping subtree containing (T0187)P91 jump= 0.923653 0.27532 -0.262833 -0.0445338 15.5577 12.5591 3.40304 # jumping subtree containing (T0187)V117 jump= 0.627219 -0.443672 -0.106268 0.631236 -60.7752 36.7481 -3.93475 # Removing break before 56 # jumping subtree containing (T0187)E226 jump= -0.208266 0.767965 0.303254 -0.524301 -3.43123 -36.4682 -76.897 # jumping subtree containing (T0187)G192 jump= 0.528085 0.400403 -0.561165 0.495881 -41.7149 -37.6435 -27.6108 # Removing break before 56 # generation 34: best score out of 40: T0187.try1-al4 72.5269 cost/residue, 261 clashes 0.0124343 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 145 ## TwoFragment 23 ## CrossOver 44 ## CrossAndInsert 97 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 26 ## OptSubtree 411 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= 0.554968 -0.249382 0.422933 -0.671526 49.5503 -51.0933 -36.7006 # jumping subtree containing (T0187)V136 jump= -0.924335 0.2545 0.265779 -0.100979 -11.1016 14.1673 -10.1911 # Removing break before 56 # Removing break before 56 # Removing break before 56 # Removing break before 56 # Removing break before 56 # jumping subtree containing (T0187)G192 jump= -0.975789 -0.101596 0.178181 0.0759299 3.71998 14.0915 1.69932 # Removing break before 56 # jumping subtree containing (T0187)G192 jump= 0.991717 -0.114888 0.0561399 -0.0120688 8.86998 16.275 -6.63872 # Removing break before 56 # jumping subtree containing (T0187)P91 jump= 0.938484 0.146055 0.00483126 0.312877 -14.3288 12.0582 -2.1549 # generation 35: best score out of 40: T0187.try1-al4 72.4803 cost/residue, 248 clashes 0.00793956 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 145 ## TwoFragment 23 ## CrossOver 45 ## CrossAndInsert 97 ## ReduceClash 65 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 26 ## OptSubtree 433 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= 0.580469 -0.427513 0.240358 0.650012 -25.7382 40.2376 -25.2568 # jumping subtree containing (T0187)G192 jump= 0.857055 0.356803 0.367894 -0.0529397 12.9851 -31.8875 -6.91259 # jumping subtree containing (T0187)E226 jump= 0.0305475 0.796155 -0.246695 0.551675 3.27446 -48.6942 -26.667 # Removing break before 56 # Removing break before 56 # jumping subtree containing (T0187)A147 jump= -0.925218 0.203532 0.294938 -0.124728 -36.9949 19.5781 -4.37135 # jumping subtree containing (T0187)G192 jump= 0.893615 -0.071645 -0.0112878 0.442936 -14.2006 -10.5762 -24.7832 # jumping subtree containing (T0187)G192 jump= 0.21694 0.0937409 -0.0870053 -0.967771 0.210461 -36.1259 19.3675 # generation 36: best score out of 40: T0187.try1-al4 72.4803 cost/residue, 248 clashes 0.00793956 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 145 ## TwoFragment 23 ## CrossOver 48 ## CrossAndInsert 97 ## ReduceClash 65 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 27 ## OptSubtree 453 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 56 # jumping subtree containing (T0187)G192 jump= -0.92612 0.0396983 0.374572 -0.0205492 -18.6106 19.7965 5.82556 # Removing break before 56 # jumping subtree containing (T0187)P91 jump= -0.795056 -0.440585 -0.366329 0.198933 13.5964 -56.744 -17.8112 # jumping subtree containing (T0187)G192 jump= 0.811237 -0.250542 -0.503606 -0.159697 -11.6732 5.31027 -16.4372 # Removing break before 56 # jumping subtree containing (T0187)G192 jump= -0.997635 -0.00245672 0.0548026 -0.0414106 -7.00546 -0.0643022 29.2508 # Removing break before 56 # generation 37: best score out of 40: T0187.try1-al4 72.2245 cost/residue, 240 clashes 0.0268674 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 147 ## TwoFragment 23 ## CrossOver 50 ## CrossAndInsert 97 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 28 ## OptSubtree 481 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # Removing break before 68 # Removing break before 68 # jumping subtree containing (T0187)E226 jump= 0.595423 0.0751214 -0.302098 -0.740651 1.27994 0.434729 19.7629 # generation 38: best score out of 40: T0187.try1-al4 72.2245 cost/residue, 240 clashes 0.0268674 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 148 ## TwoFragment 23 ## CrossOver 51 ## CrossAndInsert 97 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 30 ## OptSubtree 501 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= 0.806682 0.510272 -0.137927 -0.264315 -29.6713 -64.729 -38.9593 # Removing break before 68 # jumping subtree containing (T0187)G192 jump= 0.117709 0.0730038 -0.253574 0.957348 -44.3023 -33.8866 8.61155 # Removing break before 68 # jumping subtree containing (T0187)E226 jump= -0.499697 0.503466 -0.546961 0.444588 14.8063 -11.1809 -39.8152 # jumping subtree containing (T0187)N159 jump= -0.0622581 -0.48039 0.841684 0.238573 -31.1641 0.122631 -61.6436 # jumping subtree containing (T0187)G192 jump= -0.261538 -0.468547 0.782219 0.316537 -37.5252 -3.0649 -33.6554 # jumping subtree containing (T0187)L133 jump= 0.257298 0.823347 0.489407 -0.127977 9.51979 -13.5997 -72.5539 # jumping subtree containing (T0187)L131 jump= 0.994951 -0.0597805 -0.0711276 -0.0379489 -11.7806 -7.21171 26.5625 # jumping subtree containing (T0187)G125 jump= 0.515415 0.556376 -0.0682062 0.648183 -8.89146 -61.0194 -16.5937 # jumping subtree containing (T0187)G192 jump= 0.249167 -0.321394 0.77222 -0.488159 -2.92718 -45.0853 -66.3408 # jumping subtree containing (T0187)G192 jump= 0.493024 -0.150888 0.545063 0.66111 -9.09629 30.2515 -21.3232 # generation 39: best score out of 40: T0187.try1-al4 72.2245 cost/residue, 240 clashes 0.0268674 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 148 ## TwoFragment 23 ## CrossOver 54 ## CrossAndInsert 97 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 30 ## OptSubtree 529 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G192 jump= -0.980971 -0.160878 -0.058406 -0.091666 -5.63738 -15.4661 6.76174 # jumping subtree containing (T0187)G192 jump= -0.991936 0.0102143 -0.0625032 -0.109786 5.261 14.8157 17.7318 # jumping subtree containing (T0187)E226 jump= 0.306381 0.320174 0.886579 -0.132656 22.7976 -25.3118 -48.6742 # generation 40: best score out of 40: T0187.try1-al4 72.1986 cost/residue, 221 clashes 0.0268674 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 148 ## TwoFragment 23 ## CrossOver 56 ## CrossAndInsert 98 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 30 ## OptSubtree 550 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.617643 0.0755802 0.653429 -0.431086 -126.217 -23.9156 -79.5557 # jumping subtree containing (T0187)E226 jump= -0.965277 0.0960334 0.215798 -0.111579 -50.0763 14.8378 8.80103 # jumping subtree containing (T0187)P91 jump= -0.96888 0.0269008 0.10659 0.221781 -5.51308 -22.0324 15.4727 # jumping subtree containing (T0187)L133 jump= -0.723069 -0.629571 0.0742367 -0.274408 -18.1511 -47.0335 -14.6676 # jumping subtree containing (T0187)E226 jump= 0.949179 0.131271 -0.113664 0.262503 7.01632 -19.8859 12.4565 # jumping subtree containing (T0187)E134 jump= 0.57279 0.101706 -0.700334 -0.413642 -66.7191 -10.1947 -34.092 # jumping subtree containing (T0187)E134 jump= -0.696553 -0.239364 -0.56317 -0.374646 -1.88694 26.9596 -17.2714 # generation 41: best score out of 40: T0187.try1-al4 72.1977 cost/residue, 239 clashes 0.0268674 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 149 ## TwoFragment 23 ## CrossOver 61 ## CrossAndInsert 98 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 31 ## OptSubtree 572 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N159 jump= -0.691834 0.343356 0.515606 0.370976 -9.06473 13.799 18.1677 # jumping subtree containing (T0187)E226 jump= -0.270198 0.0807096 -0.330345 -0.90075 -14.7846 -16.9374 11.3413 # jumping subtree containing (T0187)E134 jump= 0.324501 0.832052 -0.196218 -0.40483 -63.361 -71.9295 -65.0774 # jumping subtree containing (T0187)E226 jump= -0.592321 0.627443 0.21905 0.455508 39.0641 -5.85147 -24.6598 # jumping subtree containing (T0187)E226 jump= 0.979901 0.0479715 0.171254 0.0903577 33.587 -1.04835 4.1195 # jumping subtree containing (T0187)N159 jump= -0.642783 0.617663 -0.434507 0.128557 17.8825 -16.6528 -31.9557 # generation 42: best score out of 40: T0187.try1-al4 72.1977 cost/residue, 239 clashes 0.0268674 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 149 ## TwoFragment 23 ## CrossOver 62 ## CrossAndInsert 98 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 32 ## OptSubtree 603 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= 0.997905 0.0414974 -0.039311 0.030292 15.34 -21.8281 5.38601 # jumping subtree containing (T0187)E134 jump= -0.932271 0.0768996 0.352521 0.0261934 -8.02458 -2.30246 25.6055 # jumping subtree containing (T0187)G192 jump= 0.757017 0.526081 0.320937 -0.217171 16.9717 -34.92 -16.2261 # jumping subtree containing (T0187)L217 jump= -0.00780716 0.771055 0.636459 0.018229 -15.8274 -14.46 -61.2614 # jumping subtree containing (T0187)E134 jump= -0.962487 0.204116 -0.176162 -0.0303637 -13.0783 8.71488 -6.2724 # jumping subtree containing (T0187)E226 jump= 0.998439 -0.00970629 -0.0457709 -0.0305066 -4.07194 -0.403744 -24.2468 # jumping subtree containing (T0187)L131 jump= -0.830147 0.446381 0.0375357 0.331951 -7.92444 30.3519 3.92301 # jumping subtree containing (T0187)E226 jump= -0.672185 -0.591126 -0.25985 0.362237 8.03726 -75.5892 -16.0379 # Removing break before 68 # jumping subtree containing (T0187)L133 jump= 0.315826 -0.43008 -0.836608 -0.123987 -30.8189 31.7188 -37.8127 # jumping subtree containing (T0187)L133 jump= 0.960468 -0.234758 -0.144273 -0.0396958 1.90941 22.4293 -14.465 # jumping subtree containing (T0187)E134 jump= 0.465458 -0.86638 0.125945 -0.129896 23.9861 13.7382 -51.2865 # jumping subtree containing (T0187)N159 jump= -0.71476 0.0540323 -0.291303 0.633515 18.7824 -25.4867 -19.0206 # jumping subtree containing (T0187)Q167 jump= -0.999997 0.00160462 0.00166433 -0.000956938 -7.14403 -18.4834 -7.98145 # generation 43: best score out of 40: T0187.try1-al4 72.1721 cost/residue, 220 clashes 0.0268674 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 149 ## TwoFragment 23 ## CrossOver 65 ## CrossAndInsert 98 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 32 ## OptSubtree 628 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P205 jump= 0.396146 0.366373 -0.623695 0.565548 -45.9474 -56.7499 -25.7941 # jumping subtree containing (T0187)E226 jump= 0.940353 -0.100825 0.0620506 -0.318935 9.07646 -19.6068 14.496 # jumping subtree containing (T0187)E226 jump= 0.528904 -0.234136 0.802073 -0.148729 28.597 2.0543 -68.4929 # jumping subtree containing (T0187)E226 jump= -0.772195 -0.00725857 0.590614 -0.234172 -37.9392 -21.9393 -70.9468 # jumping subtree containing (T0187)E226 jump= -0.613249 0.764598 0.180737 0.0815531 17.6147 12.0316 -35.4209 # Removing break before 68 # jumping subtree containing (T0187)L133 jump= -0.857996 -0.0295063 -0.292863 -0.420955 -14.653 17.8895 -4.26605 # jumping subtree containing (T0187)L133 jump= 0.743947 -0.139917 -0.119703 -0.642369 -20.9665 15.6362 -0.519317 # jumping subtree containing (T0187)L133 jump= 0.417814 0.311909 -0.818189 -0.242304 -53.9209 -16.2026 -32.2243 # generation 44: best score out of 40: T0187.try1-al4 72.1721 cost/residue, 220 clashes 0.0268674 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 149 ## TwoFragment 23 ## CrossOver 66 ## CrossAndInsert 98 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 32 ## OptSubtree 651 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q167 jump= 0.673691 -0.643872 0.0732562 -0.35525 26.5485 14.5359 -42.1839 # jumping subtree containing (T0187)Q167 jump= -0.280329 0.188545 0.0299238 0.940729 -0.056035 -27.1024 -22.0103 # jumping subtree containing (T0187)E226 jump= -0.196013 -0.473682 0.807094 0.292922 -39.2134 -1.01157 -53.7231 # jumping subtree containing (T0187)E226 jump= 0.666565 0.115662 -0.409382 -0.612143 -13.008 -22.6762 -13.8395 # jumping subtree containing (T0187)I158 jump= 0.413471 0.642631 0.590995 -0.258441 25.5806 -10.9254 -36.1774 # jumping subtree containing (T0187)L121 jump= -0.75768 0.0835053 0.209039 0.612578 -15.6797 6.54325 17.8448 # jumping subtree containing (T0187)E226 jump= 0.696377 -0.656703 0.268712 0.107677 0.752712 6.65526 -41.5811 # jumping subtree containing (T0187)P91 jump= 0.737702 0.540181 0.379342 0.141772 43.3093 -68.3817 18.1386 # jumping subtree containing (T0187)G192 jump= 0.947116 0.0629936 0.0503273 0.310597 -17.9848 0.421532 16.4691 # jumping subtree containing (T0187)N159 jump= -0.667886 0.208569 0.710186 -0.0778658 -62.8945 20.0811 -19.5891 # jumping subtree containing (T0187)I232 jump= 0.257856 -0.0545778 0.889378 -0.373549 20.3049 -34.64 -44.7896 # generation 45: best score out of 40: T0187.try1-al4 72.0625 cost/residue, 259 clashes 0.0268674 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 150 ## TwoFragment 23 ## CrossOver 70 ## CrossAndInsert 99 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 33 ## OptSubtree 675 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N159 jump= 0.985515 -0.00750389 -0.00543556 0.169336 2.25042 -5.59177 13.2279 # jumping subtree containing (T0187)E226 jump= 0.955098 0.212594 0.0551596 -0.198868 -4.84382 -36.1033 17.1833 # jumping subtree containing (T0187)N159 jump= -0.899914 -0.16199 -0.3427 0.21557 -3.90668 -48.2003 -52.7705 # jumping subtree containing (T0187)L133 jump= 0.403242 0.152434 -0.858932 -0.276399 -59.6038 -7.05449 -40.2743 # jumping subtree containing (T0187)E226 jump= 0.569183 0.743429 0.336859 0.0993537 27.3392 -53.996 -53.7395 # jumping subtree containing (T0187)L131 jump= -0.501016 0.169682 -0.659531 0.53405 -1.22224 -31.1352 -31.8859 # jumping subtree containing (T0187)E226 jump= 0.540856 0.355073 -0.17111 0.743047 -42.1034 -54.6135 -16.067 # Removing break before 68 # jumping subtree containing (T0187)P91 jump= 0.868803 -0.37377 -0.31744 0.0686267 -45.5247 10.1883 -36.7654 # jumping subtree containing (T0187)N114 jump= -0.0754106 0.95118 0.297223 0.0350562 20.6683 2.10472 -65.2756 # jumping subtree containing (T0187)P91 jump= -0.78849 0.338099 0.44075 0.26403 -13.6964 28.1236 -29.6336 # generation 46: best score out of 40: T0187.try1-al4 72.0124 cost/residue, 239 clashes 0.0268674 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 152 ## TwoFragment 23 ## CrossOver 73 ## CrossAndInsert 100 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 36 ## OptSubtree 701 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N159 jump= 0.470606 -0.111226 0.466343 0.740731 -42.1825 22.9095 -9.83413 # jumping subtree containing (T0187)L133 jump= 0.85243 -0.132077 0.179489 0.472972 6.01906 44.9921 -1.7947 # Removing break before 68 # Removing break before 68 # jumping subtree containing (T0187)T236 jump= 0.702767 0.59395 0.388351 -0.0502484 28.4723 -45.8854 -26.8716 # jumping subtree containing (T0187)T236 jump= 0.404084 0.785932 0.315564 0.34561 33.4607 -44.231 1.51975 # jumping subtree containing (T0187)T236 jump= -0.262018 -0.699351 -0.640694 -0.178228 16.0813 14.234 -70.6534 # jumping subtree containing (T0187)Q167 jump= 0.970997 -0.0135107 0.216504 0.100538 2.86472 -21.9295 -1.85509 # generation 47: best score out of 40: T0187.try1-al4 72.0124 cost/residue, 239 clashes 0.0268674 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 153 ## TwoFragment 23 ## CrossOver 73 ## CrossAndInsert 100 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 36 ## OptSubtree 728 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.000935859 -0.616809 -0.633016 0.467799 10.8639 -68.5317 -41.2522 # jumping subtree containing (T0187)T236 jump= -0.281641 -0.919646 -0.134444 -0.238442 31.6372 -47.5459 -8.58414 # jumping subtree containing (T0187)G192 jump= -0.683223 0.718669 0.0169192 0.128204 16.1141 -8.42964 -11.7441 # jumping subtree containing (T0187)N159 jump= 0.70152 -0.420964 0.574138 0.0319994 -19.9843 19.6733 -47.2051 # jumping subtree containing (T0187)L121 jump= 0.0324793 -0.522136 -0.809823 0.26553 -40.3562 12.0184 -99.0299 # jumping subtree containing (T0187)L128 jump= 0.478611 -0.864061 -0.154905 0.0182819 22.5806 19.7852 -125.527 # jumping subtree containing (T0187)Q142 jump= -0.300134 -0.402023 0.00180574 -0.86504 -33.0252 -21.9848 22.7723 # jumping subtree containing (T0187)A174 jump= 0.0784785 0.730053 -0.542083 0.408669 -2.48939 -9.88096 -62.6763 # jumping subtree containing (T0187)S166 jump= -0.985908 0.00338932 -0.166176 0.0189399 19.64 -1.03232 -9.72076 # jumping subtree containing (T0187)P91 jump= -0.432339 -0.550216 0.0241286 0.713977 -49.0164 -50.2335 -14.2391 # jumping subtree containing (T0187)P91 jump= 0.963069 0.0776354 -0.236228 0.103285 0.11875 -1.43107 12.8966 # generation 48: best score out of 40: T0187.try1-al4 71.9681 cost/residue, 252 clashes 0.0391587 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 153 ## TwoFragment 24 ## CrossOver 74 ## CrossAndInsert 100 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 38 ## OptSubtree 757 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 127 # jumping subtree containing (T0187)E226 jump= -0.361108 0.556851 -0.130448 0.736547 11.2492 -51.9672 -28.1497 # jumping subtree containing (T0187)L121 jump= -0.199382 0.756387 -0.152801 0.603968 19.9602 -21.5011 -40.878 # jumping subtree containing (T0187)E226 jump= -0.384575 0.903435 -0.187346 0.0284441 -3.79582 -17.8298 -84.5747 # jumping subtree containing (T0187)V177 jump= -0.458568 0.109337 -0.612643 0.634372 -8.83338 -62.9988 -55.3869 # jumping subtree containing (T0187)G192 jump= -0.433945 -0.170891 0.883546 0.0428289 -26.8402 12.7459 -30.7431 # jumping subtree containing (T0187)Q142 jump= -0.688464 0.363331 -0.622841 0.077957 -8.56419 -3.79605 -46.8715 # jumping subtree containing (T0187)N159 jump= -0.442543 0.393084 -0.508188 0.625608 -12.5295 -72.5473 -32.9215 # generation 49: best score out of 40: T0187.try1-al4 71.9681 cost/residue, 252 clashes 0.0391587 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 153 ## TwoFragment 24 ## CrossOver 75 ## CrossAndInsert 100 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 39 ## OptSubtree 779 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= -0.887937 0.200876 -0.407301 -0.0729611 -20.6935 6.5347 -36.3954 # jumping subtree containing (T0187)G192 jump= -0.0104884 0.274623 0.354155 0.893894 -35.8498 60.1391 10.174 # jumping subtree containing (T0187)L131 jump= -0.799919 -0.599058 0.0354222 0.00200067 16.2958 -63.3734 -50.1236 # jumping subtree containing (T0187)E226 jump= -0.200478 -0.0369138 0.0595534 -0.97719 -78.5381 53.3913 22.9044 # jumping subtree containing (T0187)P91 jump= 0.388956 0.418755 0.290517 0.767436 15.3188 -19.6654 -9.04829 # jumping subtree containing (T0187)Q142 jump= 0.856968 0.303975 -0.194735 0.36781 -1.40859 -5.1427 -13.3831 # jumping subtree containing (T0187)G192 jump= -0.925354 0.267257 -0.188322 -0.191907 -5.40052 18.3336 -1.5207 # jumping subtree containing (T0187)S225 jump= 0.896974 0.286387 -0.0182466 -0.336284 1.40304 -36.5488 17.008 # jumping subtree containing (T0187)E134 jump= 0.956964 -0.263228 -0.101155 -0.0685485 -9.80071 12.6275 -12.7928 # jumping subtree containing (T0187)E226 jump= 0.605821 0.111882 0.373446 0.693543 6.09471 -4.13812 30.7772 # generation 50: best score out of 40: T0187.try1-al4 71.8259 cost/residue, 251 clashes 0.0359114 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 155 ## TwoFragment 24 ## CrossOver 76 ## CrossAndInsert 100 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 40 ## OptSubtree 809 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E134 jump= -0.871936 0.0633682 0.342924 0.343678 -28.034 -9.93768 -2.8086 # jumping subtree containing (T0187)P91 jump= -0.735326 0.56733 -0.36031 -0.0872303 24.1066 16.9845 -70.7983 # jumping subtree containing (T0187)E134 jump= 0.84246 -0.2945 0.432881 -0.127061 -0.269346 13.2499 -27.775 # Removing break before 68 # jumping subtree containing (T0187)N159 jump= 0.907275 -0.230958 -0.00185279 0.351434 -47.7375 19.8889 -22.634 # jumping subtree containing (T0187)E226 jump= 0.344499 0.288143 0.0119177 0.893394 -21.5306 -43.6155 3.95217 # jumping subtree containing (T0187)E226 jump= -0.999662 -0.00713444 0.0120118 0.0219403 8.50072 12.7135 22.5673 # jumping subtree containing (T0187)P91 jump= -0.976464 0.209196 0.0291041 -0.0436845 19.7494 24.4507 -13.2386 # jumping subtree containing (T0187)E226 jump= -0.552348 -0.200118 -0.0479399 -0.807815 -25.4637 -21.1396 4.53708 # jumping subtree containing (T0187)E226 jump= 0.0318131 0.744933 -0.548868 0.377898 43.2473 -23.6864 -85.4553 # generation 51: best score out of 40: T0187.try1-al4 71.8259 cost/residue, 251 clashes 0.0359114 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 156 ## TwoFragment 24 ## CrossOver 76 ## CrossAndInsert 100 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 41 ## OptSubtree 844 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.131668 -0.0543607 -0.97649 -0.16179 -6.33567 11.2954 -56.3177 # jumping subtree containing (T0187)E226 jump= -0.107033 0.737252 -0.0199778 0.666787 21.7213 -12.871 -25.1756 # jumping subtree containing (T0187)E226 jump= 0.175573 -0.543582 0.747819 0.338319 -72.1337 -14.6642 -52.2479 # jumping subtree containing (T0187)E226 jump= -0.999477 0.0151368 -0.0285014 0.00219563 13.0845 21.5316 -12.4581 # jumping subtree containing (T0187)P91 jump= -0.8187 -0.103083 0.0164068 -0.564655 -29.8638 -5.45574 9.61073 # jumping subtree containing (T0187)E218 jump= 0.922416 -0.00797177 -0.277182 0.268804 -7.49068 14.098 -16.1285 # jumping subtree containing (T0187)N159 jump= -0.0627548 0.921366 0.142216 -0.356261 -9.31188 -12.6485 -69.935 # jumping subtree containing (T0187)K215 jump= 0.278581 0.958527 -0.053326 0.0278558 -15.6631 -65.8809 -23.5053 # Removing break before 68 # generation 52: best score out of 40: T0187.try1-al4 71.8259 cost/residue, 251 clashes 0.0359115 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 156 ## TwoFragment 24 ## CrossOver 77 ## CrossAndInsert 100 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 41 ## OptSubtree 873 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N159 jump= -0.0913247 0.940124 0.226318 0.237923 -3.48223 -25.9355 -37.9504 # jumping subtree containing (T0187)N159 jump= -0.333329 -0.936995 -0.0965231 -0.0402007 3.99732 -17.0556 -32.14 # Removing break before 68 # jumping subtree containing (T0187)P91 jump= -0.642118 0.313292 0.290233 -0.63663 -38.5612 2.38771 -1.80361 # jumping subtree containing (T0187)L133 jump= 0.831272 -0.393458 -0.17642 -0.350789 -25.3671 -1.95894 3.59415 # jumping subtree containing (T0187)L133 jump= 1 0.00060459 -0.000161333 -0.000141921 -3.19939 -24.893 7.00425 # jumping subtree containing (T0187)N159 jump= -0.978052 0.0554958 -0.112338 -0.166479 17.6429 17.5652 1.35212 # Removing break before 68 # generation 53: best score out of 40: T0187.try1-al4 71.8259 cost/residue, 251 clashes 0.0359115 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 156 ## TwoFragment 24 ## CrossOver 81 ## CrossAndInsert 100 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 43 ## OptSubtree 891 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.702058 -0.389284 0.590366 0.0839061 -10.9759 14.824 -27.961 # jumping subtree containing (T0187)N159 jump= -0.959684 -0.18936 0.00522339 0.20766 11.0556 -24.2199 14.5335 # jumping subtree containing (T0187)E226 jump= -0.657352 0.695019 -0.291206 -0.0060026 -13.0257 -2.54743 -53.5757 # jumping subtree containing (T0187)E218 jump= -0.639898 -0.0597568 0.317618 -0.697194 -11.5467 -24.0251 0.749416 # jumping subtree containing (T0187)L131 jump= 0.977338 0.200585 0.0655422 0.0167252 -6.65456 21.3332 14.1544 # jumping subtree containing (T0187)N159 jump= 0.35272 -0.164782 -0.866219 -0.31321 -38.1596 13.7388 -27.8729 # jumping subtree containing (T0187)L133 jump= -0.598398 -0.376686 0.700181 -0.0988646 -46.829 -9.85202 -34.4937 # jumping subtree containing (T0187)Q142 jump= 0.0597137 -0.858602 0.444036 -0.249136 -33.9473 -36.2057 -38.6887 # generation 54: best score out of 40: T0187.try1-al4 71.8258 cost/residue, 251 clashes 0.0359114 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 156 ## TwoFragment 24 ## CrossOver 86 ## CrossAndInsert 100 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 43 ## OptSubtree 914 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N159 jump= 0.31582 0.615465 -0.563052 -0.452143 -42.3103 -57.6978 -12.1617 # jumping subtree containing (T0187)E226 jump= -0.12974 0.320353 -0.107776 -0.932162 -31.5767 -57.9465 -8.54924 # jumping subtree containing (T0187)P91 jump= -0.88219 -0.296154 -0.350451 0.105915 4.01198 -20.4118 -14.8878 # jumping subtree containing (T0187)E226 jump= 0.752581 0.493349 0.367187 0.235376 9.35241 -10.1365 -22.9531 # jumping subtree containing (T0187)N159 jump= 0.808816 0.339916 -0.38935 0.2805 -43.4922 -27.8301 -2.89167 # jumping subtree containing (T0187)L131 jump= -0.903941 -0.102943 0.29368 0.293335 -1.74052 -45.5105 4.94174 # jumping subtree containing (T0187)Q142 jump= -0.0891257 0.485462 -0.508064 0.705872 -38.0152 -51.7031 11.3558 # jumping subtree containing (T0187)P91 jump= 0.810516 0.115042 -0.553744 0.152305 -62.2282 -12.3242 34.2352 # jumping subtree containing (T0187)N159 jump= -0.999186 -0.0029683 0.0385427 -0.011522 -16.0079 10.4897 -6.46827 # Removing break before 68 # jumping subtree containing (T0187)A180 jump= 0.933001 0.341147 0.105175 0.0454581 4.81634 -7.42442 -1.15587 # Removing break before 127 # Removing break before 68 # jumping subtree containing (T0187)E226 jump= 0.974585 -0.0959971 -0.183722 0.0849401 -4.04821 13.4745 1.69028 # jumping subtree containing (T0187)E226 jump= 0.936146 -0.183085 -0.300142 -0.00501916 -9.78626 1.15597 -22.9361 # generation 55: best score out of 40: T0187.try1-al4 71.7578 cost/residue, 251 clashes 0.0404283 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 157 ## TwoFragment 24 ## CrossOver 88 ## CrossAndInsert 100 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 45 ## OptSubtree 934 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing (T0187)E226 jump= -0.991101 0.0349045 0.0218859 0.126579 7.83835 -15.3449 3.09523 # jumping subtree containing (T0187)E226 jump= 0.633824 0.0866138 -0.767903 -0.0330199 -90.19 -23.4383 12.3905 # jumping subtree containing (T0187)L131 jump= -0.0107004 -0.172765 -0.959694 0.221416 -82.2415 -0.616785 -6.82597 # Removing break before 127 # jumping subtree containing (T0187)E134 jump= 0.999744 0.00497234 0.00406099 0.0216743 14.4276 -15.2447 -3.6532 # jumping subtree containing (T0187)L133 jump= 0.905427 -0.190774 0.370411 0.0812586 -28.8526 25.929 -42.7071 # jumping subtree containing (T0187)N159 jump= 0.264438 0.379142 0.717674 0.520833 -49.3776 51.6521 2.46279 # jumping subtree containing (T0187)P91 jump= 0.910049 -0.0635809 0.4056 -0.0570772 21.5628 -0.508048 -53.9429 # generation 56: best score out of 40: T0187.try1-al4 71.3936 cost/residue, 252 clashes 0.0500178 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 158 ## TwoFragment 24 ## CrossOver 88 ## CrossAndInsert 100 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 46 ## OptSubtree 955 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.301676 0.726434 -0.394876 0.474719 -48.7501 -75.5944 -27.5528 # jumping subtree containing (T0187)P91 jump= 0.569693 0.457142 0.355365 -0.583256 -20.011 -104.031 -59.4923 # jumping subtree containing (T0187)E134 jump= -0.281496 0.244423 0.661044 0.651182 -67.4351 -21.3557 28.4358 # jumping subtree containing (T0187)Q142 jump= 0.527955 0.440283 -0.107402 0.718247 -49.739 21.1511 9.36514 # jumping subtree containing (T0187)L131 jump= -0.961911 -0.0871555 0.0883435 0.243569 16.1362 -41.4595 9.96126 # jumping subtree containing (T0187)P91 jump= 0.196723 0.320825 0.565087 0.734199 -53.6945 8.29971 30.1226 # jumping subtree containing (T0187)E226 jump= -0.582711 -0.565492 -0.31874 -0.488949 9.08669 -19.0907 -0.0895557 # jumping subtree containing (T0187)S208 jump= -0.623622 -0.0038375 0.70273 0.34242 -65.0484 23.7022 2.62869 # jumping subtree containing (T0187)Q142 jump= 0.903371 0.106778 -0.381957 -0.163179 -2.724 -27.6688 36.9774 # generation 57: best score out of 40: T0187.try1-al4 71.3935 cost/residue, 252 clashes 0.0500177 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 159 ## TwoFragment 24 ## CrossOver 88 ## CrossAndInsert 100 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 46 ## OptSubtree 988 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= 0.962389 -0.135058 0.235289 -0.014331 4.11139 -9.10529 -26.1805 # jumping subtree containing (T0187)E134 jump= -0.525573 -0.791246 0.187525 0.250076 -16.0509 -53.4476 4.68404 # jumping subtree containing (T0187)Q142 jump= -0.172861 -0.123927 0.505118 0.836431 -86.8204 -16.9845 -4.82215 # jumping subtree containing (T0187)L131 jump= -0.936417 0.0927631 -0.238481 0.240094 18.4493 -49.4383 -37.8 # jumping subtree containing (T0187)E134 jump= -0.746328 0.542882 0.327791 0.202055 -6.8488 0.888395 -3.54903 # jumping subtree containing (T0187)N159 jump= 0.847867 0.201334 -0.263092 0.413968 -55.8251 13.5073 20.8955 # jumping subtree containing (T0187)E226 jump= 0.721065 -0.259312 -0.44565 0.462837 -62.3658 -12.8493 -12.7446 # jumping subtree containing (T0187)E134 jump= -0.250177 0.837677 0.447408 -0.188506 -7.85581 25.415 -37.0837 # jumping subtree containing (T0187)E130 jump= 0.315292 -0.408433 0.154979 -0.842469 -59.4051 -104.062 9.45758 # jumping subtree containing (T0187)E134 jump= -0.48638 -0.352705 -0.41585 -0.682717 -72.5242 15.868 17.1267 # jumping subtree containing (T0187)E134 jump= 0.729668 -0.259314 0.600094 0.200572 -24.9868 -7.78854 -63.2931 # jumping subtree containing (T0187)P91 jump= 0.880732 -0.00645501 -0.469478 -0.0621245 -32.9521 -7.42228 26.2663 # jumping subtree containing (T0187)E134 jump= -0.507581 -0.649947 -0.044933 -0.563836 -7.24917 -35.2276 48.2106 # generation 58: best score out of 40: T0187.try1-al4 71.3935 cost/residue, 252 clashes 0.0500179 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 159 ## TwoFragment 24 ## CrossOver 88 ## CrossAndInsert 100 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 49 ## OptSubtree 1018 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.755645 0.246568 -0.533939 0.288296 -7.72029 -15.0089 -70.2389 # jumping subtree containing (T0187)E226 jump= 0.633539 -0.291114 0.548213 0.461891 -73.565 -16.8203 -42.7492 # jumping subtree containing (T0187)E134 jump= -0.977962 -0.179113 -0.100049 0.0387163 -3.64817 -28.156 28.4402 # jumping subtree containing (T0187)E134 jump= 0.934658 0.112222 -0.330202 -0.0691926 -51.0062 -18.1675 39.05 # jumping subtree containing (T0187)E226 jump= -0.10549 0.105423 0.916986 0.369993 -77.7015 23.7477 -12.978 # Removing break before 127 # jumping subtree containing (T0187)N159 jump= 0.0137586 -0.298468 0.918657 -0.258451 -54.7804 -41.3807 -35.139 # jumping subtree containing (T0187)I158 jump= 0.865282 -0.372051 -0.167046 0.291481 -52.8368 18.8134 -50.3435 # jumping subtree containing (T0187)N159 jump= 0.467653 0.311068 0.79397 -0.232699 -38.8262 -10.3365 -94.3217 # jumping subtree containing (T0187)E226 jump= 0.256011 0.00590336 -0.615529 0.745351 -166.544 -56.617 -26.1156 # jumping subtree containing (T0187)E226 jump= -0.545831 -0.39794 0.328106 -0.660347 -58.3483 -33.686 10.6242 # jumping subtree containing (T0187)R162 jump= -0.90197 0.0556451 -0.42017 -0.0825284 9.17344 30.597 -54.4588 # jumping subtree containing (T0187)G171 jump= -0.152307 -0.0642645 -0.861394 -0.480285 -112.955 5.71342 -13.6107 # jumping subtree containing (T0187)E226 jump= 0.809993 -0.427072 0.397856 0.0568469 -34.1054 -9.72511 -88.3009 # generation 59: best score out of 40: T0187.try1-al4 71.3934 cost/residue, 252 clashes 0.050018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 159 ## TwoFragment 24 ## CrossOver 88 ## CrossAndInsert 100 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 50 ## OptSubtree 1041 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)E134 jump= -0.143806 -0.0226013 0.707462 -0.691597 -119.534 -86.0085 -74.9891 # jumping subtree containing (T0187)E134 jump= -0.997569 0.0464877 0.0509108 0.0101464 -21.276 8.76748 3.52746 # jumping subtree containing (T0187)L191 jump= -0.804152 -0.536396 0.0200238 0.255378 16.5864 -58.9872 -0.16721 # jumping subtree containing (T0187)E226 jump= 0.372113 0.358154 0.783481 0.345564 -101.819 43.592 -30.0844 # jumping subtree containing (T0187)E134 jump= -0.856286 -0.116754 -0.403425 -0.300651 -31.2325 43.9833 0.227446 # jumping subtree containing (T0187)E134 jump= 0.940874 -0.331986 -0.0524028 0.0423693 -16.352 -2.12943 -23.0987 # jumping subtree containing (T0187)E134 jump= -0.51402 0.497295 0.541019 -0.44247 -54.9726 18.4861 -38.9961 # generation 60: best score out of 40: T0187.try1-al4 71.3934 cost/residue, 252 clashes 0.050018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 159 ## TwoFragment 24 ## CrossOver 90 ## CrossAndInsert 100 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 52 ## OptSubtree 1061 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= 0.683233 0.0354741 0.614013 0.3936 -48.3897 20.6473 -49.6271 # jumping subtree containing (T0187)Q142 jump= -0.890533 -0.422996 -0.162194 -0.0414647 11.4554 -22.8804 -31.5773 # jumping subtree containing (T0187)E134 jump= -0.991511 0.123399 -0.0395378 0.0107268 -24.5534 -1.31513 -22.9593 # jumping subtree containing (T0187)A180 jump= -0.996727 0.0596056 0.0521932 -0.0160907 -6.49488 -8.42955 -15.9167 # jumping subtree containing (T0187)N159 jump= 0.469801 0.436205 -0.767466 0.00292322 -82.9161 -58.3739 -14.7146 # jumping subtree containing (T0187)E134 jump= -0.981863 -0.0727005 0.0132228 0.174599 5.15687 -44.2451 -16.3317 # jumping subtree containing (T0187)Q142 jump= -0.104885 -0.559542 -0.767164 0.295586 -60.3786 35.8127 -40.8925 # jumping subtree containing (T0187)Q142 jump= -0.691626 -0.0891388 0.142531 0.70242 -57.9975 -48.873 26.2117 # jumping subtree containing (T0187)G171 jump= 0.823751 0.30835 -0.0923477 -0.466718 11.5213 -83.7083 8.07548 # jumping subtree containing (T0187)E134 jump= 0.279358 -0.222786 -0.0375048 -0.93323 10.6622 -97.2294 11.6941 # jumping subtree containing (T0187)E226 jump= 0.728069 0.43059 0.405806 0.346166 12.8076 17.2291 -10.9004 # jumping subtree containing (T0187)E218 jump= 0.995353 -0.0134342 -0.0767161 0.0566348 9.08803 -3.25422 -6.07136 # jumping subtree containing (T0187)E226 jump= -0.989496 0.0224926 -0.0969358 0.104862 -3.32977 -20.44 -23.4654 # jumping subtree containing (T0187)I158 jump= 0.923689 -0.153119 -0.343703 0.0722651 -5.81213 37.9497 46.2101 # jumping subtree containing (T0187)I141 jump= 0.288957 0.897601 0.0619252 0.327079 -36.9569 -44.4046 42.814 # jumping subtree containing (T0187)E134 jump= 0.998746 -0.0455806 -0.0172784 -0.0113911 -7.94388 9.11621 6.15414 # jumping subtree containing (T0187)P91 jump= 0.985646 0.0845224 0.143417 0.0280849 4.97067 15.5517 -9.6009 # jumping subtree containing (T0187)N114 jump= 0.0866701 -0.652128 0.611347 0.439854 -88.9674 -81.8842 -34.5266 # generation 61: best score out of 40: T0187.try1-al4 71.2615 cost/residue, 245 clashes 0.058302 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 159 ## TwoFragment 24 ## CrossOver 91 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 55 ## OptSubtree 1080 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E134 jump= 0.11241 -0.811956 0.0559881 0.57005 -92.9415 -155.699 -96.9362 # jumping subtree containing (T0187)Q142 jump= 0.963947 -0.164835 0.143384 -0.151909 8.01689 -57.1496 -25.4969 # jumping subtree containing (T0187)E134 jump= -0.688257 -0.720627 -0.0483736 -0.0682503 26.6674 -68.2977 35.5479 # jumping subtree containing (T0187)E134 jump= 0.783094 -0.23655 0.537676 -0.204239 -63.2546 -52.5698 -141.714 # jumping subtree containing (T0187)E226 jump= -0.542863 0.440515 0.373777 -0.609539 -124.5 85.7621 -61.7014 # jumping subtree containing (T0187)E226 jump= 0.101674 0.411455 0.169865 0.88967 -62.9343 -68.6782 39.4914 # jumping subtree containing (T0187)P91 jump= 0.84474 -0.515919 -0.0330705 -0.138378 24.735 7.70539 -12.9108 # generation 62: best score out of 40: T0187.try1-al4 71.2606 cost/residue, 245 clashes 0.0583021 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 160 ## TwoFragment 24 ## CrossOver 92 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 57 ## OptSubtree 1103 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V117 jump= 0.698744 0.610616 -0.264907 0.262164 -69.7022 -20.7309 94.4807 # jumping subtree containing (T0187)P205 jump= 0.995502 0.031313 -0.0787169 0.0424219 -26.9262 -16.9564 7.1129 # jumping subtree containing (T0187)P91 jump= -0.441934 0.557709 -0.266675 -0.650031 -131.472 -36.0781 -112.761 # jumping subtree containing (T0187)N159 jump= -0.493475 -0.552995 0.308319 0.596338 -24.7932 -130.125 48.1379 # jumping subtree containing (T0187)P91 jump= -0.770741 -0.0199295 -0.331769 -0.54359 -73.6646 -22.2033 5.56486 # jumping subtree containing (T0187)R176 jump= 0.992186 0.116439 0.00403139 -0.0446431 -14.0588 -6.22846 -14.1762 # jumping subtree containing (T0187)E134 jump= 0.99728 0.0577439 -0.0428875 0.0160713 16.4203 -1.37415 21.8311 # jumping subtree containing (T0187)F129 jump= -0.37238 -0.227258 -0.877441 -0.199459 -32.8296 28.0172 -16.291 # jumping subtree containing (T0187)E134 jump= 0.959095 0.12734 -0.252047 0.0198578 -25.5444 -18.6941 22.4413 # jumping subtree containing (T0187)L131 jump= 0.905188 0.331848 0.059899 -0.258695 42.2594 -33.6633 34.1535 # jumping subtree containing (T0187)E226 jump= -0.83547 0.0869647 0.52467 0.138377 -23.9737 -22.6713 13.6261 # generation 63: best score out of 40: T0187.try1-al4 71.2604 cost/residue, 245 clashes 0.058302 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 160 ## TwoFragment 24 ## CrossOver 92 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 61 ## OptSubtree 1132 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E134 jump= -0.552611 0.457117 0.596443 0.360445 7.65122 -10.7508 15.7716 # jumping subtree containing (T0187)E226 jump= -0.931699 -0.196356 -0.246064 0.181203 24.7029 -9.85255 -9.75552 # jumping subtree containing (T0187)E226 jump= 0.437223 -0.459786 0.764929 -0.110979 -95.6781 -65.3666 -121.707 # Removing break before 89 # jumping subtree containing (T0187)P205 jump= 0.937242 -0.1224 0.208725 0.251055 -41.8911 42.9724 -28.9849 # jumping subtree containing (T0187)F173 jump= 0.14053 0.315909 0.878422 -0.329889 -52.8269 -24.3308 -60.779 # jumping subtree containing (T0187)A180 jump= -0.962807 -0.179853 0.161847 -0.120252 -21.121 -26.0369 20.5768 # Removing break before 127 # jumping subtree containing (T0187)L131 jump= 0.979622 0.150946 0.045521 -0.124431 -8.33326 -25.1481 -3.42678 # jumping subtree containing (T0187)E134 jump= 0.848763 -0.204083 -0.118012 -0.473312 23.9306 -60.7376 17.6565 # jumping subtree containing (T0187)E134 jump= 0.979861 0.187735 0.0502041 -0.0459042 0.27118 -17.349 5.85351 # jumping subtree containing (T0187)E226 jump= 0.751378 -0.126126 -0.584559 -0.278951 -13.576 -5.30161 7.63534 # jumping subtree containing (T0187)E134 jump= 0.356024 0.271505 -0.257939 -0.856154 -38.324 -90.9426 28.6605 # jumping subtree containing (T0187)L118 jump= -0.244065 0.0796476 0.187762 0.948069 -25.9762 -111.25 -1.63584 # jumping subtree containing (T0187)A180 jump= 0.998772 0.0191901 0.0346271 0.0297967 13.4882 -4.93489 -0.447177 # jumping subtree containing (T0187)S126 jump= -0.991239 -0.11303 0.0652756 -0.0201932 -8.21344 16.2938 30.9466 # jumping subtree containing (T0187)P205 jump= -0.168144 0.511114 0.593386 0.59865 20.2872 -22.1849 15.9368 # generation 64: best score out of 40: T0187.try1-al4 71.2603 cost/residue, 245 clashes 0.0583021 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 160 ## TwoFragment 24 ## CrossOver 92 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 63 ## OptSubtree 1167 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I141 jump= -0.8326 0.253662 -0.456088 -0.185519 -24.0063 36.9156 -51.7519 # jumping subtree containing (T0187)S122 jump= -0.976759 0.0596489 0.0742704 -0.192008 -13.8819 5.1441 23.3475 # jumping subtree containing (T0187)E226 jump= -0.495128 -0.087617 0.829909 -0.241706 -141.958 -19.7668 -11.2631 # jumping subtree containing (T0187)A180 jump= 0.910104 0.248716 -0.330585 0.0237706 -17.4705 -19.8862 22.5349 # jumping subtree containing (T0187)L118 jump= -0.743107 -0.62604 -0.215097 -0.0979748 26.4553 -20.9617 20.2324 # jumping subtree containing (T0187)A180 jump= -0.780941 -0.365529 -0.402569 0.307341 42.5725 -45.7092 -13.5395 # jumping subtree containing (T0187)E134 jump= 0.182987 0.160842 0.938992 0.242776 -30.2147 38.1825 -36.6358 # jumping subtree containing (T0187)E226 jump= 0.659974 -0.568773 -0.444567 -0.208065 26.9802 -53.9518 -21.3302 # jumping subtree containing (T0187)E134 jump= -0.965355 -0.119118 -0.19774 -0.121655 -7.38287 -26.7726 -2.52516 # jumping subtree containing (T0187)I141 jump= -0.998803 0.0319696 0.0368397 -0.00362345 8.52027 1.53397 -14.0971 # jumping subtree containing (T0187)E218 jump= 0.915879 0.0637414 0.395364 -0.0281021 28.5201 -13.5805 -21.6361 # jumping subtree containing (T0187)E134 jump= -0.616587 0.680128 0.230849 0.32242 23.3784 -60.1288 -39.4208 # jumping subtree containing (T0187)E226 jump= 0.17231 0.743927 0.292494 0.575612 0.385941 -106.327 49.5381 # Removing break before 127 # generation 65: best score out of 40: T0187.try1-al4 71.2603 cost/residue, 245 clashes 0.0583019 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 160 ## TwoFragment 24 ## CrossOver 92 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 63 ## OptSubtree 1191 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E134 jump= -0.450203 -0.677543 -0.520635 -0.259213 26.598 -28.1391 -13.3279 # jumping subtree containing (T0187)E226 jump= 0.700101 0.358993 -0.511214 -0.345894 -32.8832 -81.5732 62.97 # Removing break before 68 # jumping subtree containing (T0187)E226 jump= -0.974806 -0.153438 -0.16001 0.0246482 -3.24351 -17.1516 23.8776 # jumping subtree containing (T0187)E226 jump= 0.758313 0.045858 0.599661 -0.251523 30.6448 -26.6487 -81.0257 # jumping subtree containing (T0187)E134 jump= -0.261783 0.425997 0.679368 0.53708 -13.0098 6.93612 25.355 # jumping subtree containing (T0187)E134 jump= -0.959382 0.0601794 0.142221 0.236089 0.879117 -7.32783 -15.03 # jumping subtree containing (T0187)I141 jump= -0.529116 -0.656599 -0.112748 0.525549 2.21927 -103.294 -11.8698 # jumping subtree containing (T0187)E226 jump= -0.530012 -0.00203909 0.841261 0.106599 -64.0981 -17.4404 1.96573 # jumping subtree containing (T0187)E134 jump= 0.828703 -0.257534 0.2589 -0.424145 18.4545 -55.5046 -55.7811 # jumping subtree containing (T0187)E134 jump= 0.464466 -0.591506 -0.13133 0.645867 -61.0826 -25.3751 -77.67 # generation 66: best score out of 40: T0187.try1-al4 71.2468 cost/residue, 247 clashes 0.0652155 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 161 ## TwoFragment 24 ## CrossOver 92 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 64 ## OptSubtree 1213 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I141 jump= -0.113756 -0.785396 0.39586 -0.462069 -47.7233 -167.712 -42.3845 # jumping subtree containing (T0187)E134 jump= 0.982109 -0.119189 0.0558189 -0.134686 -7.36642 -1.21833 1.9011 # jumping subtree containing (T0187)S126 jump= 0.921564 -0.163718 -0.129375 -0.327382 46.785 -22.0892 10.2248 # jumping subtree containing (T0187)E226 jump= 0.930277 -0.0547056 0.171034 0.319905 -74.0556 26.5111 -1.73437 # jumping subtree containing (T0187)E226 jump= -0.927216 -0.0858246 -0.362369 0.0399049 31.925 -10.6339 -41.5834 # jumping subtree containing (T0187)A180 jump= -0.523907 -0.145706 -0.816054 -0.195825 -28.5052 37.6442 -44.0778 # jumping subtree containing (T0187)E226 jump= 0.274518 -0.19865 0.895877 -0.287372 -83.5768 -38.1595 -94.5178 # generation 67: best score out of 40: T0187.try1-al4 71.2468 cost/residue, 247 clashes 0.0652155 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 161 ## TwoFragment 24 ## CrossOver 93 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 64 ## OptSubtree 1236 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.939007 0.215242 -0.147461 0.224036 -38.9006 -0.200099 49.5147 # jumping subtree containing (T0187)E226 jump= 0.52262 0.618885 -0.219959 0.543569 -83.0795 -102.58 44.1448 # jumping subtree containing (T0187)E226 jump= -0.806847 -0.185915 -0.472854 -0.301401 -55.1305 3.56421 6.99087 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)N159 jump= -0.394297 -0.394047 -0.407297 0.72344 15.7099 -126.848 -72.6001 # jumping subtree containing (T0187)E134 jump= 0.113165 0.17465 0.620988 0.755689 -75.4835 -24.5428 37.8821 # jumping subtree containing (T0187)A180 jump= 0.649397 0.40209 0.597372 -0.244447 -38.326 -21.5331 -76.8216 # jumping subtree containing (T0187)E134 jump= -0.999802 0.00611318 -0.0186908 -0.0030806 -20.1826 -14.2727 -0.887085 # jumping subtree containing (T0187)R162 jump= 0.534057 -0.682534 0.139052 0.47916 -55.2036 -55.0563 -79.4403 # generation 68: best score out of 40: T0187.try1-al4 71.2467 cost/residue, 247 clashes 0.0652155 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 161 ## TwoFragment 24 ## CrossOver 93 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 65 ## OptSubtree 1267 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= -0.842426 0.372286 0.160604 0.354863 38.0812 -57.1281 -4.28064 # jumping subtree containing (T0187)E134 jump= -0.176945 0.530509 -0.233928 -0.795317 -93.5987 -103.176 -38.8368 # jumping subtree containing (T0187)E226 jump= 0.998536 0.000534409 -0.0447395 0.0303919 -14.2416 29.5057 3.02893 # jumping subtree containing (T0187)E134 jump= 0.994607 0.0058628 -0.0480236 0.0917356 -0.0111532 -10.9154 -7.22702 # jumping subtree containing (T0187)A180 jump= -0.877313 0.0841419 -0.42244 0.211628 6.52871 -43.9344 -32.7082 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= -0.351703 -0.627244 -0.616852 -0.319943 8.33801 -56.3625 37.8096 # jumping subtree containing (T0187)N159 jump= -0.0352295 0.463101 0.32181 0.825067 3.18521 -103.665 56.5048 # jumping subtree containing (T0187)E134 jump= -0.995078 0.0901292 -0.0318034 0.0261908 29.0904 4.88984 -4.23368 # jumping subtree containing (T0187)P91 jump= 0.823056 0.162026 -0.359829 0.408472 -80.2186 14.5729 21.4866 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)L131 jump= -0.676104 -0.324919 -9.12384e-05 0.661295 3.948 -106.401 9.81686 # jumping subtree containing (T0187)E218 jump= 0.18534 0.681395 0.418892 0.570858 7.12412 -72.4578 59.3079 # jumping subtree containing (T0187)E134 jump= -0.535294 0.110309 -0.639374 0.540827 -21.4515 -64.6152 -91.9434 # jumping subtree containing (T0187)E226 jump= -0.926123 -0.0229717 0.134943 -0.351509 -87.5355 -1.67792 20.3995 # generation 69: best score out of 40: T0187.try1-al4 71.2467 cost/residue, 247 clashes 0.0652154 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 161 ## TwoFragment 24 ## CrossOver 93 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 69 ## OptSubtree 1287 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R162 jump= 0.296381 0.200337 -0.659159 -0.661462 -53.4314 -51.1779 33.6733 # jumping subtree containing (T0187)E134 jump= 0.357606 0.0611341 -0.545115 0.755797 -95.6478 -98.2511 -72.8309 # jumping subtree containing (T0187)E134 jump= -0.826394 0.388595 0.341745 -0.221985 -31.1207 -13.7224 -69.731 # jumping subtree containing (T0187)E134 jump= 0.74209 -0.0197686 0.281214 0.608136 -53.7688 2.70318 19.4185 # jumping subtree containing (T0187)L131 jump= -0.941588 0.296019 0.116147 -0.110878 -34.8366 -10.8115 -71.8221 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= 0.607537 0.218061 -0.375203 -0.66526 -7.94599 -120.354 69.0954 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E134 jump= 0.898302 -0.344182 -0.27311 0.00193863 -16.7647 14.3742 -12.3693 # jumping subtree containing (T0187)E134 jump= 0.842234 0.231585 0.410425 -0.261842 55.6481 -73.8751 -31.997 # jumping subtree containing (T0187)E134 jump= -0.128582 0.414368 0.897472 0.079438 -10.9648 0.429707 -25.1101 # jumping subtree containing (T0187)E134 jump= 0.113232 0.143433 0.619417 -0.763498 -25.4254 -100.715 -53.4763 # jumping subtree containing (T0187)R162 jump= 0.57056 0.769584 0.251468 -0.137715 41.2011 -89.3458 11.5392 # generation 70: best score out of 40: T0187.try1-al4 71.2467 cost/residue, 247 clashes 0.0652154 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 161 ## TwoFragment 24 ## CrossOver 93 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 69 ## OptSubtree 1311 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E134 jump= -0.996622 -0.0815545 -0.00900552 -0.00360591 -4.46546 -1.10159 4.51839 # jumping subtree containing (T0187)P205 jump= 0.02752 0.625174 -0.735466 -0.259788 -156.394 -96.8058 -73.9703 # jumping subtree containing (T0187)E226 jump= 0.0399461 0.636296 0.306888 -0.706648 -35.5872 -138.43 -86.8478 # jumping subtree containing (T0187)N159 jump= -0.290384 0.771834 0.541479 0.163554 29.7608 -67.4252 -45.2206 # jumping subtree containing (T0187)E134 jump= 0.339297 -0.887666 -0.0817316 -0.300411 10.2405 -78.6422 -59.0285 # jumping subtree containing (T0187)N159 jump= 0.996188 -0.030362 0.0814055 -0.00780268 -4.25031 -24.4035 -17.3937 # jumping subtree containing (T0187)E226 jump= 0.898313 0.114401 0.307888 -0.291807 33.9547 -20.5959 -9.57022 # jumping subtree containing (T0187)E134 jump= -0.0197453 -0.774484 -0.292347 0.56064 -11.7345 -91.1104 -99.8402 # jumping subtree containing (T0187)Q142 jump= 0.997441 -0.0684028 -0.0166746 -0.0124165 12.2022 19.3791 -4.75984 # jumping subtree containing (T0187)G171 jump= -0.826786 0.495236 0.193174 -0.183984 -10.6535 -13.4558 -94.2915 # jumping subtree containing (T0187)E226 jump= -0.70846 -0.47916 0.0811353 -0.511769 -77.0449 -76.2991 50.6603 # jumping subtree containing (T0187)E134 jump= -0.999153 -0.0299303 -0.0156013 -0.0235545 6.51467 23.7578 10.6054 # generation 71: best score out of 40: T0187.try1-al4 71.2467 cost/residue, 247 clashes 0.0652154 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 161 ## TwoFragment 24 ## CrossOver 95 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 69 ## OptSubtree 1333 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E218 jump= -0.039008 0.0117045 -0.521497 0.85228 -93.9147 -119.898 -85.1119 # jumping subtree containing (T0187)E139 jump= -0.964737 0.146252 -0.152084 -0.157367 -6.80964 12.1948 -35.9563 # jumping subtree containing (T0187)E134 jump= -0.996278 0.0599693 -0.0598501 0.0158472 18.5896 -8.24865 -31.7631 # jumping subtree containing (T0187)Q142 jump= -0.73448 0.43271 -0.426708 -0.302029 -81.8503 4.83923 -65.9398 # jumping subtree containing (T0187)E139 jump= -0.713121 0.0163356 -0.690903 0.117663 32.8874 -9.94156 -79.3055 # jumping subtree containing (T0187)E226 jump= 0.884412 -0.302006 0.349051 -0.0690698 -11.9892 -17.2869 -85.8325 # jumping subtree containing (T0187)E134 jump= 0.997336 -0.0653912 0.0234377 -0.0222552 30.6604 10.293 -0.104838 # jumping subtree containing (T0187)E134 jump= -0.989888 -0.0726079 0.0064801 0.12169 11.7338 -7.49875 9.43229 # jumping subtree containing (T0187)E134 jump= 0.267271 -0.87936 -0.309775 0.243579 21.4383 -142.197 -128.057 # jumping subtree containing (T0187)E139 jump= 0.8683 0.0949579 -0.341237 0.347268 -77.7146 -25.4403 -25.3352 # jumping subtree containing (T0187)E134 jump= 0.41405 0.157085 -0.365937 0.818521 -96.3854 -115.864 -41.8909 # Removing break before 89 # jumping subtree containing (T0187)E226 jump= 0.65522 0.083342 -0.13682 0.738255 -100.81 -40.8341 11.1411 # jumping subtree containing (T0187)G171 jump= -0.103245 0.370781 0.744907 -0.544954 -38.6814 -65.4508 -127.518 # jumping subtree containing (T0187)E134 jump= -0.986808 0.103367 0.10382 0.0688939 -0.21219 -14.5094 -24.839 # generation 72: best score out of 40: T0187.try1-al4 71.2466 cost/residue, 247 clashes 0.0652155 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 161 ## TwoFragment 24 ## CrossOver 95 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 71 ## OptSubtree 1355 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E218 jump= 0.525644 -0.488406 -0.156079 0.678821 -95.021 -78.8095 -57.1667 # jumping subtree containing (T0187)Q142 jump= -0.433708 0.0362184 -0.825496 0.359363 -85.9884 -58.6061 -82.5447 # jumping subtree containing (T0187)E218 jump= 0.999628 0.00234101 -0.0112986 0.0247123 -16.1207 -22.5901 -12.5334 # jumping subtree containing (T0187)E226 jump= -0.192258 -0.126438 -0.650913 -0.723439 -134.894 -26.4314 75.0168 # jumping subtree containing (T0187)E139 jump= -0.455342 0.0720517 -0.810879 -0.360483 -64.4789 -13.5475 5.15105 # jumping subtree containing (T0187)G124 jump= 0.792845 0.321915 0.286494 0.430916 -74.929 -29.718 45.5163 # jumping subtree containing (T0187)R162 jump= 0.636737 -0.545123 -0.257616 -0.480667 46.3736 -42.0609 -47.021 # jumping subtree containing (T0187)P205 jump= -0.00499766 0.156967 0.491537 0.856579 -80.8907 -92.4505 58.3274 # jumping subtree containing (T0187)E139 jump= -0.461993 -0.436963 -0.72441 -0.26619 31.9745 -51.7863 2.28619 # jumping subtree containing (T0187)H239 jump= -0.917677 -0.366076 -0.0367387 0.150028 34.0646 -54.1875 35.1102 # jumping subtree containing (T0187)L131 jump= 0.970943 -0.238231 0.00355971 0.022425 -6.90538 -13.9186 -42.9088 # jumping subtree containing (T0187)E139 jump= -0.83288 -0.416458 -0.15652 -0.329204 -24.9732 -58.9752 50.7484 # jumping subtree containing (T0187)E139 jump= -0.87937 -0.196041 -0.0485992 0.431178 68.9706 -58.3238 16.0811 # generation 73: best score out of 40: T0187.try1-al4 71.2466 cost/residue, 247 clashes 0.0652155 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 161 ## TwoFragment 24 ## CrossOver 95 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 72 ## OptSubtree 1378 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.249465 0.793335 0.0627346 -0.55177 -60.4745 -77.981 -91.543 # jumping subtree containing (T0187)L131 jump= -0.292146 -0.755488 0.56401 0.160568 -106.346 -144.383 40.1871 # jumping subtree containing (T0187)K181 jump= -0.821415 0.3824 0.384619 0.176401 36.8335 -21.239 -34.1233 # jumping subtree containing (T0187)V161 jump= 0.982951 0.0642011 -0.0169073 0.171461 -35.9102 -19.6444 6.86338 # jumping subtree containing (T0187)E226 jump= 0.0897214 -0.032609 -0.0437442 0.994471 -131.012 -169.68 -31.2147 # Removing break before 89 # jumping subtree containing (T0187)P91 jump= -0.0684906 -0.147926 -0.95434 0.250323 -18.6293 -15.6405 -70.7168 # jumping subtree containing (T0187)E226 jump= 0.904138 0.124244 -0.198584 -0.3573 32.604 -49.2801 30.9456 # generation 74: best score out of 40: T0187.try1-al4 71.2466 cost/residue, 247 clashes 0.0652155 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 161 ## TwoFragment 24 ## CrossOver 96 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 72 ## OptSubtree 1401 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H239 jump= 0.928254 0.220348 0.221034 0.202325 -8.12534 -27.5152 7.3545 # jumping subtree containing (T0187)S225 jump= 0.469977 0.0521391 -0.295321 0.830174 -201.119 -67.0127 -19.52 # Removing break before 127 # jumping subtree containing (T0187)H239 jump= -0.66526 -0.41438 -0.232054 0.576081 4.06035 -84.933 -17.0588 # jumping subtree containing (T0187)E140 jump= -0.998166 -0.0401656 0.0419898 -0.0169675 -27.1131 15.2838 10.553 # jumping subtree containing (T0187)L131 jump= -0.193149 -0.373768 -0.902424 -0.0928496 -59.1662 53.2724 -4.34722 # jumping subtree containing (T0187)A180 jump= 0.785185 -0.307488 0.46053 -0.277214 17.014 -16.9057 -81.9658 # jumping subtree containing (T0187)E226 jump= 0.484991 -0.430405 0.23642 0.72363 -164.548 -103.231 -59.5963 # jumping subtree containing (T0187)L131 jump= 0.503618 0.169157 -0.420534 0.735463 -140.499 -32.0294 15.6568 # jumping subtree containing (T0187)R162 jump= -0.970138 0.0333989 0.000642355 0.240244 32.5242 -37.7399 -17.948 # jumping subtree containing (T0187)R162 jump= 0.420974 -0.276366 -0.32562 0.800234 -74.7608 -95.0223 -82.173 # jumping subtree containing (T0187)L131 jump= 0.756766 0.545894 -0.347636 0.0919459 -47.0017 -26.047 95.807 # jumping subtree containing (T0187)H239 jump= 0.441493 0.326926 0.540702 0.63706 -17.9149 -11.8153 47.1151 # jumping subtree containing (T0187)E226 jump= 0.00341449 0.570007 -0.324429 -0.754868 -131.049 -190.824 -40.4081 # jumping subtree containing (T0187)E226 jump= -0.964881 -0.0858299 0.206366 0.138026 -11.4123 -17.4311 57.0519 # jumping subtree containing (T0187)E226 jump= -0.670822 -0.101259 -0.236961 0.695409 5.18658 -136.221 -69.2892 # generation 75: best score out of 40: T0187.try1-al4 71.2466 cost/residue, 247 clashes 0.0652154 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 161 ## TwoFragment 24 ## CrossOver 100 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 72 ## OptSubtree 1421 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.901237 0.433246 0.00549013 0.00633295 -13.5439 -54.7021 57.3041 # jumping subtree containing (T0187)L131 jump= 0.821095 -0.399044 0.4076 -0.0207199 -50.428 -17.7218 -77.7616 # jumping subtree containing (T0187)Q142 jump= -0.917232 -0.168654 0.358031 0.0453307 -22.1741 -17.3167 33.6566 # jumping subtree containing (T0187)L240 jump= -0.217017 0.762937 0.437921 -0.423149 -10.1297 -59.5729 -141.209 # jumping subtree containing (T0187)A180 jump= -0.996514 -0.0285011 0.0429976 0.0655585 -21.6335 -12.0168 -0.0457506 # jumping subtree containing (T0187)R162 jump= 0.934703 0.029871 -0.275371 -0.222732 3.22651 -27.7638 70.2668 # jumping subtree containing (T0187)R162 jump= 0.88225 -0.0328938 -0.212103 -0.419005 43.8016 -60.6209 19.5452 # jumping subtree containing (T0187)L131 jump= -0.998846 0.0361462 0.00566832 -0.0311231 -17.3375 8.53813 17.9296 # generation 76: best score out of 40: T0187.try1-al4 71.2466 cost/residue, 247 clashes 0.0652154 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 161 ## TwoFragment 24 ## CrossOver 105 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 72 ## OptSubtree 1440 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= 0.0785998 -0.174356 -0.927378 0.321546 -129.595 7.00037 -49.4433 # jumping subtree containing (T0187)E226 jump= -0.123721 -0.924543 0.35503 0.0621834 -72.1277 -183.968 0.0892754 # jumping subtree containing (T0187)E226 jump= -0.910163 -0.247439 -0.0446166 0.329221 26.8867 -93.463 6.72072 # jumping subtree containing (T0187)L131 jump= -0.957822 0.00268039 -0.173923 0.228738 12.3357 -34.3383 -46.1575 # jumping subtree containing (T0187)E113 jump= -0.980419 0.0349099 -0.140478 0.133514 1.92101 -26.7757 -0.760811 # jumping subtree containing (T0187)R162 jump= 0.801405 0.0269652 -0.159731 -0.575768 25.4711 -96.7086 51.2513 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G123 jump= -0.196633 -0.333346 -0.00811746 0.922036 -116.966 -150.881 -20.0686 # jumping subtree containing (T0187)N159 jump= 0.947703 -0.190668 0.247646 -0.0646169 11.4421 -27.7945 -58.7985 # jumping subtree containing (T0187)R162 jump= 0.902665 0.41335 0.102496 0.0619072 4.96456 -16.8035 24.9719 # jumping subtree containing (T0187)L240 jump= 0.346608 0.55027 0.750668 0.116462 14.7384 -27.7788 -34.3024 # jumping subtree containing (T0187)H239 jump= -0.474324 0.840482 -0.163106 -0.204947 -65.3174 -130.513 -124.424 # Removing break before 89 # generation 77: best score out of 40: T0187.try1-al4 71.2466 cost/residue, 247 clashes 0.0652158 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 161 ## TwoFragment 24 ## CrossOver 107 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 72 ## OptSubtree 1462 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= 0.859445 0.504824 0.0700954 0.0399234 -2.34091 -44.6636 33.2247 # jumping subtree containing (T0187)F129 jump= -0.814972 -0.322274 -0.345354 0.335695 18.1469 -60.4688 -64.8351 # jumping subtree containing (T0187)E226 jump= 0.57602 0.0494715 -0.478146 0.661158 -178.719 -15.6472 -5.26041 # jumping subtree containing (T0187)A180 jump= 0.201303 0.838627 -0.0334028 0.505041 -23.0512 -116.671 69.4169 # jumping subtree containing (T0187)P91 jump= 0.439437 0.823116 -0.349286 0.0858793 -47.7193 -150.023 71.42 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)P91 jump= -0.574245 -0.0510461 -0.703301 0.415939 -65.2461 -65.4781 -110.548 # jumping subtree containing (T0187)L131 jump= 0.657567 0.106773 -0.581735 0.46668 -125.55 2.82052 34.3356 # jumping subtree containing (T0187)S126 jump= -0.996284 -0.000337347 -0.0284812 -0.0812813 -16.2098 -10.7322 -10.5665 # jumping subtree containing (T0187)G171 jump= -0.545824 0.172253 -0.804828 -0.157026 -151.077 -9.90496 -65.9934 # jumping subtree containing (T0187)A180 jump= 0.036744 0.250271 0.67595 -0.692175 -133.509 -65.1935 -84.5488 # jumping subtree containing (T0187)H239 jump= -0.113203 0.603693 0.689384 0.384044 1.03131 -10.7181 15.5378 # jumping subtree containing (T0187)S154 jump= -0.538314 0.153512 -0.56391 0.607171 -36.0172 -115.345 -113.554 # Removing break before 40 # jumping subtree containing (T0187)A180 jump= -0.903841 -0.100653 -0.359029 0.209855 18.9193 -42.5282 -33.3216 # generation 78: best score out of 40: T0187.try1-al4 71.2465 cost/residue, 247 clashes 0.0652153 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 161 ## TwoFragment 24 ## CrossOver 112 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 72 ## OptSubtree 1482 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E218 jump= 0.254553 0.128753 0.924324 0.253476 -134.582 3.41717 12.4767 # jumping subtree containing (T0187)A180 jump= -0.887544 -0.194662 0.132452 -0.396016 -100.259 8.48706 41.3004 # jumping subtree containing (T0187)L191 jump= 0.425003 -0.642749 -0.153437 -0.61863 -34.5646 -135.996 80.448 # jumping subtree containing (T0187)G171 jump= 0.818406 0.153756 0.428264 -0.350944 20.8424 -54.2375 -84.2782 # jumping subtree containing (T0187)E226 jump= 0.998095 0.00231355 0.0604089 0.0123048 19.5914 -11.3438 7.47708 # Removing break before 89 # jumping subtree containing (T0187)H239 jump= 0.392881 0.791163 0.0371948 0.467249 -19.6722 -131.575 62.6739 # jumping subtree containing (T0187)A180 jump= 0.88979 0.174504 -0.293816 -0.302481 0.368706 -59.4831 59.0349 # Removing break before 89 # jumping subtree containing (T0187)E218 jump= -0.0525597 0.940908 -0.329284 0.0591686 -64.1126 -177.078 -49.3558 # jumping subtree containing (T0187)P205 jump= -0.999936 0.00108734 0.00992919 0.00524998 -9.14035 4.618 20.5164 # jumping subtree containing (T0187)R162 jump= 0.984022 0.141576 0.0565232 -0.09199 9.06672 -0.974581 16.8347 # generation 79: best score out of 40: T0187.try1-al4 71.2465 cost/residue, 247 clashes 0.0652153 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 161 ## TwoFragment 24 ## CrossOver 115 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 72 ## OptSubtree 1503 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= 0.997352 -0.042238 -0.0591209 -0.0032228 -18.7404 -1.34412 -3.36117 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= -0.946233 0.198944 0.23895 0.0892643 10.7274 12.5997 27.6433 # jumping subtree containing (T0187)E226 jump= 0.98658 0.109056 -0.00272462 0.121492 -2.92022 25.8354 10.9734 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= -0.840126 -0.356981 0.215475 0.346877 15.9748 -78.9029 50.3336 # jumping subtree containing (T0187)T116 jump= -0.837514 0.357555 -0.150875 -0.384658 -73.8442 20.9193 -96.4553 # jumping subtree containing (T0187)E226 jump= 0.502953 0.116101 -0.248636 -0.819597 -65.9413 -153.549 23.941 # jumping subtree containing (T0187)E226 jump= -0.820043 -0.239039 0.29866 0.425666 15.8559 -121.759 58.5114 # jumping subtree containing (T0187)E218 jump= 0.251492 0.684958 0.255426 0.634304 -45.2776 -84.9631 96.6052 # Removing break moved up 3 to before 54 # generation 80: best score out of 40: T0187.try1-al4 71.2447 cost/residue, 247 clashes 0.0677054 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 162 ## TwoFragment 24 ## CrossOver 120 ## CrossAndInsert 100 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 72 ## OptSubtree 1521 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= 0.990612 0.0237926 -0.0791518 -0.108888 13.0831 -34.8156 34.102 # jumping subtree containing (T0187)G171 jump= 0.601536 -0.667779 0.253833 0.357483 -86.7008 -36.5652 -153.194 # jumping subtree containing (T0187)Q142 jump= -0.782259 -0.0826915 0.581777 -0.206806 -129.989 16.7628 87.0325 # jumping subtree containing (T0187)G171 jump= -0.778767 0.370199 0.347913 -0.36801 -42.6896 39.4809 -22.1436 # jumping subtree containing (T0187)P91 jump= 0.11036 -0.806123 0.301583 0.497025 -103.904 -162.276 -77.9388 # jumping subtree containing (T0187)G125 jump= -0.825534 0.095984 0.239591 0.501874 5.18706 -92.5336 30.0535 # jumping subtree containing (T0187)E226 jump= 0.433071 0.337715 -0.53309 0.643594 -158.128 -67.1908 36.7868 # jumping subtree containing (T0187)A180 jump= 0.802212 0.15566 0.566605 0.105763 -55.856 49.5832 -51.8624 # jumping subtree containing (T0187)P205 jump= 0.326729 0.384714 0.811655 0.294039 -89.3178 47.4111 -21.712 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)N159 jump= 0.52904 -0.267476 -0.31586 -0.740814 -92.8639 -133.202 74.725 # jumping subtree containing (T0187)L217 jump= 0.906016 0.315315 -0.28223 0.00755836 -9.68538 -48.1643 63.5662 # jumping subtree containing (T0187)P91 jump= -0.743137 0.271283 0.455456 0.408306 -8.12293 -53.073 49.5128 # Removing break moved up 3 to before 54 # generation 81: best score out of 40: T0187.try1-al4 71.1253 cost/residue, 248 clashes 0.0669562 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 163 ## TwoFragment 24 ## CrossOver 122 ## CrossAndInsert 101 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 74 ## OptSubtree 1545 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= -0.121698 0.888117 0.155892 0.414891 -28.9794 -73.3281 54.6887 # jumping subtree containing (T0187)L191 jump= -0.999552 -0.00988419 -0.0267586 -0.00903984 -10.0096 4.2229 20.0231 # jumping subtree containing (T0187)E218 jump= 0.581234 -0.10911 -0.490553 0.640015 -153.272 29.2474 -29.7618 # jumping subtree containing (T0187)E226 jump= 0.9847 -0.0672532 0.0292794 0.158066 -40.5533 5.279 -17.5569 # jumping subtree containing (T0187)E226 jump= 0.519784 -0.191191 -0.320965 -0.768279 -69.0018 -158.372 62.3426 # jumping subtree containing (T0187)Q142 jump= -0.540721 -0.0968542 -0.833987 0.0520078 -55.1046 1.70239 -97.5704 # jumping subtree containing (T0187)G171 jump= -0.868648 -0.4574 0.131564 0.137572 -1.14106 -68.9139 47.6619 # generation 82: best score out of 40: T0187.try1-al4 71.1253 cost/residue, 248 clashes 0.0669562 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 163 ## TwoFragment 24 ## CrossOver 122 ## CrossAndInsert 101 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 76 ## OptSubtree 1579 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E134 jump= 0.773649 -0.398838 -0.471641 0.141245 -72.0779 61.8966 -22.7125 # jumping subtree containing (T0187)E226 jump= -0.999481 -0.0145293 -0.00431172 -0.0284105 6.62747 7.0167 19.9332 # jumping subtree containing (T0187)E226 jump= -0.0084296 -0.946726 -0.266666 -0.180354 -8.23573 -93.5538 30.8677 # jumping subtree containing (T0187)G124 jump= -0.999512 0.0222752 0.0108099 -0.0190281 -22.9376 17.4899 -18.9807 # jumping subtree containing (T0187)E226 jump= -0.766872 0.369383 -0.509661 -0.125337 -65.3215 -47.2039 -119.179 # jumping subtree containing (T0187)E226 jump= -0.622936 -0.338605 0.69534 -0.11747 -122.247 -39.2057 114.01 # jumping subtree containing (T0187)E226 jump= 0.811635 0.187812 -0.445333 -0.328106 -33.8916 -77.4747 115.634 # jumping subtree containing (T0187)E226 jump= 0.510795 0.567255 0.527936 -0.372282 2.81899 -55.3811 -59.8902 # jumping subtree containing (T0187)L131 jump= -0.563248 0.251894 -0.677394 0.400549 -96.6832 -106.35 -142.929 # jumping subtree containing (T0187)A180 jump= 0.840745 0.123275 0.392325 -0.352183 32.2319 -64.2947 -74.4287 # jumping subtree containing (T0187)E134 jump= -0.728383 -0.648832 -0.206962 0.0751148 22.8019 -49.8862 25.2809 # generation 83: best score out of 40: T0187.try1-al4 71.1252 cost/residue, 248 clashes 0.066956 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 163 ## TwoFragment 24 ## CrossOver 122 ## CrossAndInsert 101 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 77 ## OptSubtree 1614 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 127 # jumping subtree containing (T0187)E226 jump= -0.709943 -0.144698 -0.343386 -0.597603 -155.08 37.309 1.62905 # jumping subtree containing (T0187)N159 jump= -0.444105 0.612956 -0.639546 -0.134302 -130.902 -103.051 -158.594 # jumping subtree containing (T0187)G171 jump= 0.228533 0.839737 -0.14848 0.469646 -82.2551 -153.343 84.9273 # jumping subtree containing (T0187)V136 jump= 0.12378 -0.609144 0.545761 -0.561931 -147.956 -191.244 -37.0395 # jumping subtree containing (T0187)E226 jump= 0.876793 -0.208789 0.428819 0.0612732 -44.3992 12.634 -79.8097 # jumping subtree containing (T0187)E134 jump= 0.999961 0.00507481 0.00297457 0.00658669 -23.0567 15.8496 -3.86687 # jumping subtree containing (T0187)A180 jump= -0.456744 -0.317843 -0.826869 0.0815327 -47.8287 8.53531 -102.206 # jumping subtree containing (T0187)P91 jump= 0.930176 -0.0981968 -0.345799 -0.0745196 -6.94008 -18.5889 50.2983 # jumping subtree containing (T0187)Q142 jump= 0.19025 -0.336475 -0.878006 -0.282304 -147.329 25.9619 37.5547 # jumping subtree containing (T0187)N159 jump= -0.727624 -0.025558 -0.684341 0.0398444 -66.8595 0.906997 -92.0999 # jumping subtree containing (T0187)A174 jump= -0.43715 -0.775776 -0.0803733 -0.447896 -45.678 -61.41 116.701 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)N159 jump= -0.974971 -0.0738734 0.203836 0.0492486 -15.4347 7.14441 64.9314 # jumping subtree containing (T0187)N159 jump= 0.921761 0.228894 0.306789 -0.0620077 10.4775 -22.6833 -18.1036 # jumping subtree containing (T0187)G124 jump= 0.660813 0.293769 -0.263485 -0.638436 -17.935 -217.431 85.6161 # jumping subtree containing (T0187)E226 jump= 0.0417374 -0.290733 -0.607172 0.738292 -174.603 -50.3214 -103.603 # jumping subtree containing (T0187)E226 jump= 0.428538 -0.305225 -0.13807 -0.839124 -91.2838 -143.551 36.5819 # generation 84: best score out of 40: T0187.try1-al4 71.1252 cost/residue, 248 clashes 0.066956 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 163 ## TwoFragment 24 ## CrossOver 123 ## CrossAndInsert 101 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 79 ## OptSubtree 1635 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N159 jump= 0.631921 -0.384201 -0.374681 0.559178 -119.972 27.085 -43.4912 # jumping subtree containing (T0187)N159 jump= -0.73763 -0.163696 -0.59687 0.26991 -26.8465 -21.4583 -85.7454 # jumping subtree containing (T0187)E226 jump= -0.333721 0.366064 -0.572888 0.653014 -118.285 -166.482 -72.6879 # jumping subtree containing (T0187)E226 jump= 0.515357 0.58249 -0.539531 0.32252 -155.503 -82.7796 97.871 # jumping subtree containing (T0187)N159 jump= 0.678306 0.38314 -0.548554 -0.303634 -94.2245 -125.633 91.747 # jumping subtree containing (T0187)P91 jump= 0.321551 -0.530967 0.577448 0.530314 -195.719 -83.6656 -97.6733 # jumping subtree containing (T0187)N159 jump= -0.882126 -0.0175837 0.140968 0.44908 -18.3483 -95.3601 43.2274 # jumping subtree containing (T0187)N159 jump= 0.994511 0.0940967 0.000143698 -0.0457618 19.1118 0.377344 14.5877 # jumping subtree containing (T0187)N159 jump= 0.52341 -0.65851 -0.483687 0.241773 -62.777 36.9148 -37.8508 # jumping subtree containing (T0187)P205 jump= -0.264175 -0.81681 0.411618 0.305948 -66.948 -187.982 54.3353 # generation 85: best score out of 40: T0187.try1-al4 71.1123 cost/residue, 247 clashes 0.0796925 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 164 ## TwoFragment 24 ## CrossOver 128 ## CrossAndInsert 101 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 79 ## OptSubtree 1653 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P237 jump= -0.879749 0.0316637 -0.0152069 -0.47414 -56.9604 28.7346 -12.7769 # jumping subtree containing (T0187)E226 jump= -0.984128 0.0673411 0.160477 0.0346986 -25.5158 -0.226942 26.0754 # jumping subtree containing (T0187)E226 jump= 0.664279 0.091704 0.242584 0.701054 -139.062 32.9449 14.9967 # jumping subtree containing (T0187)E226 jump= -0.374211 -0.690041 0.566173 0.251513 -113.239 -187.558 54.5431 # jumping subtree containing (T0187)N159 jump= 0.161028 0.965888 -0.082423 0.185302 -37.8293 -149.612 72.8191 # jumping subtree containing (T0187)E226 jump= -0.56962 -0.643368 -0.48416 0.164923 12.4976 -46.1913 -43.1217 # Removing break before 89 # jumping subtree containing (T0187)N159 jump= 0.887056 -0.440432 0.13077 0.0452849 7.91929 -17.7972 -89.3527 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)R162 jump= 0.545277 -0.498229 -0.075898 0.669836 -129.747 -0.121397 -85.9851 # jumping subtree containing (T0187)E226 jump= 0.758811 -0.140527 0.267519 -0.576967 2.20882 -128.406 -33.611 # jumping subtree containing (T0187)E218 jump= 0.480497 -0.162669 -0.510214 -0.694509 -96.6077 -103.46 103.085 # generation 86: best score out of 40: T0187.try1-al4 71.1123 cost/residue, 247 clashes 0.0796925 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 164 ## TwoFragment 24 ## CrossOver 129 ## CrossAndInsert 101 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 79 ## OptSubtree 1680 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= 0.985533 -0.0190169 0.028765 -0.165936 34.5646 -28.5689 -11.4779 # jumping subtree containing (T0187)P205 jump= 0.49049 -0.709547 -0.0481568 -0.503631 24.4616 -111.18 22.0628 # jumping subtree containing (T0187)P205 jump= 0.64368 -0.691803 -0.121618 -0.3038 21.9489 -100.355 24.0013 # Removing break before 127 # jumping subtree containing (T0187)G123 jump= -0.913972 -0.116927 0.180515 0.344089 23.5002 -115.235 61.0855 # jumping subtree containing (T0187)P237 jump= 0.51282 0.209497 -0.159189 -0.817182 -79.5217 -145.705 9.6123 # jumping subtree containing (T0187)S137 jump= -0.981652 -0.124381 0.116887 0.0850092 14.2767 -23.0096 49.5615 # jumping subtree containing (T0187)Q142 jump= -0.882766 0.32832 -0.191267 -0.276311 -65.952 20.0894 -107.579 # jumping subtree containing (T0187)E226 jump= -0.377209 0.821689 -0.00436558 -0.427226 -57.062 -106.49 -120.091 # jumping subtree containing (T0187)E226 jump= -0.325495 -0.410543 0.788806 0.321392 -160.668 -83.3698 82.9748 # jumping subtree containing (T0187)E226 jump= 0.513134 0.38921 0.745671 0.170832 -74.5796 65.5656 -18.3162 # jumping subtree containing (T0187)P237 jump= 0.312052 -0.150906 -0.486647 -0.801889 -71.7949 -99.5572 73.6789 # jumping subtree containing (T0187)E226 jump= -0.49609 0.182196 0.691689 -0.492205 -160.71 12.9967 -24.0688 # jumping subtree containing (T0187)E226 jump= -0.618207 -0.255167 0.652402 0.356485 -72.5602 -81.4276 92.8007 # jumping subtree containing (T0187)P205 jump= 0.995095 0.022717 -0.0717653 0.0641878 -32.0852 -4.31687 27.0419 # jumping subtree containing (T0187)E226 jump= -0.937098 -0.114127 0.0422415 0.327168 16.9877 -47.2789 4.79421 # jumping subtree containing (T0187)P91 jump= -0.749562 -0.351874 -0.481211 -0.28771 -22.8585 -1.12831 37.9395 # jumping subtree containing (T0187)D206 jump= -0.53337 -0.249587 0.771777 -0.239967 -213.496 -62.4842 105.525 # generation 87: best score out of 40: T0187.try1-al4 70.9791 cost/residue, 245 clashes 0.0680377 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 164 ## TwoFragment 24 ## CrossOver 129 ## CrossAndInsert 102 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 81 ## OptSubtree 1711 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P237 jump= -0.955143 -0.0451597 0.0919696 -0.277858 -40.2263 57.6147 28.5321 # jumping subtree containing (T0187)E226 jump= 0.406794 -0.650001 -0.571984 0.291293 -69.4961 49.7939 -52.1282 # Removing break before 68 # jumping subtree containing (T0187)P237 jump= 0.525355 -0.803372 -0.276002 0.049181 16.4076 -16.9432 -13.4513 # jumping subtree containing (T0187)Q142 jump= -0.563126 -0.507865 0.573773 0.30943 -119.528 -137.332 29.009 # jumping subtree containing (T0187)E226 jump= -0.743059 -0.527737 -0.405757 -0.0686876 -4.04325 -16.1233 -26.3228 # jumping subtree containing (T0187)L217 jump= 0.766857 0.427418 0.0770356 0.472556 -70.7662 31.7526 55.1174 # jumping subtree containing (T0187)L131 jump= 0.296993 0.0985687 0.552408 -0.772609 -139.168 -124.028 -121.46 # jumping subtree containing (T0187)E218 jump= -0.918755 -0.02481 -0.278388 0.27888 14.1836 -77.5305 -74.2477 # jumping subtree containing (T0187)D206 jump= -0.8014 0.145045 -0.0435684 0.578638 -3.04454 -88.4811 -19.8889 # jumping subtree containing (T0187)E226 jump= -0.984094 -0.0700346 -0.138907 0.0857841 20.7201 -0.155754 3.48004 # jumping subtree containing (T0187)E226 jump= 0.775376 0.358035 -0.515035 0.0730905 -77.1836 -45.947 109.57 # jumping subtree containing (T0187)P237 jump= 0.446216 -0.274166 0.0485801 -0.850508 -103.132 -171.187 -0.318626 # jumping subtree containing (T0187)P237 jump= -0.781966 -0.485021 0.299379 -0.252302 -84.3154 -12.0026 76.2131 # jumping subtree containing (T0187)E226 jump= -0.882101 -0.281006 0.312481 -0.212814 -58.1878 11.6616 127.236 # jumping subtree containing (T0187)R172 jump= -0.611496 0.0965745 -0.00416325 -0.785321 -190.224 -19.7694 -35.3075 # generation 88: best score out of 40: T0187.try1-al4 70.9791 cost/residue, 245 clashes 0.0680377 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 165 ## TwoFragment 24 ## CrossOver 129 ## CrossAndInsert 102 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 84 ## OptSubtree 1738 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= 0.671113 -0.537916 0.510152 -0.000451632 -92.1843 -81.4527 -173.397 # jumping subtree containing (T0187)E95 jump= -0.669152 0.739518 0.0407387 0.0607322 26.2985 -109.811 -57.7469 # jumping subtree containing (T0187)Q142 jump= -0.988694 -0.137961 -0.0345484 -0.0475039 17.261 16.6222 2.67092 # jumping subtree containing (T0187)E134 jump= 0.956429 -0.0402166 -0.12171 0.262321 -61.0907 45.306 39.2996 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= 0.256439 0.351653 0.641836 0.631368 -185.316 -13.3865 97.1256 # jumping subtree containing (T0187)F173 jump= -0.808946 -0.405303 0.404008 0.134584 -35.717 -70.5527 148.45 # jumping subtree containing (T0187)Q142 jump= 0.491656 0.0722123 0.334443 -0.800754 -108.234 -142.96 -53.0201 # jumping subtree containing (T0187)A180 jump= 0.981999 0.0267542 -0.0546586 -0.178812 14.139 -66.002 16.8302 # generation 89: best score out of 40: T0187.try1-al4 70.9789 cost/residue, 245 clashes 0.0680375 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 165 ## TwoFragment 24 ## CrossOver 129 ## CrossAndInsert 102 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 84 ## OptSubtree 1771 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= -0.605715 0.274945 -0.102285 -0.73963 -219.316 24.2328 -66.8829 # jumping subtree containing (T0187)A180 jump= 0.701742 0.36643 -0.429256 -0.434772 -61.4929 -140.353 50.4348 # jumping subtree containing (T0187)E175 jump= -0.998556 0.0528669 0.0089802 0.00333078 4.69472 -22.4422 -15.5374 # jumping subtree containing (T0187)E113 jump= 0.188434 -0.136271 0.613369 0.754785 -252.753 -48.1169 -14.6405 # jumping subtree containing (T0187)N159 jump= -0.828191 0.482916 -0.018213 -0.283831 -64.6147 25.3748 -62.5265 # jumping subtree containing (T0187)A180 jump= -0.966287 0.256803 0.0169934 -0.00724414 -2.1969 -3.33719 -35.9672 # jumping subtree containing (T0187)S151 jump= 0.924436 -0.131163 0.35277 -0.0613822 -13.033 -30.905 -75.1925 # jumping subtree containing (T0187)E175 jump= 0.890282 0.10019 0.18199 0.405264 -69.3443 71.9194 -9.30005 # jumping subtree containing (T0187)E113 jump= 0.608243 0.596344 0.204092 0.482453 -79.9071 -73.4116 100.997 # jumping subtree containing (T0187)Q142 jump= 0.811528 0.0693762 0.579439 0.0293223 -64.195 18.0436 -85.8122 # jumping subtree containing (T0187)E113 jump= 0.159263 -0.283777 -0.541948 -0.774854 -156.674 -64.7156 137.389 # jumping subtree containing (T0187)E218 jump= -0.250519 -0.760623 0.0638369 -0.595497 -105.655 -126.213 123.505 # jumping subtree containing (T0187)G171 jump= -0.298154 -0.926388 0.085926 -0.213367 -31.6602 -185.188 30.6111 # jumping subtree containing (T0187)N96 jump= -0.830532 0.199758 -0.423986 -0.300915 -91.0049 -3.51525 -72.4862 # jumping subtree containing (T0187)E226 jump= -0.907945 -0.20326 0.0220493 -0.365835 -64.5639 17.2779 57.0025 # generation 90: best score out of 40: T0187.try1-al4 70.9788 cost/residue, 245 clashes 0.0680378 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 165 ## TwoFragment 24 ## CrossOver 131 ## CrossAndInsert 102 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 85 ## OptSubtree 1795 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P205 jump= 0.714125 0.0746675 -0.479443 0.504564 -182.504 1.00897 16.1028 # jumping subtree containing (T0187)V92 jump= 0.762995 -0.537237 -0.347121 0.0933913 -12.7372 12.1904 -19.9936 # jumping subtree containing (T0187)N159 jump= -0.913803 -0.179568 -0.261318 -0.253836 -73.4892 56.5505 9.88548 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= 0.219987 -0.245687 -0.304143 0.893723 -210.315 -62.9401 -74.2979 # jumping subtree containing (T0187)E226 jump= 0.990386 0.0392637 -0.108237 0.0766754 -31.0717 20.6381 6.93809 # jumping subtree containing (T0187)S151 jump= -0.990919 0.122433 0.00141735 -0.0555697 -31.7089 25.2866 -13.9723 # jumping subtree containing (T0187)L131 jump= 0.689028 0.683508 0.102756 0.217942 11.1456 -91.4879 57.1482 # jumping subtree containing (T0187)S127 jump= 0.574526 -0.399419 0.594961 0.395482 -169.925 -17.8165 -112.502 # jumping subtree containing (T0187)E226 jump= -0.182724 0.871127 -0.370835 0.265011 -16.6715 -186.954 -118.706 # jumping subtree containing (T0187)P93 jump= 0.977343 0.203418 0.0221661 0.0541327 -18.8692 -22.8115 14.6554 # jumping subtree containing (T0187)P205 jump= -0.289197 0.63369 -0.69463 -0.179701 -153.675 -84.9025 -65.2937 # generation 91: best score out of 40: T0187.try1-al4 70.9158 cost/residue, 248 clashes 0.0761532 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 166 ## TwoFragment 24 ## CrossOver 137 ## CrossAndInsert 102 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 85 ## OptSubtree 1812 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= -0.610741 -0.565702 0.453907 0.317718 -83.1683 -165.182 49.3969 # jumping subtree containing (T0187)E226 jump= 0.937971 0.264889 -0.12548 -0.185199 -6.10763 -49.1935 25.8502 # jumping subtree containing (T0187)Q142 jump= 0.99997 -0.00541812 0.00487523 -0.00244755 -3.7515 -18.2899 -12.9654 # jumping subtree containing (T0187)E226 jump= -0.512461 -0.0209369 -0.309673 0.800655 -89.0755 -169.51 -69.5213 # jumping subtree containing (T0187)Q142 jump= -0.949774 0.26953 -0.138894 -0.0774068 -10.5887 11.7159 -38.7027 # jumping subtree containing (T0187)E226 jump= -0.898988 0.224823 0.18127 0.329266 16.2504 -22.43 28.5608 # jumping subtree containing (T0187)P91 jump= -0.991393 0.025717 -0.102944 -0.0766917 -24.6089 24.327 -9.37448 # jumping subtree containing (T0187)Q142 jump= -0.662022 -0.522726 -0.210472 -0.494152 -105.85 51.1692 70.8736 # jumping subtree containing (T0187)L131 jump= 0.370486 -0.127499 -0.917654 -0.0662982 -184.043 37.034 5.18895 # jumping subtree containing (T0187)L131 jump= -0.847496 -0.38089 0.34378 0.135973 -30.2025 -94.4933 87.8581 # jumping subtree containing (T0187)E226 jump= 0.182257 0.197385 0.186791 0.94495 -242.563 -117.448 72.9178 # jumping subtree containing (T0187)E226 jump= 0.822522 -0.382977 0.282112 -0.311768 31.8434 -79.6585 -93.9929 # generation 92: best score out of 40: T0187.try1-al4 70.9158 cost/residue, 248 clashes 0.0761532 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 167 ## TwoFragment 24 ## CrossOver 139 ## CrossAndInsert 102 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 87 ## OptSubtree 1833 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= -0.196954 -0.780583 -0.336389 0.488612 -51.3097 -63.0324 -108.408 # jumping subtree containing (T0187)E226 jump= 0.988026 0.0673305 0.118614 0.0721277 -13.8452 9.74508 14.2017 # jumping subtree containing (T0187)L191 jump= 0.082802 0.990985 -0.10443 -0.0137003 -33.186 -182.447 16.8979 # jumping subtree containing (T0187)Q142 jump= -0.337702 -0.908887 0.243343 0.0258142 -40.4707 -191.046 28.2798 # jumping subtree containing (T0187)N159 jump= 0.491833 0.838944 0.119445 -0.200017 12.1635 -154.746 -57.6167 # jumping subtree containing (T0187)E226 jump= 0.337535 -0.187745 -0.206775 0.898925 -248.88 -34.8578 -59.1006 # jumping subtree containing (T0187)E175 jump= -0.290038 0.0689228 0.767872 0.56701 -162.44 -59.3432 97.5707 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)A180 jump= 0.617323 0.507521 -0.598223 0.0588541 -159.558 -104.974 134.242 # jumping subtree containing (T0187)L131 jump= 0.227779 -0.472649 -0.846049 -0.094452 -106.774 80.2439 -21.1299 # jumping subtree containing (T0187)P91 jump= -0.998569 -0.0416529 0.0021659 0.0334597 9.56798 2.3974 18.3469 # jumping subtree containing (T0187)E134 jump= -0.971189 -0.135582 -0.17601 -0.0862034 -32.2636 13.1832 -17.2884 # jumping subtree containing (T0187)E134 jump= -0.854915 0.0350159 -0.140744 -0.498082 -119.176 72.2286 -14.9663 # jumping subtree containing (T0187)P205 jump= -0.704513 0.195659 0.655997 0.187208 -55.1388 -14.2851 140.949 # generation 93: best score out of 40: T0187.try1-al4 70.5861 cost/residue, 242 clashes 0.0680375 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 167 ## TwoFragment 24 ## CrossOver 140 ## CrossAndInsert 104 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 88 ## OptSubtree 1866 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)E218 jump= -0.970274 -0.1287 -0.147058 0.142752 51.0075 -40.7438 -23.7176 # jumping subtree containing (T0187)P91 jump= 0.195831 0.172907 -0.944203 -0.200583 -229.383 -53.041 95.4388 # jumping subtree containing (T0187)N159 jump= 0.69739 0.617409 0.0843938 0.354021 -55.0538 -15.1475 92.5955 # jumping subtree containing (T0187)N159 jump= -0.982901 0.0534827 0.148349 -0.0950656 -16.8954 1.86531 25.6609 # jumping subtree containing (T0187)R176 jump= 0.794273 -0.475975 -0.374553 0.0478414 -16.5815 41.7499 -30.6768 # jumping subtree containing (T0187)A180 jump= -0.610611 -0.356196 -0.662641 -0.247359 -128.983 73.263 -28.7741 # jumping subtree containing (T0187)E226 jump= -0.671818 0.342564 -0.0886278 -0.650735 -162.993 61.1714 -110.033 # jumping subtree containing (T0187)E226 jump= -0.00434116 0.224963 0.077581 -0.971264 -211.453 -171.207 -69.3791 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= -0.8023 0.0261818 -0.146995 -0.577947 -134.94 54.4776 -13.9452 # Removing break moved up 3 to before 54 # generation 94: best score out of 40: T0187.try1-al4 70.586 cost/residue, 242 clashes 0.0680378 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 167 ## TwoFragment 24 ## CrossOver 140 ## CrossAndInsert 104 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 92 ## OptSubtree 1898 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.262772 -0.792788 0.378542 -0.398928 -100.762 -202.387 16.9481 # jumping subtree containing (T0187)E226 jump= -0.829623 0.329544 -0.233904 -0.385248 -109.886 -1.4434 -121.423 # jumping subtree containing (T0187)Q142 jump= -0.992213 -0.0974514 0.0768245 0.0106904 -10.6557 -26.2355 22.8141 # jumping subtree containing (T0187)E226 jump= -0.977357 -0.0596609 -0.0640977 0.19263 4.38335 -70.7222 -13.6189 # jumping subtree containing (T0187)P205 jump= -0.919165 -0.027658 -0.211622 -0.33104 -118.824 47.4912 -37.652 # jumping subtree containing (T0187)E226 jump= 0.551551 0.314471 0.771694 0.0372589 -4.14684 21.0989 -159.059 # jumping subtree containing (T0187)N159 jump= -0.269846 0.597332 -0.363156 -0.66219 -211.533 -111.559 -123.454 # generation 95: best score out of 40: T0187.try1-al4 70.5228 cost/residue, 245 clashes 0.0761534 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 167 ## TwoFragment 24 ## CrossOver 141 ## CrossAndInsert 104 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 98 ## OptSubtree 1921 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= 0.40172 0.914011 -0.0382907 0.0417095 -13.6573 -133.228 50.9051 # jumping subtree containing (T0187)N159 jump= -0.486415 0.686545 0.53456 0.0793853 -8.33724 -13.0809 36.9166 # jumping subtree containing (T0187)L131 jump= 0.853348 0.120625 -0.502425 0.0694009 -84.4689 8.04273 79.6917 # jumping subtree containing (T0187)A180 jump= 0.863245 -0.304263 0.401551 -0.0314512 -39.8018 -60.4043 -130.675 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)P205 jump= 0.250697 -0.899349 0.351267 -0.0702452 -62.7901 -211.453 -31.349 # jumping subtree containing (T0187)N159 jump= -0.133631 -0.149135 -0.0429987 -0.978802 -261.697 -115.701 54.118 # jumping subtree containing (T0187)P91 jump= -0.0479083 -0.957149 0.285026 -0.0181934 -45.5771 -173.082 -3.27867 # jumping subtree containing (T0187)E134 jump= 0.511827 -0.163712 -0.839713 -0.0781916 -155.639 22.5595 60.0144 # jumping subtree containing (T0187)E226 jump= 0.78599 -0.603091 0.129313 0.0421731 -31.8609 -76.7578 -90.3189 # jumping subtree containing (T0187)P91 jump= -0.480149 0.530288 -0.498643 -0.489497 -177.294 -65.5645 -130.49 # generation 96: best score out of 40: T0187.try1-al4 70.5228 cost/residue, 245 clashes 0.0761534 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 167 ## TwoFragment 24 ## CrossOver 143 ## CrossAndInsert 104 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 99 ## OptSubtree 1945 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E134 jump= 0.909117 0.266356 -0.278942 0.157326 -55.1519 -22.4213 87.4766 # jumping subtree containing (T0187)E226 jump= 0.182831 -0.110807 0.389745 -0.895764 -229.302 -184.808 -61.5158 # jumping subtree containing (T0187)E226 jump= 0.994711 -0.0824036 -0.051189 -0.0337631 0.0482211 -20.4093 22.3996 # jumping subtree containing (T0187)Q142 jump= 0.949196 -0.0190154 -0.000517237 -0.314111 0.856721 -94.1226 19.8742 # jumping subtree containing (T0187)E226 jump= 0.689175 -0.65786 -0.273592 0.131929 -20.0007 -16.8483 -28.9733 # jumping subtree containing (T0187)A180 jump= -0.968256 -0.0341645 0.0311673 -0.245647 -33.1508 58.0599 14.3157 # jumping subtree containing (T0187)A180 jump= 0.237284 0.519168 -0.802237 -0.17486 -291.278 -181.359 82.2992 # jumping subtree containing (T0187)K215 jump= 0.0068605 0.648169 0.137926 0.74887 -142.472 -132.608 145.929 # jumping subtree containing (T0187)Q142 jump= -0.972402 -0.0599301 -0.21896 0.0538372 13.1109 -26.4656 -35.1992 # jumping subtree containing (T0187)P91 jump= -0.347321 0.807009 0.313556 -0.36026 -35.2491 -55.4447 -84.6711 # jumping subtree containing (T0187)Q142 jump= 0.00795019 -0.229527 0.168386 -0.958593 -259.387 -135.698 36.8538 # jumping subtree containing (T0187)L191 jump= 0.778122 -0.575882 0.235609 -0.0858776 -37.2797 -117.957 -107.821 # jumping subtree containing (T0187)E226 jump= 0.765708 -0.603726 -0.127074 0.18182 -15.3415 -7.86881 -75.434 # jumping subtree containing (T0187)L138 jump= 0.997506 0.0243261 -0.0659724 0.00613287 13.8837 -5.82523 -1.37973 # generation 97: best score out of 40: T0187.try1-al4 70.5228 cost/residue, 245 clashes 0.0761534 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 167 ## TwoFragment 24 ## CrossOver 143 ## CrossAndInsert 104 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 101 ## OptSubtree 1976 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.831843 -0.449673 -0.238617 0.221116 31.0982 -64.8622 -17.9716 # jumping subtree containing (T0187)A180 jump= -0.990305 0.0200839 0.00809466 -0.13721 -37.1074 39.4398 -3.13606 # jumping subtree containing (T0187)F129 jump= -0.765387 -0.487942 -0.416324 0.0526251 -31.3967 0.922369 -25.1143 # jumping subtree containing (T0187)P91 jump= -0.765493 -0.61538 -0.130384 -0.135381 -41.3102 -12.3936 73.1979 # Removing break before 127 # jumping subtree containing (T0187)P91 jump= -0.976232 -0.153357 0.0376467 0.14844 2.70694 -39.0503 16.5366 # jumping subtree containing (T0187)A180 jump= 0.982533 -0.0123585 -0.127164 -0.1353 1.66167 -50.0256 24.8699 # jumping subtree containing (T0187)L131 jump= 0.96224 -0.105988 -0.0774553 -0.238455 16.0022 -42.268 28.9229 # jumping subtree containing (T0187)A180 jump= -0.87365 -0.0491928 -0.144127 0.462107 -16.9642 -146.608 -39.0785 # jumping subtree containing (T0187)E226 jump= -0.9769 0.0819863 -0.160055 0.115444 28.5041 -53.6073 -64.4748 # jumping subtree containing (T0187)N159 jump= -0.999697 0.0235803 -0.00680956 0.00187989 25.5375 10.7959 -12.9378 # jumping subtree containing (T0187)E218 jump= 0.968399 0.0498065 -0.118172 0.213912 -27.2669 73.1338 31.1013 # jumping subtree containing (T0187)P91 jump= 0.0667382 -0.0623994 0.0253258 0.995495 -233.23 -160.273 6.2528 # generation 98: best score out of 40: T0187.try1-al4 70.5228 cost/residue, 245 clashes 0.0761534 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 167 ## TwoFragment 24 ## CrossOver 145 ## CrossAndInsert 104 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 103 ## OptSubtree 1996 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L191 jump= 0.619344 0.11123 -0.416627 -0.656097 -82.2183 -174.261 119.623 # jumping subtree containing (T0187)L191 jump= -0.973437 -0.00611673 -0.0787818 0.214885 21.3718 -82.2708 -12.6705 # jumping subtree containing (T0187)L191 jump= 0.987128 -0.0860348 0.055673 -0.122786 16.4202 -16.4855 -18.7127 # jumping subtree containing (T0187)E218 jump= 0.192083 0.0331238 0.491894 -0.848556 -187.94 -136.525 -91.3285 # jumping subtree containing (T0187)E226 jump= 0.5644 -0.115848 0.552504 -0.602305 -123.463 -156.571 -113.675 # jumping subtree containing (T0187)E134 jump= 0.399731 -0.594607 0.310366 -0.624764 -120.462 -179.459 9.97156 # jumping subtree containing (T0187)G171 jump= 0.29542 0.51856 0.634447 -0.491222 -74.5022 -8.87747 -129.01 # jumping subtree containing (T0187)V117 jump= 0.98366 -0.0916062 0.0805753 0.132394 -51.8941 49.268 -53.5999 # jumping subtree containing (T0187)A180 jump= 0.999967 0.00676728 0.00429927 0.00134714 -18.5294 6.60186 1.0869 # jumping subtree containing (T0187)N159 jump= 0.578427 0.325206 -0.720232 -0.202311 -145.583 -126.016 133.522 # jumping subtree containing (T0187)Q142 jump= -0.00399748 -0.357446 -0.705205 -0.612292 -194.994 8.63361 81.4788 # jumping subtree containing (T0187)A180 jump= 0.799547 0.234864 0.547956 -0.0728489 -61.4333 2.36216 -67.3374 # jumping subtree containing (T0187)Q142 jump= -0.850843 0.188614 -0.482501 0.0876577 -49.5612 -29.9115 -130.481 # jumping subtree containing (T0187)G171 jump= -0.977412 -0.0508098 0.155828 0.133424 34.5817 -51.3487 49.9284 # Removing break before 127 # jumping subtree containing (T0187)A180 jump= 0.54332 0.498244 0.471401 -0.484084 -48.8329 -68.3108 -98.0572 # jumping subtree containing (T0187)H164 jump= -0.288837 -0.829729 -0.294153 -0.376293 -8.95582 -26.9342 114.74 # jumping subtree containing (T0187)E134 jump= 0.918597 -0.360653 -0.121598 -0.10641 11.494 -55.8671 14.1816 # jumping subtree containing (T0187)L133 jump= -0.993087 -0.00942105 -0.000882799 0.116995 25.8579 -28.2559 11.7105 # generation 99: best score out of 40: T0187.try1-al4 70.5228 cost/residue, 245 clashes 0.0761535 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 167 ## TwoFragment 24 ## CrossOver 149 ## CrossAndInsert 104 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 104 ## OptSubtree 2015 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.943122 0.238336 0.220381 -0.0717523 32.9005 -25.5583 -7.72824 # jumping subtree containing (T0187)E226 jump= -0.0609973 -0.433104 -0.533259 -0.72411 -164.686 -37.401 146.262 # jumping subtree containing (T0187)P91 jump= 0.126757 0.665515 0.0522962 0.733681 -117.292 -145.213 143.156 # jumping subtree containing (T0187)E226 jump= -0.940225 0.268575 0.202489 0.0533139 25.8412 -28.0966 3.24828 # generation 100: best score out of 40: T0187.try1-al4 70.5228 cost/residue, 245 clashes 0.0761535 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 167 ## TwoFragment 24 ## CrossOver 152 ## CrossAndInsert 104 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 104 ## OptSubtree 2036 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P205 jump= 0.858032 0.432648 0.061877 -0.269755 1.55217 -125.333 10.0421 # jumping subtree containing (T0187)E226 jump= 0.778561 0.613315 0.00981531 -0.132631 -11.5969 -98.0778 75.7896 # jumping subtree containing (T0187)E226 jump= -0.785508 0.512682 0.344109 -0.0415176 6.28876 15.2263 -36.2882 # jumping subtree containing (T0187)A180 jump= 0.966478 0.249596 0.0601239 -0.0026878 -26.3053 -3.7067 27.5744 # Removing break before 80 # jumping subtree containing (T0187)E226 jump= -0.989284 -0.0700167 -0.113786 -0.0588882 -14.1459 -12.8011 -16.6362 # jumping subtree containing (T0187)E218 jump= -0.543508 0.795431 0.0292294 0.266524 25.3422 -144.555 -39.3751 # jumping subtree containing (T0187)A180 jump= -0.569347 0.608113 -0.54079 0.116574 -122.564 -132.16 -104.788 # Removing break before 68 # jumping subtree containing (T0187)E226 jump= -0.345548 -0.600065 0.552312 0.464188 -155.752 -217.532 60.25 # jumping subtree containing (T0187)E226 jump= -0.775107 -0.429117 0.154978 -0.437093 -141.235 -5.63475 147.318 # jumping subtree containing (T0187)A180 jump= 0.942805 0.190443 -0.244274 0.123208 -51.4512 19.8605 105.617 # jumping subtree containing (T0187)P91 jump= 0.950323 -0.11087 0.0440114 -0.287501 42.0086 -68.1013 -24.61 # jumping subtree containing (T0187)E134 jump= -0.674946 0.587892 0.182113 -0.40702 -38.6458 19.0898 -70.2831 # jumping subtree containing (T0187)P205 jump= 0.0519017 -0.0237053 -0.441018 0.895683 -270.891 -108.232 -71.032 # jumping subtree containing (T0187)L131 jump= -0.267432 0.541234 0.66745 0.435954 -89.8121 -6.14182 130.333 # generation 101: best score out of 40: T0187.try1-al4 70.5228 cost/residue, 245 clashes 0.0761535 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 167 ## TwoFragment 24 ## CrossOver 155 ## CrossAndInsert 104 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 104 ## OptSubtree 2057 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= -0.0376776 -0.0404292 0.863462 0.501377 -199.799 -39.1476 52.6911 # jumping subtree containing (T0187)E226 jump= 0.353454 -0.564466 -0.717132 -0.205353 -44.5447 38.995 88.5119 # jumping subtree containing (T0187)E226 jump= -0.420625 0.837087 -0.174822 -0.302979 -64.1475 -153.303 -154.343 # jumping subtree containing (T0187)P91 jump= 0.72481 0.391724 -0.0253214 0.566182 -137.632 6.949 83.8821 # jumping subtree containing (T0187)P91 jump= 0.126866 0.420824 -0.741554 -0.506863 -211.813 -152.273 73.2586 # jumping subtree containing (T0187)A180 jump= -0.606893 0.510424 -0.424172 -0.437295 -142.481 -44.1569 -109.141 # jumping subtree containing (T0187)E226 jump= 0.278 0.621708 -0.457248 0.571944 -237.652 -164.305 102.035 # jumping subtree containing (T0187)E95 jump= -0.908278 -0.0958322 0.210179 -0.348816 -72.32 37.3309 53.3797 # jumping subtree containing (T0187)E226 jump= -0.595763 0.110636 -0.79338 0.0580877 -173.044 -24.4218 -120.779 # jumping subtree containing (T0187)E226 jump= -0.192744 0.254053 -0.939225 -0.127135 -252.199 -87.1964 -39.5808 # jumping subtree containing (T0187)T97 jump= -0.915256 -0.288132 -0.0492399 0.277241 27.5255 -72.955 26.3417 # jumping subtree containing (T0187)A180 jump= -0.553642 -0.588964 -0.146429 -0.570229 -122.019 15.0408 154.194 # jumping subtree containing (T0187)A180 jump= -0.399857 -0.587937 0.500874 0.493528 -99.6497 -190.021 50.1785 # jumping subtree containing (T0187)A180 jump= 0.654916 -0.352725 0.657553 -0.11956 -139.857 -110.686 -139.761 # jumping subtree containing (T0187)A180 jump= 0.244904 0.192744 -0.649428 -0.693624 -199.854 -157.798 97.432 # jumping subtree containing (T0187)G171 jump= -0.203957 -0.607289 -0.374545 -0.670312 -141.14 -26.0931 144.859 # generation 102: best score out of 40: T0187.try1-al4 70.5228 cost/residue, 245 clashes 0.0761535 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 167 ## TwoFragment 24 ## CrossOver 163 ## CrossAndInsert 104 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 105 ## OptSubtree 2072 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E134 jump= 0.583546 0.238594 -0.493833 -0.598896 -102.538 -147.506 115.048 # jumping subtree containing (T0187)E226 jump= -0.256751 -0.469827 0.353673 -0.766979 -264.827 -159.603 94.2218 # jumping subtree containing (T0187)P205 jump= 0.761997 0.0250944 -0.488394 -0.424501 -88.1445 -117.804 154.291 # jumping subtree containing (T0187)P205 jump= 0.88003 0.150566 0.450405 0.00347999 -27.2173 33.6118 -78.3373 # jumping subtree containing (T0187)E226 jump= 0.850222 0.119499 -0.354152 -0.370701 7.90592 -112.39 88.6774 # jumping subtree containing (T0187)I98 jump= -0.999517 0.0167593 -0.0261873 0.000108767 -12.6512 14.4155 -21.9858 # jumping subtree containing (T0187)E226 jump= 0.905167 -0.340531 -0.0886021 -0.238457 35.6692 -76.7355 -3.4858 # jumping subtree containing (T0187)A180 jump= -0.660793 0.482419 -0.397091 0.415864 -76.4945 -166.019 -53.2427 # Removing break before 127 # jumping subtree containing (T0187)A180 jump= 0.334843 -0.570274 0.610699 0.435564 -194.139 -145.457 -65.5889 # jumping subtree containing (T0187)Q142 jump= -0.601293 -0.0238259 0.682291 0.41516 -124.817 -60.8432 110.269 # jumping subtree containing (T0187)L131 jump= -0.148014 -0.0472755 -0.905706 -0.394402 -198.213 19.6542 28.0178 # jumping subtree containing (T0187)I98 jump= -0.631897 -0.772014 -0.0328941 -0.06016 -10.5276 -95.8353 82.9702 # jumping subtree containing (T0187)A180 jump= 0.984173 0.0826665 0.156747 3.97926e-05 -10.7032 -22.4552 -31.4338 # jumping subtree containing (T0187)G152 jump= 0.736982 0.143466 0.24463 0.61354 -183.522 87.0116 16.9993 # jumping subtree containing (T0187)E218 jump= -0.0585079 0.0386575 0.985239 -0.156159 -240.881 -15.6822 -5.34272 # jumping subtree containing (T0187)A180 jump= 0.115042 -0.0105022 -0.988717 0.0953613 -227.419 15.784 53.4151 # jumping subtree containing (T0187)A180 jump= 0.450516 -0.869626 0.0583127 0.193354 -40.8409 -103.745 -91.6558 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= -0.999989 -0.00152841 -0.00127228 -0.00425592 2.97654 -15.5575 7.1612 # generation 103: best score out of 40: T0187.try1-al4 70.5226 cost/residue, 245 clashes 0.0761534 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 167 ## TwoFragment 24 ## CrossOver 165 ## CrossAndInsert 104 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 105 ## OptSubtree 2094 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.897067 -0.207311 -0.173123 -0.349746 -76.0199 56.9316 33.7578 # jumping subtree containing (T0187)E226 jump= -0.128559 -0.693811 -0.648671 -0.285175 -65.0877 31.0148 76.5567 # jumping subtree containing (T0187)E226 jump= 0.473435 -0.709438 -0.14118 0.502618 -108.626 -29.9682 -144.604 # jumping subtree containing (T0187)A180 jump= -0.0999222 -0.299777 0.925917 0.206947 -239.622 -98.9406 47.185 # jumping subtree containing (T0187)L191 jump= -0.467335 0.734507 -0.472711 0.136535 -90.3285 -199.654 -116.85 # jumping subtree containing (T0187)P91 jump= -0.620265 -0.121816 -0.678649 0.373989 -188.016 -32.4932 -136.888 # jumping subtree containing (T0187)S122 jump= -0.184488 0.680247 0.685499 0.182534 -33.9152 22.0787 73.1082 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= 0.317449 0.534815 0.40273 -0.671571 -76.008 -135.993 -136.527 # jumping subtree containing (T0187)L191 jump= 0.287683 -0.334645 0.862152 -0.248889 -234.69 -100.746 -80.832 # jumping subtree containing (T0187)E218 jump= 0.168498 0.173207 -0.83342 0.497009 -249.885 -61.1409 -8.67886 # jumping subtree containing (T0187)T160 jump= 0.636282 -0.247476 -0.220908 -0.696491 -42.7537 -168.53 46.0663 # jumping subtree containing (T0187)A180 jump= 0.87331 -0.238429 0.298573 -0.302218 -45.4725 -115.705 -74.0849 # Removing break moved up 3 to before 54 # Removing break before 100 # jumping subtree containing (T0187)N112 jump= -0.689029 -0.138759 -0.51589 -0.489738 -131.871 73.0763 -21.4301 # generation 104: best score out of 40: T0187.try1-al4 70.5226 cost/residue, 245 clashes 0.0761534 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 167 ## TwoFragment 24 ## CrossOver 170 ## CrossAndInsert 104 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 105 ## OptSubtree 2113 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.244593 0.627804 0.111694 -0.730453 -124.265 -207.039 -155.538 # jumping subtree containing (T0187)L191 jump= -0.999831 0.00471432 -0.00330961 -0.0174757 -6.5121 17.2486 13.2235 # jumping subtree containing (T0187)E226 jump= -0.896191 -0.223973 -0.376158 -0.0719969 -54.2358 59.4446 -29.1505 # jumping subtree containing (T0187)L191 jump= -0.274712 0.0538387 0.263807 0.92306 -197.252 -167.22 51.3988 # jumping subtree containing (T0187)E226 jump= -0.987316 -0.0277141 0.0489139 0.148482 30.2925 -34.0863 27.8444 # jumping subtree containing (T0187)A180 jump= -0.282019 0.296638 -0.906147 -0.106622 -222.273 -64.4031 -53.2999 # jumping subtree containing (T0187)I158 jump= -0.366656 -0.135515 0.913903 0.10945 -227.596 -68.1993 176.921 # jumping subtree containing (T0187)G123 jump= 0.542 0.61004 -0.523673 -0.24465 -96.4281 -228.486 202.828 # jumping subtree containing (T0187)L191 jump= -0.968325 -0.129212 0.0707539 -0.201604 -58.9034 56.389 28.0694 # jumping subtree containing (T0187)E226 jump= -0.83362 0.38659 0.0362778 0.392823 38.2924 -118.888 8.27318 # jumping subtree containing (T0187)H164 jump= -0.899463 -0.42301 -0.0767064 0.0783911 -8.34696 -52.158 29.0181 # jumping subtree containing (T0187)G123 jump= -0.999312 -0.00735106 0.0335476 0.0139986 -1.94935 -21.957 30.7186 # jumping subtree containing (T0187)E226 jump= 0.959681 0.179193 0.215149 -0.0247761 -29.4787 15.7524 -27.6552 # jumping subtree containing (T0187)L191 jump= -0.88207 -0.257918 0.113669 -0.377505 -114.56 49.549 84.7349 # generation 105: best score out of 40: T0187.try1-al4 70.5207 cost/residue, 239 clashes 0.0800201 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 175 ## CrossAndInsert 104 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 105 ## OptSubtree 2131 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 127 # jumping subtree containing (T0187)P91 jump= -0.975496 0.0178403 0.215185 0.0422394 8.15857 -33.6348 86.49 # Removing break before 127 # jumping subtree containing (T0187)G152 jump= -0.476647 0.542705 -0.0297482 -0.690937 -155.3 -31.5081 -145.072 # jumping subtree containing (T0187)P91 jump= 0.0526439 0.775966 0.559224 0.287009 -73.187 2.17421 205.696 # jumping subtree containing (T0187)E134 jump= 0.140218 -0.337362 -0.868567 0.33484 -216.032 80.5924 24.5756 # jumping subtree containing (T0187)E226 jump= 0.940616 0.161483 -0.298373 0.0117713 -34.5889 -23.7929 145.306 # jumping subtree containing (T0187)N159 jump= -0.812982 -0.0736599 -0.577336 0.017851 -116.057 4.23382 -92.7108 # jumping subtree containing (T0187)L191 jump= 0.867829 0.424937 -0.256515 -0.0224012 -8.34192 -38.6875 146.259 # Removing break before 80 # jumping subtree containing (T0187)E134 jump= 0.776876 -0.49676 -0.385172 -0.0365487 2.43951 21.3344 35.1461 # generation 106: best score out of 40: T0187.try1-al4 70.5207 cost/residue, 239 clashes 0.0800201 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 175 ## CrossAndInsert 104 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 105 ## OptSubtree 2155 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E95 jump= -0.190031 0.141849 -0.241878 -0.940884 -255.082 -155.194 15.9155 # jumping subtree containing (T0187)G123 jump= -0.981849 0.0484594 0.183352 -0.00260311 4.24335 6.65751 48.7478 # jumping subtree containing (T0187)E226 jump= 0.964987 0.0173565 -0.204926 0.162798 -55.4425 61.8409 84.1086 # jumping subtree containing (T0187)E226 jump= 0.515168 -0.046318 -0.855555 0.021971 -240.009 16.8521 168.456 # Removing break before 101 # jumping subtree containing (T0187)E226 jump= 0.263821 -0.365737 0.892527 -0.00555273 -248.889 -103.565 -90.0693 # jumping subtree containing (T0187)G152 jump= -0.884533 0.29014 -0.352929 -0.0941329 -79.8909 -56.9583 -119.547 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)L131 jump= -0.338753 -0.296213 0.552209 0.701833 -145.57 -169.251 55.7845 # jumping subtree containing (T0187)A180 jump= -0.98797 -0.0209802 0.124453 0.0893633 7.39021 -27.2378 22.9115 # jumping subtree containing (T0187)E134 jump= 0.85027 -0.263058 0.258712 -0.375379 -28.7198 -88.1518 -59.457 # jumping subtree containing (T0187)A180 jump= 0.442949 0.642706 0.0541298 0.622732 -172.053 -10.9465 211.285 # jumping subtree containing (T0187)L191 jump= -0.632155 0.611495 -0.0212211 0.475399 -39.8774 -191.14 40.283 # generation 107: best score out of 40: T0187.try1-al4 70.4366 cost/residue, 242 clashes 0.08002 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 176 ## CrossAndInsert 105 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 107 ## OptSubtree 2186 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.155542 0.477805 -0.278215 -0.8186 -216.082 -157.964 -89.3022 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)N159 jump= -0.485377 0.31344 0.30976 0.755124 -106.434 -156.281 83.4214 # jumping subtree containing (T0187)P205 jump= 0.0642804 0.547205 0.303344 -0.777443 -141.446 -114.496 -153.458 # jumping subtree containing (T0187)E226 jump= 0.00594019 0.285274 -0.915071 -0.285005 -256.711 -100.37 18.5832 # jumping subtree containing (T0187)L131 jump= 0.18289 0.188317 0.511233 0.81837 -204.291 -54.963 102.952 # jumping subtree containing (T0187)G152 jump= -0.502778 -0.0869085 0.745455 0.428903 -177.496 -93.0261 102.705 # jumping subtree containing (T0187)A180 jump= 0.861956 -0.33323 0.214357 -0.316293 -22.3526 -125.332 -42.6712 # jumping subtree containing (T0187)A180 jump= 0.887395 0.195573 -0.415106 0.0443671 -42.8779 -24.5396 137.834 # generation 108: best score out of 40: T0187.try1-al4 70.4362 cost/residue, 242 clashes 0.0800205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 178 ## CrossAndInsert 105 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 107 ## OptSubtree 2217 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I232 jump= -0.261421 -0.60318 -0.292291 -0.69455 -159.556 -36.7321 170.166 # jumping subtree containing (T0187)L217 jump= -0.862698 0.153277 0.469906 -0.106989 -27.9821 16.3566 74.7579 # jumping subtree containing (T0187)E226 jump= 0.433778 -0.108454 0.543765 -0.710207 -177.665 -167.174 -93.0858 # Removing break before 127 # jumping subtree containing (T0187)P205 jump= 0.826014 0.157588 -0.375397 -0.389799 -34.9987 -97.6334 118.71 # jumping subtree containing (T0187)P91 jump= -0.692534 0.322985 0.316816 0.561877 3.27191 -154.552 86.2118 # jumping subtree containing (T0187)E226 jump= -0.910478 -0.364362 -0.162615 0.108751 19.1089 -22.9839 -13.7627 # jumping subtree containing (T0187)E226 jump= 0.553159 0.281337 -0.481117 0.619186 -220.511 16.3459 126.413 # jumping subtree containing (T0187)E226 jump= 0.930551 0.186201 0.270393 -0.162149 1.70767 -22.6697 -53.1756 # jumping subtree containing (T0187)D109 jump= 0.703739 0.48487 0.448686 0.261406 -55.3803 62.5299 31.3169 # generation 109: best score out of 40: T0187.try1-al4 70.4358 cost/residue, 242 clashes 0.0800202 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 179 ## CrossAndInsert 105 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 110 ## OptSubtree 2247 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= -0.284108 -0.545918 0.781695 -0.101043 -188.153 -128.699 72.0431 # jumping subtree containing (T0187)A180 jump= -0.590192 0.772032 -0.110302 -0.208504 -54.8291 -101.031 -123.854 # jumping subtree containing (T0187)S151 jump= 0.680952 -0.241578 -0.435295 0.537087 -156.377 61.402 -27.3218 # jumping subtree containing (T0187)E218 jump= 0.999084 -0.0216394 -0.0291348 0.0226545 7.58814 -12.6889 18.8883 # jumping subtree containing (T0187)E134 jump= 0.0292679 -0.725972 0.605597 0.324592 -150.969 -203.33 -21.917 # jumping subtree containing (T0187)E226 jump= 0.25288 0.304008 0.885217 0.244992 -224.686 70.445 -1.97133 # jumping subtree containing (T0187)E226 jump= -0.679221 -0.00231305 -0.00945168 0.73387 -40.227 -241.939 8.50361 # jumping subtree containing (T0187)E134 jump= -0.881822 -0.409669 -0.120764 -0.199945 -16.219 38.9256 39.1532 # jumping subtree containing (T0187)T236 jump= 0.0396831 -0.570264 0.815388 -0.0914742 -242.017 -166.755 -2.39209 # Removing break before 89 # jumping subtree containing (T0187)L131 jump= 0.862735 0.459049 -0.209795 -0.0307947 -25.7219 -22.3057 84.9722 # jumping subtree containing (T0187)E218 jump= -0.751148 -0.232913 -0.107168 0.608313 -52.1659 -130.784 -31.1168 # generation 110: best score out of 40: T0187.try1-al4 70.4358 cost/residue, 242 clashes 0.0800202 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 181 ## CrossAndInsert 105 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 110 ## OptSubtree 2276 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G192 jump= -0.437502 -0.255516 0.861572 -0.0315877 -210.485 -65.3967 140.33 # jumping subtree containing (T0187)E226 jump= -0.992165 -0.104434 0.0311051 0.0611133 -0.603973 -10.0018 38.0207 # jumping subtree containing (T0187)P91 jump= 0.0146758 0.968573 0.171238 -0.179801 -0.202793 -121.895 -9.58673 # jumping subtree containing (T0187)P91 jump= -0.972405 0.0804321 -0.1927 -0.104043 -47.1857 25.5804 -49.5819 # jumping subtree containing (T0187)A180 jump= -0.195406 -0.856216 0.0786407 0.471727 -83.8523 -287.186 -84.4073 # jumping subtree containing (T0187)A180 jump= -0.929945 -0.22668 0.0800646 -0.278223 -30.0206 70.7525 49.0765 # jumping subtree containing (T0187)E218 jump= 0.370495 -0.306235 0.583674 0.65443 -233.322 -90.3743 -39.7992 # jumping subtree containing (T0187)N159 jump= -0.130329 0.100499 0.0812101 0.983015 -253.654 -179.023 36.1136 # jumping subtree containing (T0187)Q142 jump= 0.963715 -0.113191 0.241512 -0.010679 -29.5379 -15.319 -46.5044 # jumping subtree containing (T0187)T160 jump= 0.946913 -0.318103 0.000827411 0.0465376 8.45121 -28.5032 -24.6213 # jumping subtree containing (T0187)E226 jump= 0.37879 -0.205497 0.89308 -0.129214 -234.579 -34.0086 -33.2047 # generation 111: best score out of 40: T0187.try1-al4 70.4173 cost/residue, 276 clashes 0.0800205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 186 ## CrossAndInsert 107 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 111 ## OptSubtree 2292 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.193329 0.524777 -0.801313 0.212441 -290.667 -183.446 19.6709 # jumping subtree containing (T0187)E226 jump= -0.50962 0.427386 0.645073 0.376178 -67.847 -16.5355 144.522 # jumping subtree containing (T0187)G192 jump= -0.349693 0.636014 -0.385682 0.569606 -165.802 -253.459 37.32 # jumping subtree containing (T0187)E226 jump= -0.989086 0.05781 -0.0203909 0.133985 21.2451 -32.3905 -26.7323 # jumping subtree containing (T0187)A180 jump= 0.85035 -0.333337 0.403296 0.05607 -81.4953 -36.1133 -139.759 # jumping subtree containing (T0187)L131 jump= 0.282402 -0.593986 0.712119 0.245595 -263.06 -183.185 -165.741 # jumping subtree containing (T0187)A180 jump= -0.137052 -0.89326 -0.061695 0.423671 -24.6811 -141.402 -59.9681 # jumping subtree containing (T0187)D109 jump= 0.00424584 -0.550092 0.814953 -0.182295 -279.477 -219.032 -64.0616 # jumping subtree containing (T0187)G152 jump= 0.728485 0.0667425 0.671275 0.119351 -109.286 48.6868 -111.192 # jumping subtree containing (T0187)E226 jump= -0.85023 -0.0741071 0.30481 0.422739 -2.34913 -135.272 115.354 # jumping subtree containing (T0187)A180 jump= 0.842304 -0.406564 -0.26337 0.236359 -31.066 -3.65377 3.04037 # jumping subtree containing (T0187)E226 jump= -0.572626 -0.793682 -0.0531727 0.198347 30.5476 -166.891 43.352 # generation 112: best score out of 40: T0187.try1-al4 70.3948 cost/residue, 231 clashes 0.0853982 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 186 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 112 ## OptSubtree 2324 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G152 jump= 0.939623 0.0257015 -0.304363 0.15431 -82.936 19.1614 77.6171 # jumping subtree containing (T0187)A180 jump= 0.7348 0.140367 -0.277069 -0.602991 -47.5354 -199.483 68.1471 # jumping subtree containing (T0187)E134 jump= 0.286734 -0.544709 0.739126 -0.273439 -202.6 -147.59 -65.3156 # jumping subtree containing (T0187)G171 jump= 0.581194 0.663023 -0.0463173 -0.469541 -61.4906 -281.933 -42.5713 # jumping subtree containing (T0187)Q142 jump= 0.987792 -0.0174669 -0.144121 -0.0564975 -0.855357 -14.4186 41.4857 # jumping subtree containing (T0187)L131 jump= 0.853478 -0.00167584 0.0991579 0.511606 -174.98 68.9038 -3.13614 # jumping subtree containing (T0187)E226 jump= 0.515268 0.183654 0.165799 0.820537 -299.274 -11.5488 63.5663 # jumping subtree containing (T0187)E226 jump= 0.543277 -0.148748 0.167297 0.809158 -282.254 7.99659 -39.346 # jumping subtree containing (T0187)L131 jump= 0.952254 0.288782 0.0649933 0.0747891 -11.8764 -16.9075 55.7863 # jumping subtree containing (T0187)T160 jump= 0.984378 -0.134921 -0.0683956 -0.0900983 -6.76999 1.93559 -2.92209 # jumping subtree containing (T0187)L240 jump= 0.873918 0.269812 0.309943 0.259622 -74.4864 45.393 12.2924 # generation 113: best score out of 40: T0187.try1-al4 70.3948 cost/residue, 231 clashes 0.0853982 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 190 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 112 ## OptSubtree 2355 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= -0.882134 -0.353704 -0.236195 -0.202347 -10.9963 14.702 36.738 # jumping subtree containing (T0187)P91 jump= 0.226169 0.425777 0.773021 0.412311 -115.752 29.8928 73.1632 # jumping subtree containing (T0187)R172 jump= -0.38115 0.314148 0.837261 0.234585 -115.158 15.1922 104.903 # jumping subtree containing (T0187)G192 jump= -0.676154 0.52037 -0.516468 -0.0727447 -95.6264 -97.9611 -155.945 # jumping subtree containing (T0187)E134 jump= -0.888543 -0.318404 -0.318981 -0.0857986 -36.6863 21.6576 -29.0171 # jumping subtree containing (T0187)E226 jump= -0.717124 0.52278 -0.26555 -0.37672 -136.006 -25.4154 -129.297 # jumping subtree containing (T0187)P91 jump= 0.0940542 0.92181 -0.371186 -0.0603401 -92.2976 -200.044 57.2737 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T160 jump= 0.978568 -0.0875465 -0.159684 0.0961356 -24.1647 29.8431 29.9877 # jumping subtree containing (T0187)P91 jump= -0.356654 0.318998 -0.877449 0.0334787 -300.405 -116.687 -134.65 # jumping subtree containing (T0187)E226 jump= -0.763855 0.460213 0.102252 -0.440765 -94.2265 38.7169 -106.294 # jumping subtree containing (T0187)T160 jump= 0.562328 -0.401401 0.678033 0.25087 -181.43 -39.4914 -124.991 # jumping subtree containing (T0187)E226 jump= 0.781533 0.149375 0.0690417 -0.60177 17.5146 -177.694 -9.83305 # jumping subtree containing (T0187)E226 jump= -0.934565 -0.34403 -0.0441902 -0.0792383 -30.8023 -14.1594 46.5331 # jumping subtree containing (T0187)E226 jump= -0.520633 0.569307 0.198818 -0.604402 -155.674 -22.0207 -144.992 # jumping subtree containing (T0187)D109 jump= 0.962978 -0.170959 -0.205824 -0.0329107 0.131383 -1.47885 0.513584 # generation 114: best score out of 40: T0187.try1-al4 70.3946 cost/residue, 231 clashes 0.0853982 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 192 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 113 ## OptSubtree 2387 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G192 jump= 0.816509 -0.544073 0.185192 -0.0547824 -29.0666 -81.6091 -94.8925 # Removing break before 101 # jumping subtree containing (T0187)E226 jump= -0.317329 0.496018 -0.0818226 0.804098 -125.448 -229.188 49.0017 # Removing break before 101 # jumping subtree containing (T0187)G171 jump= 0.757689 -0.633477 0.146555 -0.0560053 -11.0403 -109.244 -72.4178 # jumping subtree containing (T0187)E226 jump= 0.35097 0.0521961 -0.0515362 0.933509 -254.874 -89.0373 3.13969 # jumping subtree containing (T0187)A180 jump= 0.958829 0.102673 -0.263898 -0.0215312 0.529798 -0.83589 57.6881 # Removing break moved up 3 to before 54 # generation 115: best score out of 40: T0187.try1-al4 70.3945 cost/residue, 231 clashes 0.0853982 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 197 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 113 ## OptSubtree 2411 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P205 jump= -0.555816 0.386787 0.735808 0.00709965 -107.003 78.1366 80.7994 # jumping subtree containing (T0187)G152 jump= 0.917887 0.256422 -0.0930076 0.288238 -68.0273 28.6661 74.0266 # jumping subtree containing (T0187)A180 jump= 0.910706 -0.409963 -0.0381451 -0.0330184 11.0366 -26.4939 -17.3165 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)P205 jump= -0.52077 -0.754012 0.386113 0.105744 -93.241 -216.432 107.794 # jumping subtree containing (T0187)E134 jump= -0.811873 -0.168272 0.542891 0.133475 -114.123 -70.9618 123.412 # jumping subtree containing (T0187)V117 jump= -0.588154 -0.709557 -0.325593 -0.211169 6.89852 17.0313 8.05258 # jumping subtree containing (T0187)H164 jump= -0.809888 0.438813 -0.326061 -0.212622 -76.0712 -33.3012 -102.789 # jumping subtree containing (T0187)P205 jump= 0.954255 0.18765 -0.0317138 0.230607 -56.0203 49.0797 58.5661 # jumping subtree containing (T0187)P205 jump= 0.734752 0.29427 -0.00461181 -0.611166 -10.0072 -192.279 -15.2308 # jumping subtree containing (T0187)E226 jump= 0.0346958 0.0931322 0.983794 -0.14924 -217.275 -2.4386 -38.8722 # jumping subtree containing (T0187)E226 jump= -0.972425 -0.0432145 0.205817 0.100807 -21.5349 -22.6126 57.07 # jumping subtree containing (T0187)N159 jump= -0.487304 -0.776089 0.398103 0.0416402 -64.3064 -186.226 68.7556 # Removing break before 101 # jumping subtree containing (T0187)L131 jump= 0.741552 0.616157 0.157906 0.213347 -31.5135 23.0411 61.7479 # jumping subtree containing (T0187)G192 jump= 0.988918 -0.124868 0.0247514 -0.0764018 1.53661 -32.018 -27.1752 # jumping subtree containing (T0187)G171 jump= 0.450053 0.72407 -0.399774 -0.336683 -88.8607 -174.466 58.867 # jumping subtree containing (T0187)E226 jump= 0.844738 0.500921 -0.1098 0.153097 -15.3713 -21.2988 102.353 # jumping subtree containing (T0187)N159 jump= 0.422531 -0.52362 0.20171 0.71176 -193.72 -57.721 -146.336 # jumping subtree containing (T0187)E218 jump= 0.0929574 -0.456413 -0.339499 0.817182 -178.631 -71.8043 -155.146 # jumping subtree containing (T0187)E226 jump= -0.999539 0.0197484 0.0229567 0.00198903 -25.1952 -3.86547 -8.94705 # generation 116: best score out of 40: T0187.try1-al4 70.3943 cost/residue, 231 clashes 0.0853975 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 202 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 113 ## OptSubtree 2430 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.538856 0.0561618 -0.540438 0.643744 -249.087 -12.9531 21.849 # jumping subtree containing (T0187)E226 jump= -0.492514 -0.211025 0.279252 0.796817 -114.005 -224.687 26.9998 # jumping subtree containing (T0187)E226 jump= -0.988833 -0.0798666 -0.0973105 0.0797535 32.7655 -19.5472 9.2858 # jumping subtree containing (T0187)E226 jump= -0.899066 -0.324697 0.292902 0.0214713 -40.0056 -67.9915 112.868 # jumping subtree containing (T0187)E226 jump= 0.889927 0.350038 -0.110462 -0.270741 4.20022 -79.0673 36.5796 # jumping subtree containing (T0187)D109 jump= -0.467306 -0.245713 0.353748 0.772083 -92.4411 -216.346 41.7681 # jumping subtree containing (T0187)D94 jump= -0.467984 -0.211323 -0.796461 0.319349 -118.083 -6.64467 -136.427 # jumping subtree containing (T0187)T116 jump= -0.989448 -0.0175997 0.0305936 -0.140525 -42.4822 35.9321 -13.7819 # generation 117: best score out of 40: T0187.try1-al4 70.3943 cost/residue, 231 clashes 0.0853975 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 204 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 113 ## OptSubtree 2453 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.643515 0.141699 0.746429 -0.0930207 -140.035 10.938 67.6522 # jumping subtree containing (T0187)E226 jump= 0.904872 0.419429 0.0615245 0.0387413 -10.6208 -17.9035 48.6093 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= -0.402775 -0.913881 0.0434709 0.0265395 10.1192 -209.409 60.9313 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T160 jump= -0.8907 0.00322052 0.421708 0.169722 -20.5348 -31.6922 113.677 # jumping subtree containing (T0187)E226 jump= 0.159589 0.638519 -0.728204 -0.191163 -249.143 -249.678 67.5028 # jumping subtree containing (T0187)D109 jump= 0.973586 -0.112932 -0.160248 0.117035 -59.1589 27.1362 16.7709 # jumping subtree containing (T0187)H164 jump= -0.999754 -0.00827171 -0.0165052 0.0122901 -19.2041 -10.3833 14.1383 # jumping subtree containing (T0187)T116 jump= 0.135687 -0.643839 0.752159 -0.0362839 -185.434 -195.669 -92.3466 # jumping subtree containing (T0187)E226 jump= 0.482252 -0.173247 0.836168 0.195555 -266.333 -38.1645 -121.166 # jumping subtree containing (T0187)G123 jump= -0.682189 -0.320643 -0.631201 0.182732 -8.36642 -8.02067 -113.799 # jumping subtree containing (T0187)E226 jump= -0.701222 -0.590024 0.0790908 -0.392306 -81.9184 -37.6274 101.999 # jumping subtree containing (T0187)E226 jump= 0.956685 -0.0103784 0.280989 0.0754341 -28.1275 25.2151 -47.4556 # jumping subtree containing (T0187)P91 jump= -0.420273 -0.419089 0.762624 -0.257178 -300.338 -104.658 112.162 # jumping subtree containing (T0187)N159 jump= -0.84314 -0.104899 -0.484034 -0.209339 -88.4489 52.4557 -87.7477 # jumping subtree containing (T0187)E157 jump= -0.634198 0.0371951 0.701526 -0.32291 -205.439 19.4398 62.2629 # jumping subtree containing (T0187)Q142 jump= -0.62294 -0.386965 -0.634333 0.244593 -70.4341 -12.9066 -174.177 # Removing break before 101 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= 0.447329 0.873506 0.0565328 -0.183541 0.0942192 -175.405 42.9252 # generation 118: best score out of 40: T0187.try1-al4 70.3942 cost/residue, 231 clashes 0.0853975 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 206 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 114 ## OptSubtree 2476 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= 0.185021 0.139399 -0.968384 -0.0925635 -279.881 -56.488 119.355 # jumping subtree containing (T0187)E226 jump= -0.959975 0.073257 0.264802 -0.0544104 -23.9229 -10.1034 52.5009 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= -0.990416 0.00182775 0.0540267 -0.127097 -23.6768 47.6971 16.2475 # jumping subtree containing (T0187)S225 jump= 0.0874951 0.652293 0.752847 0.00890453 -41.031 4.98396 1.93508 # jumping subtree containing (T0187)Q142 jump= 0.0404954 0.712073 0.363827 0.599118 -115.258 -144.099 207.612 # jumping subtree containing (T0187)E226 jump= 0.626244 -0.345792 0.257577 -0.649539 -70.9224 -259.864 -62.2228 # jumping subtree containing (T0187)D109 jump= -0.793065 -0.0631292 0.106437 -0.596434 -213.389 52.855 14.1567 # jumping subtree containing (T0187)G152 jump= 0.257095 0.393148 -0.645111 -0.602634 -230.742 -250.721 92.8209 # jumping subtree containing (T0187)T160 jump= 0.502209 0.765781 -0.362652 -0.172773 -70.1614 -238.046 148.252 # jumping subtree containing (T0187)E226 jump= 0.664145 0.130208 0.248554 -0.692949 -17.8603 -217.894 -104.856 # jumping subtree containing (T0187)E226 jump= -0.646083 0.571006 -0.252354 0.439142 -49.9053 -223.71 -64.0369 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)H164 jump= -0.380495 0.0223425 0.164628 0.909737 -152.326 -294.811 31.2024 # jumping subtree containing (T0187)T116 jump= 0.0809829 -0.327108 -0.893626 -0.296438 -172.411 10.9277 158.372 # jumping subtree containing (T0187)R172 jump= 0.997966 -0.0618204 0.00609476 -0.0142937 2.75586 20.8906 -5.90699 # jumping subtree containing (T0187)E226 jump= -0.861913 0.225151 -0.367906 -0.266565 -113.73 -3.91453 -104.894 # generation 119: best score out of 40: T0187.try1-al4 70.3942 cost/residue, 231 clashes 0.0853975 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 207 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 114 ## OptSubtree 2499 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= 0.99549 -0.0169022 0.0930963 -0.00684509 -7.68131 -23.708 -42.7475 # Removing break before 101 # jumping subtree containing (T0187)E226 jump= -0.379007 -0.492588 0.0640272 0.780776 -112.636 -270.274 -17.846 # jumping subtree containing (T0187)P205 jump= 0.908532 -0.398112 -0.0413917 -0.119849 25.9676 -73.1073 -38.0853 # jumping subtree containing (T0187)P205 jump= -0.840403 -0.392981 0.281066 0.245541 -14.9667 -133.017 111.508 # jumping subtree containing (T0187)T116 jump= 0.784465 0.435475 0.403501 -0.179341 18.0744 -5.2293 -5.88748 # jumping subtree containing (T0187)E226 jump= -0.999952 -0.00476211 -0.00824973 0.00212198 10.6406 -18.3514 -15.2755 # jumping subtree containing (T0187)A180 jump= -0.745683 0.16229 0.379213 0.523275 -8.25103 -184.604 147.968 # jumping subtree containing (T0187)E226 jump= -0.488981 -0.0663514 0.336002 0.802245 -102.127 -267.512 82.7967 # jumping subtree containing (T0187)P205 jump= 0.779547 0.225331 -0.461853 -0.358085 -48.5735 -146.361 136.464 # jumping subtree containing (T0187)L131 jump= 0.773932 0.00646718 0.479977 -0.413049 -21.9354 -131.173 -140.634 # jumping subtree containing (T0187)L131 jump= 0.847314 0.24263 -0.436097 0.181685 -96.2402 4.13068 156.732 # jumping subtree containing (T0187)E134 jump= 0.999777 -0.00331368 -0.00780415 0.0193384 19.3532 -2.18933 13.2691 # generation 120: best score out of 40: T0187.try1-al4 70.3942 cost/residue, 231 clashes 0.0853975 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 210 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 114 ## OptSubtree 2520 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.273643 0.66147 -0.0371711 0.697277 -92.3654 -241.12 67.1942 # jumping subtree containing (T0187)P91 jump= 0.438599 -0.378978 0.0824268 -0.810687 -78.8135 -321.494 -10.6457 # jumping subtree containing (T0187)H164 jump= 0.794859 -0.542969 -0.130448 0.237419 -38.3041 -21.282 -130.685 # Removing break before 89 # jumping subtree containing (T0187)E226 jump= -0.183059 -0.0650843 -0.606068 -0.771321 -256.415 -105.099 91.5499 # jumping subtree containing (T0187)P91 jump= 0.881535 0.0451327 0.231136 -0.409189 50.1588 -158.927 -55.648 # jumping subtree containing (T0187)G125 jump= 0.567231 0.642958 0.443334 0.261361 -22.1262 -26.3572 136.507 # jumping subtree containing (T0187)E226 jump= 0.415322 0.864196 -0.120711 -0.257103 -32.6994 -237.082 15.8759 # jumping subtree containing (T0187)E226 jump= 0.77134 -0.304306 0.224342 0.51196 -205.519 3.09297 -122.12 # jumping subtree containing (T0187)T160 jump= 0.826597 0.53799 -0.164674 -0.0136273 -6.25657 -76.2543 170.671 # generation 121: best score out of 40: T0187.try1-al4 70.3942 cost/residue, 231 clashes 0.0853977 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 216 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 114 ## OptSubtree 2538 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.460323 -0.499888 -0.0303203 0.733004 -51.0682 -258.139 -71.4831 # jumping subtree containing (T0187)G152 jump= 0.864208 -0.155748 0.140663 0.457276 -154.333 35.9449 -65.8326 # jumping subtree containing (T0187)I232 jump= -0.963691 0.137545 0.216834 0.0732404 -8.30682 -0.788465 24.4323 # jumping subtree containing (T0187)E226 jump= -0.889765 -0.138793 0.0828191 0.426843 39.1637 -146.513 59.3079 # jumping subtree containing (T0187)D109 jump= -0.180705 0.825889 -0.471634 -0.250628 -192.003 -295.396 -80.4582 # jumping subtree containing (T0187)E226 jump= 0.931813 -0.14872 0.0202997 0.330446 -109.895 49.1466 -40.5823 # jumping subtree containing (T0187)L240 jump= 0.814976 -0.538899 -0.0952856 0.190588 -28.4139 -1.24207 -101.902 # jumping subtree containing (T0187)E226 jump= -0.987089 -0.0514188 -0.0631853 0.137912 8.5719 -41.6002 4.03273 # jumping subtree containing (T0187)E226 jump= -0.739483 0.233503 0.536695 0.332565 -9.49344 -82.3995 143.445 # jumping subtree containing (T0187)E134 jump= -0.967392 -0.184001 -0.146779 -0.093558 -53.5167 11.1555 20.6031 # jumping subtree containing (T0187)P91 jump= -0.996692 -0.0443211 -0.0655234 -0.0186374 20.8626 2.09824 -11.1699 # generation 122: best score out of 40: T0187.try1-al4 70.3942 cost/residue, 231 clashes 0.0853977 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 222 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 114 ## OptSubtree 2556 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R162 jump= -0.85307 -0.448126 -0.0208604 0.266495 37.3109 -129.434 63.007 # jumping subtree containing (T0187)L120 jump= -0.658982 0.239678 -0.351568 0.620239 -56.2349 -262.637 -112.681 # jumping subtree containing (T0187)E226 jump= 0.951135 0.132296 0.270212 -0.0694635 -17.899 -12.5068 -50.7811 # jumping subtree containing (T0187)E226 jump= -0.786627 -0.435562 0.0178374 -0.437247 -126.887 28.9892 137.188 # jumping subtree containing (T0187)E226 jump= -0.8812 0.0836666 -0.46523 0.00685018 -71.9852 -7.75239 -117.615 # jumping subtree containing (T0187)L131 jump= -0.323956 0.0332391 -0.941627 -0.0853578 -261.626 -7.98583 -55.6898 # jumping subtree containing (T0187)T116 jump= 0.175056 -0.512477 0.770915 0.335281 -318.552 -205.771 4.08919 # jumping subtree containing (T0187)E226 jump= -0.985548 0.108417 -0.0196367 -0.128671 -56.1414 14.3798 -31.2629 # jumping subtree containing (T0187)E226 jump= 0.748686 0.230942 -0.574646 -0.236469 -92.7024 -83.5841 177.757 # jumping subtree containing (T0187)P91 jump= 0.450376 -0.170148 0.430922 0.763229 -309.453 -73.2935 -3.31102 # jumping subtree containing (T0187)T160 jump= 0.716227 0.501861 -0.476733 -0.0887615 -108.794 -126.207 205.904 # Removing break before 127 # jumping subtree containing (T0187)E226 jump= -0.539798 -0.586125 -0.570321 0.199523 21.9548 -13.005 -55.8359 # jumping subtree containing (T0187)E226 jump= 0.979289 -0.0503036 0.0150373 0.195543 -59.1616 44.2888 -39.4299 # jumping subtree containing (T0187)I141 jump= 0.88329 -0.313347 -0.0250525 -0.347828 34.6516 -140.492 -39.4957 # jumping subtree containing (T0187)A180 jump= 0.98615 -0.15198 0.0422568 -0.051226 -9.24625 -15.8224 -38.6756 # jumping subtree containing (T0187)E134 jump= -0.917946 0.315208 0.076796 0.2283 63.9931 -92.6414 -40.9097 # jumping subtree containing (T0187)E226 jump= -0.123697 -0.921675 -0.239856 -0.278719 3.76493 -136.896 102.493 # jumping subtree containing (T0187)L131 jump= -0.781579 -0.10508 -0.160133 0.593675 47.2648 -223.253 -69.5279 # jumping subtree containing (T0187)E226 jump= 0.106222 -0.899553 0.225007 -0.359016 -73.0574 -276.726 62.1513 # jumping subtree containing (T0187)P205 jump= 0.0814058 0.00623378 -0.0840783 0.993109 -321.142 -197.042 -10.0881 # jumping subtree containing (T0187)E226 jump= -0.148958 0.539271 -0.828649 0.0184057 -272.593 -173.921 -60.163 # jumping subtree containing (T0187)Q234 jump= -0.717244 -0.0951409 -0.191385 -0.663235 -228.979 31.4203 15.4204 # generation 123: best score out of 40: T0187.try1-al4 70.3941 cost/residue, 231 clashes 0.0853982 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 223 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 114 ## OptSubtree 2579 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.0956988 -0.315291 -0.0850353 -0.94032 -229.433 -198.379 102.644 # jumping subtree containing (T0187)T116 jump= 0.972009 0.182734 -0.0764583 0.126339 -53.0339 27.3086 84.8076 # jumping subtree containing (T0187)E226 jump= 0.740351 0.279091 -0.587685 -0.169156 -114.945 -103.265 198.301 # jumping subtree containing (T0187)T116 jump= -0.731784 -0.399897 0.0210918 -0.55148 -219.432 -16.7206 143.139 # jumping subtree containing (T0187)E218 jump= 0.998532 -0.00836512 0.0492585 -0.0208962 -12.8214 -18.4543 -8.25741 # jumping subtree containing (T0187)P237 jump= 0.414217 0.412613 -0.790805 0.181112 -285.127 -115.378 125.922 # jumping subtree containing (T0187)T116 jump= 0.994796 -0.056749 0.022776 0.0814978 -41.6142 5.11866 -36.8373 # jumping subtree containing (T0187)T116 jump= 0.950294 0.0703735 -0.299436 0.0482283 -21.713 5.09319 112.823 # generation 124: best score out of 40: T0187.try1-al4 70.394 cost/residue, 231 clashes 0.0853974 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 168 ## TwoFragment 24 ## CrossOver 227 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 114 ## OptSubtree 2599 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G192 jump= 0.357471 0.720617 -0.518245 0.290427 -230.242 -204.55 136.548 # Removing break before 127 # jumping subtree containing (T0187)P91 jump= 0.9597 0.00176923 0.220971 0.173624 -59.3861 31.6151 -40.3619 # jumping subtree containing (T0187)E226 jump= -0.409111 0.068721 0.1502 0.897411 -138.557 -264.767 71.9034 # jumping subtree containing (T0187)E226 jump= -0.415802 -0.36134 0.523487 0.650003 -186.932 -250.335 108.872 # jumping subtree containing (T0187)H164 jump= 0.34369 -0.245615 -0.875606 0.234232 -154.088 67.5215 27.9552 # jumping subtree containing (T0187)G152 jump= 0.0887355 -0.0841414 -0.752344 -0.647321 -238.402 -97.5666 149.016 # jumping subtree containing (T0187)E226 jump= -0.0461331 -0.659722 0.128386 0.739023 -165.598 -257.881 -109.911 # jumping subtree containing (T0187)E226 jump= -0.855298 -0.118872 0.499792 -0.067393 -83.7009 6.32625 112.283 # jumping subtree containing (T0187)E226 jump= 0.936662 -0.0278335 -0.17319 -0.30314 21.3688 -97.9082 59.1256 # jumping subtree containing (T0187)E226 jump= 0.0473407 0.606577 -0.751741 -0.254379 -283.434 -233.88 7.63555 # jumping subtree containing (T0187)E226 jump= 0.358571 0.669255 -0.202694 0.618417 -190.316 -154.911 134.403 # jumping subtree containing (T0187)G192 jump= 0.602402 -0.783342 0.0307286 0.150144 -34.7442 -125.948 -146.917 # generation 125: best score out of 40: T0187.try1-al4 70.2439 cost/residue, 242 clashes 0.0853979 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 169 ## TwoFragment 24 ## CrossOver 231 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 114 ## OptSubtree 2618 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.803361 -0.215558 -0.139608 -0.537266 9.25376 -180.258 62.188 # jumping subtree containing (T0187)N159 jump= -0.212057 0.920931 -0.293058 0.145033 -84.373 -289.803 22.526 # jumping subtree containing (T0187)P91 jump= 0.312736 -0.911446 0.20097 -0.176277 -56.3369 -314.731 -46.0459 # jumping subtree containing (T0187)E226 jump= -0.0822977 0.528971 0.267529 -0.801153 -170.293 -162.933 -152.053 # jumping subtree containing (T0187)Q142 jump= -0.582982 0.493504 0.604419 -0.226414 -54.0767 21.648 10.5781 # jumping subtree containing (T0187)P205 jump= -0.40742 0.145487 0.893263 0.12216 -191.478 23.3885 148.91 # jumping subtree containing (T0187)E226 jump= -0.643875 0.474116 -0.073701 0.595993 -29.7989 -250.486 -21.2715 # jumping subtree containing (T0187)E226 jump= -0.581339 0.432138 0.189782 0.662786 -21.359 -209.091 84.4721 # jumping subtree containing (T0187)I232 jump= 0.682266 0.392844 -0.413433 0.457449 -222.843 -16.971 134.758 # generation 126: best score out of 40: T0187.try1-al4 70.2439 cost/residue, 242 clashes 0.0853979 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 169 ## TwoFragment 24 ## CrossOver 232 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 114 ## OptSubtree 2648 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G192 jump= 0.594908 -0.274532 -0.380711 -0.652515 -70.9781 -195.182 125.345 # jumping subtree containing (T0187)A180 jump= -0.124165 -0.179915 0.973269 -0.0704339 -329.581 -68.0208 32.0374 # jumping subtree containing (T0187)E134 jump= -0.412898 -0.704056 0.226252 0.53163 -80.755 -288.542 48.7191 # jumping subtree containing (T0187)G171 jump= -0.866129 0.0541166 0.121137 -0.48189 -187.325 39.9294 -14.6668 # jumping subtree containing (T0187)E226 jump= -0.787397 -0.58879 0.162825 -0.0825856 -48.6656 -90.5757 144.789 # jumping subtree containing (T0187)H164 jump= 0.822043 0.288653 -0.4564 0.180619 -149.272 -19.3681 150.192 # Removing break before 127 # jumping subtree containing (T0187)P205 jump= -0.339426 0.743751 0.552301 0.163058 -19.6835 -37.0456 57.2643 # jumping subtree containing (T0187)E226 jump= -0.969052 -0.0742365 0.0754221 0.223023 10.7591 -79.8501 50.5782 # Removing break moved up 3 to before 54 # generation 127: best score out of 40: T0187.try1-al4 70.2439 cost/residue, 242 clashes 0.085398 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 169 ## TwoFragment 24 ## CrossOver 234 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 114 ## OptSubtree 2678 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H164 jump= 0.97855 0.11192 0.158702 -0.068755 27.2555 -19.5124 -29.0078 # jumping subtree containing (T0187)G192 jump= -0.967934 -0.141368 -0.201448 -0.0503734 -38.3382 3.73051 -23.5774 # jumping subtree containing (T0187)L131 jump= -0.922005 -0.333571 0.081654 -0.178801 -41.413 29.8249 120.387 # jumping subtree containing (T0187)E134 jump= -0.634422 -0.769134 0.0730755 -0.0245055 -31.7587 -150.521 146.039 # jumping subtree containing (T0187)E226 jump= -0.0346486 -0.18561 0.617766 -0.763356 -277.587 -147.959 -79.5604 # jumping subtree containing (T0187)Q110 jump= 0.752356 0.413659 0.0466299 -0.510561 29.5139 -208.8 28.0867 # jumping subtree containing (T0187)L121 jump= 0.972466 0.177929 -0.0632919 -0.136551 6.94261 -37.6265 63.8427 # jumping subtree containing (T0187)E226 jump= 0.130189 0.207217 0.717095 0.6526 -225.812 -64.2992 114.71 # jumping subtree containing (T0187)E226 jump= 0.984313 0.0171967 -0.167367 0.0531067 -32.4633 3.87621 26.0647 # jumping subtree containing (T0187)P91 jump= 0.247006 0.831815 0.36603 0.336294 -9.54231 -115.338 149.712 # jumping subtree containing (T0187)N159 jump= 0.924845 -0.256123 0.247558 0.133331 -66.9112 -15.0312 -106.221 # jumping subtree containing (T0187)E226 jump= -0.288732 0.0424389 0.768453 -0.569485 -267.327 -8.79119 -73.6303 # jumping subtree containing (T0187)P205 jump= 0.975362 0.186489 -0.117349 0.0109848 -28.6802 10.4618 71.981 # generation 128: best score out of 40: T0187.try1-al4 70.2438 cost/residue, 242 clashes 0.0853984 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 169 ## TwoFragment 24 ## CrossOver 239 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 114 ## OptSubtree 2697 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H164 jump= -0.0853024 -0.408055 0.889772 -0.185798 -310.424 -124.255 39.1467 # jumping subtree containing (T0187)P91 jump= 0.928242 -0.330535 -0.15645 0.0680949 7.69562 -21.9918 -47.2483 # jumping subtree containing (T0187)E226 jump= -0.906793 -0.0774676 -0.0506391 0.411291 29.4676 -155.051 -3.81049 # jumping subtree containing (T0187)E134 jump= -0.623604 0.357359 -0.246242 0.650214 -65.2477 -270.271 -77.4753 # jumping subtree containing (T0187)E226 jump= 0.706566 0.631201 -0.0638021 -0.313495 36.313 -169.233 66.5396 # jumping subtree containing (T0187)E226 jump= 0.991867 0.00967083 0.107773 0.0670224 -27.7016 -0.391954 -39.64 # jumping subtree containing (T0187)E218 jump= 0.280454 -0.0259948 0.193565 -0.939788 -196.631 -292.243 -60.7241 # jumping subtree containing (T0187)S208 jump= 0.76271 -0.536943 -0.101247 0.345998 -84.4148 -23.948 -128.747 # jumping subtree containing (T0187)E134 jump= -0.289452 -0.57892 0.727424 0.227867 -253.68 -244.506 159.533 # jumping subtree containing (T0187)E226 jump= -0.157792 0.965559 -0.158272 -0.133219 -46.1356 -252.022 -64.8673 # jumping subtree containing (T0187)R172 jump= -0.987586 0.0536548 0.09175 0.115663 24.7091 -57.9317 11.9829 # jumping subtree containing (T0187)P205 jump= 0.166197 -0.532505 0.409828 -0.721705 -210.406 -274.832 21.8726 # jumping subtree containing (T0187)R162 jump= 0.201571 -0.711694 -0.580233 0.340868 -35.1174 -6.66681 -72.5909 # generation 129: best score out of 40: T0187.try1-al4 70.2438 cost/residue, 242 clashes 0.0853984 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 169 ## TwoFragment 24 ## CrossOver 241 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 114 ## OptSubtree 2719 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= -0.546129 -0.448598 -0.432119 -0.560157 -182.015 -32.8964 189.207 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T160 jump= 0.999424 -0.0133914 -0.0136986 0.0279953 -5.0715 9.94435 -2.12571 # jumping subtree containing (T0187)T116 jump= 0.963389 0.171136 -0.189221 -0.0824011 -7.67424 -12.6873 88.2834 # jumping subtree containing (T0187)E226 jump= -0.994744 0.0456309 -0.0671699 -0.062378 -21.7595 38.5438 -32.4986 # jumping subtree containing (T0187)E134 jump= -0.834374 0.382641 -0.396744 0.000576495 -88.4488 -91.3515 -173.281 # jumping subtree containing (T0187)L131 jump= 0.295303 0.371575 -0.171178 0.863381 -278.583 -204.84 79.7508 # jumping subtree containing (T0187)E226 jump= 0.690056 0.632124 -0.0221011 -0.351787 7.27371 -168.584 42.303 # jumping subtree containing (T0187)E156 jump= -0.0584986 0.493468 -0.341388 0.797823 -226.781 -333.509 -0.784135 # jumping subtree containing (T0187)E226 jump= -0.156465 0.217915 0.276872 -0.922699 -269.814 -151.304 -128.519 # jumping subtree containing (T0187)G124 jump= -0.16849 -0.266888 -0.0955277 0.944064 -202.704 -275.421 -79.6595 # jumping subtree containing (T0187)A180 jump= 0.808954 -0.0160965 -0.240599 -0.53614 30.2276 -214.954 85.6963 # jumping subtree containing (T0187)N159 jump= 0.986919 -0.160592 0.00746019 0.0120414 10.2365 -17.1757 -36.051 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= 0.98486 -0.114345 -0.0222554 -0.128377 24.4043 -24.6797 9.91287 # jumping subtree containing (T0187)E226 jump= 0.618312 0.142053 -0.720126 -0.280944 -153.433 -73.9363 169.834 # jumping subtree containing (T0187)Q142 jump= -0.153214 0.873237 0.334434 0.319587 13.4683 -136.518 135.387 # generation 130: best score out of 40: T0187.try1-al4 70.0616 cost/residue, 250 clashes 0.0766078 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 170 ## TwoFragment 24 ## CrossOver 246 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 114 ## OptSubtree 2739 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T116 jump= 0.313372 0.792167 -0.138768 -0.504989 -55.6597 -300.321 -16.9373 # jumping subtree containing (T0187)E226 jump= -0.70494 0.49242 0.00468088 -0.510452 -145.567 -15.9246 -171.003 # jumping subtree containing (T0187)E134 jump= -0.440936 0.038528 0.203505 0.873314 -102.462 -328.134 74.3922 # jumping subtree containing (T0187)E226 jump= -0.316805 -0.23472 0.129955 0.909754 -129.333 -375.309 13.011 # jumping subtree containing (T0187)T116 jump= -0.986666 0.110719 -0.0948431 -0.0723606 -34.1128 -9.83823 -43.5979 # jumping subtree containing (T0187)T116 jump= -0.784469 0.106049 -0.276002 -0.545147 -193.099 18.9777 -35.5361 # jumping subtree containing (T0187)P91 jump= -0.903826 -0.199829 0.23372 -0.297559 -131.874 4.27826 111.121 # jumping subtree containing (T0187)T116 jump= 0.263441 -0.631218 -0.3993 0.610509 -86.4858 -63.8693 -144.769 # jumping subtree containing (T0187)L131 jump= -0.758836 -0.543582 0.278754 0.225794 -9.04581 -164.011 169.922 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= 0.19301 -0.947382 0.250431 0.0499924 -77.3593 -328.856 -25.9687 # jumping subtree containing (T0187)E226 jump= 0.683955 -0.459263 -0.119779 0.554017 -152.183 -8.9264 -120.438 # jumping subtree containing (T0187)G171 jump= 0.759559 0.163894 -0.0810612 0.62421 -224.747 10.2591 84.9343 # jumping subtree containing (T0187)T116 jump= 0.531691 0.719401 -0.150343 -0.42091 -9.00728 -246.538 90.4199 # generation 131: best score out of 40: T0187.try1-al4 70.0616 cost/residue, 250 clashes 0.0766078 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 170 ## TwoFragment 24 ## CrossOver 250 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 114 ## OptSubtree 2763 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.843325 -0.509417 -0.162143 -0.0548329 24.5876 -106.079 -71.3785 # jumping subtree containing (T0187)L105 jump= 0.565602 -0.363085 -0.294995 0.679148 -210.512 -92.7172 -128.891 # jumping subtree containing (T0187)T160 jump= 0.99335 0.0319905 0.0112171 -0.110026 4.62805 -31.0249 -6.31938 # jumping subtree containing (T0187)R162 jump= -0.385359 0.581133 0.54631 0.464035 37.562 -120.203 124.435 # jumping subtree containing (T0187)E226 jump= -0.149954 0.0182198 -0.988525 0.000920937 -270.058 7.23145 0.233274 # jumping subtree containing (T0187)T160 jump= -0.902521 -0.276891 -0.329737 0.00782006 -13.365 8.81498 24.8616 # jumping subtree containing (T0187)E226 jump= 0.701994 -0.293761 0.186735 -0.621321 -15.8359 -271.966 -59.0884 # jumping subtree containing (T0187)L131 jump= -0.976216 0.151715 0.00484113 -0.154794 -37.0478 29.6899 -71.3154 # jumping subtree containing (T0187)E226 jump= 0.474722 0.581857 0.621875 -0.222154 26.1973 -43.5712 -36.5452 # jumping subtree containing (T0187)R162 jump= 0.949722 0.0562184 -0.23467 -0.199495 41.7979 -82.1044 95.124 # jumping subtree containing (T0187)E226 jump= 0.209921 0.479493 -0.331124 -0.785097 -203.41 -284.756 17.391 # jumping subtree containing (T0187)P91 jump= 0.875518 -0.0354315 -0.243873 -0.415619 64.4936 -137.62 90.7989 # jumping subtree containing (T0187)E226 jump= -0.753052 0.450817 0.0558984 0.475976 7.95288 -177.653 -1.29689 # jumping subtree containing (T0187)Q142 jump= -0.955253 -0.26477 0.0599885 0.117431 38.4845 -57.7854 80.5793 # jumping subtree containing (T0187)Q142 jump= -0.262454 0.814524 0.361885 -0.369741 -3.63785 -163.917 -173.308 # jumping subtree containing (T0187)P205 jump= 0.712182 0.688829 -0.109405 0.0796341 -27.4903 -132.788 220.468 # jumping subtree containing (T0187)E226 jump= 0.999578 0.0245016 -0.010159 0.0118404 -5.37341 -10.471 20.9423 # generation 132: best score out of 40: T0187.try1-al4 69.846 cost/residue, 299 clashes 0.0766078 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 171 ## TwoFragment 24 ## CrossOver 252 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 114 ## OptSubtree 2793 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= -0.375715 -0.461506 0.798053 0.0946691 -261.454 -179.204 131.588 # jumping subtree containing (T0187)P91 jump= -0.980972 -0.0482212 0.0525349 0.180581 21.5482 -53.3019 39.6382 # jumping subtree containing (T0187)S225 jump= -0.727959 -0.430758 -0.510581 -0.154372 -63.7898 43.2009 53.7055 # jumping subtree containing (T0187)E226 jump= -0.723406 -0.162159 -0.59848 -0.303659 -201.046 36.2646 16.3444 # jumping subtree containing (T0187)E226 jump= 0.501637 0.472917 0.721274 0.0668911 -72.3223 36.8155 18.7526 # jumping subtree containing (T0187)E226 jump= -0.90416 0.316146 -0.249415 -0.142611 -103.495 -26.7993 -130.169 # Removing break moved up 3 to before 54 # Removing break before 101 # jumping subtree containing (T0187)E226 jump= 0.990823 0.0213546 -0.105402 0.0818781 -3.23722 24.3447 16.3415 # jumping subtree containing (T0187)R162 jump= 0.344844 0.687041 -0.233033 0.595611 -224.256 -251.313 140.421 # jumping subtree containing (T0187)P91 jump= -0.996139 -0.0820461 -0.0113546 0.0291003 -12.3643 -5.88322 24.1392 # generation 133: best score out of 40: T0187.try1-al4 69.846 cost/residue, 299 clashes 0.0766078 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 172 ## TwoFragment 24 ## CrossOver 252 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 115 ## OptSubtree 2815 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= -0.794433 -0.104193 -0.59698 -0.0404351 -70.623 20.005 -62.6114 # jumping subtree containing (T0187)A180 jump= 0.215118 -0.364686 -0.156813 -0.892266 -140.412 -325.099 112.823 # jumping subtree containing (T0187)L131 jump= 0.333602 -0.0788322 0.37687 0.860503 -321.402 -149.162 55.0037 # jumping subtree containing (T0187)E226 jump= 0.929215 0.143014 0.0612627 0.335191 -115.622 25.9616 41.7192 # jumping subtree containing (T0187)A180 jump= -0.92404 -0.173513 0.115684 0.320407 44.8035 -122.722 48.8037 # jumping subtree containing (T0187)G170 jump= -0.489325 -0.770632 0.406356 -0.0395244 -131.65 -237.438 165.075 # jumping subtree containing (T0187)E226 jump= -0.815972 0.195754 0.34878 -0.4174 -136.227 38.7691 -25.7172 # jumping subtree containing (T0187)T116 jump= 0.999956 0.00816863 -0.0027425 -0.00365492 4.41954 -22.9253 6.38478 # jumping subtree containing (T0187)G171 jump= 0.977567 0.0374584 0.15461 -0.138042 33.9755 -26.1975 -55.1943 # jumping subtree containing (T0187)T116 jump= -0.990234 0.0193326 -0.0624519 0.123134 45.4898 -21.3276 -25.5118 # jumping subtree containing (T0187)A180 jump= 0.511711 -0.00302063 -0.855301 0.081252 -214.665 -1.16285 120.474 # jumping subtree containing (T0187)P202 jump= -0.646122 -0.181689 0.57519 0.467623 -26.5714 -174.457 226.563 # jumping subtree containing (T0187)E226 jump= 0.77579 0.561114 0.286648 -0.0336848 32.6989 -29.1055 106.016 # jumping subtree containing (T0187)H164 jump= 0.23485 -0.140104 -0.241716 -0.931016 -128.112 -327.641 101.869 # jumping subtree containing (T0187)E226 jump= 0.70517 -0.0774151 0.0522025 0.702864 -263.437 -12.7144 -33.4939 # jumping subtree containing (T0187)E218 jump= 0.397394 0.69915 -0.588269 -0.0848931 -198.943 -229.476 172.852 # generation 134: best score out of 40: T0187.try1-al4 69.7174 cost/residue, 298 clashes 0.0714328 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 172 ## TwoFragment 24 ## CrossOver 259 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 115 ## OptSubtree 2841 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.149685 -0.18119 -0.970487 0.0540367 -207.078 22.7481 54.2729 # jumping subtree containing (T0187)H164 jump= -0.905222 -0.178394 -0.0382439 0.383779 86.7731 -133.087 22.1378 # jumping subtree containing (T0187)N159 jump= 0.989652 0.125981 -0.0624473 0.0286165 5.96779 5.59714 72.6944 # jumping subtree containing (T0187)E226 jump= -0.397108 0.653481 0.187217 0.616618 -5.94049 -317.895 106.625 # Removing break before 127 # jumping subtree containing (T0187)P91 jump= -0.830795 0.39156 -0.373045 -0.131522 -139.019 -48.0953 -164.008 # jumping subtree containing (T0187)N159 jump= 0.964546 -0.227688 -0.07795 -0.108316 19.3564 -54.8682 -35.1704 # jumping subtree containing (T0187)G192 jump= -0.436247 -0.788925 0.121647 -0.415317 -143.024 -208.05 191.246 # jumping subtree containing (T0187)T116 jump= 0.873852 -0.117137 -0.448294 0.147286 -92.4363 43.9794 29.1379 # jumping subtree containing (T0187)E226 jump= -0.927861 0.139796 0.222688 -0.264464 -84.4377 57.9822 -29.2198 # jumping subtree containing (T0187)A180 jump= -0.367241 -0.839041 0.227329 0.330857 -55.812 -303.911 59.4203 # jumping subtree containing (T0187)V117 jump= -0.761073 0.154829 -0.429766 -0.46054 -240.541 5.39062 -85.0848 # jumping subtree containing (T0187)L131 jump= 0.843952 0.489027 0.130839 -0.177425 49.7596 -73.8146 76.1173 # jumping subtree containing (T0187)L131 jump= 0.469717 0.666381 0.198204 -0.544075 -0.852215 -251.27 -57.3359 # generation 135: best score out of 40: T0187.try1-al4 69.7174 cost/residue, 298 clashes 0.0714328 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 173 ## TwoFragment 24 ## CrossOver 259 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 116 ## OptSubtree 2873 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P205 jump= 0.553344 0.419505 0.425548 0.580288 -183.525 -44.1294 184.435 # jumping subtree containing (T0187)E226 jump= 0.0346747 0.198902 0.00960901 0.979359 -265.703 -297.29 77.5068 # jumping subtree containing (T0187)E226 jump= 0.385868 0.395433 0.701051 0.45085 -160.051 21.0385 166.035 # jumping subtree containing (T0187)G125 jump= -0.986162 0.0766826 0.145119 -0.0233592 -5.89609 24.8375 35.7686 # Removing break before 101 # jumping subtree containing (T0187)R162 jump= 0.508634 -0.445377 0.00563472 0.736817 -252.606 -85.0153 -151.402 # jumping subtree containing (T0187)P91 jump= 0.284816 -0.928658 0.00625774 0.237561 -39.9851 -214.372 -126.728 # jumping subtree containing (T0187)Q142 jump= 0.878079 -0.477512 -0.00504561 0.030562 9.88872 -53.4635 -109.094 # jumping subtree containing (T0187)E226 jump= -0.497326 0.210404 -0.815683 0.207503 -209.078 -85.6908 -136.979 # jumping subtree containing (T0187)L131 jump= 0.983905 -0.168932 0.0163022 -0.0559292 36.0735 -14.8472 -42.2097 # jumping subtree containing (T0187)E226 jump= 0.355751 -0.208045 -0.000215536 0.91113 -271.816 -172.799 -58.4686 # jumping subtree containing (T0187)E226 jump= -0.812833 0.44883 -0.2733 0.25132 -11.3151 -190.304 -127.604 # jumping subtree containing (T0187)A203 jump= 0.976211 0.0472565 -0.052002 0.205121 -73.9301 56.2208 31.7302 # generation 136: best score out of 40: T0187.try1-al4 69.5892 cost/residue, 281 clashes 0.0714328 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 174 ## TwoFragment 24 ## CrossOver 260 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 117 ## OptSubtree 2903 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= 0.310216 0.366704 -0.0834745 -0.873113 -121.088 -374.468 -8.42396 # jumping subtree containing (T0187)L131 jump= -0.686851 -0.518314 0.3169 0.398949 -37.8808 -217.714 130.254 # jumping subtree containing (T0187)E226 jump= 0.056661 -0.2641 0.27704 -0.922112 -257.14 -297.32 -30.1322 # jumping subtree containing (T0187)G192 jump= -0.979982 -0.125042 -0.107943 0.111119 10.5262 -25.495 -8.95149 # jumping subtree containing (T0187)Q142 jump= 0.978162 0.144277 -0.114037 -0.0968437 22.8612 -35.3767 53.7758 # jumping subtree containing (T0187)E226 jump= 0.221001 0.357625 0.371423 0.827833 -243.733 -148.858 167.465 # jumping subtree containing (T0187)G125 jump= -0.743394 0.47544 0.464418 -0.0750847 -19.7235 -15.1681 -12.5586 # generation 137: best score out of 40: T0187.try1-al4 69.5775 cost/residue, 282 clashes 0.069097 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 174 ## TwoFragment 24 ## CrossOver 262 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 117 ## OptSubtree 2925 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= 0.993882 -0.0509954 -0.0710456 0.0674637 -34.3436 4.96224 -9.37518 # jumping subtree containing (T0187)E226 jump= 0.998852 -0.00445176 0.00447923 0.04749 -4.43492 -9.09468 -8.22462 # jumping subtree containing (T0187)G171 jump= -0.782496 -0.446702 -0.099846 -0.422122 -156.794 -22.7188 163.76 # jumping subtree containing (T0187)A180 jump= 0.990723 0.1184 -0.0430311 -0.050973 10.5557 2.98622 60.3085 # jumping subtree containing (T0187)E157 jump= -0.992994 0.0181197 0.0234738 -0.11438 -23.1486 11.3778 21.7655 # jumping subtree containing (T0187)E130 jump= 0.782283 0.0150271 0.0376609 0.621602 -248.621 5.59801 10.7662 # jumping subtree containing (T0187)A180 jump= -0.590663 -0.0961295 0.318114 -0.735309 -315.342 -64.479 7.1007 # jumping subtree containing (T0187)G171 jump= -0.69659 0.415449 -0.114218 0.573689 -4.80741 -257.951 -49.7364 # jumping subtree containing (T0187)G125 jump= 0.853021 0.230639 -0.459525 0.0894304 -104.217 -27.6171 187.978 # jumping subtree containing (T0187)E226 jump= 0.317506 -0.929394 0.0710774 -0.174257 -14.9195 -315.076 -27.269 # jumping subtree containing (T0187)E226 jump= 0.571349 -0.0621502 0.512795 -0.637761 -85.1848 -237.45 -152.118 # jumping subtree containing (T0187)F129 jump= 0.451951 -0.517909 -0.513109 0.514033 -127.642 -33.4174 -121.864 # jumping subtree containing (T0187)L131 jump= -0.508113 -0.581113 -0.63552 -0.0156058 8.35153 0.0441468 20.6915 # jumping subtree containing (T0187)H164 jump= 0.000749288 -0.724905 0.608552 0.322765 -249.692 -306.387 40.9848 # generation 138: best score out of 40: T0187.try1-al4 69.5768 cost/residue, 282 clashes 0.0690971 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 174 ## TwoFragment 24 ## CrossOver 264 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 117 ## OptSubtree 2956 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.797905 -0.460165 0.328958 0.208286 -118.278 -85.7092 -160.626 # jumping subtree containing (T0187)N159 jump= -0.459076 -0.0848902 0.7352 -0.49145 -247.317 -11.5181 18.7488 # jumping subtree containing (T0187)E226 jump= -0.084921 0.976606 -0.0863694 0.177681 -15.4395 -326.255 69.7535 # jumping subtree containing (T0187)N159 jump= -0.284898 -0.490528 0.392031 -0.724242 -279.476 -220.503 83.3858 # jumping subtree containing (T0187)P91 jump= -0.889886 -0.270604 -0.361123 0.0668285 12.5941 -9.38604 -23.2163 # jumping subtree containing (T0187)E130 jump= 0.997351 -0.070025 -0.00172334 -0.0195853 -1.13045 -3.83196 -47.7748 # jumping subtree containing (T0187)A180 jump= -0.940174 -0.313359 -0.120259 0.0584485 29.3805 -12.6291 56.4442 # jumping subtree containing (T0187)A180 jump= 0.241927 0.500051 0.370823 -0.744252 -91.0822 -232.358 -156.862 # jumping subtree containing (T0187)Q142 jump= -0.82972 0.102915 0.533514 -0.127811 -111.647 32.7507 50.3085 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G125 jump= 0.192547 -0.572967 -0.61538 0.505907 -78.5433 -95.5863 -158.598 # generation 139: best score out of 40: T0187.try1-al4 69.5729 cost/residue, 281 clashes 0.069097 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 175 ## TwoFragment 24 ## CrossOver 268 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 120 ## OptSubtree 2983 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G192 jump= -0.919468 -0.00331537 -0.141991 -0.366615 -156.647 36.6312 -12.5841 # Removing break before 101 # jumping subtree containing (T0187)N159 jump= 0.0867312 -0.851188 -0.0525702 -0.514968 -27.0165 -316.325 99.1109 # jumping subtree containing (T0187)G192 jump= -0.993032 -0.109739 0.0169663 -0.0394446 -36.893 13.7236 48.9679 # jumping subtree containing (T0187)G192 jump= -0.810653 -0.334481 0.469198 -0.104012 -129.529 -23.6974 188.241 # jumping subtree containing (T0187)I158 jump= -0.344837 -0.0866265 -0.331543 -0.873878 -271.789 -185.934 108.812 # jumping subtree containing (T0187)H164 jump= 0.971419 -0.130075 -0.187487 0.0653767 -25.6575 -5.8112 11.6237 # jumping subtree containing (T0187)T160 jump= 0.982358 0.141064 0.112654 0.048806 -17.1592 10.0858 22.6721 # jumping subtree containing (T0187)E226 jump= -0.250274 0.0239382 0.760996 0.59806 -164.211 -163.936 206.675 # jumping subtree containing (T0187)T160 jump= 0.981826 -0.0536745 -0.117888 0.138702 -51.4495 24.0322 -2.4907 # jumping subtree containing (T0187)G192 jump= 0.59866 0.397956 -0.653121 0.238056 -254.319 -106.787 151.01 # jumping subtree containing (T0187)N159 jump= 0.997865 0.0129701 0.0527441 0.0362688 -2.23361 8.93661 -29.1593 # generation 140: best score out of 40: T0187.try1-al4 69.5723 cost/residue, 281 clashes 0.0690973 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 175 ## TwoFragment 24 ## CrossOver 268 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 120 ## OptSubtree 3015 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G192 jump= 0.135372 0.769636 0.215516 -0.585566 -1.86912 -243.819 -113.102 # jumping subtree containing (T0187)E156 jump= -0.972273 0.0643228 0.222748 0.0305009 -13.5364 8.4214 22.9469 # jumping subtree containing (T0187)E157 jump= 0.860228 -0.392284 0.315913 0.079493 -68.7669 -73.2414 -141.86 # jumping subtree containing (T0187)N159 jump= -0.108629 0.861369 -0.347458 -0.354282 -139.703 -332.006 -42.018 # jumping subtree containing (T0187)Q142 jump= 0.51555 0.791094 0.0304053 -0.327802 34.0974 -301.489 106.896 # jumping subtree containing (T0187)T160 jump= -0.994004 -0.0101376 -0.0959963 -0.0513557 -20.2108 22.6233 -38.2183 # jumping subtree containing (T0187)G170 jump= -0.827939 0.332315 0.40037 -0.209255 -55.5106 11.3394 -42.8277 # jumping subtree containing (T0187)P91 jump= 0.427585 0.238849 -0.252607 0.834453 -271.324 -161.544 10.992 # Removing break before 101 # jumping subtree containing (T0187)G125 jump= -0.826604 0.0615547 0.559395 0.00375963 -50.0474 -15.857 114.733 # Removing break before 101 # jumping subtree containing (T0187)L131 jump= 0.952905 0.181543 0.0920015 -0.224832 69.4478 -62.1205 7.35735 # jumping subtree containing (T0187)T160 jump= 0.349439 0.553344 -0.626132 0.423866 -273.475 -172.782 108.772 # jumping subtree containing (T0187)A180 jump= -0.344159 -0.220852 0.113804 0.905443 -135.762 -379.069 15.9161 # jumping subtree containing (T0187)E218 jump= 0.332072 -0.244131 -0.627691 0.660403 -204.543 -70.6915 -144.673 # generation 141: best score out of 40: T0187.try1-al4 69.5716 cost/residue, 281 clashes 0.069097 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 269 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 121 ## OptSubtree 3048 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= -0.971235 -0.0875618 0.00793568 0.221299 62.0802 -62.1008 35.599 # jumping subtree containing (T0187)T160 jump= -0.141705 -0.140974 -0.958168 -0.204841 -177.39 -5.15222 50.3685 # jumping subtree containing (T0187)G192 jump= -0.744374 -0.575188 0.304171 -0.150156 -124.26 -110.88 211.893 # jumping subtree containing (T0187)E226 jump= 0.802363 0.0640935 0.497182 -0.323908 -34.5587 -70.7024 -129.765 # jumping subtree containing (T0187)E157 jump= -0.38375 0.210129 0.8978 -0.0503593 -125.956 48.1727 54.3783 # jumping subtree containing (T0187)G171 jump= -0.765971 0.307547 -0.345371 -0.446567 -231.554 -16.4379 -120.255 # jumping subtree containing (T0187)E156 jump= -0.864318 -0.290032 0.311314 -0.268178 -123.549 -2.57513 131.849 # jumping subtree containing (T0187)T160 jump= -0.559515 0.13479 0.792923 0.200121 -73.1038 -30.8652 148.339 # jumping subtree containing (T0187)A180 jump= 0.999539 0.00728475 -0.0277085 0.0100776 -17.5412 18.805 -3.34667 # jumping subtree containing (T0187)E226 jump= 0.785221 0.540106 0.0803484 0.291988 -72.4779 -31.4837 179.937 # jumping subtree containing (T0187)E226 jump= -0.190512 0.912396 -0.0437686 -0.359616 -28.7255 -302.753 -98.0151 # generation 142: best score out of 40: T0187.try1-al4 69.5716 cost/residue, 281 clashes 0.069097 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 273 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 121 ## OptSubtree 3068 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E156 jump= 0.116675 0.709909 0.679307 -0.144769 18.6028 -11.5554 -55.2078 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G170 jump= -0.16935 0.536437 -0.454306 0.690769 -237.863 -306.798 -48.118 # jumping subtree containing (T0187)E157 jump= -0.255834 0.94054 -0.17863 0.134258 -76.7385 -350.928 -43.0853 # jumping subtree containing (T0187)H164 jump= 0.470471 -0.78387 -0.00576502 0.405181 -80.2278 -175.96 -167.823 # jumping subtree containing (T0187)E156 jump= -0.627293 -0.317477 -0.636042 -0.31806 -111.557 13.0949 52.5717 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E218 jump= -0.860921 0.0662442 0.303459 0.402913 51.6974 -130.684 68.0125 # jumping subtree containing (T0187)G125 jump= 0.0381366 0.722033 -0.487042 0.489902 -246.374 -308.926 54.5144 # jumping subtree containing (T0187)E226 jump= -0.826534 0.367392 0.22734 -0.360805 -121.973 3.99949 -122.771 # generation 143: best score out of 40: T0187.try1-al4 69.5716 cost/residue, 281 clashes 0.069097 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 276 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 121 ## OptSubtree 3089 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= 0.692561 -0.351487 -0.089902 0.623485 -236.551 -13.0202 -136.569 # jumping subtree containing (T0187)A180 jump= -0.926379 -0.37437 0.0408492 -0.000160486 4.5844 -23.3837 127.252 # jumping subtree containing (T0187)E218 jump= 0.912576 0.284295 0.215081 0.200305 -62.935 24.1708 53.6968 # jumping subtree containing (T0187)E226 jump= -0.182183 0.413334 0.851457 0.266431 -103.276 -11.5684 166.997 # jumping subtree containing (T0187)L131 jump= 0.659264 0.47046 -0.109273 -0.576279 4.91983 -279.015 51.4807 # jumping subtree containing (T0187)L131 jump= -0.899876 0.157954 -0.169625 0.369461 29.4342 -149.081 -88.798 # jumping subtree containing (T0187)E226 jump= -0.741277 0.193969 0.502855 -0.400026 -143.97 22.4152 -9.60196 # jumping subtree containing (T0187)N159 jump= -0.692115 0.428066 -0.405308 -0.416488 -199.99 -96.6508 -120.275 # jumping subtree containing (T0187)G171 jump= -0.277546 0.273921 -0.700962 0.597149 -224.351 -241.18 -150.749 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)H164 jump= -0.0994732 -0.473117 0.142805 -0.863639 -286.003 -273.468 94.7552 # jumping subtree containing (T0187)T160 jump= 0.208947 0.531401 0.522571 0.633146 -130.496 -126.646 217.127 # jumping subtree containing (T0187)A180 jump= 0.346916 0.415136 0.154037 -0.826792 -81.6278 -315.001 -111.401 # generation 144: best score out of 40: T0187.try1-al4 69.5713 cost/residue, 281 clashes 0.0690966 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 279 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 121 ## OptSubtree 3111 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L217 jump= -0.611414 -0.267673 0.28225 0.689101 -8.0219 -300.31 99.0308 # jumping subtree containing (T0187)A180 jump= -0.523434 -0.487282 0.641738 -0.277031 -273.464 -167.342 138.262 # jumping subtree containing (T0187)E226 jump= -0.747604 0.528569 0.15103 0.372683 77.5407 -196.163 -6.79659 # jumping subtree containing (T0187)E157 jump= -0.698365 -0.615265 0.264699 0.252329 -9.71163 -231.434 173.614 # jumping subtree containing (T0187)T116 jump= -0.836792 0.300462 0.163998 0.427325 60.5963 -173.013 40.1161 # jumping subtree containing (T0187)E226 jump= -0.454975 0.701501 -0.174812 0.519938 -61.6059 -307.001 -14.6721 # jumping subtree containing (T0187)G125 jump= -0.652295 -0.312935 0.402246 -0.561053 -242.773 -27.826 115.972 # jumping subtree containing (T0187)E226 jump= 0.734707 -0.4459 0.359192 0.363813 -196.538 -78.6964 -167.93 # jumping subtree containing (T0187)H164 jump= 0.912783 0.350033 0.0449002 -0.205643 29.9842 -74.7512 63.5362 # Removing break before 101 # jumping subtree containing (T0187)E226 jump= -0.750349 -0.225275 -0.363464 -0.504104 -214.605 34.5956 81.3284 # generation 145: best score out of 40: T0187.try1-al4 69.5623 cost/residue, 281 clashes 0.0690848 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 282 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 121 ## OptSubtree 3132 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S227 jump= 0.0645692 0.782647 0.531166 -0.318053 24.0546 -101.439 -76.3066 # jumping subtree containing (T0187)E226 jump= 0.801254 0.564154 0.157792 -0.121759 31.5944 -71.1767 104.723 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)A180 jump= 0.424922 0.808992 0.342857 0.217767 17.558 -139.391 148.154 # jumping subtree containing (T0187)H164 jump= -0.0690702 0.474017 0.876332 -0.0507867 -69.9343 20.5862 24.1387 # jumping subtree containing (T0187)E218 jump= 0.759838 0.571866 -0.309112 -0.00806889 -48.6446 -147.413 207.228 # jumping subtree containing (T0187)G125 jump= -0.093179 0.771752 0.119992 -0.61751 -79.136 -238.891 -164.066 # jumping subtree containing (T0187)K219 jump= -0.274394 -0.24697 -0.108078 0.923056 -129.909 -343.479 -63.2919 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E157 jump= 0.616657 0.143953 0.412529 -0.654852 -16.223 -221.323 -131.412 # jumping subtree containing (T0187)A180 jump= 0.25055 0.0372179 -0.698645 -0.66913 -217.443 -173.983 163.524 # generation 146: best score out of 40: T0187.try1-al4 69.5623 cost/residue, 281 clashes 0.0690848 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 284 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 121 ## OptSubtree 3162 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.540584 0.609925 0.579441 -0.00291674 22.5814 -18.6891 -18.9994 # Removing break before 40 # jumping subtree containing (T0187)T116 jump= 0.999416 -0.0282951 -0.0117416 -0.0151413 -5.10786 -29.4903 -14.5448 # jumping subtree containing (T0187)E218 jump= 0.750639 0.44152 -0.226166 -0.436406 6.68422 -204.066 119.806 # jumping subtree containing (T0187)E226 jump= 0.391222 -0.787788 -0.143297 0.453653 -81.7966 -170.572 -166.035 # jumping subtree containing (T0187)T160 jump= -0.999888 -0.0121511 0.00479598 0.00727657 0.34242 -23.6594 -14.3253 # jumping subtree containing (T0187)A180 jump= -0.636588 -0.00156382 -0.758326 0.140338 -102.292 -26.8965 -165.054 # jumping subtree containing (T0187)E226 jump= -0.871012 -0.230379 0.0343583 0.43253 114.902 -184.516 56.3892 # jumping subtree containing (T0187)A180 jump= -0.298988 -0.825151 0.434382 -0.202596 -180.728 -312.806 135.155 # jumping subtree containing (T0187)A180 jump= -0.916875 -0.182087 -0.334406 -0.119823 -40.1998 22.0265 -1.56838 # jumping subtree containing (T0187)T160 jump= 0.285547 0.443191 -0.0869581 0.845271 -262.839 -177.028 104.536 # jumping subtree containing (T0187)P91 jump= -0.999113 -0.00654532 -0.0267978 0.0318275 -10.5941 9.18337 6.59302 # Removing break before 101 # jumping subtree containing (T0187)I158 jump= 0.962027 0.126956 0.221797 -0.0958794 25.9436 -3.91323 -41.549 # jumping subtree containing (T0187)Q142 jump= 0.764763 0.155478 -0.22724 0.582517 -220.839 2.73322 52.5677 # jumping subtree containing (T0187)A180 jump= -0.983084 -0.179642 0.0355707 0.00314707 -15.261 -4.60023 55.7556 # jumping subtree containing (T0187)H164 jump= 0.299615 -0.812877 -0.0875473 -0.491729 3.79009 -265.842 70.8201 # jumping subtree containing (T0187)G171 jump= 0.0975202 -0.265103 0.438744 -0.853062 -253.258 -264.172 -57.216 # jumping subtree containing (T0187)A180 jump= -0.330213 0.636166 -0.506003 0.479805 -167.028 -333.364 -121.334 # generation 147: best score out of 40: T0187.try1-al4 69.5623 cost/residue, 281 clashes 0.0690848 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 284 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 122 ## OptSubtree 3195 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E218 jump= -0.177269 -0.842707 0.508056 -0.0173119 -201.515 -321.625 89.1977 # Removing break before 127 # jumping subtree containing (T0187)A180 jump= 0.518505 0.406958 0.555142 -0.507303 17.2819 -159.914 -157.55 # jumping subtree containing (T0187)H164 jump= -0.477842 -0.357527 -0.113397 -0.794344 -283.792 -110.111 133.608 # jumping subtree containing (T0187)P91 jump= -0.8355 -0.258657 0.458279 -0.158165 -147.012 -28.3074 159.95 # jumping subtree containing (T0187)K150 jump= 0.980896 -0.0173128 -0.193217 -0.0144873 19.2997 3.95026 62.1646 # jumping subtree containing (T0187)S227 jump= -0.993182 0.0548752 -0.0601852 0.0834022 27.2894 -26.5869 -50.4844 # jumping subtree containing (T0187)A180 jump= -0.43417 -0.775683 0.450136 0.0847862 -144.219 -261.685 209.647 # jumping subtree containing (T0187)T116 jump= 0.634606 -0.117734 -0.645813 -0.407848 -49.4024 -80.7937 137.909 # jumping subtree containing (T0187)A180 jump= 0.511529 -0.578616 0.57636 0.267115 -267.462 -200.302 -166.104 # jumping subtree containing (T0187)A180 jump= 0.827219 0.47429 -0.300634 0.0194013 -77.7267 -99.6007 159.232 # jumping subtree containing (T0187)T160 jump= -0.00328849 0.0873487 0.962734 -0.255936 -176.423 2.24279 -65.8381 # jumping subtree containing (T0187)E226 jump= -0.804709 0.468381 -0.171975 -0.321695 -147.963 -56.5361 -160.803 # jumping subtree containing (T0187)A180 jump= 0.540064 0.780202 0.279705 -0.14622 40.9987 -140.469 15.0877 # jumping subtree containing (T0187)A180 jump= -0.769126 0.442146 -0.326366 -0.326248 -179.478 -88.7101 -191.339 # generation 148: best score out of 40: T0187.try1-al4 69.5623 cost/residue, 281 clashes 0.0690848 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 286 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 122 ## OptSubtree 3217 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D206 jump= 0.938794 -0.298272 0.113515 -0.129666 11.2192 -79.0353 -115.004 # jumping subtree containing (T0187)A180 jump= 0.943613 0.0393622 0.0633796 0.322533 -110.181 64.4701 -10.4147 # jumping subtree containing (T0187)E226 jump= 0.995096 0.0929703 -0.0095078 -0.0324203 -6.68463 11.5966 30.9198 # jumping subtree containing (T0187)A203 jump= 0.608381 0.222259 -0.572546 0.502658 -280.948 -25.1855 63.247 # jumping subtree containing (T0187)E226 jump= 0.989779 -0.136595 -0.0298185 0.0281229 10.3553 7.60512 -50.1426 # jumping subtree containing (T0187)G125 jump= 0.672487 -0.323458 -0.151935 0.648114 -225.367 -25.9613 -125.971 # jumping subtree containing (T0187)A180 jump= 0.53023 0.35921 -0.766289 -0.0512402 -220.346 -117.497 152.498 # jumping subtree containing (T0187)G192 jump= 0.150035 -0.796861 -0.147283 0.566401 -45.7073 -225.369 -157.735 # jumping subtree containing (T0187)E157 jump= 0.972775 -0.189059 0.121265 -0.0571029 12.4147 -29.3842 -103.638 # jumping subtree containing (T0187)E130 jump= -0.124867 -0.932099 -0.331191 -0.0768882 49.8632 -166.602 60.2754 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= 0.836043 -0.354975 0.418094 0.0149201 -114.356 -85.2477 -152.983 # generation 149: best score out of 40: T0187.try1-al4 69.5623 cost/residue, 281 clashes 0.0690848 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 293 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 122 ## OptSubtree 3234 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= 0.966481 -0.156613 -0.0810925 0.186575 -72.0554 38.4766 -64.1461 # jumping subtree containing (T0187)H164 jump= 0.763368 -0.23457 0.0278528 0.601225 -216.586 -38.5016 -105.947 # jumping subtree containing (T0187)E156 jump= 0.894842 0.237865 -0.302842 0.225755 -101.326 -10.649 137.099 # jumping subtree containing (T0187)T160 jump= 0.610713 -0.433625 0.0329718 0.661749 -218.596 -91.803 -163.795 # jumping subtree containing (T0187)A180 jump= 0.0214871 -0.214981 -0.0916219 0.972074 -236.366 -269.352 -87.3978 # jumping subtree containing (T0187)P91 jump= 0.999262 0.0234639 0.030252 -0.00322297 14.6448 -15.3371 9.07745 # jumping subtree containing (T0187)A180 jump= -0.826676 0.234525 -0.0596663 0.50798 81.1245 -222.24 -52.8389 # Removing break before 127 # jumping subtree containing (T0187)A180 jump= 0.542429 -0.836782 0.000499485 -0.0746049 23.7963 -235.174 -146.239 # jumping subtree containing (T0187)E226 jump= -0.191997 -0.0898149 -0.635889 0.742102 -186.705 -147.745 -153.942 # jumping subtree containing (T0187)E156 jump= -0.888599 -0.0429387 0.118414 -0.441052 -153.307 42.9881 4.90868 # generation 150: best score out of 40: T0187.try1-al4 69.5623 cost/residue, 281 clashes 0.0690848 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 295 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 122 ## OptSubtree 3257 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= 0.603084 0.244302 0.463555 0.601435 -218.863 -17.7662 84.3772 # jumping subtree containing (T0187)E226 jump= -0.433378 -0.599001 -0.500627 0.450281 56.611 -110.264 -82.423 # jumping subtree containing (T0187)G192 jump= -0.637012 -0.515692 -0.384592 0.424696 52.2469 -138.351 -48.0342 # jumping subtree containing (T0187)H164 jump= -0.726907 -0.0421806 -0.0264823 -0.684927 -236.762 -31.4346 19.8787 # jumping subtree containing (T0187)G171 jump= -0.943243 -0.0326252 0.314304 -0.102182 -66.9264 41.2178 80.1004 # jumping subtree containing (T0187)G171 jump= 0.579997 -0.0490574 -0.81064 0.0637174 -170.025 44.5552 108.673 # jumping subtree containing (T0187)A180 jump= 0.158297 -0.257424 0.0238725 0.952945 -306.814 -277.878 -77.7674 # jumping subtree containing (T0187)A180 jump= 0.980588 0.0205233 0.194801 0.0088615 -37.0706 17.28 -47.0752 # Removing break before 40 # jumping subtree containing (T0187)A180 jump= 0.94597 0.0277537 0.231764 -0.225067 17.4255 -80.7021 -83.0384 # jumping subtree containing (T0187)G192 jump= -0.321342 -0.622954 0.433883 0.56605 -125.15 -333.417 89.3372 # jumping subtree containing (T0187)P91 jump= 0.997332 -0.0337452 0.0354717 -0.054138 38.9995 -29.6108 -15.4624 # jumping subtree containing (T0187)E218 jump= 0.716391 -0.370352 0.429398 -0.406498 -65.122 -227.414 -169.866 # jumping subtree containing (T0187)A180 jump= -0.286996 -0.17727 -0.92533 -0.173126 -221.144 56.3866 9.56334 # jumping subtree containing (T0187)I232 jump= 0.840357 -0.135293 0.46343 0.246431 -182.802 12.8862 -117.081 # jumping subtree containing (T0187)A180 jump= 0.994172 0.0281122 -0.0373326 0.0971502 -45.4723 1.26018 23.7031 # jumping subtree containing (T0187)G192 jump= 0.398775 -0.512682 0.259164 0.714821 -276.08 -193.476 -117.443 # jumping subtree containing (T0187)A180 jump= 0.54029 -0.461002 0.46253 -0.530688 -112.697 -276.691 -125.257 # jumping subtree containing (T0187)E226 jump= -0.949452 -0.201599 0.12825 0.203592 51.649 -64.6439 104.949 # generation 151: best score out of 40: T0187.try1-al4 69.5623 cost/residue, 281 clashes 0.0690848 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 304 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 122 ## OptSubtree 3272 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= 0.214239 0.500497 0.809103 -0.221264 -56.6959 -19.53 -89.7356 # jumping subtree containing (T0187)T116 jump= 0.163104 0.533154 0.828586 0.0508746 -45.6445 43.4896 14.9899 # jumping subtree containing (T0187)A180 jump= -0.624477 0.737242 -0.209201 -0.150792 -79.9594 -191.539 -186.618 # jumping subtree containing (T0187)T160 jump= -0.640309 -0.564729 0.462462 0.239196 -100.861 -196.632 187.809 # jumping subtree containing (T0187)Q142 jump= 0.142821 0.470434 0.0931789 0.865801 -187.7 -275.547 129.285 # jumping subtree containing (T0187)T160 jump= 0.890427 0.316618 -0.28925 0.152403 -91.5512 -36.8234 161.182 # jumping subtree containing (T0187)A180 jump= -0.751255 0.163657 -0.59922 0.223086 -84.4293 -98.0863 -186.871 # jumping subtree containing (T0187)R230 jump= 0.576302 -0.808612 0.0267743 0.115354 -38.6578 -209.624 -126.393 # jumping subtree containing (T0187)E226 jump= -0.931237 0.266411 -0.130585 0.211592 22.1734 -132.37 -93.0996 # jumping subtree containing (T0187)Q142 jump= -0.565493 -0.412202 -0.642 -0.313277 -79.9034 -6.79558 77.7804 # jumping subtree containing (T0187)G125 jump= -0.918753 0.331357 0.209397 0.0474129 26.1158 -43.8631 -10.281 # jumping subtree containing (T0187)E226 jump= -0.621725 0.189789 0.272302 -0.70943 -264.576 -28.153 -57.7742 # jumping subtree containing (T0187)F119 jump= 0.870328 -0.0246362 0.0357049 -0.490558 59.5509 -171.018 10.2659 # jumping subtree containing (T0187)E226 jump= -0.646568 -0.0297877 0.578179 0.49676 -28.2154 -182.704 185.67 # Removing break before 101 # generation 152: best score out of 40: T0187.try1-al4 69.5623 cost/residue, 281 clashes 0.0690848 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 309 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 122 ## OptSubtree 3291 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R176 jump= 0.94194 -0.244074 -0.0228253 -0.229467 60.2708 -113.928 -55.1131 # jumping subtree containing (T0187)D115 jump= -0.150812 0.700938 -0.441193 0.539713 -171.735 -305.474 -31.2551 # jumping subtree containing (T0187)R176 jump= 0.315112 0.52674 0.776452 0.142727 -49.8936 46.5572 31.8707 # jumping subtree containing (T0187)A180 jump= -0.960468 -0.107378 0.241921 0.0862804 -2.87816 -37.0117 119.278 # jumping subtree containing (T0187)H164 jump= -0.989354 -0.114473 0.0586319 0.0681013 25.1401 -29.7888 62.686 # jumping subtree containing (T0187)P91 jump= 0.794802 0.0237176 -0.605356 -0.0356476 -78.427 10.2266 139.531 # jumping subtree containing (T0187)R176 jump= -0.58488 0.262235 0.652596 -0.404063 -176.878 56.7391 -48.1819 # jumping subtree containing (T0187)G125 jump= 0.666053 0.24457 0.661737 -0.242203 -58.4573 -11.8421 -139.428 # jumping subtree containing (T0187)L131 jump= 0.895223 0.336036 0.279225 -0.0876857 33.5207 -49.3852 23.37 # Removing break before 80 # jumping subtree containing (T0187)E226 jump= -0.882663 -0.355096 -0.307239 0.0204071 2.88342 16.3544 45.162 # generation 153: best score out of 40: T0187.try1-al4 69.5615 cost/residue, 281 clashes 0.0690847 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 315 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 122 ## OptSubtree 3309 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.915774 -0.0222296 -0.016887 0.400722 -153.888 24.4169 -1.70983 # jumping subtree containing (T0187)L131 jump= -0.27751 0.628443 0.601272 0.408068 7.5324 -75.7766 138.725 # jumping subtree containing (T0187)G192 jump= 0.0628601 0.280475 0.114584 0.950922 -237.255 -265.879 117.895 # jumping subtree containing (T0187)G152 jump= -0.298107 -0.516686 0.419737 -0.684097 -296.608 -243.656 95.3641 # jumping subtree containing (T0187)E226 jump= 0.980933 0.0964262 0.00919489 0.168485 -68.0054 21.7689 45.4746 # jumping subtree containing (T0187)G171 jump= -0.467461 0.65219 -0.54635 0.240063 -149.529 -279.162 -148.211 # jumping subtree containing (T0187)E226 jump= 0.356165 -0.767573 -0.175078 -0.503314 -3.19694 -290.938 105.221 # jumping subtree containing (T0187)G125 jump= -0.956722 0.164854 0.225174 0.0824825 24.3083 -7.77462 30.8144 # jumping subtree containing (T0187)G125 jump= 0.804089 0.101913 -0.0498419 -0.583584 9.25456 -221.066 15.9011 # jumping subtree containing (T0187)L131 jump= 0.817525 0.346681 -0.273045 0.370015 -148.506 -21.4419 112.826 # jumping subtree containing (T0187)T116 jump= -0.832763 -0.458699 -0.175364 0.255634 78.815 -106.932 20.5545 # jumping subtree containing (T0187)G125 jump= 0.874965 -0.461294 0.133269 -0.0623168 -10.3238 -89.6274 -127.461 # jumping subtree containing (T0187)A180 jump= 0.929409 0.261126 0.150527 -0.212966 70.0263 -52.9986 7.09192 # Removing break before 101 # jumping subtree containing (T0187)I232 jump= 0.0686777 -0.00426375 0.219441 0.973196 -289.044 -290.713 51.3387 # jumping subtree containing (T0187)P91 jump= -0.592422 -0.458178 0.657657 0.0812157 -187.224 -154.246 191.967 # jumping subtree containing (T0187)H164 jump= -0.999218 0.0389954 -0.00457111 -0.00465777 3.55893 -23.8251 -0.473866 # jumping subtree containing (T0187)E226 jump= 0.99256 0.0181218 0.0346384 0.115313 -57.0405 23.9923 -19.8805 # generation 154: best score out of 40: T0187.try1-al4 69.5615 cost/residue, 281 clashes 0.0690847 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 321 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 122 ## OptSubtree 3327 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G125 jump= 0.155874 0.462945 0.684456 0.541207 -152.913 -21.6212 195.619 # jumping subtree containing (T0187)E226 jump= -0.923759 0.179914 -0.277127 -0.19365 -125.306 -17.2013 -112.01 # jumping subtree containing (T0187)T160 jump= -0.367258 -0.123794 -0.737303 0.553336 -115.391 -130.25 -160.356 # jumping subtree containing (T0187)E226 jump= 0.973808 0.219585 -0.0534057 -0.0250767 23.3407 -22.6017 69.987 # jumping subtree containing (T0187)G125 jump= 0.350646 0.26331 0.0631375 0.896509 -327.58 -140.404 118.492 # jumping subtree containing (T0187)E157 jump= -0.84667 -0.0918236 0.344476 0.395037 48.2959 -115.575 122.875 # jumping subtree containing (T0187)Q142 jump= -0.936375 -0.0514198 -0.317888 -0.13966 -74.1808 13.7368 -46.633 # generation 155: best score out of 40: T0187.try1-al4 69.5615 cost/residue, 281 clashes 0.0690847 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 324 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 122 ## OptSubtree 3348 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V190 jump= 0.977223 -0.127053 -0.020125 0.168784 -56.7788 33.1927 -25.387 # jumping subtree containing (T0187)L131 jump= -0.97804 -0.0832424 0.157674 -0.107922 -56.0076 -1.33333 39.2685 # jumping subtree containing (T0187)P91 jump= 0.998914 0.0224849 0.0345784 -0.0216619 6.55879 -25.6552 15.4635 # jumping subtree containing (T0187)G192 jump= 0.112482 -0.284141 0.533615 0.788585 -274.26 -242.025 45.9603 # jumping subtree containing (T0187)E226 jump= 0.673766 0.707082 0.12332 -0.175689 57.3762 -153.507 106.182 # jumping subtree containing (T0187)P91 jump= -0.401891 -0.850494 -0.143705 -0.307396 -15.9899 -161.496 161.849 # jumping subtree containing (T0187)R176 jump= -0.445966 -0.479698 0.752933 0.0639988 -230.009 -171.572 170.327 # jumping subtree containing (T0187)A180 jump= -0.0083048 0.145863 -0.92924 0.339365 -300.795 -71.3814 -114.502 # jumping subtree containing (T0187)E218 jump= 0.190594 0.3117 -0.917659 -0.156267 -304.248 -97.9645 112.311 # jumping subtree containing (T0187)E226 jump= 0.853519 -0.431339 -0.101692 0.274064 -45.8683 -26.9253 -106.824 # jumping subtree containing (T0187)E226 jump= 0.73007 -0.313589 0.547669 -0.262142 -95.7898 -132.149 -156.35 # jumping subtree containing (T0187)E226 jump= 0.95932 0.148471 0.0117642 0.23984 -93.3739 24.3964 45.6397 # generation 156: best score out of 40: T0187.try1-al4 69.5615 cost/residue, 281 clashes 0.0690847 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 330 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 122 ## OptSubtree 3366 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= -0.0650347 0.791344 0.603219 -0.0753163 76.7584 -63.9541 -39.2479 # jumping subtree containing (T0187)E226 jump= 0.785651 -0.381251 0.00912662 -0.487152 22.3103 -221.394 -14.2653 # jumping subtree containing (T0187)T160 jump= 0.679186 0.731959 0.0165486 0.0516546 -22.0558 -122.086 161.276 # jumping subtree containing (T0187)T116 jump= -0.20465 -0.280219 0.776764 0.525579 -260.198 -173.445 138.463 # jumping subtree containing (T0187)P91 jump= -0.725873 0.500444 -0.250677 0.399782 -20.1796 -242.553 -121.894 # jumping subtree containing (T0187)Q142 jump= 0.859064 -0.441905 0.0109576 0.258088 -86.4279 -30.6865 -168.825 # jumping subtree containing (T0187)G125 jump= -0.986501 0.150519 -0.0377017 -0.0523306 -3.69081 -5.31691 -35.0454 # jumping subtree containing (T0187)T116 jump= 0.578116 -0.592579 0.365095 -0.425838 -50.5367 -241.942 -126.461 # jumping subtree containing (T0187)Q142 jump= 0.310392 -0.540201 -0.549003 0.557167 -120.949 -76.352 -160.702 # jumping subtree containing (T0187)T160 jump= -0.919039 0.22664 -0.220547 0.23529 38.3746 -89.1029 -97.6154 # jumping subtree containing (T0187)Q142 jump= 0.590704 -0.082334 0.800477 -0.0593849 -145.256 -40.1683 -134.07 # jumping subtree containing (T0187)G192 jump= -0.612413 0.535497 -0.396056 0.425833 -88.815 -253.794 -134.74 # jumping subtree containing (T0187)G192 jump= -0.166075 -0.521944 -0.0162353 0.836499 -106.303 -349.802 -87.5991 # jumping subtree containing (T0187)T160 jump= -0.991309 0.0414887 -0.0833412 0.0929465 29.4667 -23.626 -5.85999 # jumping subtree containing (T0187)A180 jump= -0.836649 0.119944 0.462993 -0.266963 -130.828 40.4165 9.92887 # jumping subtree containing (T0187)L131 jump= -0.835637 0.506733 0.155908 0.143614 55.2661 -82.7476 -44.4668 # jumping subtree containing (T0187)G125 jump= 0.920843 -0.247992 0.0682009 -0.293081 19.4664 -121.829 -62.4361 # jumping subtree containing (T0187)G171 jump= -0.716716 -0.492498 0.491586 0.0459027 -135.53 -152.48 204.818 # jumping subtree containing (T0187)E226 jump= 0.887363 0.0974048 -0.263273 0.365769 -131.775 46.8697 45.9839 # generation 157: best score out of 40: T0187.try1-al4 69.5615 cost/residue, 281 clashes 0.0690847 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 334 ## CrossAndInsert 107 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 122 ## OptSubtree 3386 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G192 jump= 0.743599 0.511225 -0.311644 0.297635 -175.537 -72.7183 198.766 # jumping subtree containing (T0187)G125 jump= 0.517195 0.678254 -0.0232743 -0.521478 -11.4145 -282.31 -10.5161 # jumping subtree containing (T0187)E218 jump= 0.046668 -0.621409 -0.70321 0.342298 -38.423 -19.7747 -104.445 # jumping subtree containing (T0187)E226 jump= -0.932753 -0.19293 -0.119484 -0.280132 -123.943 39.4611 61.9902 # jumping subtree containing (T0187)E156 jump= 0.743307 -0.299771 -0.597636 -0.0215531 2.54617 15.2 35.4035 # jumping subtree containing (T0187)E226 jump= 0.860208 0.284716 0.00977257 -0.422945 56.4289 -148.154 21.1534 # jumping subtree containing (T0187)G192 jump= -0.328 0.931097 -0.0302141 -0.156722 -5.39022 -267.094 -99.1459 # jumping subtree containing (T0187)G192 jump= 0.791204 0.0164527 0.442053 0.422273 -228.989 32.079 -9.89136 # jumping subtree containing (T0187)A180 jump= -0.844568 -0.243374 0.424274 -0.217868 -150.577 -7.43941 131.562 # jumping subtree containing (T0187)L131 jump= -0.88734 -0.433264 0.0638747 0.144323 12.4662 -85.0146 107.744 # jumping subtree containing (T0187)T160 jump= -0.70903 0.0324692 -0.563342 0.422929 -26.8231 -111.921 -179.961 # generation 158: best score out of 40: T0187.try1-al4 69.5561 cost/residue, 340 clashes 0.069085 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 176 ## TwoFragment 24 ## CrossOver 339 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 122 ## OptSubtree 3404 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I232 jump= -0.962902 -0.189927 -0.187238 -0.0410933 -8.50989 12.7072 -4.06828 # jumping subtree containing (T0187)S225 jump= 0.833677 0.235275 -0.467955 0.17506 -112.874 -1.39848 147.965 # jumping subtree containing (T0187)T160 jump= 0.914954 0.154428 0.223286 0.298589 -103.453 50.9845 30.9119 # jumping subtree containing (T0187)G192 jump= 0.688787 0.00717218 0.487874 0.53619 -250.471 3.22027 13.1465 # jumping subtree containing (T0187)G125 jump= 0.975829 -0.187952 -0.100208 0.0488856 -35.2922 17.6399 -19.0632 # jumping subtree containing (T0187)H164 jump= -0.758553 -0.286562 -0.170503 -0.559828 -202.257 -17.6357 100.13 # jumping subtree containing (T0187)E226 jump= 0.994204 0.0815836 -0.0698155 -0.00524191 -13.7228 -1.15982 61.5148 # jumping subtree containing (T0187)G192 jump= -0.579827 -0.576554 -0.567641 -0.0957575 7.91519 5.33137 58.5185 # jumping subtree containing (T0187)T160 jump= -0.767668 0.403724 -0.279767 -0.411612 -196.612 -53.5225 -134.445 # jumping subtree containing (T0187)G192 jump= -0.302552 0.3407 0.604579 0.653353 -72.8217 -184.346 212.838 # jumping subtree containing (T0187)Q142 jump= -0.97965 -0.0590549 -0.0632853 0.181092 68.5254 -35.763 -6.68542 # jumping subtree containing (T0187)H164 jump= 0.0512997 -0.0736365 0.947082 -0.30819 -254.617 -30.1308 -70.235 # jumping subtree containing (T0187)H164 jump= -0.997986 0.0236888 0.00838506 0.0582516 15.0935 -5.23272 1.7371 # generation 159: best score out of 40: T0187.try1-al4 69.4904 cost/residue, 278 clashes 0.0690847 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 177 ## TwoFragment 24 ## CrossOver 342 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 122 ## OptSubtree 3424 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.520203 -0.0655349 -0.845693 -0.0994894 -149.953 -5.06188 190.411 # jumping subtree containing (T0187)G192 jump= -0.70702 0.524763 -0.444149 -0.165768 -187.306 -115.193 -190.35 # jumping subtree containing (T0187)H164 jump= 0.701042 0.085578 -0.501093 -0.500123 -42.2437 -190.782 167.558 # jumping subtree containing (T0187)E226 jump= -0.887072 -0.243624 -0.168669 -0.353978 -103.734 39.7362 71.8826 # jumping subtree containing (T0187)T116 jump= -0.209719 -0.589738 0.568196 0.53421 -189.037 -265.028 76.6687 # jumping subtree containing (T0187)P91 jump= -0.356251 -0.15518 -0.398953 0.830567 -147.28 -265.383 -142.837 # jumping subtree containing (T0187)E226 jump= 0.0231305 0.0330514 -0.338202 0.940209 -265.167 -235.954 -97.8217 # jumping subtree containing (T0187)G171 jump= 0.964986 0.216806 0.0288868 0.144782 -73.7649 17.189 66.7741 # jumping subtree containing (T0187)E156 jump= -0.285766 0.427233 0.835522 -0.194199 -45.65 38.1915 -21.5182 # jumping subtree containing (T0187)G171 jump= 0.765064 0.301666 -0.243907 0.513988 -237.146 -2.4789 122.493 # jumping subtree containing (T0187)G192 jump= 0.680335 -0.32696 -0.458826 -0.468742 69.8398 -162.412 107.919 # jumping subtree containing (T0187)E226 jump= -0.624655 0.0270043 -0.140359 0.767708 -30.0533 -264.965 -55.6454 # jumping subtree containing (T0187)G171 jump= 0.864985 0.456547 -0.104642 0.180043 -69.7836 -64.6151 167.248 # Removing break before 127 # jumping subtree containing (T0187)P91 jump= -0.0264019 0.366785 -0.874176 -0.317157 -336.723 -171.335 48.6224 # jumping subtree containing (T0187)G125 jump= -0.605205 -0.383664 -0.373688 0.588971 9.60088 -212.54 -118.191 # generation 160: best score out of 40: T0187.try1-al4 69.4904 cost/residue, 278 clashes 0.0690847 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 177 ## TwoFragment 24 ## CrossOver 344 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 122 ## OptSubtree 3458 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G192 jump= 0.999898 -0.00585062 0.0116643 -0.00583556 5.12673 7.17627 -7.78701 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= 0.0694131 -0.901948 0.415477 0.0951329 -138.505 -330.104 28.667 # jumping subtree containing (T0187)G192 jump= -0.97766 0.00379684 0.166128 -0.128717 -59.0716 26.1709 20.9075 # jumping subtree containing (T0187)G192 jump= -0.306353 -0.0436839 -0.5899 -0.745827 -277.842 -113.304 101.153 # jumping subtree containing (T0187)E218 jump= 0.999806 0.00983325 -0.0149734 0.00824078 -0.15589 17.2357 18.0939 # jumping subtree containing (T0187)G125 jump= -0.948538 -0.0417193 0.0832186 0.302671 26.7485 -101.357 41.6242 # jumping subtree containing (T0187)E226 jump= 0.294068 0.35062 -0.554785 -0.69484 -197.579 -288.212 160.125 # jumping subtree containing (T0187)A180 jump= -0.952691 -0.0698448 -0.285636 -0.0768952 -40.224 18.666 -48.6251 # jumping subtree containing (T0187)T97 jump= 0.63692 -0.423509 -0.00688731 -0.644147 0.344398 -305.486 -12.3606 # jumping subtree containing (T0187)G171 jump= -0.922801 -0.288692 -0.228602 -0.113299 -36.2138 -4.1117 89.0407 # generation 161: best score out of 40: T0187.try1-al4 69.4899 cost/residue, 278 clashes 0.0690853 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 177 ## TwoFragment 24 ## CrossOver 348 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 122 ## OptSubtree 3489 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.47712 0.848764 0.138921 0.180712 54.5843 -250.943 -29.9221 # jumping subtree containing (T0187)A180 jump= 0.957192 0.0103363 -0.108032 0.26834 -109.8 67.9964 40.3192 # jumping subtree containing (T0187)G171 jump= 0.987812 -0.0506286 -0.044401 0.140328 -39.8747 45.4827 -18.8739 # jumping subtree containing (T0187)P91 jump= -0.992166 0.0669758 0.102783 -0.0235931 -15.051 1.8485 -17.1718 # jumping subtree containing (T0187)E226 jump= 0.756521 -0.0772286 0.17348 -0.625793 0.055872 -230.004 -55.129 # jumping subtree containing (T0187)P91 jump= -0.291904 0.517923 0.285498 -0.751691 -179.875 -133.993 -194.093 # jumping subtree containing (T0187)G171 jump= -0.995684 -0.0199347 0.0852544 -0.0307953 2.40163 29.2415 18.0942 # jumping subtree containing (T0187)Q142 jump= 0.999132 -0.000268311 -0.0346079 -0.0231665 13.1092 -20.5724 -10.314 # jumping subtree containing (T0187)P91 jump= 0.938232 0.249967 0.236101 0.038657 -14.6022 -10.4388 13.5658 # jumping subtree containing (T0187)E226 jump= -0.992253 0.00262544 0.0168636 0.123057 22.7856 -22.4637 -18.8837 # jumping subtree containing (T0187)E218 jump= 0.944435 -0.245138 -0.163568 -0.145589 62.2695 -50.4968 -25.6775 # Removing break before 127 # jumping subtree containing (T0187)T160 jump= 0.121067 -0.511493 0.0927759 0.845642 -228.449 -278.34 -94.9734 # jumping subtree containing (T0187)G192 jump= 0.654186 -0.738279 0.00754948 -0.164094 17.3371 -205.394 -93.5768 # jumping subtree containing (T0187)G192 jump= 0.750642 0.344528 0.306629 0.473092 -164.535 11.6697 135.183 # jumping subtree containing (T0187)T160 jump= 0.361126 0.924239 0.113726 0.0493707 44.3981 -236.853 123.962 # jumping subtree containing (T0187)E226 jump= 0.943137 0.151184 0.232088 -0.183768 28.5446 -42.3616 -42.9964 # Removing break before 89 # generation 162: best score out of 40: T0187.try1-al4 69.4897 cost/residue, 278 clashes 0.0690852 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 177 ## TwoFragment 24 ## CrossOver 352 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 123 ## OptSubtree 3512 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G125 jump= -0.11312 -0.289512 0.948004 0.0683688 -317.92 -115.163 105.076 # jumping subtree containing (T0187)G125 jump= 0.649615 -0.694757 -0.256543 0.171752 -24.5295 -75.6623 -116.224 # jumping subtree containing (T0187)E156 jump= 0.994783 0.0844881 0.00355182 0.0570529 -2.40233 17.9157 21.2172 # jumping subtree containing (T0187)E226 jump= -0.943768 -0.01726 0.116259 0.30901 83.1991 -74.2676 28.0455 # jumping subtree containing (T0187)E156 jump= 0.839155 -0.00350246 0.164839 -0.518301 72.3753 -157.821 -68.2044 # Removing break before 40 # jumping subtree containing (T0187)E218 jump= -0.993147 -0.0611957 0.0948437 -0.0303049 7.31043 2.10116 65.8721 # jumping subtree containing (T0187)A180 jump= 0.230651 -0.0575946 0.478502 0.845292 -297.025 -180.612 73.4091 # jumping subtree containing (T0187)T116 jump= -0.951981 -0.0688853 0.170883 0.244513 3.72349 -81.3771 65.4369 # jumping subtree containing (T0187)G192 jump= 0.566319 -0.00505152 -0.360276 0.741255 -252.698 -11.6026 -26.5531 # jumping subtree containing (T0187)E226 jump= -0.951644 -0.0363791 -0.244201 -0.182799 -78.587 59.3236 -46.9819 # jumping subtree containing (T0187)E156 jump= -0.0312703 0.415588 0.86329 0.284673 -122.775 20.1794 168.885 # jumping subtree containing (T0187)E156 jump= -0.237158 0.0269414 0.961286 -0.137694 -185.133 8.70386 10.9489 # jumping subtree containing (T0187)G192 jump= -0.0690251 -0.745897 -0.632421 0.197275 28.7837 -73.4547 -21.2325 # generation 163: best score out of 40: T0187.try1-al4 69.4897 cost/residue, 278 clashes 0.0690852 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 177 ## TwoFragment 24 ## CrossOver 355 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 123 ## OptSubtree 3533 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G192 jump= -0.889851 -0.292672 -0.241909 0.252958 56.4049 -74.0964 -15.6031 # jumping subtree containing (T0187)Q142 jump= -0.503666 0.0110696 -0.834762 -0.222196 -215.308 -4.94809 22.3871 # jumping subtree containing (T0187)L131 jump= -0.739923 0.320958 0.565198 -0.173352 -71.8875 21.5992 -15.6027 # jumping subtree containing (T0187)Q142 jump= -0.288099 -0.819199 -0.494886 -0.0316152 61.4917 -96.2131 129.182 # jumping subtree containing (T0187)G192 jump= 0.248475 0.84857 -0.263009 -0.386025 -89.1354 -351.281 38.9568 # jumping subtree containing (T0187)G192 jump= -0.564921 0.157128 0.809957 -0.0120455 -68.8385 15.9827 89.3864 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)G192 jump= -0.037039 -0.454123 -0.738953 -0.496335 -111.321 -83.6697 204.725 # jumping subtree containing (T0187)A180 jump= 0.968991 -0.0683601 0.0278541 -0.235811 54.2019 -77.1434 -33.3533 # jumping subtree containing (T0187)E218 jump= 0.99523 0.0829022 0.00538168 0.0511477 -13.483 29.2294 40.9848 # jumping subtree containing (T0187)K181 jump= -0.738666 0.372091 -0.532296 0.180503 -97.1253 -153.974 -190.408 # jumping subtree containing (T0187)G125 jump= 0.96646 0.129248 0.12704 0.181966 -67.0351 28.0576 58.221 # jumping subtree containing (T0187)G192 jump= -0.793275 -0.103984 0.487999 -0.348941 -186.261 39.7317 78.3041 # Removing break before 40 # jumping subtree containing (T0187)G192 jump= -0.0596454 0.368281 -0.263693 0.889538 -226.421 -292.265 8.73664 # jumping subtree containing (T0187)E156 jump= -0.846158 0.0542336 0.182559 -0.497742 -176.838 34.2655 -34.5538 # jumping subtree containing (T0187)L131 jump= -0.57959 0.197112 -0.570678 -0.547311 -262.225 -29.3686 -49.6379 # jumping subtree containing (T0187)G192 jump= -0.446744 -0.487968 0.258479 -0.703914 -260.993 -148.232 136.697 # jumping subtree containing (T0187)E226 jump= 0.773618 0.233294 -0.430437 0.40226 -203.117 11.9473 106.414 # generation 164: best score out of 40: T0187.try1-al4 69.4897 cost/residue, 278 clashes 0.0690852 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 177 ## TwoFragment 24 ## CrossOver 356 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 123 ## OptSubtree 3556 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)W204 jump= -0.335158 -0.162825 -0.925084 0.0733209 -172.567 35.6949 -25.4138 # jumping subtree containing (T0187)Q142 jump= 0.887494 0.228767 0.259255 0.304643 -101.569 56.1943 52.653 # jumping subtree containing (T0187)G192 jump= -0.926127 -0.308857 0.13784 -0.167019 -63.2273 13.3782 112.701 # jumping subtree containing (T0187)P91 jump= 0.0690673 -0.974567 -0.00480088 -0.213132 -23.1685 -294.708 70.8409 # Removing break moved up 3 to before 54 # Removing break before 89 # jumping subtree containing (T0187)W204 jump= -0.999633 0.0251677 0.00550128 -0.00837555 2.05106 -11.6962 8.47256 # jumping subtree containing (T0187)E226 jump= -0.998456 0.033571 0.00252223 -0.0441735 -31.0502 -0.466732 -5.25877 # jumping subtree containing (T0187)T116 jump= 0.651062 0.747287 0.0923594 0.0956556 14.6293 -130.534 146.64 # jumping subtree containing (T0187)G171 jump= 0.670744 0.348546 -0.635109 0.158918 -225.209 -59.1685 179.363 # jumping subtree containing (T0187)Q142 jump= -0.110733 -0.950607 0.289854 -0.0083344 -99.5218 -343.607 59.9941 # jumping subtree containing (T0187)Q142 jump= 0.33738 -0.250694 0.202472 -0.884495 -86.2976 -338.425 -38.485 # generation 165: best score out of 40: T0187.try1-al4 69.4896 cost/residue, 278 clashes 0.0690853 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 177 ## TwoFragment 24 ## CrossOver 358 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 123 ## OptSubtree 3581 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G192 jump= -0.351836 0.927943 -0.00284067 0.122986 -9.42659 -294.922 -57.297 # jumping subtree containing (T0187)A180 jump= 0.922104 -0.350243 0.163613 0.0168759 -58.8437 -50.7242 -148.603 # jumping subtree containing (T0187)G192 jump= -0.350393 -0.305031 0.132115 -0.875629 -308.211 -216.204 57.4093 # jumping subtree containing (T0187)A180 jump= 0.975191 0.214323 0.0276346 0.0480162 -20.6463 16.5739 44.0134 # jumping subtree containing (T0187)G192 jump= 0.996921 -0.0228213 0.0615563 -0.0428692 31.9306 -30.7803 -28.0976 # jumping subtree containing (T0187)N159 jump= -0.76577 -0.118688 -0.627072 0.0793118 -67.3452 -19.6491 -86.65 # jumping subtree containing (T0187)E226 jump= -0.430891 0.815316 -0.11194 0.37022 -43.8827 -311.694 -40.0632 # jumping subtree containing (T0187)W204 jump= 0.446416 0.430411 0.736096 0.271332 -89.2782 19.6433 95.5009 # jumping subtree containing (T0187)G192 jump= -0.976967 -0.187635 0.0935632 0.03968 27.8651 0.4911 82.8758 # jumping subtree containing (T0187)E226 jump= 0.495631 -0.141106 0.0661883 0.854434 -330.165 -121.856 -60.728 # jumping subtree containing (T0187)G192 jump= 0.599373 0.275076 0.599407 0.453648 -194.252 19.3167 104.44 # generation 166: best score out of 40: T0187.try1-al4 69.4896 cost/residue, 278 clashes 0.0690853 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 177 ## TwoFragment 24 ## CrossOver 366 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 123 ## OptSubtree 3597 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G192 jump= -0.706198 -0.684462 -0.180863 -0.0091651 46.6533 -89.4072 144.986 # jumping subtree containing (T0187)W204 jump= -0.967098 0.184071 -0.171831 -0.036234 -43.3235 -0.129242 -113.869 # jumping subtree containing (T0187)T116 jump= 0.932394 0.162124 0.322554 0.0177794 -20.7975 -10.3263 -47.5238 # jumping subtree containing (T0187)A180 jump= -0.516266 0.627059 0.259427 0.52246 37.9603 -236.939 82.8347 # jumping subtree containing (T0187)W204 jump= -0.0975079 -0.835444 0.241134 -0.484129 -152.678 -354.284 121.135 # jumping subtree containing (T0187)A180 jump= -0.820844 -0.00470354 0.527396 0.219195 -15.3576 -58.0209 162.062 # jumping subtree containing (T0187)W204 jump= -0.785239 0.0796319 0.391367 0.473171 65.9373 -177.705 148.165 # jumping subtree containing (T0187)A180 jump= -0.999102 -0.00868056 -0.0410516 -0.00586079 15.325 -12.8577 -17.9962 # jumping subtree containing (T0187)A180 jump= -0.846537 -0.389369 -0.251984 -0.261285 -66.7442 16.4862 101.861 # jumping subtree containing (T0187)G192 jump= -0.0307159 0.700851 0.286294 0.65261 -77.5941 -224.811 163.869 # Removing break before 101 # jumping subtree containing (T0187)F119 jump= 0.252777 -0.444749 0.68069 -0.524368 -232.728 -248.082 -98.6743 # jumping subtree containing (T0187)L131 jump= -0.487355 0.211013 -0.847062 0.0210858 -208.5 -37.8898 -148.209 # jumping subtree containing (T0187)G192 jump= -0.6317 -0.319451 0.203575 0.67636 8.24793 -295.635 93.1047 # jumping subtree containing (T0187)P132 jump= -0.604041 -0.00816357 0.772259 0.196683 -134.57 -40.9981 153.963 # jumping subtree containing (T0187)T160 jump= -0.407666 -0.0253468 -0.388906 0.825783 -91.5086 -256.694 -109.007 # jumping subtree containing (T0187)A180 jump= -0.833901 -0.305443 0.187359 -0.419773 -202.459 -7.18895 142.887 # generation 167: best score out of 40: T0187.try1-al4 69.4896 cost/residue, 278 clashes 0.0690853 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 177 ## TwoFragment 24 ## CrossOver 373 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 123 ## OptSubtree 3614 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.772713 0.45647 -0.298348 -0.324866 6.98639 -172.482 148.199 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)Y220 jump= 0.871599 0.180953 -0.381036 -0.249766 1.22865 -102.623 150.603 # jumping subtree containing (T0187)G192 jump= -0.648543 0.174196 0.726469 -0.145913 -107.662 42.6884 77.3678 # jumping subtree containing (T0187)E226 jump= -0.18832 -0.748188 -0.617211 -0.154278 27.8706 -51.1246 135.814 # jumping subtree containing (T0187)W204 jump= 0.21965 -0.510031 -0.825873 -0.0977523 -3.66764 22.423 97.3994 # jumping subtree containing (T0187)Q142 jump= 0.647743 0.532526 0.249654 0.484271 -120.557 -40.3675 149.041 # jumping subtree containing (T0187)T116 jump= 0.197398 -0.487052 0.849584 0.0449503 -285.272 -167.871 -83.7404 # jumping subtree containing (T0187)G125 jump= -0.980713 -0.0326989 0.0751127 0.177459 19.6107 -62.64 45.8823 # jumping subtree containing (T0187)L131 jump= -0.996737 -0.0436572 0.067713 0.00501147 24.333 -5.18336 21.4962 # jumping subtree containing (T0187)E156 jump= -0.970532 -0.150886 -0.0286516 0.185689 66.218 -36.9576 14.448 # jumping subtree containing (T0187)T116 jump= 0.843273 -0.165201 -0.090188 -0.503453 48.869 -173.44 5.82209 # jumping subtree containing (T0187)L131 jump= 0.0370054 -0.425171 0.143764 0.892856 -249.876 -277.477 -61.9794 # jumping subtree containing (T0187)E226 jump= -0.967769 -0.203269 -0.126789 0.0776476 32.2331 -3.83178 32.8028 # jumping subtree containing (T0187)P91 jump= 0.998609 -0.0399612 -0.00660499 0.0337635 -24.4527 31.3714 -8.46403 # generation 168: best score out of 40: T0187.try1-al4 69.4896 cost/residue, 278 clashes 0.0690853 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 177 ## TwoFragment 24 ## CrossOver 379 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 123 ## OptSubtree 3632 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G125 jump= -0.808806 -0.372114 0.454992 0.0186312 -93.1323 -96.0096 173.31 # jumping subtree containing (T0187)P91 jump= 0.45957 -0.0916448 0.853896 -0.226403 -226.677 -65.7612 -140.064 # jumping subtree containing (T0187)E226 jump= -0.985542 0.0311206 0.108043 0.126747 16.2962 -49.7962 28.0596 # jumping subtree containing (T0187)A180 jump= -0.130557 -0.630482 0.752241 -0.139932 -299.876 -243.766 57.8685 # jumping subtree containing (T0187)P237 jump= -0.396864 -0.552211 0.663597 0.31177 -184.025 -267.933 204.178 # jumping subtree containing (T0187)L131 jump= 0.0315257 0.37083 0.891461 -0.258435 -142.301 18.6845 -110.301 # Removing break before 89 # jumping subtree containing (T0187)W204 jump= 0.241574 -0.507872 0.610306 -0.557885 -218.549 -259.923 -81.1222 # jumping subtree containing (T0187)P205 jump= -0.95735 -0.202816 0.137349 -0.153236 -62.021 8.03428 112.388 # jumping subtree containing (T0187)P91 jump= 0.37816 -0.112041 0.844312 0.362739 -297.585 -45.8944 -29.5099 # jumping subtree containing (T0187)G125 jump= -0.305203 0.876779 0.25846 -0.267036 6.43386 -171.822 -103.5 # jumping subtree containing (T0187)W204 jump= 0.0772478 0.758608 -0.638992 -0.101171 -256.644 -287.422 95.4791 # jumping subtree containing (T0187)A180 jump= 0.997621 -0.0671265 0.0137024 -0.0076312 17.4583 20.4436 -20.89 # jumping subtree containing (T0187)E226 jump= -0.987784 -0.128303 0.0585557 0.0662722 11.2459 8.74327 56.0987 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= -0.921341 -0.0336645 -0.18322 0.341215 32.616 -98.9437 -54.3523 # jumping subtree containing (T0187)A180 jump= 0.793723 0.482543 0.356889 -0.0989295 55.3261 -63.7645 26.1149 # generation 169: best score out of 40: T0187.try1-al4 69.4896 cost/residue, 278 clashes 0.0690853 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 177 ## TwoFragment 24 ## CrossOver 386 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 123 ## OptSubtree 3649 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E156 jump= 0.414507 0.845407 -0.320994 0.102141 -133.364 -262.086 166.8 # jumping subtree containing (T0187)G192 jump= -0.95017 -0.303151 0.0256901 0.0679443 11.7889 -47.9083 89.6939 # jumping subtree containing (T0187)P237 jump= -0.282981 -0.180794 0.656258 0.675693 -173.593 -269.016 185.735 # jumping subtree containing (T0187)G125 jump= 0.851975 -0.00512145 -0.0334806 0.522485 -210.249 58.3845 -15.7218 # jumping subtree containing (T0187)Q142 jump= -0.836952 0.476898 -0.226606 -0.143975 -86.5573 -80.9912 -148.089 # jumping subtree containing (T0187)T160 jump= -0.9934 -0.0520712 0.0551283 0.086054 2.82956 -1.9659 22.1983 # jumping subtree containing (T0187)E211 jump= -0.509993 0.484984 -0.305503 0.641378 -72.658 -311.386 -78.5892 # jumping subtree containing (T0187)T116 jump= -0.524845 -0.282244 -0.564719 -0.570937 -189.504 -8.30298 117.554 # jumping subtree containing (T0187)G192 jump= 0.888627 0.140768 -0.352995 -0.256749 -1.50215 -87.9547 147.319 # jumping subtree containing (T0187)T116 jump= 0.427382 0.829367 -0.346804 0.0960325 -115.922 -254.381 132.317 # jumping subtree containing (T0187)P91 jump= -0.210932 0.080408 -0.86036 -0.456971 -296.978 -55.7275 47.2641 # jumping subtree containing (T0187)Y220 jump= 0.375067 -0.366049 -0.696368 0.490311 -133.976 31.2066 -103.851 # jumping subtree containing (T0187)G192 jump= -0.777229 0.475979 -0.371475 -0.177102 -153.195 -88.2105 -154.163 # jumping subtree containing (T0187)P91 jump= -0.692963 0.133117 0.460851 0.538237 -38.3465 -165.433 157.96 # generation 170: best score out of 40: T0187.try1-al4 69.4896 cost/residue, 278 clashes 0.0690853 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 177 ## TwoFragment 24 ## CrossOver 388 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 123 ## OptSubtree 3671 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T160 jump= -0.679758 -0.640889 -0.147891 -0.324528 -58.8802 -83.3708 187.344 # jumping subtree containing (T0187)G192 jump= -0.941083 0.102003 -0.295761 -0.128389 -60.8183 9.17298 -73.4763 # jumping subtree containing (T0187)P91 jump= -0.996301 -0.04241 0.0279452 -0.0693131 -34.4552 5.45873 41.2118 # jumping subtree containing (T0187)G192 jump= 0.688345 0.375161 -0.426206 0.451424 -221.052 -52.6367 165.802 # jumping subtree containing (T0187)T236 jump= -0.561069 -0.434158 0.481259 -0.514876 -279.242 -119.693 161.911 # jumping subtree containing (T0187)L131 jump= 0.401581 0.779616 0.277206 0.392541 -52.7968 -105.062 184.875 # jumping subtree containing (T0187)E211 jump= -0.586683 -0.478115 -0.314708 -0.572859 -192.703 -24.1617 162.416 # jumping subtree containing (T0187)Q142 jump= 0.965965 0.137514 -0.139526 0.168923 -58.7024 24.6892 86.8352 # jumping subtree containing (T0187)A180 jump= -0.92359 -0.00962317 -0.115234 -0.365526 -143.004 51.5033 -16.4647 # jumping subtree containing (T0187)G192 jump= 0.239575 -0.727228 0.319012 0.558547 -199.558 -302.275 -106.042 # jumping subtree containing (T0187)E211 jump= 0.662329 0.13699 0.632528 -0.377441 -29.8627 -96.2139 -130.589 # jumping subtree containing (T0187)T160 jump= -0.893621 0.179419 0.410826 -0.0217365 -35.4405 25.6476 26.6903 # jumping subtree containing (T0187)E211 jump= -0.963989 0.0940745 -0.131129 0.211376 41.8727 -43.3661 -70.7775 # jumping subtree containing (T0187)T236 jump= -0.573733 0.00461429 0.381047 -0.724991 -294.487 -70.919 -35.9062 # jumping subtree containing (T0187)G125 jump= 0.463794 -0.266545 -0.839933 0.0914373 -137.834 33.1278 82.5531 # jumping subtree containing (T0187)G192 jump= -0.694506 -0.430831 0.486609 -0.308638 -201.653 -65.9345 185.275 # jumping subtree containing (T0187)A180 jump= 0.691687 -0.0376207 -0.579829 0.428896 -240.19 9.41154 31.0588 # jumping subtree containing (T0187)T236 jump= 0.163111 -0.269192 0.920051 -0.233315 -304.413 -85.8001 -38.4843 # generation 171: best score out of 40: T0187.try1-al4 69.2459 cost/residue, 291 clashes 0.0571021 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 177 ## TwoFragment 24 ## CrossOver 396 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 123 ## OptSubtree 3686 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= -0.996541 0.0706111 0.0148046 -0.0412427 -23.0226 29.3328 -25.5149 # jumping subtree containing (T0187)P91 jump= 0.718869 -0.22158 0.426491 -0.50223 -46.4938 -218.991 -144.819 # jumping subtree containing (T0187)Y220 jump= -0.638183 0.752951 0.160398 0.00768255 7.91686 -130.084 -95.3996 # jumping subtree containing (T0187)G192 jump= 0.487582 -0.488118 -0.589082 0.420698 -67.1468 10.2768 -113.946 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T160 jump= -0.999683 -0.00443071 0.0151274 0.019608 -11.7778 -13.3372 14.11 # jumping subtree containing (T0187)L131 jump= 0.0700204 -0.936843 0.28656 0.1879 -136.615 -334.559 -53.9504 # jumping subtree containing (T0187)F119 jump= -0.969512 -0.0137195 0.214335 -0.117978 -54.5018 50.6159 58.9831 # Removing break before 89 # jumping subtree containing (T0187)E211 jump= -0.374528 -0.609042 -0.379479 0.58719 10.1765 -174.868 -106.519 # jumping subtree containing (T0187)G192 jump= -0.961442 -0.134444 -0.22166 -0.0917644 -24.2351 26.0792 13.6799 # generation 172: best score out of 40: T0187.try1-al4 69.2459 cost/residue, 291 clashes 0.0571021 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 177 ## TwoFragment 24 ## CrossOver 399 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 124 ## OptSubtree 3706 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.415998 0.547111 0.714499 -0.130791 -63.0521 37.7873 -37.0506 # jumping subtree containing (T0187)A180 jump= -0.565859 0.450841 0.151703 -0.673448 -228.166 -79.8186 -182.074 # jumping subtree containing (T0187)T116 jump= 0.757475 0.427626 0.347477 0.350182 -107.15 33.3036 143.476 # jumping subtree containing (T0187)T236 jump= 0.853607 -0.0242398 -0.461596 -0.240202 40.0171 -69.6941 133.999 # jumping subtree containing (T0187)E156 jump= -0.419543 -0.269504 0.647739 -0.576009 -292.016 -115.041 41.7627 # jumping subtree containing (T0187)A180 jump= -0.386753 -0.304767 -0.853211 0.17196 -154.574 50.3767 -95.7389 # jumping subtree containing (T0187)T236 jump= 0.952619 -0.201359 -0.0243084 -0.226675 71.8976 -98.9606 -54.855 # jumping subtree containing (T0187)E211 jump= -0.987627 0.0565253 0.119004 0.0850662 44.501 -18.2504 38.2771 # Removing break before 101 # jumping subtree containing (T0187)K219 jump= -0.249285 -0.524681 0.687221 0.436228 -206.067 -239.307 146.217 # jumping subtree containing (T0187)L187 jump= 0.168143 0.184937 -0.948199 -0.196073 -293.145 -74.1813 95.8257 # jumping subtree containing (T0187)T236 jump= 0.498319 -0.0790848 0.834792 -0.220334 -152.618 -27.9154 -102.821 # Removing break before 89 # jumping subtree containing (T0187)E211 jump= 0.0358495 -0.631619 -0.566546 -0.528013 -36.9871 -109.017 164.26 # jumping subtree containing (T0187)L131 jump= 0.39356 0.273567 -0.294872 0.826633 -297.027 -175.744 40.1164 # jumping subtree containing (T0187)T160 jump= 0.872753 -0.468447 0.109483 -0.0829075 -0.536399 -74.2579 -133.705 # jumping subtree containing (T0187)E211 jump= -0.121077 -0.000305455 0.731355 0.671163 -180.279 -163.47 193.14 # jumping subtree containing (T0187)E156 jump= -0.426518 -0.799324 -0.246316 0.344226 90.6581 -211.031 20.731 # jumping subtree containing (T0187)G125 jump= -0.144951 0.383245 -0.204807 -0.888913 -288.012 -274.673 -72.1541 # jumping subtree containing (T0187)G125 jump= 0.65994 0.609795 0.430428 -0.0858 31.7332 -22.7361 -7.10382 # generation 173: best score out of 40: T0187.try1-al4 69.245 cost/residue, 302 clashes 0.0571019 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 401 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 124 ## OptSubtree 3736 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G125 jump= 0.444451 0.346205 0.705477 -0.430009 -109.945 -79.0512 -203.195 # jumping subtree containing (T0187)E211 jump= -0.933165 0.210923 -0.289834 -0.026651 -65.5058 -30.3349 -106.642 # jumping subtree containing (T0187)P91 jump= -0.245584 -0.0224032 -0.101344 0.963803 -197.855 -299.96 -24.4795 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G125 jump= -0.983659 0.103577 -0.0401555 -0.141685 -57.5009 33.951 -23.895 # jumping subtree containing (T0187)T116 jump= 0.844966 -0.115931 0.0205905 0.521697 -194.992 -3.72881 -48.63 # jumping subtree containing (T0187)A180 jump= 0.257937 0.436566 0.500563 0.701652 -245.425 -81.5387 179.645 # jumping subtree containing (T0187)E156 jump= -0.941923 -0.25124 0.105339 0.196375 35.8522 -93.3956 103.876 # jumping subtree containing (T0187)T236 jump= 0.606481 -0.561612 0.387945 -0.407764 -94.1734 -238.249 -83.5321 # jumping subtree containing (T0187)T236 jump= -0.969487 0.227979 0.00370422 0.0900429 33.5852 -24.8042 -60.6696 # jumping subtree containing (T0187)T236 jump= -0.755713 0.0480225 -0.567682 -0.322999 -209.825 -14.8037 -38.6475 # generation 174: best score out of 40: T0187.try1-al4 69.244 cost/residue, 302 clashes 0.0571022 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 403 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 125 ## OptSubtree 3763 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)W204 jump= 0.354963 0.398247 0.665213 0.522391 -147.034 -47.6987 179.799 # jumping subtree containing (T0187)P91 jump= 0.60784 0.345072 0.444604 0.560163 -196.254 4.08231 129.804 # jumping subtree containing (T0187)E156 jump= 0.747953 0.270855 0.396209 0.4585 -132.716 16.6065 89.6162 # jumping subtree containing (T0187)P91 jump= -0.997836 -0.0222742 0.00680241 0.0614884 33.4718 -17.2688 -2.48529 # jumping subtree containing (T0187)T116 jump= 0.708069 0.492804 -0.294726 0.410997 -196.483 -83.9245 188.135 # jumping subtree containing (T0187)P91 jump= -0.870325 -0.258969 0.415665 0.0518805 -56.6417 -42.8382 162.583 # generation 175: best score out of 40: T0187.try1-al4 69.2431 cost/residue, 302 clashes 0.057102 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 406 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 3795 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H164 jump= -0.5049 0.690563 0.213151 0.471981 40.5353 -245.317 15.4867 # jumping subtree containing (T0187)T236 jump= 0.972587 -0.0780852 0.114366 0.186809 -94.0792 2.40647 -43.0623 # jumping subtree containing (T0187)P91 jump= 0.852461 -0.29569 -0.0978735 0.419879 -127.565 20.7904 -102.445 # jumping subtree containing (T0187)T236 jump= 0.612142 0.571419 -0.544883 0.0431957 -136.977 -121.761 213.329 # jumping subtree containing (T0187)T236 jump= -0.264105 0.114355 0.383977 -0.877344 -239.218 -171.996 -87.5787 # jumping subtree containing (T0187)T236 jump= 0.200024 0.036469 -0.490172 -0.84758 -151.986 -257.386 173.308 # jumping subtree containing (T0187)T236 jump= 0.283786 -0.174448 0.904865 -0.265053 -196.497 -68.9801 -135.635 # jumping subtree containing (T0187)T236 jump= -0.969298 0.0336262 0.0741674 -0.232012 -70.856 2.22264 -7.16424 # jumping subtree containing (T0187)G125 jump= -0.953509 -0.117087 0.272123 -0.0553266 -31.3109 11.1511 68.6764 # jumping subtree containing (T0187)G171 jump= -0.442436 -0.134551 0.609507 0.643931 -156.042 -234.925 169.722 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T116 jump= -0.531279 0.800227 -0.0452907 -0.27446 -63.4398 -159.157 -162.691 # jumping subtree containing (T0187)T236 jump= 0.160309 0.666081 -0.594405 -0.421093 -193.114 -309.024 112.964 # jumping subtree containing (T0187)G125 jump= 0.999803 0.000239786 0.000673157 0.0198257 -1.02913 10.448 11.4647 # jumping subtree containing (T0187)G171 jump= -0.876779 0.274634 -0.236689 -0.315933 -132.743 -3.10096 -105.495 # jumping subtree containing (T0187)G171 jump= -0.912993 -0.194556 -0.350593 0.0753387 4.69705 -24.0176 -33.9956 # jumping subtree containing (T0187)G171 jump= -0.0694261 -0.721688 0.331692 -0.603595 -204.757 -287.411 104.002 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)W204 jump= 0.296365 -0.808831 0.166939 0.479678 -122.215 -312.358 -98.8671 # generation 176: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571019 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 410 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 3822 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= 0.692739 -0.521877 0.121242 0.482761 -160.269 -108.734 -172.06 # jumping subtree containing (T0187)T236 jump= -0.864714 -0.192576 0.416486 -0.204266 -96.6586 -2.64111 116.145 # jumping subtree containing (T0187)G125 jump= 0.977766 -0.167904 0.0898384 -0.0878112 9.31244 -63.9917 -79.4892 # jumping subtree containing (T0187)A180 jump= -0.586538 0.697243 0.385535 -0.145565 35.6098 -65.6185 -129.032 # jumping subtree containing (T0187)T236 jump= 0.944102 0.19934 0.112236 0.237356 -79.154 16.6221 48.3684 # jumping subtree containing (T0187)G125 jump= 0.0957964 0.940049 -0.325575 -0.0336433 -130.412 -333.42 80.7662 # jumping subtree containing (T0187)P91 jump= 0.992152 0.0518508 -0.106001 0.041357 -11.5776 -12.592 33.0181 # jumping subtree containing (T0187)W204 jump= -0.187138 -0.503614 -0.831597 -0.140708 -47.6499 8.6759 99.5282 # jumping subtree containing (T0187)T236 jump= 0.0399503 0.880683 -0.0888995 -0.46357 -47.3019 -317.969 -51.6582 # jumping subtree containing (T0187)T236 jump= -0.37046 0.0198709 0.185244 -0.909972 -299.51 -154.756 -46.4828 # jumping subtree containing (T0187)L131 jump= -0.0153703 0.370699 0.550104 -0.748152 -140.951 -155.182 -184.773 # generation 177: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 417 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 3843 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= 0.595438 0.0428458 0.756262 0.267742 -187.055 13.494 -33.6202 # jumping subtree containing (T0187)G125 jump= 0.611893 -0.46409 0.241265 -0.593295 -65.4892 -311.997 -86.3169 # jumping subtree containing (T0187)T236 jump= 0.758784 -0.406315 0.126183 0.493186 -189.827 -100.298 -137.133 # jumping subtree containing (T0187)G171 jump= 0.968001 -0.167473 -0.0700831 -0.173249 30.9824 -75.4706 -22.106 # jumping subtree containing (T0187)E156 jump= -0.810057 -0.0991539 0.0917586 -0.570576 -233.531 -20.7183 52.5325 # jumping subtree containing (T0187)Q142 jump= -0.966591 0.113285 -0.119709 0.196311 45.2227 -71.3734 -79.008 # jumping subtree containing (T0187)P91 jump= 0.960834 -0.203273 0.141049 0.124836 -63.026 1.29477 -122.733 # jumping subtree containing (T0187)G171 jump= -0.964526 0.0904743 0.209797 -0.132248 -51.8687 18.3848 31.0437 # jumping subtree containing (T0187)T236 jump= 0.752861 0.119628 0.499546 0.411513 -171.829 12.1142 37.2229 # jumping subtree containing (T0187)G171 jump= 0.115747 -0.612421 0.714289 0.318331 -277.451 -233.7 -6.78623 # jumping subtree containing (T0187)T236 jump= -0.953797 0.0526665 0.0629616 0.28902 93.5184 -94.4985 -7.60947 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)Q142 jump= 0.0986979 0.248025 -0.807943 -0.525329 -245.258 -146.685 113.193 # jumping subtree containing (T0187)T236 jump= -0.871508 0.0388278 0.472904 -0.123806 -41.975 30.4997 68.0499 # jumping subtree containing (T0187)T236 jump= -0.913215 -0.234297 0.174046 0.284343 80.5594 -105.055 105.249 # jumping subtree containing (T0187)G171 jump= 0.138965 -0.898626 0.415724 0.0182421 -150.806 -340.519 -13.5342 # generation 178: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 419 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 3865 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= 0.12175 0.674719 0.0157183 -0.727794 -129.035 -341.908 -110.194 # jumping subtree containing (T0187)Y220 jump= 0.493168 -0.371644 -0.581585 0.529552 -125.695 -25.2178 -117.253 # jumping subtree containing (T0187)N159 jump= 0.601449 0.266528 0.280803 0.698835 -249.516 -74.004 125.648 # jumping subtree containing (T0187)E156 jump= 0.994704 -0.0841413 -0.0572118 -0.014494 0.502312 -32.3563 -5.10703 # jumping subtree containing (T0187)G171 jump= -0.692178 -0.661091 -0.28657 -0.041543 33.2335 -65.2978 118.805 # jumping subtree containing (T0187)G171 jump= 0.633956 -0.0643937 0.732426 -0.239804 -129.13 -71.4964 -148.241 # jumping subtree containing (T0187)G171 jump= 0.99995 0.00259207 0.00955707 0.0013918 11.1861 -14.1324 1.08314 # jumping subtree containing (T0187)Q142 jump= -0.320044 -0.757692 0.31387 0.4743 -124.126 -350.077 48.8467 # Removing break before 80 # jumping subtree containing (T0187)L131 jump= 0.757221 0.636974 0.13902 0.0394132 -9.88142 -74.0524 104.2 # jumping subtree containing (T0187)G125 jump= -0.488713 0.110631 0.862747 -0.0677328 -170.785 10.71 85.9468 # jumping subtree containing (T0187)Y220 jump= 0.247984 -0.430882 -0.459209 0.736187 -153.176 -109.393 -138.787 # jumping subtree containing (T0187)E211 jump= 0.675211 -0.271072 -0.112435 0.676733 -206.044 -56.6788 -103.415 # jumping subtree containing (T0187)G171 jump= 0.999224 -0.0290276 0.0260422 0.00556735 12.5919 -6.08759 -13.0265 # jumping subtree containing (T0187)E218 jump= -0.170567 -0.0521899 0.802662 0.569137 -174.57 -126.496 167.603 # generation 179: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 423 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 3885 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= 0.180873 0.658106 0.390137 0.618041 -94.3897 -137.885 187.558 # jumping subtree containing (T0187)G171 jump= -0.901983 0.401083 -0.158912 -0.0174964 -28.4099 -49.0718 -152.687 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G171 jump= 0.636226 0.623768 -0.16153 0.424308 -181.122 -111.632 193.687 # jumping subtree containing (T0187)A180 jump= -0.794635 -0.422639 -0.360396 -0.245043 -60.8427 3.20012 105.389 # jumping subtree containing (T0187)G171 jump= -0.890616 0.0291454 0.302926 0.337919 54.0983 -112.234 93.2391 # jumping subtree containing (T0187)Y220 jump= -0.844768 -0.431978 -0.00358732 -0.31583 -121.776 -21.1509 142.059 # jumping subtree containing (T0187)Q142 jump= 0.143758 -0.240208 -0.676074 0.681585 -190.039 -91.2843 -182.142 # jumping subtree containing (T0187)G171 jump= 0.145649 0.486033 -0.602622 0.615958 -307.799 -233.909 12.5211 # jumping subtree containing (T0187)T116 jump= -0.780385 0.0850606 0.534952 -0.312393 -134.984 21.2795 22.3019 # jumping subtree containing (T0187)S122 jump= 0.590179 -0.261495 0.159521 0.746902 -306.687 -68.8395 -86.9888 # jumping subtree containing (T0187)G171 jump= 0.998472 -0.0449078 0.0199042 0.0253186 -23.9006 7.12741 -0.559174 # jumping subtree containing (T0187)L131 jump= -0.314325 0.582486 -0.181546 -0.72729 -240.697 -205.035 -137.758 # jumping subtree containing (T0187)T160 jump= 0.993899 -0.0760408 0.0686448 -0.0408648 19.1532 -7.51138 -16.527 # jumping subtree containing (T0187)T160 jump= -0.963341 -0.211919 0.00279946 -0.164486 -32.8208 28.8407 82.99 # generation 180: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 430 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 3902 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= -0.487447 -0.684465 0.0124787 0.541985 2.23065 -285.171 38.3016 # jumping subtree containing (T0187)P91 jump= 0.802448 0.388984 -0.225713 -0.392202 40.0594 -205.298 142.448 # jumping subtree containing (T0187)T236 jump= -0.191141 0.47 -0.542536 -0.669493 -274.513 -274.203 15.8502 # jumping subtree containing (T0187)G125 jump= 0.673567 -0.0386303 -0.0911847 0.732462 -285.971 -34.174 -9.92508 # jumping subtree containing (T0187)P91 jump= -0.999874 0.00198761 0.00232572 0.0155712 25.7568 -0.203363 6.65295 # jumping subtree containing (T0187)T236 jump= 0.841318 -0.272013 -0.370602 0.284336 -70.6045 21.181 -58.3909 # jumping subtree containing (T0187)T116 jump= 0.640155 -0.560792 -0.525044 0.00652746 17.5601 -34.6415 -40.5694 # jumping subtree containing (T0187)G125 jump= -0.912908 0.165 -0.364924 0.0787639 -46.3197 -28.8443 -126.015 # jumping subtree containing (T0187)T236 jump= -0.9859 -0.0852544 -0.142555 -0.0202637 -32.9968 5.73512 -17.3808 # jumping subtree containing (T0187)G171 jump= -0.1426 -0.822505 0.0296479 -0.549793 -104.227 -261.418 166.392 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T236 jump= 0.999495 0.00840704 -0.0213266 -0.0219901 -6.2105 -21.5607 19.3507 # jumping subtree containing (T0187)E211 jump= -0.286644 -0.410726 0.86514 0.0259286 -269.938 -129.46 80.1202 # jumping subtree containing (T0187)P91 jump= 0.793784 0.323218 0.333178 0.392974 -156.923 64.7054 97.5691 # jumping subtree containing (T0187)E156 jump= -0.279659 -0.511164 0.0376309 -0.811841 -241.494 -256.487 140.272 # jumping subtree containing (T0187)G171 jump= -0.963795 0.215677 -0.0240946 -0.154924 -48.7378 18.1104 -54.8872 # jumping subtree containing (T0187)T116 jump= 0.997513 0.043976 -0.0501782 0.0227196 -4.19909 -22.1541 23.1712 # generation 181: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 432 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 3924 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G125 jump= 0.141462 0.763536 0.574296 0.2592 -4.22602 -52.3566 159.85 # jumping subtree containing (T0187)T236 jump= 0.0129299 0.240308 -0.586186 0.773609 -243.555 -226.893 -69.6439 # jumping subtree containing (T0187)G171 jump= 0.107605 0.909109 0.383345 -0.122425 51.4615 -182.576 -0.0772924 # jumping subtree containing (T0187)G171 jump= -0.857293 0.0207208 0.502389 0.110565 -31.3118 -12.7798 137.487 # jumping subtree containing (T0187)W204 jump= 0.984211 -0.0124211 0.152303 0.0893203 -22.1405 12.1836 -9.85118 # jumping subtree containing (T0187)G171 jump= 0.990318 0.133967 0.0337063 0.013691 -3.82439 -19.7592 49.0794 # jumping subtree containing (T0187)T236 jump= -0.886474 -0.287082 -0.302952 0.199921 59.8057 -62.5246 -22.1956 # jumping subtree containing (T0187)G171 jump= 0.658704 -0.368915 0.0364719 0.654736 -227.392 -56.055 -148.191 # jumping subtree containing (T0187)E218 jump= -0.243909 0.597595 -0.630371 -0.431302 -265.805 -219.563 -26.0554 # jumping subtree containing (T0187)L105 jump= -0.576754 -0.627871 -0.366852 0.372227 58.502 -148.747 -18.7283 # jumping subtree containing (T0187)E156 jump= 0.671196 -0.498887 -0.524236 -0.160577 32.6818 -65.4428 37.0596 # jumping subtree containing (T0187)G125 jump= -0.920704 0.093414 -0.140449 0.351927 69.9855 -141.155 -62.8285 # jumping subtree containing (T0187)T236 jump= -0.293608 -0.039377 -0.555752 0.776777 -110.523 -248.073 -150.306 # jumping subtree containing (T0187)G171 jump= 0.991009 0.102287 0.0224202 0.0832848 -22.215 38.9608 42.0277 # generation 182: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 439 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 3941 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E211 jump= 0.992618 0.0949618 -0.0726963 -0.0201695 -8.23223 -10.3853 43.274 # jumping subtree containing (T0187)G171 jump= 0.302829 -0.187387 0.295043 0.88664 -309.632 -219.319 6.38053 # jumping subtree containing (T0187)E218 jump= 0.904834 -0.258292 -0.305979 -0.144696 54.1532 -38.977 2.24317 # jumping subtree containing (T0187)G171 jump= -0.277239 -0.554327 -0.276509 0.734441 -69.5249 -269.475 -139.413 # jumping subtree containing (T0187)D206 jump= 0.916194 0.355451 -0.053765 -0.177066 34.4082 -83.3661 97.8192 # jumping subtree containing (T0187)Q142 jump= 0.999156 -0.0398994 -0.00283272 0.00939613 11.2069 3.24571 12.9 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G171 jump= 0.879643 0.468514 0.00123246 0.08198 -40.4456 -49.8287 136.398 # jumping subtree containing (T0187)N114 jump= 0.172068 -0.199398 -0.555773 0.78851 -206.722 -142.75 -150.783 # jumping subtree containing (T0187)T160 jump= -0.807248 -0.29073 0.370368 -0.355885 -193.813 -5.48329 111.574 # jumping subtree containing (T0187)G171 jump= 0.759932 0.155682 -0.176487 0.605903 -262.142 -0.298419 86.4817 # jumping subtree containing (T0187)G171 jump= -0.132762 0.566952 0.812062 0.0386717 -32.231 -1.53656 33.5353 # generation 183: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 447 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 3957 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= 0.986271 -0.0734071 0.0410891 0.142098 -43.8889 42.3397 -39.4635 # jumping subtree containing (T0187)Q142 jump= 0.270877 -0.0200671 -0.0394493 0.961596 -301.393 -238.878 7.5448 # jumping subtree containing (T0187)G171 jump= -0.566871 0.663177 -0.0446969 0.486679 14.9077 -299.788 -23.4741 # jumping subtree containing (T0187)T236 jump= 0.13183 0.676429 -0.502142 0.522415 -278.493 -289.048 46.6122 # jumping subtree containing (T0187)Q142 jump= -0.262971 -0.158538 -0.161309 -0.937919 -262.444 -206.27 108.124 # jumping subtree containing (T0187)Y220 jump= 0.984246 -0.0569916 -0.116976 -0.119701 40.8611 -17.6273 40.3189 # jumping subtree containing (T0187)E211 jump= 0.234344 -0.949718 -0.206647 -0.0204027 67.8478 -234.635 -33.6588 # jumping subtree containing (T0187)G171 jump= -0.897861 0.400602 0.172668 0.0595732 47.3916 -30.6112 -64.0053 # jumping subtree containing (T0187)P91 jump= -0.794285 0.109557 -0.437742 -0.406805 -223.511 33.7323 -89.7652 # jumping subtree containing (T0187)E156 jump= 0.955043 -0.065178 0.15927 -0.241408 21.8325 -78.6095 -52.8668 # Removing break before 89 # jumping subtree containing (T0187)T160 jump= 0.86076 -0.146303 0.394817 0.286018 -173.751 -5.96429 -95.7933 # jumping subtree containing (T0187)A180 jump= 0.880223 0.0507107 0.356813 -0.30874 55.7097 -94.8074 -101.299 # jumping subtree containing (T0187)T236 jump= 0.98857 0.036894 -0.140427 0.0406126 1.27311 7.27646 39.0417 # jumping subtree containing (T0187)T116 jump= -0.968239 0.208429 0.101656 0.0934695 31.1313 -38.1706 -41.7118 # jumping subtree containing (T0187)G171 jump= -0.393086 -0.108746 -0.908646 -0.0895557 -213.318 23.0682 -25.4751 # generation 184: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 451 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 3977 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)N114 jump= -0.63182 -0.111905 0.724943 0.250476 -104.363 -58.9232 173.375 # jumping subtree containing (T0187)G171 jump= -0.467968 0.0609251 0.227076 0.851898 -103.879 -326.064 97.4969 # jumping subtree containing (T0187)G171 jump= 0.994631 0.102562 -0.00175591 -0.0136467 -0.709505 -7.94711 20.6304 # jumping subtree containing (T0187)T160 jump= 0.99508 -0.0116531 0.0958153 -0.022338 8.26339 18.5051 -34.7505 # jumping subtree containing (T0187)T236 jump= -0.905569 0.20004 -0.332755 0.170889 -3.3788 -81.1886 -105.617 # jumping subtree containing (T0187)E211 jump= -0.859425 -0.123804 -0.213917 -0.447549 -140.049 36.4109 28.3766 # jumping subtree containing (T0187)A180 jump= -0.170988 -0.912424 -0.356476 -0.10569 82.2159 -179.893 69.7611 # jumping subtree containing (T0187)G171 jump= -0.976329 0.0454738 -0.148861 0.150182 36.8137 -23.9444 -46.4597 # jumping subtree containing (T0187)G171 jump= -0.576042 -0.519027 -0.606055 -0.177434 -59.3839 12.9246 76.8611 # jumping subtree containing (T0187)Q142 jump= 0.927143 -0.209904 0.0785919 -0.300283 77.1067 -100.758 -66.0949 # jumping subtree containing (T0187)T236 jump= 0.0677819 -0.615223 0.450252 -0.643568 -192.379 -320.709 -5.43258 # jumping subtree containing (T0187)E226 jump= -0.451435 0.533473 -0.36869 0.612928 -109.111 -314.801 -98.5007 # jumping subtree containing (T0187)T236 jump= -0.32868 0.274655 0.889468 0.159311 -78.8428 13.3461 95.4423 # jumping subtree containing (T0187)G171 jump= 0.975231 0.00410236 0.221144 0.00178179 1.61041 -6.49469 -56.2483 # generation 185: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 456 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 3996 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T116 jump= -0.945027 -0.222487 -0.209618 -0.116117 -23.4851 26.9183 24.7631 # jumping subtree containing (T0187)E211 jump= -0.449898 -0.733211 0.378202 0.34199 -93.5339 -279.939 142.197 # jumping subtree containing (T0187)S127 jump= -0.333177 0.375415 -0.765288 -0.402978 -343.688 -135.055 -54.7912 # jumping subtree containing (T0187)G171 jump= 0.100831 0.582997 0.804438 -0.053166 -34.0376 -2.28855 -18.9837 # jumping subtree containing (T0187)N114 jump= -0.99968 -0.00580358 -0.0245107 0.00238489 9.81097 -11.6173 0.0469756 # jumping subtree containing (T0187)Y220 jump= -0.731444 0.21221 0.50883 0.401308 34.6481 -106.516 136.184 # jumping subtree containing (T0187)G125 jump= 0.717161 0.414452 -0.549609 0.108808 -186.067 -66.4049 209.652 # jumping subtree containing (T0187)N114 jump= 0.775442 -0.392882 -0.103581 -0.483326 68.6491 -162.09 -3.127 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G171 jump= 0.949595 0.285956 0.0922882 0.089334 -28.7267 -6.72135 74.6902 # jumping subtree containing (T0187)G171 jump= -0.573725 0.428889 0.355545 0.600401 19.8908 -201.522 124.482 # jumping subtree containing (T0187)G171 jump= -0.328749 0.0836565 0.667988 -0.662358 -275.589 -58.7407 -82.7999 # generation 186: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 460 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 4016 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T160 jump= 0.39799 -0.345247 -0.739953 -0.418184 -49.104 -64.9715 161.376 # jumping subtree containing (T0187)W204 jump= -0.972308 -0.117243 0.0260343 -0.200482 -83.203 23.3449 28.2731 # jumping subtree containing (T0187)G171 jump= -0.60357 0.709095 -0.356026 0.0783145 -108.362 -259.368 -177.192 # jumping subtree containing (T0187)E156 jump= -0.762601 0.0985735 0.595268 0.233193 11.5225 -50.9436 114.12 # jumping subtree containing (T0187)E211 jump= -0.681152 -0.404942 0.337493 -0.508087 -238.041 -67.2234 120.366 # jumping subtree containing (T0187)E226 jump= 0.888855 0.203361 0.333161 0.239967 -94.0787 50.7561 45.1756 # jumping subtree containing (T0187)E211 jump= -0.304294 0.897503 0.288738 -0.136101 67.2792 -201.886 -89.9286 # jumping subtree containing (T0187)G171 jump= -0.979964 -0.0292033 0.116897 -0.158597 -81.552 31.5826 35.9052 # jumping subtree containing (T0187)G171 jump= -0.704672 0.24451 -0.188275 0.638909 1.95471 -254.592 -67.0475 # jumping subtree containing (T0187)E211 jump= 0.379283 0.4625 -0.699783 -0.390568 -183.275 -213.455 155.891 # jumping subtree containing (T0187)V197 jump= 0.9925 -0.0820177 -0.0555315 0.071645 -4.94727 -6.65391 -7.30535 # jumping subtree containing (T0187)G171 jump= -0.086849 -0.101662 0.815803 -0.562661 -303.675 -80.8197 -86.4151 # jumping subtree containing (T0187)E211 jump= -0.68488 0.65993 -0.137071 -0.276847 -105.156 -167.084 -160.947 # jumping subtree containing (T0187)P91 jump= 0.0699286 -0.901166 -0.175564 0.390112 -8.15824 -238.372 -84.3195 # jumping subtree containing (T0187)P91 jump= -0.0696586 0.796399 0.566516 -0.199891 14.1259 -72.2222 -33.4083 # jumping subtree containing (T0187)G171 jump= 0.505637 0.54963 -0.548698 -0.375724 -119.796 -256.108 184.248 # jumping subtree containing (T0187)N114 jump= -0.480087 -0.762568 -0.206186 -0.381435 -49.1031 -124.069 158.126 # jumping subtree containing (T0187)P91 jump= -0.179694 -0.483676 -0.279557 -0.809701 -227.983 -173.961 176.227 # generation 187: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 467 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 4033 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= -0.0519583 0.869123 -0.456362 0.183463 -175.984 -315.989 4.39499 # Removing break before 40 # jumping subtree containing (T0187)G125 jump= -0.465346 -0.188024 -0.637567 0.584473 -86.975 -115.862 -175.947 # jumping subtree containing (T0187)G171 jump= 0.899475 -0.0023692 -0.428186 -0.087152 10.8747 -18.1192 112.933 # jumping subtree containing (T0187)N114 jump= 0.590561 0.299678 -0.131826 -0.737599 -30.7122 -303.33 46.4667 # Removing break before 40 # jumping subtree containing (T0187)G171 jump= -0.632304 -0.652063 0.172108 0.381292 21.5572 -247.601 110.786 # jumping subtree containing (T0187)G171 jump= -0.224697 0.187375 0.927345 0.233309 -164.11 -2.87281 157.704 # jumping subtree containing (T0187)A180 jump= -0.264884 -0.840427 0.472769 0.00299985 -170.466 -317.198 88.6023 # jumping subtree containing (T0187)L131 jump= -0.0211758 0.453943 -0.59235 0.665288 -294.337 -256.293 -15.1082 # jumping subtree containing (T0187)Q142 jump= 0.0583456 0.472241 -0.87153 -0.118407 -316.745 -181.801 2.29983 # jumping subtree containing (T0187)G125 jump= 0.538362 -0.317472 -0.188804 -0.75745 -32.4834 -322.462 99.4288 # jumping subtree containing (T0187)G171 jump= -0.448451 0.137654 0.720435 -0.5108 -232.093 31.0038 -37.716 # jumping subtree containing (T0187)G171 jump= 0.996757 -0.0413605 0.06603 0.020121 -27.3262 -10.9165 -26.4038 # jumping subtree containing (T0187)G125 jump= -0.99774 -0.0528154 0.0288823 0.0298578 -4.1265 4.03139 43.0556 # jumping subtree containing (T0187)G171 jump= -0.606535 0.745024 -0.209401 -0.182224 -89.9839 -211.028 -194.362 # generation 188: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 473 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 4051 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E211 jump= -0.998409 0.000965446 0.0524966 0.020567 4.39125 -3.96404 17.01 # jumping subtree containing (T0187)G171 jump= -0.126321 -0.896791 0.385737 -0.17611 -161.303 -309.087 92.9206 # jumping subtree containing (T0187)G171 jump= -0.646597 -0.591624 -0.430854 -0.215076 -10.7473 1.13427 104.789 # jumping subtree containing (T0187)E211 jump= -0.345819 -0.0941427 -0.845596 -0.39562 -191.9 4.7651 82.6577 # jumping subtree containing (T0187)G125 jump= -0.565646 -0.740088 0.363389 -0.0162121 -98.5647 -223.604 199.826 # jumping subtree containing (T0187)P91 jump= -0.127216 0.620945 -0.122243 -0.763741 -211.964 -297.263 -100.621 # jumping subtree containing (T0187)P91 jump= 0.21874 -0.41777 -0.409894 0.780774 -211.48 -118.931 -175.456 # jumping subtree containing (T0187)G125 jump= -0.544708 -0.703669 0.156532 -0.428533 -163.482 -121.896 217.642 # jumping subtree containing (T0187)E211 jump= -0.985558 0.0450492 -0.162443 -0.0160431 -12.8522 15.5034 -27.3767 # jumping subtree containing (T0187)G171 jump= 0.392161 -0.601416 0.00378482 -0.696056 -69.4468 -338.072 54.3759 # jumping subtree containing (T0187)W204 jump= -0.487852 -0.313923 0.762827 -0.285565 -260.9 -64.9827 87.3392 # jumping subtree containing (T0187)G125 jump= 0.918255 0.0891717 -0.338952 0.184303 -67.2267 17.056 113.032 # generation 189: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 480 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 4068 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T160 jump= -0.666181 -0.422005 0.468782 -0.397941 -226 -94.034 119.447 # jumping subtree containing (T0187)E226 jump= -0.76278 -0.382865 0.0185986 -0.520802 -160.568 -46.8189 140.249 # jumping subtree containing (T0187)T236 jump= -0.242958 0.615982 -0.334587 0.670514 -121.451 -353.408 -26.5379 # jumping subtree containing (T0187)A180 jump= 0.239914 -0.583201 -0.372311 0.680957 -153.006 -132.601 -194.389 # jumping subtree containing (T0187)G171 jump= -0.086026 -0.743582 0.247349 0.615227 -142.589 -347.731 -33.4595 # jumping subtree containing (T0187)E211 jump= -0.972365 0.169762 -0.130233 0.0934154 6.72186 -36.0126 -103.748 # jumping subtree containing (T0187)P91 jump= 0.997248 -0.0707776 -0.0214509 -0.00520713 -2.83194 0.601964 -9.09426 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)Q142 jump= 0.819858 0.522171 0.229082 -0.0518884 47.6031 -63.7808 75.8244 # jumping subtree containing (T0187)E211 jump= -0.939418 0.0744096 0.278611 0.185293 43.0415 -40.3766 55.4087 # jumping subtree containing (T0187)Q142 jump= 0.410347 0.657819 -0.60551 0.179572 -216.857 -223.901 108.122 # jumping subtree containing (T0187)E156 jump= -0.973687 0.00722996 -0.0290174 -0.22592 -94.2551 25.4426 7.05136 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G171 jump= 0.261685 0.698652 0.543406 0.384859 -46.2536 -94.0779 162.227 # generation 190: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 484 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 4088 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S225 jump= 0.19098 0.319787 0.895821 0.242422 -104.447 -6.81463 96.3553 # jumping subtree containing (T0187)G171 jump= 0.85123 -0.0204061 0.51775 -0.0832173 -59.6286 -17.0954 -128.646 # jumping subtree containing (T0187)G171 jump= -0.935635 0.260327 0.175751 0.161025 49.3109 -59.0004 -38.0705 # jumping subtree containing (T0187)A180 jump= -0.371615 0.549092 0.404452 0.629935 -5.1716 -226.274 161.403 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E211 jump= 0.851254 0.27297 0.0162363 0.447873 -145.441 -14.5985 77.7723 # jumping subtree containing (T0187)T236 jump= -0.797753 0.235916 -0.301359 -0.465958 -216.941 -62.9115 -93.7546 # jumping subtree containing (T0187)G171 jump= 0.359462 -0.218822 -0.868483 -0.261995 -136.997 -34.4781 174.36 # jumping subtree containing (T0187)K238 jump= 0.028483 -0.176165 0.59124 -0.786505 -236.612 -235.218 -129.312 # jumping subtree containing (T0187)G124 jump= 0.0548575 0.170236 -0.744712 -0.642973 -263.683 -181.319 145.884 # jumping subtree containing (T0187)E211 jump= 0.590147 0.549546 0.0448193 0.589676 -178.784 -102.124 181.833 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G171 jump= -0.939753 0.127152 0.3159 0.0300626 10.3328 -13.4699 24.1931 # jumping subtree containing (T0187)G171 jump= -0.768848 -0.436727 -0.112849 -0.453219 -176.249 -5.74599 157.379 # jumping subtree containing (T0187)E211 jump= 0.0125525 0.00159714 -0.995546 0.0934221 -213.086 -18.2764 -22.3787 # jumping subtree containing (T0187)G171 jump= 0.963948 0.222365 0.0590241 -0.133693 38.4012 -42.6114 68.9499 # jumping subtree containing (T0187)G171 jump= 0.565533 -0.519858 0.614297 0.180443 -240.361 -179.226 -164.078 # jumping subtree containing (T0187)T160 jump= 0.382163 -0.00524695 0.871035 0.308579 -212.234 -14.6693 9.7024 # jumping subtree containing (T0187)N114 jump= 0.593312 0.441994 -0.313413 -0.595311 -22.5592 -257.286 105.266 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E211 jump= -0.708089 0.0908481 -0.290496 -0.637157 -257.329 -13.4074 -22.7633 # generation 191: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 489 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 4107 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E211 jump= 0.99801 -0.0489975 -0.0396807 -0.00129694 -5.54074 4.45733 -22.386 # jumping subtree containing (T0187)T236 jump= 0.136572 0.305765 -0.926324 -0.172566 -271.987 -122.854 102.183 # jumping subtree containing (T0187)G171 jump= 0.144384 -0.0666 0.221309 -0.962154 -218.746 -292.866 -51.9429 # jumping subtree containing (T0187)E211 jump= 0.99234 -0.102587 -0.0156529 0.0670204 -16.3809 19.3487 -41.2294 # jumping subtree containing (T0187)T236 jump= -0.846702 -0.210498 -0.41075 -0.26471 -109.706 55.1933 50.7567 # jumping subtree containing (T0187)S210 jump= -0.950181 0.126956 -0.236949 0.157775 -3.65895 -43.173 -78.2432 # jumping subtree containing (T0187)E211 jump= 0.798846 -0.0411557 0.457817 -0.388014 7.45338 -139.56 -139.019 # jumping subtree containing (T0187)T236 jump= -0.555147 -0.0945384 0.498281 0.659235 -31.5081 -214.652 189.974 # jumping subtree containing (T0187)G125 jump= -0.160064 0.34024 -0.854406 0.358618 -318.618 -152.267 -95.3488 # jumping subtree containing (T0187)Q142 jump= -0.416068 -0.704932 -0.109943 0.5638 13.0637 -267.535 -35.2666 # jumping subtree containing (T0187)G171 jump= 0.198906 0.384716 0.770148 -0.468298 -108.973 -63.4681 -155.357 # jumping subtree containing (T0187)P91 jump= 0.376727 0.175328 0.639834 0.646489 -282.642 -55.6447 108.812 # jumping subtree containing (T0187)G125 jump= 0.870246 0.128693 0.167215 0.445139 -167.215 47.7466 10.1533 # jumping subtree containing (T0187)E211 jump= 0.430765 -0.579334 -0.65606 0.22 -23.6599 -19.328 -57.1918 # generation 192: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 496 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 4124 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E211 jump= -0.168437 -0.886132 0.425858 -0.0710196 -155.603 -313.391 96.0844 # jumping subtree containing (T0187)T236 jump= 0.110573 0.644093 0.62033 -0.433715 19.5539 -131.797 -132.007 # jumping subtree containing (T0187)T116 jump= -0.446978 0.0361709 0.416204 -0.790997 -296.288 -104.083 -60.7079 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E211 jump= -0.398205 0.289472 -0.053859 -0.868756 -251.579 -182.392 -92.938 # jumping subtree containing (T0187)T116 jump= -0.350718 -0.141368 -0.790439 0.48189 -99.6923 -92.2677 -174.746 # jumping subtree containing (T0187)P132 jump= -0.523626 -0.765928 -0.372804 -0.0137049 69.7272 -90.3406 81.236 # jumping subtree containing (T0187)G171 jump= 0.0192121 0.810043 0.545509 -0.2142 45.1926 -96.1069 -51.2566 # jumping subtree containing (T0187)G171 jump= 0.850006 0.296948 0.420982 -0.109941 3.46299 -30.6988 -21.3487 # jumping subtree containing (T0187)T236 jump= 0.998574 -0.00324018 -0.0446497 0.0290979 -11.6163 9.41092 28.2084 # generation 193: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 502 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 4142 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G125 jump= -0.972488 0.126388 0.135914 0.140788 52.2345 -42.7169 3.48289 # jumping subtree containing (T0187)V117 jump= 0.458902 -0.069337 -0.824665 -0.323309 -143.017 -66.5412 160.973 # jumping subtree containing (T0187)Y220 jump= -0.859621 -0.477599 -0.165944 0.0735754 12.5292 -50.7042 98.87 # jumping subtree containing (T0187)G171 jump= 0.865672 0.176656 0.0934734 -0.458986 56.3872 -187.831 -7.21142 # jumping subtree containing (T0187)G171 jump= 0.991207 0.0485901 -0.123072 0.000840271 -9.78613 -19.5397 35.3502 # jumping subtree containing (T0187)Q142 jump= 0.200561 -0.567659 -0.558609 0.570521 -73.5116 -89.3818 -201.031 # jumping subtree containing (T0187)G171 jump= 0.956946 -0.234202 -0.171442 0.00331917 21.6851 -6.44871 -37.99 # generation 194: best score out of 40: T0187.try1-al4 69.243 cost/residue, 302 clashes 0.0571018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 507 ## CrossAndInsert 108 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 4161 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E130 jump= 0.0422156 -0.475979 0.593814 -0.647338 -257.333 -270.68 -48.5651 # jumping subtree containing (T0187)G171 jump= 0.624946 -0.32723 -0.278359 0.651828 -205.664 -22.2296 -135.528 # jumping subtree containing (T0187)G171 jump= 0.983508 -0.0701717 -0.164118 0.0292208 11.2645 -4.79866 16.4833 # jumping subtree containing (T0187)G125 jump= 0.780636 0.586512 0.0997227 0.191487 -63.9223 -47.0587 155.306 # jumping subtree containing (T0187)G171 jump= 0.40075 -0.0772837 -0.27072 0.871858 -307.727 -148.584 -55.0292 # jumping subtree containing (T0187)P91 jump= 0.403342 -0.22962 0.155222 -0.872064 -135.502 -355.732 -49.0205 # jumping subtree containing (T0187)P91 jump= 0.758422 -0.111357 -0.565446 0.304413 -146.711 69.1588 36.2542 # jumping subtree containing (T0187)G171 jump= -0.789128 0.487219 -0.301454 -0.221404 -131.367 -102.714 -187.446 # jumping subtree containing (T0187)E211 jump= 0.22667 0.729107 0.645442 -0.020707 64.9715 -69.875 51.6006 # generation 195: best score out of 40: T0187.try1-al4 69.2386 cost/residue, 303 clashes 0.0614652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 513 ## CrossAndInsert 108 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 4178 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= 0.304749 0.904213 0.232415 0.188442 19.1002 -184.521 113.613 # jumping subtree containing (T0187)G125 jump= 0.0573475 -0.716908 0.548906 0.425977 -228.749 -339.979 0.14138 # jumping subtree containing (T0187)E211 jump= -0.102353 -0.821906 -0.160705 -0.536813 -51.2773 -263.484 128.48 # jumping subtree containing (T0187)E211 jump= 0.35136 -0.0503695 -0.932805 0.0623186 -162.573 -3.47536 72.2436 # jumping subtree containing (T0187)G171 jump= -0.6831 0.506839 -0.499854 0.163199 -124.169 -177.818 -180.43 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T116 jump= -0.481296 -0.230526 0.755934 -0.379178 -257.285 -38.4744 56.632 # jumping subtree containing (T0187)G171 jump= -0.276275 0.58423 -0.754679 0.113174 -299.043 -229.78 -96.4705 # jumping subtree containing (T0187)G125 jump= 0.920403 0.333732 -0.197589 -0.0494026 1.83025 -65.5575 135.816 # jumping subtree containing (T0187)G171 jump= 0.721121 0.530108 0.325139 -0.305376 67.946 -123.562 -37.9215 # jumping subtree containing (T0187)G171 jump= -0.345621 -0.0908725 -0.841615 0.404934 -158.483 -76.7637 -168.312 # jumping subtree containing (T0187)E211 jump= -0.91304 0.00495937 0.321735 -0.25064 -107.389 7.82354 34.1613 # jumping subtree containing (T0187)A180 jump= 0.527708 0.341019 0.0796822 0.773874 -288.416 -88.3768 148.389 # generation 196: best score out of 40: T0187.try1-al4 69.2386 cost/residue, 303 clashes 0.0614652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 516 ## CrossAndInsert 108 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 4199 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= 0.765381 0.0510332 0.63912 0.0557947 -78.2851 -1.40833 -47.1524 # jumping subtree containing (T0187)T209 jump= 0.986164 0.0104896 -0.0737254 -0.148105 27.7413 -46.0037 20.0699 # jumping subtree containing (T0187)Q142 jump= -0.229387 -0.890607 -0.227976 0.319729 62.0775 -265.705 -60.7742 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E211 jump= -0.473129 0.756515 -0.368526 0.260812 -90.6757 -295.81 -121.861 # jumping subtree containing (T0187)G171 jump= -0.971723 0.0664561 -0.225983 -0.0164098 8.3015 -0.228344 -47.8487 # jumping subtree containing (T0187)G171 jump= -0.957381 -0.0765022 -0.204891 0.188652 42.9313 -38.6894 -42.2935 # jumping subtree containing (T0187)T236 jump= -0.796226 -0.27823 -0.434259 0.316278 73.566 -58.8736 -68.7526 # jumping subtree containing (T0187)Q142 jump= -0.908207 0.199404 -0.132604 -0.343242 -111.407 8.31257 -70.713 # jumping subtree containing (T0187)G171 jump= 0.964978 0.0555261 0.241837 0.0851421 -64.3547 28.9407 -21.4681 # jumping subtree containing (T0187)G171 jump= 0.986691 -0.0758045 0.0240552 0.14183 -47.8806 42.7912 -25.8252 # jumping subtree containing (T0187)G171 jump= -0.477693 0.0147074 0.848971 -0.225479 -220.725 12.0493 38.7168 # jumping subtree containing (T0187)E211 jump= -0.980458 -0.103485 0.0692133 0.152325 50.6838 -38.7065 72.1116 # jumping subtree containing (T0187)T236 jump= -0.207954 0.374876 0.352635 0.831788 -73.1904 -329.897 187.485 # jumping subtree containing (T0187)G125 jump= 0.686678 -0.0187002 0.226658 0.690471 -295.234 -1.82376 3.77184 # jumping subtree containing (T0187)E211 jump= -0.664472 0.380734 0.635185 0.100295 22.5341 -11.3767 39.6532 # jumping subtree containing (T0187)G171 jump= -0.627087 -0.753701 -0.041606 -0.192264 -51.3077 -152.307 180.29 # jumping subtree containing (T0187)Y220 jump= 0.553814 0.526399 -0.339565 -0.548534 -55.8492 -263.651 114.191 # jumping subtree containing (T0187)P91 jump= -0.962662 -0.204606 -0.0109527 -0.176915 -79.5992 22.98 83.572 # generation 197: best score out of 40: T0187.try1-al4 69.2386 cost/residue, 303 clashes 0.0614653 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 519 ## CrossAndInsert 108 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 4228 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G125 jump= -0.991808 0.090262 0.0893384 -0.0136877 -26.1225 -2.55119 -2.68718 # jumping subtree containing (T0187)P91 jump= -0.5128 -0.347908 0.720994 0.310103 -193.393 -182.393 188.437 # jumping subtree containing (T0187)T160 jump= 0.638248 0.447522 -0.553323 -0.293594 -100.135 -173.669 173.613 # jumping subtree containing (T0187)G171 jump= -0.519222 0.714851 0.463801 -0.0654561 26.5612 -64.5096 -34.3284 # jumping subtree containing (T0187)S210 jump= -0.819888 0.265159 -0.465679 -0.201537 -156.704 -9.66058 -113.108 # jumping subtree containing (T0187)E211 jump= 0.600842 -0.430326 0.641596 -0.205337 -155.17 -169.565 -186.663 # jumping subtree containing (T0187)G171 jump= -0.310219 0.172193 0.919994 -0.166509 -161.991 30.0933 24.8973 # jumping subtree containing (T0187)G171 jump= -0.647113 -0.717741 -0.23438 -0.10564 32.7306 -93.1385 134.437 # jumping subtree containing (T0187)G125 jump= 0.511526 -0.360219 0.331431 -0.706213 -100.897 -299.362 -105.746 # generation 198: best score out of 40: T0187.try1-al4 69.2386 cost/residue, 303 clashes 0.0614652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 525 ## CrossAndInsert 108 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 4246 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E211 jump= 1 -3.10162e-06 -2.54886e-06 -4.07145e-06 -17.2585 -6.30627 -1.44668 # jumping subtree containing (T0187)E211 jump= 0.78939 0.512555 -0.294388 0.165791 -119.785 -94.9804 187.044 # jumping subtree containing (T0187)E211 jump= -0.201546 -0.340342 0.1083 -0.91204 -246.401 -255.387 68.2504 # jumping subtree containing (T0187)A180 jump= -0.245707 0.377614 0.862798 0.229382 -71.6087 18.4913 109.245 # jumping subtree containing (T0187)E211 jump= -0.50869 0.698875 0.45327 -0.217611 26.9079 -79.6492 -89.7543 # jumping subtree containing (T0187)A180 jump= -0.921107 0.0971312 -0.360172 0.111368 5.78086 -49.6942 -122.289 # jumping subtree containing (T0187)E211 jump= -0.514248 -0.061046 0.0680774 0.852753 -40.0357 -321.999 26.5396 # jumping subtree containing (T0187)E218 jump= -0.911805 -0.0924367 0.39809 -0.0398881 -63.9486 -20.6642 113.913 # jumping subtree containing (T0187)Q142 jump= 0.409453 -0.530871 -0.620402 -0.40697 23.897 -92.1759 122.58 # jumping subtree containing (T0187)G125 jump= -0.822816 0.408733 0.367211 0.145143 57.9179 -72.8889 45.7669 # jumping subtree containing (T0187)G171 jump= -0.925787 0.304216 0.173089 0.142865 22.0915 -64.2216 -14.8147 # jumping subtree containing (T0187)Y220 jump= 0.998076 -0.0254463 -0.0553382 -0.0116131 -3.16185 -13.5188 -17.4164 # jumping subtree containing (T0187)N114 jump= 0.274796 -0.059445 0.957233 0.0682496 -241.206 -5.89296 -59.2042 # jumping subtree containing (T0187)A180 jump= 0.599598 -0.595528 0.279474 0.455766 -195.854 -146.508 -199.294 # jumping subtree containing (T0187)A180 jump= -0.653849 0.416156 -0.560974 0.290867 -124.132 -208.997 -200.546 # generation 199: best score out of 40: T0187.try1-al4 69.2386 cost/residue, 303 clashes 0.0614652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 528 ## CrossAndInsert 108 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 4272 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E211 jump= 0.166672 0.596132 0.549451 0.561205 -69.6903 -106.56 183.073 # jumping subtree containing (T0187)L191 jump= -0.283781 -0.142534 -0.550454 -0.77211 -242.434 -135.387 150.753 # jumping subtree containing (T0187)T236 jump= -0.696928 -0.530332 0.482735 0.00258152 -130.272 -147.436 231.829 # jumping subtree containing (T0187)E211 jump= -0.969771 -0.23174 0.0741388 0.0185471 -20.3242 -15.4231 96.8755 # jumping subtree containing (T0187)A180 jump= 0.366362 -0.41099 0.518919 0.653903 -325.854 -177.9 -41.4157 # jumping subtree containing (T0187)E156 jump= -0.618096 0.523057 0.535704 0.23956 66.4963 -88.8089 60.8368 # jumping subtree containing (T0187)E211 jump= 0.481427 -0.114116 -0.822427 -0.280749 -94.6539 -14.0139 153.692 # jumping subtree containing (T0187)T236 jump= 0.929474 -0.365128 0.0350052 0.0391737 -0.633528 -57.0619 -121.388 # jumping subtree containing (T0187)G125 jump= 0.448174 0.263813 0.527958 -0.671419 -52.2375 -159.133 -183.194 # jumping subtree containing (T0187)E211 jump= 0.316825 0.943297 -0.0808608 0.0572248 -36.141 -298.257 115.086 # jumping subtree containing (T0187)Q142 jump= 0.542352 -0.764545 0.0385522 0.346177 -122.617 -170.474 -208.163 # jumping subtree containing (T0187)E211 jump= -0.44403 -0.867478 0.0626677 -0.215388 -70.7031 -213.141 188.023 # generation 200: best score out of 40: T0187.try1-al4 69.2386 cost/residue, 303 clashes 0.0614652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 178 ## TwoFragment 24 ## CrossOver 534 ## CrossAndInsert 108 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 126 ## OptSubtree 4290 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_693730545.pdb -s /projects/compbio/tmp/to_scwrl_693730545.seq -o /projects/compbio/tmp/from_scwrl_693730545.pdb -a /projects/compbio/tmp/from_scwrl_693730545_a.pdb -b /projects/compbio/tmp/from_scwrl_693730545_b.pdb > /projects/compbio/tmp/scwrl_693730545.log # T0187.try1-al4-scwrl 68.5662 cost/residue 213 clashes 0.0614654 breaks # filling super_pool to have at least 40 conformations # best score in super_pool out of 40: T0187.try1-al4-scwrl at pool[3] 68.5662 cost/residue, 213 clashes 0.0614654 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 moved up 3 to before 54 # generation 1: best score out of 40: T0187.try1-al4-scwrl 68.5662 cost/residue, 213 clashes 0.0614654 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 8 ## InsertFragment 4 ## TwoFragment 7 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 51 # Removing break before 40 # Removing break moved up 3 to before 72 # generation 2: best score out of 40: T0187.try1-al4-scwrl 68.5662 cost/residue, 213 clashes 0.0614654 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 9 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # generation 3: best score out of 40: T0187.try1-al4-scwrl 68.4817 cost/residue, 203 clashes 0.0614654 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 21 ## TwoFragment 11 ## CrossOver 1 ## CrossAndInsert 8 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 2 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 80 # Removing break moved up 3 to before 143 # generation 4: best score out of 40: T0187.try1-al4-scwrl 68.4817 cost/residue, 203 clashes 0.0614654 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 27 ## TwoFragment 11 ## CrossOver 1 ## CrossAndInsert 13 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 3 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # Removing break moved up 3 to before 72 # Removing break moved up 3 to before 54 # generation 5: best score out of 40: T0187.try1-al4-scwrl 68.4577 cost/residue, 195 clashes 0.0614654 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 33 ## TwoFragment 12 ## CrossOver 1 ## CrossAndInsert 13 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 4 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 80 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 72 # Removing break moved up 3 to before 54 # generation 6: best score out of 40: T0187.try1-al4-scwrl 68.4577 cost/residue, 195 clashes 0.0614654 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 38 ## TwoFragment 12 ## CrossOver 2 ## CrossAndInsert 14 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 21 ## JiggleSubtree 7 ## OptSubtree 18 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 72 # Removing break moved up 3 to before 54 # Removing break before 40 # jumping subtree containing (T0187)G123 jump= -0.488163 0.238321 -0.339789 -0.767752 -19.9752 -4.2551 -3.30399 # jumping subtree containing (T0187)T116 jump= 0.982103 -0.108464 0.137634 -0.0690396 -15.0875 6.10397 -9.93207 # generation 7: best score out of 40: T0187.try1-al4-scwrl 68.4312 cost/residue, 196 clashes 0.0614654 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 40 ## TwoFragment 12 ## CrossOver 4 ## CrossAndInsert 15 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 13 ## OptSubtree 27 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 72 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break before 40 # jumping subtree containing (T0187)E156 jump= 0.630102 -0.451219 -0.445849 0.447875 -0.428853 -8.35376 -23.4354 # Removing break moved up 3 to before 54 # Removing break before 40 # Removing break moved up 3 to before 54 # generation 8: best score out of 40: T0187.try1-al4-scwrl 68.4312 cost/residue, 196 clashes 0.0614654 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 41 ## TwoFragment 12 ## CrossOver 6 ## CrossAndInsert 17 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 20 ## OptSubtree 36 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # Removing break before 80 # Removing break moved up 3 to before 72 # Removing break moved up 3 to before 72 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T236 jump= 0.519197 -0.289825 0.799734 0.0828366 -13.9106 -3.34941 16.3795 # Removing break before 40 # Removing break moved up 3 to before 54 # generation 9: best score out of 40: T0187.try1-al4-scwrl 68.4312 cost/residue, 196 clashes 0.0614654 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 42 ## TwoFragment 12 ## CrossOver 8 ## CrossAndInsert 17 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 30 ## OptSubtree 47 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # Removing break before 80 # jumping subtree containing (T0187)T236 jump= 0.8031 0.397025 0.416572 0.154495 -22.0197 -0.980968 37.4318 # Removing break before 40 # Removing break moved up 3 to before 72 # Removing break before 40 # Removing break moved up 3 to before 54 # Removing break before 40 # Removing break moved up 3 to before 54 # generation 10: best score out of 40: T0187.try1-al4-scwrl 68.4311 cost/residue, 196 clashes 0.0614654 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 42 ## TwoFragment 12 ## CrossOver 8 ## CrossAndInsert 17 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 39 ## OptSubtree 62 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break before 40 # Removing break before 80 # Removing break before 40 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)T236 jump= 0.877336 -0.283882 -0.193131 0.335251 -13.6169 -19.7437 -16.658 # jumping subtree containing (T0187)E226 jump= -0.483631 -0.669068 0.545216 -0.145563 21.5483 18.8712 -0.501699 # Removing break moved up 3 to before 54 # generation 11: best score out of 40: T0187.try1-al4-scwrl 68.3552 cost/residue, 197 clashes 0.0577748 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 43 ## TwoFragment 12 ## CrossOver 8 ## CrossAndInsert 18 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 51 ## OptSubtree 72 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)T236 jump= 0.709273 -0.42962 0.545747 -0.120498 19.2363 -3.76948 -7.10682 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 72 # Removing break before 40 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)T236 jump= 0.503238 -0.589964 -0.0140995 -0.631265 5.94286 -36.4869 -13.8796 # Removing break moved up 3 to before 72 # generation 12: best score out of 40: T0187.try1-al4-scwrl 68.3528 cost/residue, 198 clashes 0.0577748 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 43 ## TwoFragment 12 ## CrossOver 9 ## CrossAndInsert 19 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 56 ## OptSubtree 89 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= -0.999735 -0.00314651 -0.0203641 0.0102321 6.36536 12.3125 18.4256 # Removing break moved up 3 to before 54 # Removing break before 40 # Removing break moved up 3 to before 54 # Removing break before 40 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)W204 jump= 0.089896 0.0605231 -0.0701 0.991636 36.6524 5.64912 -14.5087 # Removing break moved up 3 to before 72 # Removing break moved up 3 to before 72 # Removing break before 40 # jumping subtree containing (T0187)P91 jump= 0.613871 0.787085 -0.0493539 0.0349754 6.94187 -4.35049 -38.7064 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)T236 jump= 0.427842 -0.765603 -0.011781 0.480276 -0.0873947 -22.1703 -4.84979 # generation 13: best score out of 40: T0187.try1-al4-scwrl 68.3528 cost/residue, 198 clashes 0.0577748 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 44 ## TwoFragment 12 ## CrossOver 9 ## CrossAndInsert 19 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 72 ## OptSubtree 101 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G171 jump= 0.730983 0.0414767 0.559215 -0.388874 -52.7332 22.5531 1.63916 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G171 jump= 0.308884 -0.456009 0.465194 -0.692994 35.2146 -34.8963 -12.8815 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)T116 jump= 0.730945 0.0283193 -0.578557 -0.360817 -24.9244 3.51784 1.59704 # jumping subtree containing (T0187)G171 jump= -0.0439201 -0.332881 0.352183 -0.873629 59.6964 7.24846 -4.06161 # jumping subtree containing (T0187)G171 jump= -0.799904 -0.187606 0.0152124 0.569848 -21.2114 -25.0256 -13.8713 # Removing break before 40 # generation 14: best score out of 40: T0187.try1-al4-scwrl 68.345 cost/residue, 198 clashes 0.0549244 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 45 ## TwoFragment 12 ## CrossOver 11 ## CrossAndInsert 19 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 78 ## OptSubtree 122 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # Removing break before 40 # jumping subtree containing (T0187)T236 jump= 0.99403 -0.0492968 0.0958802 -0.0167587 13.9352 2.69818 -20.362 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)P91 jump= -0.655138 0.15582 0.583679 0.453689 -77.7038 -19.517 15.4532 # Removing break before 80 # Removing break moved up 3 to before 54 # generation 15: best score out of 40: T0187.try1-al4-scwrl 68.3354 cost/residue, 196 clashes 0.0577748 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 11 ## CrossAndInsert 19 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 88 ## OptSubtree 135 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= 0.999337 -0.0290445 0.00585111 0.0211634 7.11164 1.62102 -24.7903 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T116 jump= -0.768836 -0.111791 0.218007 0.590649 -14.0833 34.9997 2.19828 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)T236 jump= -0.933518 0.223294 -0.274167 0.0593028 -19.8653 -12.709 -39.2262 # Removing break before 80 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T100 jump= -0.99999 0.00374616 0.00168814 -0.00158801 10.482 8.01726 13.0988 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break before 40 # jumping subtree containing (T0187)Q142 jump= -0.967203 -0.204827 -0.133663 0.0685391 -10.9053 24.7239 -13.9507 # jumping subtree containing (T0187)T236 jump= -0.877168 -0.401657 -0.144787 -0.219737 -20.4833 -23.6395 51.9068 # jumping subtree containing (T0187)E235 jump= -0.945469 0.27523 0.174152 0.00296209 -9.75266 25.3459 17.2762 # generation 16: best score out of 40: T0187.try1-al4-scwrl 68.3353 cost/residue, 196 clashes 0.0577747 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 11 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 101 ## OptSubtree 150 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)L131 jump= -0.82778 -0.0694362 0.522846 -0.191287 19.433 2.00749 13.5757 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G171 jump= -0.166278 0.34414 0.814055 0.437302 -95.1766 35.4107 46.7059 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)A180 jump= 0.160323 0.833323 0.527284 -0.0429087 -18.2781 -0.330584 -9.24695 # generation 17: best score out of 40: T0187.try1-al4-scwrl 68.3353 cost/residue, 196 clashes 0.0577747 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 11 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 112 ## OptSubtree 171 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T116 jump= -0.332078 -0.818537 -0.0765832 -0.462445 -13.2641 -29.3777 56.9493 # jumping subtree containing (T0187)E226 jump= -0.724575 -0.182279 -0.0608359 -0.661864 -43.6303 36.2139 26.6132 # jumping subtree containing (T0187)G171 jump= -0.535569 -0.43223 0.141998 0.711463 -67.7076 -52.3104 -51.2087 # Removing break moved up 3 to before 72 # Removing break before 40 # Removing break before 40 # Removing break moved up 3 to before 54 # Removing break before 40 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 72 # Removing break before 40 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # generation 18: best score out of 40: T0187.try1-al4-scwrl 68.3353 cost/residue, 196 clashes 0.0577748 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 12 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 122 ## OptSubtree 187 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)G171 jump= -0.0546956 -0.928477 -0.222732 -0.292113 21.563 52.6039 -38.9632 # jumping subtree containing (T0187)P91 jump= 0.13585 0.831769 0.0710872 -0.533527 -51.7105 52.5036 -23.9531 # Removing break moved up 3 to before 72 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T236 jump= 0.229382 0.895104 0.131311 -0.359068 8.13914 32.5997 -31.578 # Removing break before 80 # jumping subtree containing (T0187)T236 jump= 0.0547599 0.279057 0.92846 0.238938 -92.0523 7.27419 -21.9977 # jumping subtree containing (T0187)G171 jump= -0.398295 0.0552925 0.147403 0.903646 -113.899 5.12601 24.5849 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)P237 jump= 0.802583 -0.589216 0.0581849 0.0727978 8.16638 -30.1062 -11.5111 # generation 19: best score out of 40: T0187.try1-al4-scwrl 68.3353 cost/residue, 196 clashes 0.0577749 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 12 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 128 ## OptSubtree 205 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)G171 jump= 0.190327 -0.412372 -0.211559 0.865429 -64.7897 84.0087 -17.1046 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break before 40 # generation 20: best score out of 40: T0187.try1-al4-scwrl 68.3352 cost/residue, 196 clashes 0.0577748 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 14 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 131 ## OptSubtree 224 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 72 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T236 jump= 0.113768 0.93679 0.200744 -0.263027 7.65063 54.4534 54.3586 # jumping subtree containing (T0187)T236 jump= -0.717351 -0.288391 -0.375028 0.511461 -38.0676 -10.7924 -4.50044 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)P237 jump= -0.999832 -0.0168963 -0.00678722 0.00212025 -9.12858 -7.05213 -2.04016 # jumping subtree containing (T0187)Q142 jump= 0.346494 0.352184 0.453062 0.742054 -135.87 78.797 19.6548 # jumping subtree containing (T0187)P237 jump= -0.126885 0.539731 -0.644284 0.526773 -121.287 -41.4295 40.9857 # generation 21: best score out of 40: T0187.try1-al4-scwrl 68.3352 cost/residue, 196 clashes 0.0577748 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 15 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 135 ## OptSubtree 243 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)T236 jump= 0.373286 -0.194609 0.238023 0.875288 -116.633 43.0532 -41.9473 # Removing break before 40 # jumping subtree containing (T0187)G171 jump= 0.954136 -0.248831 0.166001 -0.0122622 -2.65168 -31.433 -24.7779 # jumping subtree containing (T0187)L131 jump= 0.565686 0.218073 -0.156523 -0.779707 -106.248 -39.5983 -12.0409 # jumping subtree containing (T0187)P237 jump= -0.941845 -0.0668418 -0.239873 -0.225658 -13.9237 35.2649 -50.8532 # Removing break moved up 3 to before 54 # Removing break before 40 # generation 22: best score out of 40: T0187.try1-al4-scwrl 68.3352 cost/residue, 196 clashes 0.0577747 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 16 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 137 ## OptSubtree 264 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= -0.585746 0.166145 0.791271 0.0564596 -89.6039 5.25395 102.19 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)Y220 jump= -0.397343 0.512432 0.753317 0.109748 -103.529 75.6684 99.4788 # jumping subtree containing (T0187)E218 jump= -0.761024 0.553148 -0.161748 0.297839 -4.75534 -65.1817 17.9527 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)P91 jump= 0.981585 -0.0772434 0.169709 0.0415019 6.07644 -6.21225 -29.22 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)W204 jump= 0.442859 -0.590615 -0.559666 -0.376595 -62.5463 -13.0195 79.4358 # generation 23: best score out of 40: T0187.try1-al4-scwrl 68.3351 cost/residue, 196 clashes 0.0577745 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 17 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 144 ## OptSubtree 280 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L191 jump= -0.413927 -0.451262 0.759761 -0.218612 -43.8886 -19.2862 96.2294 # jumping subtree containing (T0187)G171 jump= -0.990346 0.0688025 0.105356 -0.0581436 2.83196 28.5176 -1.40233 # jumping subtree containing (T0187)G171 jump= -0.240955 0.174238 0.777741 -0.553806 -128.575 76.8138 44.8448 # jumping subtree containing (T0187)P237 jump= -0.793468 0.513733 0.0640138 0.319984 -29.2697 -2.38163 59.1936 # Removing break before 40 # Removing break before 40 # Removing break before 40 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)L131 jump= 0.679025 -0.268793 -0.371434 -0.573334 -48.9781 -16.1105 53.3397 # jumping subtree containing (T0187)W204 jump= -0.754374 -0.614146 0.153416 0.173801 -3.78696 30.1396 -29.3816 # Removing break before 40 # jumping subtree containing (T0187)G171 jump= 0.832619 -0.260207 0.143332 0.467433 -31.2188 60.881 -32.3194 # jumping subtree containing (T0187)G171 jump= 0.93676 -0.247559 -0.117062 -0.217928 -25.3924 -26.6267 27.4757 # generation 24: best score out of 40: T0187.try1-al4-scwrl 68.3351 cost/residue, 196 clashes 0.0577745 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 20 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 150 ## OptSubtree 293 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Y220 jump= 0.982271 0.119132 0.0468373 0.136956 -2.86761 32.8704 -4.0735 # jumping subtree containing (T0187)G171 jump= 0.095246 0.245012 0.786765 -0.558479 -186.487 60.5324 3.444 # Removing break before 40 # Removing break moved up 3 to before 54 # Removing break before 80 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)Q142 jump= 0.0696299 0.87254 -0.390223 0.285572 -8.58024 10.2393 43.0378 # Removing break moved up 3 to before 54 # Removing break before 40 # Removing break moved up 3 to before 54 # generation 25: best score out of 40: T0187.try1-al4-scwrl 68.3351 cost/residue, 196 clashes 0.0577745 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 23 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 152 ## OptSubtree 312 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)P237 jump= 0.0664184 -0.262985 0.961362 0.0470191 -94.7755 -20.7137 16.4474 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T116 jump= 0.757401 0.510578 0.245599 0.324554 -34.2761 47.2652 -15.7257 # jumping subtree containing (T0187)V228 jump= -0.423261 -0.0622089 0.903237 -0.0338188 -112.152 4.76174 79.8861 # jumping subtree containing (T0187)A180 jump= 0.564898 -0.393655 -0.271785 -0.672353 -93.0834 -57.7402 64.483 # jumping subtree containing (T0187)T116 jump= -0.99037 0.0689998 -0.119263 -0.0135228 -26.1435 -10.8755 -30.8756 # jumping subtree containing (T0187)T160 jump= 0.956816 -0.233663 0.0227183 -0.171429 -19.9274 -15.8448 43.6073 # Removing break before 40 # generation 26: best score out of 40: T0187.try1-al4-scwrl 68.3261 cost/residue, 196 clashes 0.0549242 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 49 ## TwoFragment 12 ## CrossOver 25 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 155 ## OptSubtree 330 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= 0.564029 -0.203199 0.481865 -0.639052 -136.921 -41.5227 10.219 # Removing break before 40 # jumping subtree containing (T0187)E226 jump= 0.93741 -0.1078 -0.262678 0.2016 -26.4557 28.6109 22.0616 # jumping subtree containing (T0187)G171 jump= 0.848918 0.227922 -0.395523 0.266368 -31.4903 17.4004 76.1193 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G171 jump= -0.345899 0.0341865 -0.869436 0.351094 -134.853 -29.1059 -17.5866 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)N114 jump= -0.0813207 0.0937781 0.953085 -0.276081 -158.938 29.7741 37.368 # generation 27: best score out of 40: T0187.try1-al4-scwrl 68.3261 cost/residue, 196 clashes 0.0549242 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 49 ## TwoFragment 12 ## CrossOver 26 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 160 ## OptSubtree 348 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q110 jump= -0.620916 0.632513 0.120705 -0.447013 -18.4762 72.2106 5.06426 # Removing break before 80 # jumping subtree containing (T0187)E226 jump= -0.282429 -0.764535 0.355355 0.457649 -14.6892 18.8821 -33.4567 # jumping subtree containing (T0187)D109 jump= 0.969264 0.238941 -0.0574025 0.0118275 29.9112 3.48776 2.52934 # jumping subtree containing (T0187)Q142 jump= 0.834705 0.51524 -0.166052 0.101107 -11.265 -2.58652 33.4645 # jumping subtree containing (T0187)E226 jump= -0.788502 0.167943 0.581759 -0.107778 -40.7178 14.6815 103.034 # jumping subtree containing (T0187)E226 jump= -0.617468 -0.0545477 -0.753549 -0.218911 -118.167 28.2735 -66.6989 # jumping subtree containing (T0187)E226 jump= 0.703439 0.66528 -0.139944 0.207342 -7.33936 73.2522 2.11045 # jumping subtree containing (T0187)V228 jump= -0.0103015 0.580797 -0.0628071 -0.811556 -68.6571 56.4416 -46.2072 # Removing break before 40 # Removing break moved up 3 to before 72 # Removing break before 40 # Removing break before 40 # jumping subtree containing (T0187)A180 jump= 0.627185 0.455697 0.595216 -0.211418 -62.0538 27.5606 -18.6326 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G171 jump= 0.922506 0.102873 0.196959 0.315605 -3.93873 69.1815 -50.7049 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # generation 28: best score out of 40: T0187.try1-al4-scwrl 68.3078 cost/residue, 204 clashes 0.0577744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 27 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 172 ## OptSubtree 366 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.987197 0.0415752 0.152223 0.0232779 0.467195 8.97822 31.2316 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)P91 jump= 0.093401 -0.214483 0.945139 -0.228001 -106.621 -35.4622 32.7459 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)T160 jump= -0.114721 -0.874743 -0.405755 -0.238801 -45.0599 92.888 -4.5672 # Removing break before 40 # generation 29: best score out of 40: T0187.try1-al4-scwrl 68.3078 cost/residue, 204 clashes 0.0577744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 27 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 175 ## OptSubtree 387 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T116 jump= 0.805451 -0.519865 0.283601 -0.0236659 -20.6371 -31.8919 1.7023 # jumping subtree containing (T0187)T116 jump= -0.915394 -0.214597 0.180298 -0.288955 -23.0321 44.332 45.934 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= 0.793726 0.386573 0.116215 -0.455031 -58.4291 -15.4304 -78.0886 # jumping subtree containing (T0187)Q142 jump= -0.411268 -0.81769 -0.105327 0.388777 -16.4373 9.11797 -78.4188 # jumping subtree containing (T0187)E235 jump= -0.118948 0.209551 0.81525 0.526599 -118.458 14.3492 17.2329 # jumping subtree containing (T0187)V228 jump= -0.555754 -0.0137629 -0.684353 -0.471814 -38.5321 40.4409 -78.6318 # Removing break before 40 # jumping subtree containing (T0187)P91 jump= -0.104247 -0.147151 -0.745898 0.641183 -198.28 65.7983 41.3692 # Removing break before 40 # Removing break before 40 # generation 30: best score out of 40: T0187.try1-al4-scwrl 68.3078 cost/residue, 204 clashes 0.0577744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 28 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 183 ## OptSubtree 412 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E226 jump= 0.687461 -0.585835 0.136404 0.406926 -7.90319 57.9466 -1.75781 # jumping subtree containing (T0187)E226 jump= 0.999864 0.00661365 0.0120535 0.00913123 12.4095 7.11761 12.6925 # jumping subtree containing (T0187)L131 jump= -0.430535 0.446134 -0.289953 -0.729062 -68.4728 91.0368 -106.881 # Removing break before 40 # jumping subtree containing (T0187)E218 jump= 0.414872 0.51122 0.746175 -0.0987856 -122.437 57.9372 -88.1377 # Removing break moved up 3 to before 54 # Removing break before 40 # jumping subtree containing (T0187)Q110 jump= -0.334601 0.051262 -0.500636 0.79673 -149.093 19.3691 19.9942 # jumping subtree containing (T0187)E226 jump= -0.613598 -0.158487 -0.526074 -0.56712 -37.0658 98.9865 -52.3144 # Removing break before 40 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T116 jump= 0.999116 0.0291406 0.0177405 -0.024556 -4.43491 -21.1861 -3.1669 # generation 31: best score out of 40: T0187.try1-al4-scwrl 68.3078 cost/residue, 204 clashes 0.0577744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 30 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 186 ## OptSubtree 431 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)G171 jump= 0.988241 0.0447905 -0.0757571 0.125041 13.8988 13.9464 -6.02621 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)Q142 jump= 0.700186 -0.460039 0.33902 0.427981 -28.5909 56.1785 -77.1427 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 72 # Removing break before 40 # jumping subtree containing (T0187)E226 jump= 0.437202 -0.407035 -0.801693 0.0215743 -93.5708 64.7358 37.5029 # jumping subtree containing (T0187)T116 jump= 0.680269 0.241569 -0.652031 -0.231804 -99.8126 -29.2008 55.1126 # jumping subtree containing (T0187)W204 jump= -0.779517 0.0302869 -0.624701 0.0344117 -47.8813 -18.5823 -66.2475 # generation 32: best score out of 40: T0187.try1-al4-scwrl 68.3078 cost/residue, 204 clashes 0.0577744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 33 ## CrossAndInsert 21 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 187 ## OptSubtree 450 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= 0.786535 0.505368 0.341352 0.0971781 -7.83233 34.0818 -53.5572 # Removing break before 40 # jumping subtree containing (T0187)P91 jump= 0.685157 -0.706701 0.160815 -0.0726171 17.944 -6.51137 45.246 # jumping subtree containing (T0187)T236 jump= 0.288816 0.873454 -0.262646 0.291 -31.4466 31.9771 37.8291 # jumping subtree containing (T0187)T236 jump= 0.921386 -0.304726 0.224703 -0.0877426 8.549 -24.8796 8.51126 # jumping subtree containing (T0187)W204 jump= 0.95201 -0.0717368 0.265084 0.135134 -1.26597 -11.1377 -23.5358 # jumping subtree containing (T0187)G171 jump= 0.652312 -0.609925 0.447051 0.05124 -14.621 2.22724 5.03601 # jumping subtree containing (T0187)W204 jump= -0.885391 0.0515331 0.299552 0.351703 -47.1258 -51.2451 48.7006 # jumping subtree containing (T0187)E226 jump= 0.591531 -0.692731 -0.363225 0.195657 -29.701 70.352 49.0536 # jumping subtree containing (T0187)E226 jump= -0.453352 -0.141046 0.275909 -0.835734 -65.592 99.9798 67.1357 # Removing break moved up 3 to before 54 # generation 33: best score out of 40: T0187.try1-al4-scwrl 68.3078 cost/residue, 204 clashes 0.0577744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 35 ## CrossAndInsert 21 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 188 ## OptSubtree 471 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T160 jump= 0.873324 -0.295704 -0.227148 -0.313477 -36.5865 4.83008 45.9402 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)Q142 jump= 0.14001 -0.146569 0.126523 0.971034 -149.943 94.5987 -30.7075 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)E226 jump= -0.941214 -0.332671 -0.0167316 0.056265 7.9272 9.01513 -49.6429 # jumping subtree containing (T0187)A180 jump= 0.418361 0.58377 0.652977 0.240433 -102.156 128.053 -13.4661 # jumping subtree containing (T0187)L131 jump= -0.635735 -0.166129 -0.437896 -0.613588 -50.2853 102.573 -74.8391 # jumping subtree containing (T0187)E226 jump= 0.53431 0.0691099 0.169 0.825334 -57.5588 79.5073 -15.303 # generation 34: best score out of 40: T0187.try1-al4-scwrl 68.3078 cost/residue, 204 clashes 0.0577744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 39 ## CrossAndInsert 21 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 188 ## OptSubtree 491 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.828682 -0.144937 0.528737 -0.112763 -26.1272 19.5849 49.1531 # jumping subtree containing (T0187)E226 jump= -0.590717 -0.31397 0.0217279 0.74297 -84.9165 -12.2013 -29.1937 # jumping subtree containing (T0187)W204 jump= -0.820993 -0.538405 -0.0153878 -0.189353 -6.14008 35.4389 -4.07043 # jumping subtree containing (T0187)E226 jump= -0.825153 -0.417511 0.379343 -0.0300965 -3.92399 -17.8239 6.38689 # jumping subtree containing (T0187)T236 jump= 0.962033 0.040506 0.0925149 -0.253559 -19.4986 -43.7506 -29.9064 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= 0.406783 0.657226 0.576409 -0.265207 -76.2029 90.0833 -60.9911 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T236 jump= 0.680721 0.727493 -0.0342712 0.0787317 -11.6551 43.9246 -30.6942 # jumping subtree containing (T0187)L131 jump= 0.642953 0.0285783 0.330778 0.690203 -69.1642 120.936 -63.8504 # Removing break before 40 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= -0.949672 -0.0593314 0.106598 -0.288514 4.10837 50.7851 6.20637 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)E226 jump= 0.920404 -0.384153 0.0417354 -0.0595019 -0.216481 19.2177 43.7809 # jumping subtree containing (T0187)E226 jump= -0.82535 0.434128 0.304901 -0.193304 -12.5456 51.5838 27.0353 # generation 35: best score out of 40: T0187.try1-al4-scwrl 68.2557 cost/residue, 198 clashes 0.0577744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 51 ## TwoFragment 12 ## CrossOver 45 ## CrossAndInsert 21 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 188 ## OptSubtree 508 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.410297 -0.846198 0.0862773 -0.32888 -3.62482 59.5043 55.7591 # Removing break moved up 3 to before 72 # Removing break before 40 # jumping subtree containing (T0187)E226 jump= -0.287034 0.292973 -0.859274 -0.305657 -71.2837 -17.0182 -73.4663 # jumping subtree containing (T0187)T116 jump= -0.458276 0.333164 -0.597723 0.567196 -125.814 -22.1924 25.2243 # jumping subtree containing (T0187)E226 jump= 0.497371 -0.183564 0.720442 0.44709 -56.5798 12.2289 -82.275 # jumping subtree containing (T0187)G171 jump= -0.979281 -0.117414 0.0198727 0.163793 -9.01924 -14.2272 -6.65356 # jumping subtree containing (T0187)T116 jump= -0.874839 0.0738198 0.240521 0.413952 -74.9697 -67.4047 47.4028 # jumping subtree containing (T0187)G171 jump= -0.997593 -0.0255693 0.0599446 -0.0237039 7.72554 11.7807 34.8185 # jumping subtree containing (T0187)Y220 jump= -0.883025 0.33373 -0.30418 0.127929 -29.5138 -32.7061 -24.3378 # jumping subtree containing (T0187)E226 jump= -0.706291 0.370494 -0.225501 -0.559497 -3.98504 88.4472 -11.7734 # jumping subtree containing (T0187)E156 jump= -0.885901 0.14711 0.251287 0.3611 -28.2393 -29.5741 45.4546 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 72 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)Y220 jump= -0.43539 -0.482409 0.403155 0.644347 -98.2228 -38.6684 -61.0329 # Removing break moved up 3 to before 54 # generation 36: best score out of 40: T0187.try1-al4-scwrl 68.2557 cost/residue, 198 clashes 0.0577744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 51 ## TwoFragment 12 ## CrossOver 46 ## CrossAndInsert 21 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 191 ## OptSubtree 528 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing (T0187)S137 jump= -0.162531 -0.965373 -0.133546 -0.154287 -13.9588 92.3203 38.6916 # jumping subtree containing (T0187)Y220 jump= -0.126527 -0.42782 -0.883683 -0.141655 -142.493 75.1615 -37.6978 # jumping subtree containing (T0187)G171 jump= -0.428307 -0.726087 -0.426328 -0.328017 -68.745 135.915 -11.5785 # generation 37: best score out of 40: T0187.try1-al4-scwrl 68.2557 cost/residue, 198 clashes 0.0577744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 51 ## TwoFragment 12 ## CrossOver 49 ## CrossAndInsert 21 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 200 ## OptSubtree 550 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing (T0187)L131 jump= 0.279873 -0.37154 0.0306937 -0.884696 -149.845 53.3148 80.5605 # jumping subtree containing (T0187)L131 jump= 0.845052 -0.338727 0.188224 -0.368405 -45.1182 -54.3316 36.5142 # jumping subtree containing (T0187)E226 jump= 0.986242 -0.0956018 -0.00802393 -0.13462 -10.1846 -24.0083 31.9189 # jumping subtree containing (T0187)Y220 jump= -0.123611 -0.342328 0.871119 0.329673 -116.821 -6.97407 -46.6424 # jumping subtree containing (T0187)D109 jump= -0.138462 -0.358021 -0.385108 -0.83925 -140.789 90.2023 15.4142 # jumping subtree containing (T0187)D115 jump= -0.953811 0.135193 0.017466 0.267697 -26.5049 -53.5388 29.9988 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)A180 jump= -0.644402 -0.269893 -0.692453 -0.180035 -101.896 81.635 -84.299 # jumping subtree containing (T0187)E226 jump= 0.344816 0.142642 0.385479 -0.843897 -123.943 15.8051 -28.553 # jumping subtree containing (T0187)T236 jump= 0.221482 0.456955 -0.849966 -0.140341 -52.0271 -49.5589 14.5324 # jumping subtree containing (T0187)G171 jump= 0.83705 0.0374139 0.541324 0.0701167 -52.2327 12.278 -48.65 # jumping subtree containing (T0187)D94 jump= -0.917795 -0.335587 0.1147 0.178542 -6.99065 -9.81623 -16.039 # Removing break before 40 # jumping subtree containing (T0187)E226 jump= 0.972126 -0.0958744 -0.0139738 -0.213506 -41.7621 -20.1307 17.2245 # jumping subtree containing (T0187)Y220 jump= 0.843387 0.0650406 -0.475902 -0.240802 -68.729 -8.16998 49.6627 # generation 38: best score out of 40: T0187.try1-al4-scwrl 68.2198 cost/residue, 214 clashes 0.0616874 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 51 ## TwoFragment 12 ## CrossOver 51 ## CrossAndInsert 21 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 200 ## OptSubtree 571 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 80 # jumping subtree containing (T0187)L131 jump= 0.386521 -0.388618 -0.569907 0.612196 -110.402 102.04 54.2936 # jumping subtree containing (T0187)A203 jump= -0.150514 0.559924 -0.138404 -0.802916 -65.4412 41.9678 -61.0277 # Removing break before 40 # jumping subtree containing (T0187)G171 jump= -0.342221 -0.279163 0.897104 0.0125393 -85.6449 -14.2221 59.8154 # jumping subtree containing (T0187)L131 jump= -0.77639 -0.306915 -0.0117004 0.55035 -76.5994 -47.1419 -46.2869 # jumping subtree containing (T0187)P205 jump= 0.077393 0.838834 -0.456603 -0.286148 -35.9483 -22.6827 -6.29736 # jumping subtree containing (T0187)K215 jump= -0.449967 0.690852 -0.200882 0.529055 -21.8529 1.13017 64.7708 # jumping subtree containing (T0187)Q142 jump= -0.271481 0.703565 0.11904 0.645851 -90.7074 34.4486 91.1879 # jumping subtree containing (T0187)T236 jump= -0.698262 0.353373 0.341806 -0.520314 -51.6957 75.7637 39.5644 # jumping subtree containing (T0187)T116 jump= -0.397769 -0.538595 0.262322 -0.694898 -68.855 73.2066 79.6266 # Removing break before 40 # jumping subtree containing (T0187)Y220 jump= -0.298773 -0.171048 -0.0391976 -0.938052 -87.4699 98.9414 31.0621 # Removing break moved up 3 to before 54 # generation 39: best score out of 40: T0187.try1-al4-scwrl 68.2198 cost/residue, 214 clashes 0.0616874 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 51 ## TwoFragment 12 ## CrossOver 52 ## CrossAndInsert 21 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 207 ## OptSubtree 592 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= -0.926543 -0.301938 -0.0874017 0.206671 -29.0422 -19.4211 -62.5576 # Removing break moved up 3 to before 72 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= 0.501928 -0.758513 0.403194 -0.100801 3.18218 -10.8515 12.5733 # jumping subtree containing (T0187)S225 jump= -0.98182 -0.01508 -0.12783 0.139503 -6.14454 11.4118 -24.1365 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)T236 jump= -0.546107 0.42603 -0.708203 -0.136799 -30.1981 -39.5528 -31.2233 # jumping subtree containing (T0187)E226 jump= -0.84104 -0.049747 0.352756 0.407112 -70.7114 -19.4556 26.0639 # jumping subtree containing (T0187)G171 jump= 0.995255 -0.0628157 -0.0440473 -0.0598399 8.41026 -31.7445 11.6558 # jumping subtree containing (T0187)E226 jump= -0.999974 -0.00174369 -0.00483745 -0.00500591 4.48616 -20.1115 -18.8088 # jumping subtree containing (T0187)P91 jump= 0.808215 -0.499072 0.137207 0.280873 4.84575 71.6683 -2.46092 # Removing break moved up 3 to before 54 # generation 40: best score out of 40: T0187.try1-al4-scwrl 68.2157 cost/residue, 199 clashes 0.0577747 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 52 ## CrossAndInsert 21 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 216 ## OptSubtree 616 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= 0.304915 -0.0145971 -0.635267 0.709401 -134.026 76.8143 63.4941 # jumping subtree containing (T0187)Y220 jump= 0.672712 -0.588122 0.448758 -0.0136489 5.79175 23.122 -10.3078 # jumping subtree containing (T0187)L131 jump= 0.943238 0.0579679 -0.247164 0.214131 23.9275 46.8549 39.3005 # jumping subtree containing (T0187)A180 jump= -0.242468 -0.779308 0.434577 0.38083 -2.90653 -25.4365 -37.027 # Removing break before 40 # jumping subtree containing (T0187)V228 jump= 0.762278 0.328237 -0.177405 -0.528886 -84.0895 -27.61 -35.3824 # jumping subtree containing (T0187)L131 jump= 0.890593 0.0978712 0.26019 0.359953 -6.63745 73.8468 -64.6834 # jumping subtree containing (T0187)E226 jump= 0.519585 0.147017 0.268322 0.797759 -64.1389 112.048 0.319498 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)W204 jump= 0.942944 -0.234723 0.0475753 0.231296 -9.94064 26.9298 -3.83337 # generation 41: best score out of 40: T0187.try1-al4-scwrl 68.2155 cost/residue, 199 clashes 0.0577745 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 53 ## CrossAndInsert 21 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 222 ## OptSubtree 635 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Y220 jump= 0.487608 0.591133 0.62432 -0.151736 -106.048 56.2291 -82.4304 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= 0.00205746 0.74132 0.0706924 0.667415 -41.4409 53.8581 50.8227 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)D94 jump= 0.742915 -0.511791 0.232213 0.363627 23.7516 27.7674 -11.1508 # jumping subtree containing (T0187)E226 jump= -0.701043 -0.040609 -0.626978 0.337326 -83.8116 -10.5162 -16.4991 # jumping subtree containing (T0187)L131 jump= 0.835386 -0.40288 0.250794 0.277347 0.164698 35.4924 -48.5716 # jumping subtree containing (T0187)E226 jump= -0.302109 0.298941 -0.735979 -0.526972 -85.884 28.0676 -89.375 # jumping subtree containing (T0187)N159 jump= -0.859496 0.0622211 -0.136003 0.488773 -75.0964 -45.598 -32.7403 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E226 jump= -0.362383 -0.440924 0.401363 0.716361 -80.3654 27.907 -52.5343 # jumping subtree containing (T0187)A180 jump= -0.289496 -0.127097 -0.907709 -0.275869 -162.777 35.0819 -62.8039 # jumping subtree containing (T0187)G171 jump= -0.183391 -0.283212 0.835478 -0.433746 -106.72 2.48151 74.0303 # jumping subtree containing (T0187)E226 jump= -0.912059 -0.264069 0.24002 0.202005 -18.685 -41.5627 -2.16425 # jumping subtree containing (T0187)E226 jump= 0.881179 -0.364593 0.134077 -0.269479 -37.8418 -22.7541 49.241 # generation 42: best score out of 40: T0187.try1-al4-scwrl 68.2067 cost/residue, 199 clashes 0.0577747 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 54 ## CrossAndInsert 21 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 234 ## OptSubtree 657 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)Q110 jump= 0.960093 0.151129 -0.222765 0.0758828 11.6824 -15.555 16.7586 # jumping subtree containing (T0187)L107 jump= 0.847585 0.237632 -0.43633 0.186405 -11.9693 39.9923 47.6684 # jumping subtree containing (T0187)E226 jump= 0.337875 -0.203163 0.918902 0.013596 -101.169 -36.0833 -37.9094 # jumping subtree containing (T0187)T236 jump= 0.421366 -0.721391 0.548221 -0.0387207 -42.4501 -19.547 2.8685 # jumping subtree containing (T0187)D115 jump= 0.873474 0.391934 0.255819 -0.134118 -23.2323 10.6709 -90.0192 # jumping subtree containing (T0187)A180 jump= 0.0250807 0.650878 -0.758767 -0.000906327 -86.9118 -48.099 8.39264 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)Q110 jump= -0.257599 -0.848471 -0.387505 -0.252151 -11.2569 130.754 -58.8848 # jumping subtree containing (T0187)D115 jump= -0.814527 0.52609 -0.220158 -0.106327 33.0844 43.7745 -33.69 # generation 43: best score out of 40: T0187.try1-al4-scwrl 68.2066 cost/residue, 199 clashes 0.0577745 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 56 ## CrossAndInsert 21 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 238 ## OptSubtree 681 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)W204 jump= -0.279435 -0.468065 0.834445 0.0808238 -63.4063 -49.4541 9.91627 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)V117 jump= -0.645177 0.125466 0.271826 0.702934 -129.798 -19.267 51.0005 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T236 jump= 0.543561 0.65078 -0.43628 0.301142 -7.17611 17.5586 36.7562 # jumping subtree containing (T0187)E156 jump= 0.558333 -0.717778 -0.196401 0.366722 -31.9782 101.936 15.7001 # jumping subtree containing (T0187)V108 jump= -0.877813 0.141226 -0.119421 0.441858 -73.4474 -23.2145 21.2053 # jumping subtree containing (T0187)Q110 jump= -0.253945 -0.28989 0.295777 -0.874067 -108.52 104.412 74.2466 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)V228 jump= -0.380017 -0.215419 -0.659197 0.612079 -144.433 29.4283 -24.8598 # jumping subtree containing (T0187)E156 jump= -0.999998 0.000158992 0.00173146 -0.00043524 -10.4049 -7.09897 -23.4031 # generation 44: best score out of 40: T0187.try1-al4-scwrl 68.2063 cost/residue, 199 clashes 0.0577747 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 59 ## CrossAndInsert 21 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 245 ## OptSubtree 707 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= 0.801388 -0.0260259 -0.294647 0.519887 -35.3308 104.071 28.91 # jumping subtree containing (T0187)T236 jump= 0.0484895 -0.0558011 -0.984951 -0.156229 -166.894 -2.99702 46.3657 # Removing break before 40 # jumping subtree containing (T0187)G171 jump= 0.237039 0.362505 -0.66629 0.607009 -95.1337 41.5811 60.9892 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T236 jump= 0.188291 0.155906 0.944473 0.21957 -201.732 32.9011 11.3102 # jumping subtree containing (T0187)D115 jump= 0.92268 -0.0279253 -0.322205 0.209918 -20.4718 46.3246 63.0163 # jumping subtree containing (T0187)T236 jump= -0.719912 -0.43815 0.536823 -0.0396474 -25.8739 -16.2021 17.2108 # jumping subtree containing (T0187)T236 jump= -0.863813 -0.377145 -0.240289 0.232057 -10.0951 -7.18276 -30.897 # jumping subtree containing (T0187)T236 jump= 0.980386 0.0971911 -0.00651638 0.171333 -5.42223 41.7289 16.185 # jumping subtree containing (T0187)G171 jump= -0.233106 0.0781132 -0.58476 -0.773056 -129.019 42.6402 -55.5277 # generation 45: best score out of 40: T0187.try1-al4-scwrl 68.2063 cost/residue, 199 clashes 0.0577747 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 62 ## CrossAndInsert 21 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 246 ## OptSubtree 729 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= 0.999327 -0.00588272 0.0351069 0.00887465 5.34903 25.7589 -19.1622 # jumping subtree containing (T0187)D115 jump= -0.978534 -0.00132535 0.206076 -0.00162642 -9.64867 -15.4091 18.5728 # jumping subtree containing (T0187)L131 jump= 0.994444 -0.0345697 0.0488731 -0.0865842 -23.1229 -33.4466 1.35405 # jumping subtree containing (T0187)T236 jump= 0.826426 -0.493252 0.239984 0.127006 -12.371 8.12257 -20.7117 # Removing break before 40 # jumping subtree containing (T0187)W204 jump= -0.928147 0.240324 0.131181 -0.252149 -10.3927 21.6753 27.7444 # jumping subtree containing (T0187)W204 jump= 0.293675 0.130621 -0.933112 0.161229 -95.7061 -4.89978 69.6269 # jumping subtree containing (T0187)N159 jump= 0.644883 -0.298378 0.689558 0.14002 -65.3338 -42.1071 -69.0767 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G171 jump= 0.991816 0.0756861 0.015907 0.101588 16.3772 14.1749 18.5232 # jumping subtree containing (T0187)T236 jump= 0.695745 -0.0288664 0.142311 0.703459 -67.1862 79.9717 -14.054 # jumping subtree containing (T0187)P91 jump= 0.0212631 0.934327 0.175067 0.309729 -66.0987 121.807 76.1136 # generation 46: best score out of 40: T0187.try1-al4-scwrl 68.2063 cost/residue, 199 clashes 0.0577747 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 65 ## CrossAndInsert 21 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 248 ## OptSubtree 750 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= -0.715422 -0.194645 -0.0940214 0.664413 -132.878 14.9049 -35.4048 # Removing break before 40 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)Y220 jump= 0.255455 0.936079 -0.132378 0.202423 25.3219 94.74 43.0492 # jumping subtree containing (T0187)T236 jump= 0.619199 -0.209611 -0.338002 0.677061 -82.7658 145.178 37.3188 # jumping subtree containing (T0187)L131 jump= 0.786471 -0.483443 0.320493 -0.212207 -44.1202 -28.8564 50.337 # jumping subtree containing (T0187)V104 jump= -0.910776 0.0735756 0.193932 0.357022 -44.8474 -29.8076 41.3553 # jumping subtree containing (T0187)V108 jump= -0.930364 0.327308 -0.125234 -0.107745 23.8087 21.9094 -2.06559 # jumping subtree containing (T0187)T236 jump= -0.549372 0.512944 0.659312 0.0196584 -88.1473 59.1921 138.913 # jumping subtree containing (T0187)T236 jump= -0.822678 -0.234834 -0.169268 -0.489288 -34.82 128.096 -35.1847 # generation 47: best score out of 40: T0187.try1-al4-scwrl 68.2059 cost/residue, 199 clashes 0.0577746 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 65 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 248 ## OptSubtree 773 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T236 jump= -0.500853 0.167658 0.839735 -0.126025 -107.478 20.4677 115.554 # jumping subtree containing (T0187)W204 jump= -0.0739713 -0.702261 0.291715 -0.645182 -86.2674 71.4168 105.879 # jumping subtree containing (T0187)G171 jump= -0.370347 -0.334844 0.484148 0.718556 -111.207 5.95324 -61.9721 # jumping subtree containing (T0187)W204 jump= 0.58127 -0.324159 -0.639012 0.38563 -73.233 114.932 86.8523 # jumping subtree containing (T0187)D115 jump= -0.944676 0.0732391 -0.018549 0.319186 -62.5695 -51.5841 -12.8981 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)A180 jump= 0.80994 0.346861 -0.421985 -0.213573 -9.49282 -28.7367 -12.5732 # jumping subtree containing (T0187)Y220 jump= 0.505019 0.487213 -0.230493 -0.674131 -70.3021 19.9865 -62.555 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T236 jump= -0.436567 0.252775 0.842137 0.190575 -119.175 -6.62092 55.8236 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T236 jump= 0.392078 -0.864163 -0.214872 0.230927 -25.7555 107.876 31.8684 # generation 48: best score out of 40: T0187.try1-al4-scwrl 68.2059 cost/residue, 199 clashes 0.0577746 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 67 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 249 ## OptSubtree 795 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.150396 0.333785 0.284583 0.885992 -200.82 45.7713 79.9194 # jumping subtree containing (T0187)A180 jump= -0.549178 -0.296405 -0.717088 -0.310375 -150.261 79.7047 -99.6162 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)P91 jump= -0.809938 0.0134628 -0.358641 -0.463893 -33.7692 65.133 -54.3633 # jumping subtree containing (T0187)T160 jump= 0.524671 0.0525258 0.799254 0.288365 -131.474 40.8889 -112.339 # Removing break moved up 3 to before 54 # generation 49: best score out of 40: T0187.try1-al4-scwrl 68.2059 cost/residue, 199 clashes 0.0577746 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 69 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 253 ## OptSubtree 820 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)W204 jump= 0.299657 -0.214104 0.485145 -0.793095 -220.53 6.74625 59.129 # jumping subtree containing (T0187)T236 jump= 0.642649 -0.103696 -0.662401 0.370776 -99.6848 66.3834 115.501 # jumping subtree containing (T0187)T160 jump= 0.452925 0.0194713 -0.836134 0.308806 -144.199 47.6303 108.041 # jumping subtree containing (T0187)A180 jump= 0.395773 -0.634385 0.548121 -0.374811 -60.3872 -19.6201 106.595 # jumping subtree containing (T0187)T236 jump= -0.574283 -0.654346 0.476465 0.122518 -18.9416 4.78434 18.505 # jumping subtree containing (T0187)T236 jump= -0.634495 0.255935 -0.528716 -0.502366 -87.7141 31.5683 -75.2883 # generation 50: best score out of 40: T0187.try1-al4-scwrl 68.2059 cost/residue, 199 clashes 0.0577746 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 76 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 253 ## OptSubtree 837 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.95212 -0.0234916 -0.100185 -0.287887 37.7978 73.478 -35.1204 # jumping subtree containing (T0187)G171 jump= -0.953454 -0.18813 0.043574 0.231588 -13.6392 -6.66498 -14.9465 # jumping subtree containing (T0187)G171 jump= -0.391524 -0.681177 -0.566718 0.248067 -146.117 153.054 -74.3408 # jumping subtree containing (T0187)G171 jump= -0.303003 0.457412 -0.820155 -0.162205 -61.0704 -5.53408 -28.9134 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)E218 jump= 0.673069 -0.434563 0.593141 -0.0794855 -72.1528 -36.8866 -8.38923 # jumping subtree containing (T0187)G171 jump= 0.840085 -0.188923 -0.505797 -0.0522854 -61.6294 -7.28381 97.6191 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)W204 jump= -0.957553 0.0883606 -0.265812 -0.0680299 -2.31614 23.2355 -54.189 # jumping subtree containing (T0187)D212 jump= 0.742358 -0.122282 0.0957287 -0.651757 -131.719 -55.5924 37.601 # jumping subtree containing (T0187)G171 jump= 0.573167 -0.470623 0.379429 0.553198 -23.8767 97.6506 -58.9957 # generation 51: best score out of 40: T0187.try1-al4-scwrl 68.2059 cost/residue, 199 clashes 0.0577746 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 80 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 253 ## OptSubtree 857 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= -0.938664 -0.251444 -0.131892 0.195679 -60.3464 -18.2519 -61.7908 # jumping subtree containing (T0187)A180 jump= 0.736701 -0.372145 0.158905 -0.541784 -110.243 -34.726 52.3911 # jumping subtree containing (T0187)D115 jump= -0.973864 0.170443 -0.125591 -0.0822489 -11.8343 -3.64598 -9.17294 # jumping subtree containing (T0187)T236 jump= -0.596519 0.0689673 0.431813 -0.673013 -50.8621 118.917 79.0584 # jumping subtree containing (T0187)T236 jump= -0.874891 0.248931 0.153084 0.386217 -54.3853 -55.7257 66.4341 # jumping subtree containing (T0187)V228 jump= -0.967113 0.186829 -0.127888 -0.115894 10.5603 7.66889 4.3842 # jumping subtree containing (T0187)V228 jump= -0.859868 0.456717 -0.198452 0.112489 -22.0743 -46.5121 7.96901 # jumping subtree containing (T0187)E156 jump= 0.148862 0.1718 0.309535 0.923316 -157.088 131.356 5.54784 # generation 52: best score out of 40: T0187.try1-al4-scwrl 68.2058 cost/residue, 199 clashes 0.0577744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 83 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 253 ## OptSubtree 880 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.976771 -0.10203 0.0478623 -0.182255 37.5437 29.7135 20.0778 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)W204 jump= -0.430037 0.397471 -0.609884 0.533972 -134.572 -58.1893 50.22 # jumping subtree containing (T0187)L131 jump= 0.499225 -0.308726 -0.394448 0.707017 -73.4844 162.781 64.672 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)T236 jump= -0.724063 -0.577931 0.0383436 -0.37451 -26.8483 97.5003 15.0592 # jumping subtree containing (T0187)D115 jump= -0.561271 0.0736733 -0.253721 0.78433 -160.377 13.1393 9.21164 # jumping subtree containing (T0187)A180 jump= -0.796759 0.256514 -0.23727 -0.49303 -4.31397 116.918 -52.0618 # jumping subtree containing (T0187)P91 jump= 0.548939 -0.286692 0.776145 0.118627 -70.312 -23.2197 -2.31086 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # generation 53: best score out of 40: T0187.try1-al4-scwrl 68.2058 cost/residue, 199 clashes 0.0577744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 87 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 253 ## OptSubtree 900 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G171 jump= 0.887672 -0.124647 -0.301248 0.325193 3.46406 59.8173 84.0869 # jumping subtree containing (T0187)G171 jump= 0.201759 -0.23822 0.638527 -0.70344 -132.848 46.1859 88.0676 # jumping subtree containing (T0187)P91 jump= -0.354507 -0.0688166 0.0208839 -0.932284 -96.2733 185.541 -14.8147 # jumping subtree containing (T0187)G171 jump= 0.991556 0.027654 0.0431522 0.119123 6.34678 33.2136 -1.31383 # jumping subtree containing (T0187)V228 jump= 0.43187 -0.875559 0.214375 -0.0304781 18.601 30.7285 33.6895 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)L131 jump= 0.883381 0.272693 -0.288421 -0.249178 -47.1874 -24.8563 3.77536 # jumping subtree containing (T0187)T236 jump= 0.660831 0.697804 -0.154227 -0.229316 12.3126 20.0428 -41.6989 # Removing break moved up 3 to before 54 # generation 54: best score out of 40: T0187.try1-al4-scwrl 68.2058 cost/residue, 199 clashes 0.0577744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 89 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 253 ## OptSubtree 922 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)W204 jump= 0.978999 0.163433 0.120187 -0.0201598 -5.66714 -14.2879 -33.7628 # jumping subtree containing (T0187)Q142 jump= 0.999414 0.0135601 -0.00076004 0.0314126 18.1243 16.5068 -14.701 # Removing break before 80 # jumping subtree containing (T0187)G171 jump= -0.113433 0.743485 0.481301 0.450235 -134.033 116.789 76.3806 # jumping subtree containing (T0187)T236 jump= -0.789429 -0.0500588 0.611712 -0.0102414 -45.8389 -3.78701 102.381 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # generation 55: best score out of 40: T0187.try1-al4-scwrl 68.2058 cost/residue, 199 clashes 0.0577744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 93 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 253 ## OptSubtree 942 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)W204 jump= -0.0168607 -0.389987 0.281751 0.876494 -146.918 48.973 -76.0485 # Removing break before 40 # jumping subtree containing (T0187)L217 jump= 0.808785 -0.130863 0.268089 0.506824 13.1888 87.8261 -52.9901 # jumping subtree containing (T0187)G171 jump= -0.970408 0.199298 -0.0696053 -0.117236 1.04599 29.9257 11.6521 # jumping subtree containing (T0187)A180 jump= 0.180217 -0.773404 -0.534005 0.290183 -115.539 197.995 65.0747 # jumping subtree containing (T0187)L120 jump= 0.359613 -0.365125 0.07322 0.855571 -57.2026 156.501 -34.3858 # generation 56: best score out of 40: T0187.try1-al4-scwrl 68.2058 cost/residue, 199 clashes 0.0577744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 96 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 254 ## OptSubtree 962 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)W204 jump= -0.137227 -0.0899652 0.909907 -0.380977 -148.239 13.0574 92.7547 # jumping subtree containing (T0187)Y220 jump= 0.955191 -0.255505 0.112824 -0.0979696 -28.0763 -37.6296 0.171792 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)Q110 jump= 0.211876 -0.875001 0.106119 0.422162 20.6355 116.59 -30.735 # jumping subtree containing (T0187)T236 jump= 0.993213 -0.0656844 -0.0957684 0.0064662 24.5775 11.2557 15.2043 # jumping subtree containing (T0187)T236 jump= -0.20592 -0.201602 -0.939557 0.184894 -208.442 69.7647 14.0091 # jumping subtree containing (T0187)E218 jump= -0.939113 -0.181401 -0.230854 0.178513 -49.683 -8.86453 -36.7006 # jumping subtree containing (T0187)S210 jump= -0.689599 -0.535022 0.0983019 0.47806 -82.8121 -1.49546 -52.2109 # jumping subtree containing (T0187)T236 jump= -0.348212 -0.157471 -0.318018 0.86765 -192.061 15.2694 -17.0415 # generation 57: best score out of 40: T0187.try1-al4-scwrl 68.2058 cost/residue, 199 clashes 0.0577744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 100 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 254 ## OptSubtree 982 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)W204 jump= -0.639195 -0.73733 0.117846 0.184084 -14.8415 36.3692 -24.6531 # jumping subtree containing (T0187)P91 jump= 0.993626 0.109246 -0.0276828 -0.00265471 -3.91622 28.2887 -8.25686 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)V108 jump= -0.225273 0.50542 0.486417 -0.676166 -112.714 174.844 31.2268 # jumping subtree containing (T0187)A213 jump= -0.998491 -0.0481131 -0.0132165 0.0229346 12.3713 -5.28176 -9.66613 # Removing break moved up 3 to before 54 # Removing break before 40 # jumping subtree containing (T0187)Y220 jump= -0.650652 0.374477 -0.545797 0.372188 -124.253 -69.5887 12.6202 # Removing break before 40 # jumping subtree containing (T0187)W204 jump= -0.46043 -0.431725 -0.480792 -0.608652 -146.067 139.817 -38.7111 # jumping subtree containing (T0187)L131 jump= -0.999442 -0.0176985 0.0281432 0.00319337 13.3927 -9.87599 11.0511 # jumping subtree containing (T0187)T236 jump= -0.783344 -0.504947 0.0946202 -0.349927 15.0184 77.5864 17.8009 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)A180 jump= -0.317414 0.913121 0.173803 -0.187755 -21.6471 152.102 37.8713 # generation 58: best score out of 40: T0187.try1-al4-scwrl 68.2057 cost/residue, 199 clashes 0.0577746 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 106 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 255 ## OptSubtree 999 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= -0.603645 0.5611 0.564528 0.045678 -87.3869 105.492 123.481 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G171 jump= 0.467497 -0.0796094 0.0951569 0.875245 -60.159 169.372 -5.01269 # jumping subtree containing (T0187)Q110 jump= -0.740174 0.365195 -0.55829 -0.0841833 -41.9034 -7.94827 -88.9555 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)Y220 jump= 0.541637 -0.632488 -0.351004 -0.428235 -118.714 58.3907 146.212 # Removing break before 40 # jumping subtree containing (T0187)Q142 jump= -0.947134 -0.227792 0.206725 0.0911721 -14.0197 -19.0906 -17.6332 # jumping subtree containing (T0187)Y220 jump= 0.586888 0.738756 0.00751345 -0.33128 -53.5976 33.2097 -91.2946 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)L131 jump= -0.647841 0.725017 -0.119233 -0.201089 8.17396 67.9964 29.0232 # jumping subtree containing (T0187)V228 jump= -0.256052 -0.118833 0.818873 0.499764 -123.682 -34.1498 -3.88832 # jumping subtree containing (T0187)E218 jump= -0.908317 -0.28364 0.11972 0.283154 -47.8526 -48.8736 -25.9176 # jumping subtree containing (T0187)Q142 jump= -0.994889 -0.0169433 0.0275813 -0.0956424 0.924091 49.836 10.3432 # jumping subtree containing (T0187)A180 jump= 0.999979 -0.00419656 -0.00499481 -0.000225142 -13.6185 -0.919324 3.36911 # generation 59: best score out of 40: T0187.try1-al4-scwrl 68.2057 cost/residue, 199 clashes 0.0577745 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 109 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 255 ## OptSubtree 1020 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E218 jump= 0.900906 0.220613 0.335167 -0.16541 -56.9396 -6.38015 -65.0199 # jumping subtree containing (T0187)G171 jump= -0.91039 -0.147687 0.221962 0.316403 -71.491 -53.6072 -9.22178 # jumping subtree containing (T0187)G171 jump= 0.885811 -0.0647774 0.450139 -0.0922948 -42.7953 -25.5779 -26.099 # jumping subtree containing (T0187)A180 jump= -0.847684 -0.14177 0.00720785 -0.511156 -25.0173 141.459 6.35099 # jumping subtree containing (T0187)D115 jump= 0.972121 -0.176594 -0.0643965 -0.140176 -29.4084 -7.5541 54.7861 # Removing break before 80 # jumping subtree containing (T0187)G171 jump= 0.29064 0.502157 -0.546797 0.603639 -67.6458 90.6183 148.173 # jumping subtree containing (T0187)Y220 jump= 0.61016 0.22533 -0.253741 0.715924 -67.0019 181.437 107.101 # jumping subtree containing (T0187)T236 jump= 0.885171 -0.110506 0.396953 -0.216077 -82.8078 -56.0198 -25.4563 # generation 60: best score out of 40: T0187.try1-al4-scwrl 68.2055 cost/residue, 199 clashes 0.0577748 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 116 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 256 ## OptSubtree 1036 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V228 jump= 0.889652 0.191253 0.244053 0.335231 -11.7812 66.9722 -58.502 # jumping subtree containing (T0187)W204 jump= 0.844062 -0.209466 0.0997896 0.483452 -18.1186 109.115 -6.07017 # jumping subtree containing (T0187)Y220 jump= -0.733069 0.159902 -0.0654611 0.657842 -147.778 -79.6329 55.7364 # jumping subtree containing (T0187)Y220 jump= 0.0179957 0.330197 -0.498877 -0.801104 -185.252 25.4638 -86.1488 # jumping subtree containing (T0187)A180 jump= -0.937521 -0.287421 0.190302 -0.047215 5.51115 18.7432 29.0719 # jumping subtree containing (T0187)D109 jump= -0.220356 0.276342 0.880874 0.314863 -251.618 78.5045 68.5718 # jumping subtree containing (T0187)A180 jump= 0.911752 -0.383647 0.0621978 0.132873 10.8713 -4.90645 34.5222 # jumping subtree containing (T0187)Y220 jump= -0.762783 0.375878 -0.511475 -0.123578 -31.2188 2.78724 -73.334 # jumping subtree containing (T0187)Y220 jump= 0.919842 -0.250466 0.284159 -0.102033 -14.9214 -57.0674 -16.4155 # jumping subtree containing (T0187)T236 jump= -0.948262 -0.2052 -0.144999 0.194079 -39.7188 -15.008 -59.6549 # generation 61: best score out of 40: T0187.try1-al4-scwrl 68.2055 cost/residue, 199 clashes 0.0577748 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 120 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 256 ## OptSubtree 1056 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.559101 -0.193709 -0.735469 0.330104 -157.683 4.64108 -52.99 # jumping subtree containing (T0187)P237 jump= 0.318946 -0.355116 0.358289 -0.802369 -225.113 82.7009 119.051 # jumping subtree containing (T0187)Y220 jump= 0.825525 -0.397081 0.400584 0.0191723 -66.6632 -67.9648 11.2739 # jumping subtree containing (T0187)P91 jump= 0.318631 -0.789009 0.144507 0.505031 8.27167 93.6561 -34.1858 # jumping subtree containing (T0187)Y220 jump= 0.230345 -0.255045 0.743209 -0.57405 -217.323 -18.3141 58.7429 # jumping subtree containing (T0187)T160 jump= 0.654878 -0.435552 0.490913 -0.374746 -113.847 -62.3091 43.9582 # Removing break before 40 # jumping subtree containing (T0187)Y220 jump= 0.552464 0.0497605 0.575235 -0.601176 -214.719 -54.8535 -46.8849 # jumping subtree containing (T0187)D115 jump= 0.679819 0.22513 0.276093 0.641042 -94.8555 187.918 -47.6737 # jumping subtree containing (T0187)L240 jump= 0.956629 -0.147838 0.21205 0.134312 -6.15299 13.1306 -8.05703 # jumping subtree containing (T0187)E156 jump= -0.982361 -0.0909826 0.148199 -0.0687439 -10.8039 11.2134 9.78761 # jumping subtree containing (T0187)D94 jump= -0.650744 0.662588 -0.363615 0.072756 -17.5889 -1.76868 41.4977 # jumping subtree containing (T0187)A180 jump= -0.969713 -0.0283668 -0.14429 -0.195017 21.8524 54.3734 -50.6972 # jumping subtree containing (T0187)P91 jump= 0.138223 0.0407955 -0.898696 0.414217 -222.334 40.7996 123.631 # jumping subtree containing (T0187)T236 jump= 0.45139 -0.150684 -0.591363 0.651023 -106.248 197.863 160.35 # jumping subtree containing (T0187)T236 jump= -0.57535 0.765676 0.246415 -0.1483 -11.4954 119.964 53.2602 # generation 62: best score out of 40: T0187.try1-al4-scwrl 68.2055 cost/residue, 199 clashes 0.0577748 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 126 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 256 ## OptSubtree 1074 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)A180 jump= 0.518641 0.715537 -0.264214 -0.386278 -28.7256 2.84699 -60.0234 # Removing break before 40 # jumping subtree containing (T0187)R230 jump= -1 -0.000551313 -0.000799461 -0.000142022 -14.7885 -20.83 2.97392 # jumping subtree containing (T0187)A180 jump= -0.915415 0.363943 -0.0835714 -0.150255 18.775 32.8296 20.3043 # Removing break before 40 # jumping subtree containing (T0187)D115 jump= -0.988774 -0.0223409 0.0436199 -0.14115 22.3768 21.25 18.2211 # jumping subtree containing (T0187)Q110 jump= 0.788155 -0.413785 -0.240195 0.387169 4.84349 132.776 59.3167 # jumping subtree containing (T0187)F129 jump= 0.737208 -0.0775172 -0.608421 -0.283441 -105.299 -43.0859 159.522 # Removing break moved up 3 to before 54 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)A180 jump= 0.988202 -0.0509313 -0.0826926 -0.118424 -30.6041 -38.4306 32.5869 # jumping subtree containing (T0187)F129 jump= -0.907562 -0.270544 0.302974 0.106511 -18.421 -43.5231 38.381 # jumping subtree containing (T0187)T236 jump= -0.822193 0.279454 -0.0676747 0.491248 -124.33 -78.4926 63.2735 # generation 63: best score out of 40: T0187.try1-al4-scwrl 68.2054 cost/residue, 199 clashes 0.0577748 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 132 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 256 ## OptSubtree 1092 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T236 jump= 0.984542 0.159285 0.0500861 -0.05289 -6.6921 10.3953 -33.8714 # jumping subtree containing (T0187)Y220 jump= 0.842339 -0.44013 -0.305749 0.0571657 2.364 9.17981 146.773 # jumping subtree containing (T0187)T236 jump= 0.863395 -0.304851 -0.32947 -0.230356 -38.9151 -33.8755 119.169 # jumping subtree containing (T0187)L131 jump= 0.820265 0.000389214 0.264163 -0.507329 -188.439 -77.3705 -40.4688 # jumping subtree containing (T0187)G171 jump= 0.867606 -0.0921987 0.274746 -0.404072 -145.492 -83.4202 -25.5916 # jumping subtree containing (T0187)D115 jump= -0.744956 0.384877 -0.265593 0.475784 -171.758 -99.7151 75.059 # jumping subtree containing (T0187)V228 jump= -0.497022 0.65394 0.312207 0.477346 -148.432 47.789 213.185 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T236 jump= -0.794563 0.568722 0.205403 0.0550821 -19.0199 46.5228 140.329 # jumping subtree containing (T0187)Q142 jump= -0.443399 -0.842887 -0.271389 0.138881 -49.5401 209.294 -70.0566 # jumping subtree containing (T0187)G124 jump= 0.91104 0.162975 -0.245034 -0.288796 -25.9512 -67.0447 35.4049 # Removing break before 40 # jumping subtree containing (T0187)Y220 jump= 0.766203 -0.153903 0.404859 0.474696 -58.9415 70.5714 -65.3055 # jumping subtree containing (T0187)L131 jump= 0.589375 -0.141507 -0.788902 -0.101222 -157.732 7.18161 164.584 # jumping subtree containing (T0187)L131 jump= 0.706952 -0.407831 0.564851 -0.121802 -119.002 -66.3118 4.80368 # generation 64: best score out of 40: T0187.try1-al4-scwrl 68.1872 cost/residue, 192 clashes 0.0577748 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 54 ## TwoFragment 12 ## CrossOver 134 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 256 ## OptSubtree 1113 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Y220 jump= -0.999861 -0.0036705 0.0161302 0.00191105 9.76822 22.3587 -3.55389 # jumping subtree containing (T0187)W204 jump= 0.913529 0.377511 0.0358762 -0.147184 -20.9647 29.4081 -60.6226 # jumping subtree containing (T0187)A180 jump= 0.968619 -0.0753967 -0.225272 -0.0731121 0.87599 -25.1659 59.003 # jumping subtree containing (T0187)W204 jump= -0.690336 -0.248656 -0.631568 0.250457 -190.967 22.7442 -81.8169 # jumping subtree containing (T0187)D109 jump= -0.0771023 -0.597961 -0.126612 -0.787697 -212.623 136.337 137.92 # jumping subtree containing (T0187)T236 jump= 0.619023 -0.726338 -0.134394 0.266798 16.2947 137.148 128.78 # jumping subtree containing (T0187)W204 jump= 0.983227 0.0213736 0.112011 -0.142342 -34.2251 -8.39507 -36.6388 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)T236 jump= 0.486544 0.00261354 -0.651408 0.582182 -92.7742 151.269 170.688 # jumping subtree containing (T0187)T236 jump= -0.454886 -0.737027 -0.422983 0.266375 -132.059 208.332 -54.8007 # generation 65: best score out of 40: T0187.try1-al4-scwrl 68.1872 cost/residue, 192 clashes 0.0577748 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 54 ## TwoFragment 12 ## CrossOver 137 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 259 ## OptSubtree 1138 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D115 jump= -0.587391 -0.747986 0.154494 -0.267621 -11.0001 164.854 99.2202 # jumping subtree containing (T0187)Y220 jump= -0.977404 0.157209 0.0571254 0.129243 -27.2967 -20.7785 57.621 # jumping subtree containing (T0187)D115 jump= 0.754385 0.36328 -0.537962 -0.0976043 -1.86557 -34.9655 92.2202 # jumping subtree containing (T0187)L131 jump= 0.939662 0.0457755 0.0221492 -0.338305 -51.7008 -71.4676 -5.07307 # jumping subtree containing (T0187)A180 jump= -0.979872 -0.0708983 -0.180358 0.0479017 -45.0573 8.83225 -46.738 # jumping subtree containing (T0187)V228 jump= 0.606306 -0.0690677 0.591231 0.527322 -133.609 63.1152 -111.204 # jumping subtree containing (T0187)L107 jump= 0.606335 0.337563 0.710347 -0.117545 -200.469 63.4476 -60.6425 # generation 66: best score out of 40: T0187.try1-al4-scwrl 68.1872 cost/residue, 192 clashes 0.057775 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 54 ## TwoFragment 12 ## CrossOver 138 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 262 ## OptSubtree 1166 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= 0.56218 0.603461 0.264018 0.500083 -77.6489 216.973 -12.2437 # jumping subtree containing (T0187)T236 jump= -0.396021 0.87347 0.0573886 -0.277354 -6.70243 145.889 90.7929 # jumping subtree containing (T0187)L131 jump= -0.393461 0.861758 -0.239014 -0.213152 25.1537 38.4495 1.28247 # jumping subtree containing (T0187)T236 jump= -0.987665 0.0480707 -0.141031 -0.0481431 -13.5313 5.66729 3.51681 # jumping subtree containing (T0187)T236 jump= 0.846083 0.0054222 0.444465 -0.29422 -126.376 -23.3402 -55.2297 # Removing break before 40 # jumping subtree containing (T0187)E156 jump= -0.999363 -0.0247958 -0.0256344 0.00119577 -1.1777 -10.0663 -23.5334 # jumping subtree containing (T0187)E156 jump= 0.188399 0.18794 0.0654707 -0.961716 -222.44 137.065 -40.879 # jumping subtree containing (T0187)T236 jump= -0.995208 0.017389 0.0952129 0.0138723 -16.0454 -19.4833 18.2445 # generation 67: best score out of 40: T0187.try1-al4-scwrl 68.1872 cost/residue, 192 clashes 0.0577745 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 54 ## TwoFragment 12 ## CrossOver 138 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 262 ## OptSubtree 1190 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E211 jump= -0.0976693 0.267174 0.938562 -0.195395 -260.738 110.843 141.243 # jumping subtree containing (T0187)S208 jump= -0.118122 -0.927788 0.139686 0.325185 10.2718 118.689 -19.5442 # jumping subtree containing (T0187)Y220 jump= 0.856394 0.0951507 -0.347888 -0.369472 -55.2901 -52.4997 37.741 # jumping subtree containing (T0187)Y220 jump= -0.542327 -0.792401 0.219915 -0.172102 34.1836 147.534 86.0273 # jumping subtree containing (T0187)A180 jump= 0.48211 -0.750245 -0.0942272 0.44252 -31.4384 156.244 21.5812 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)L131 jump= 0.625751 0.473198 0.584471 -0.207156 -186.853 109.387 -128.158 # jumping subtree containing (T0187)Y220 jump= -0.97922 0.0752575 0.13698 0.129232 -4.3817 -20.5875 56.8992 # jumping subtree containing (T0187)V228 jump= -0.316573 0.332594 0.864838 0.20302 -207.744 22.6017 162.455 # jumping subtree containing (T0187)L131 jump= -0.815546 0.201359 0.538942 0.062294 -63.0877 7.83999 144.995 # jumping subtree containing (T0187)E218 jump= 0.773695 0.449831 0.177168 -0.409462 -80.6532 40.567 -105.997 # jumping subtree containing (T0187)L131 jump= 0.948205 -0.171664 -0.181989 -0.195751 -15.505 -36.0514 88.6454 # generation 68: best score out of 40: T0187.try1-al4-scwrl 68.1872 cost/residue, 192 clashes 0.0577745 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 54 ## TwoFragment 12 ## CrossOver 139 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 262 ## OptSubtree 1213 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D115 jump= -0.71739 0.390286 -0.45843 -0.350528 -61.8263 26.7825 -91.4103 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)Q110 jump= 0.686221 -0.253809 0.265478 0.627856 -58.0335 146.641 -62.8485 # jumping subtree containing (T0187)Q142 jump= -0.0983437 -0.343496 -0.704895 0.61275 -272.734 162.643 27.3297 # jumping subtree containing (T0187)T160 jump= -0.460033 -0.510896 -0.530817 -0.495568 -198.99 189.817 -34.344 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G171 jump= -0.746242 0.29324 0.0534721 -0.595209 -5.76366 172.781 -15.6361 # jumping subtree containing (T0187)Y220 jump= 0.648449 0.0242329 -0.123392 -0.750801 -192.478 -51.717 22.4166 # jumping subtree containing (T0187)Q110 jump= -0.933236 -0.2855 0.00991957 -0.217857 24.7391 76.2805 -2.97558 # jumping subtree containing (T0187)Y220 jump= -0.820525 0.265623 -0.504214 0.0441663 -116.158 -42.1607 -35.462 # jumping subtree containing (T0187)N114 jump= 0.895492 -0.404491 0.139786 -0.122237 -39.5375 -48.8499 71.136 # Removing break before 40 # generation 69: best score out of 40: T0187.try1-al4-scwrl 68.1869 cost/residue, 192 clashes 0.0577752 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 54 ## TwoFragment 12 ## CrossOver 141 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 262 ## OptSubtree 1235 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P205 jump= -0.842951 0.292256 0.43094 -0.135317 -26.3878 58.7706 170.553 # jumping subtree containing (T0187)Y220 jump= -0.669405 -0.202498 0.280276 -0.657523 -63.9267 215.566 110.918 # jumping subtree containing (T0187)Y220 jump= -0.834938 0.189265 -0.487214 -0.172275 -68.2105 -5.05751 -66.7209 # jumping subtree containing (T0187)K150 jump= 0.542166 -0.754238 0.0620462 -0.365146 -96.3285 16.224 220.015 # jumping subtree containing (T0187)L138 jump= -0.432551 0.734969 0.375123 0.36332 -152.459 102.374 183.916 # jumping subtree containing (T0187)T236 jump= -0.934705 -0.0211279 -0.354551 0.0131515 -46.6137 5.31923 -48.4676 # jumping subtree containing (T0187)T236 jump= 0.808059 -0.569925 0.0866837 0.121297 44.6771 23.8456 90.0017 # jumping subtree containing (T0187)Y220 jump= -0.323777 0.603671 -0.712505 0.151945 -122.514 -80.2291 112.153 # jumping subtree containing (T0187)T236 jump= 0.702882 -0.488211 0.492547 -0.158127 -68.1105 -52.077 56.676 # jumping subtree containing (T0187)Y220 jump= 0.275193 0.910011 0.164508 -0.262842 -30.2852 187.855 1.1989 # jumping subtree containing (T0187)Q142 jump= -0.9642 0.194693 0.109809 -0.142674 43.6168 23.3254 64.8208 # Removing break moved up 3 to before 54 # jumping subtree containing (T0187)G171 jump= 0.814047 -0.307674 0.267383 -0.413728 -146.95 -74.4289 33.957 # generation 70: best score out of 40: T0187.try1-al4-scwrl 68.1867 cost/residue, 192 clashes 0.057775 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 54 ## TwoFragment 12 ## CrossOver 142 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 262 ## OptSubtree 1259 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D109 jump= 0.985057 -0.150766 -0.0800568 0.0228797 -4.19557 -12.0957 67.604 # jumping subtree containing (T0187)R103 jump= -0.471618 0.770983 -0.409994 0.122743 -53.6019 -45.5176 132.413 # jumping subtree containing (T0187)K150 jump= 0.902198 -0.296708 0.142901 0.278537 22.0681 59.3956 -14.2821 # Removing break before 40 # jumping subtree containing (T0187)T236 jump= -0.928717 0.288557 -0.154601 -0.174122 15.0358 -4.78577 -11.0006 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)T160 jump= -0.972146 0.165687 -0.117142 0.117295 -19.1549 -55.0197 13.5241 # Removing break before 40 # jumping subtree containing (T0187)Y220 jump= 0.707771 -0.36907 -0.452462 -0.39765 -148.757 -49.7113 182.93 # jumping subtree containing (T0187)A180 jump= -0.0645944 -0.499994 -0.627372 0.593496 -261.738 173.724 -6.41719 # jumping subtree containing (T0187)Y220 jump= 0.433233 0.501652 0.740649 0.109972 -250.625 172.091 -25.6379 # jumping subtree containing (T0187)I141 jump= 0.208313 -0.254942 0.921538 0.20586 -205.72 -48.0458 -5.28463 # jumping subtree containing (T0187)T236 jump= 0.51102 -0.319678 -0.796733 -0.0433721 -161.426 73.1233 201.834 # generation 71: best score out of 40: T0187.try1-al4-scwrl 68.1867 cost/residue, 192 clashes 0.057775 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 54 ## TwoFragment 12 ## CrossOver 146 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 262 ## OptSubtree 1279 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Y220 jump= 0.959217 -0.093193 0.162372 0.211784 11.1234 44.6969 -19.8072 # jumping subtree containing (T0187)G171 jump= -0.596991 -0.211278 0.0846028 0.769289 -243.699 -67.4138 -71.2457 # jumping subtree containing (T0187)Q110 jump= 0.771665 0.330533 -0.123922 -0.529079 -120.134 -51.4176 -62.5995 # jumping subtree containing (T0187)A180 jump= -0.919688 -0.141289 0.365561 0.0239955 12.6494 0.931724 101.83 # jumping subtree containing (T0187)D115 jump= -0.974208 0.149223 -0.0401998 0.164421 -44.2806 -64.4643 44.7616 # jumping subtree containing (T0187)T116 jump= 0.590195 -0.715466 -0.372571 -0.0311251 -69.5905 102.586 219.883 # jumping subtree containing (T0187)T116 jump= -0.0809926 -0.0726061 -0.449461 -0.886653 -292.432 107.643 -22.1817 # jumping subtree containing (T0187)Y220 jump= -0.747298 0.430486 -0.344831 -0.370566 21.3663 51.4706 -65.9569 # jumping subtree containing (T0187)L131 jump= -0.936654 0.212789 0.274966 0.0423571 -2.76428 -17.6329 131.903 # jumping subtree containing (T0187)V228 jump= -0.158499 0.0992179 0.741048 0.644889 -308.199 34.0524 28.1338 # jumping subtree containing (T0187)Y220 jump= -0.0311152 -0.971646 -0.0100956 -0.234166 -30.98 193.871 150.855 # jumping subtree containing (T0187)T116 jump= 0.99676 0.00761929 -0.0799844 0.00379199 22.9252 -11.2321 37.0912 # jumping subtree containing (T0187)G171 jump= 0.325934 0.753205 -0.570552 -0.0303391 -31.3896 -42.2462 89.985 # jumping subtree containing (T0187)E156 jump= -0.313863 -0.486539 -0.75122 0.31692 -288.087 194.217 -41.0899 # generation 72: best score out of 40: T0187.try1-al4-scwrl 68.1865 cost/residue, 192 clashes 0.057775 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 54 ## TwoFragment 12 ## CrossOver 147 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 262 ## OptSubtree 1302 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= 0.925645 -0.291776 0.168222 -0.17248 -50.4714 -90.7978 19.4463 # jumping subtree containing (T0187)D109 jump= -0.010669 0.497626 -0.737194 -0.456946 -134.659 -63.8383 -50.5503 # Removing break before 40 # jumping subtree containing (T0187)Y220 jump= -0.162834 -0.440864 -0.233735 -0.851171 -241.003 203.113 79.1821 # jumping subtree containing (T0187)Y220 jump= 0.98206 0.00976447 0.00817446 0.188137 16.7725 84.126 -17.1446 # jumping subtree containing (T0187)Y220 jump= 0.808742 0.443527 0.0506998 0.382948 0.41254 175.274 1.57138 # jumping subtree containing (T0187)W204 jump= 0.620002 -0.288133 -0.126636 -0.718707 -272.104 -44.3777 127.029 # jumping subtree containing (T0187)E156 jump= -0.31575 0.602811 0.00903059 0.732693 -233.547 84.7979 186.094 # jumping subtree containing (T0187)Y220 jump= 0.983379 0.0300459 0.0490578 0.172209 28.3074 69.9339 -35.6882 # jumping subtree containing (T0187)G171 jump= -0.417541 -0.343615 -0.10293 0.834861 -238.711 69.8251 -85.3754 # jumping subtree containing (T0187)T236 jump= -0.173593 0.331071 -0.920879 0.110629 -207.45 -43.7567 38.8644 # jumping subtree containing (T0187)E211 jump= -0.984614 0.0607128 -0.0270675 -0.161606 9.63401 48.7784 6.36993 # jumping subtree containing (T0187)T236 jump= 0.987724 0.11283 -0.0385282 0.100931 10.0803 49.3205 -27.7654 # jumping subtree containing (T0187)V228 jump= -0.10225 0.838366 0.316688 0.431736 -144.145 197.917 143.171 # jumping subtree containing (T0187)L118 jump= -0.540686 -0.79953 0.176617 0.192916 -6.22429 97.4646 -2.33669 # jumping subtree containing (T0187)K150 jump= -0.786004 0.343217 0.456208 0.237223 -158.075 -10.5021 207.414 # jumping subtree containing (T0187)L131 jump= -0.999981 0.00513371 0.000747321 -0.00330117 -24.2528 3.21372 -9.2998 # jumping subtree containing (T0187)T236 jump= -0.957712 0.233938 0.164978 -0.0290198 6.3852 35.8151 82.4606 # generation 73: best score out of 40: T0187.try1-al4-scwrl 68.1816 cost/residue, 192 clashes 0.0577752 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 54 ## TwoFragment 12 ## CrossOver 151 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 262 ## OptSubtree 1325 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.918851 -0.0375799 0.368555 -0.135894 9.30821 59.0282 120.393 # Removing break before 40 # jumping subtree containing (T0187)P91 jump= 0.690769 -0.253126 -0.20726 -0.644833 -210.565 -89.3688 102.292 # jumping subtree containing (T0187)V228 jump= -0.476233 0.178001 -0.726638 0.462077 -238.585 -40.4148 62.3206 # jumping subtree containing (T0187)L131 jump= 0.0762585 -0.952803 -0.250542 -0.153559 -84.4203 208.962 180.265 # jumping subtree containing (T0187)Y220 jump= -0.395166 0.851147 -0.146893 0.312755 -80.5211 43.0677 189.475 # jumping subtree containing (T0187)Y220 jump= 0.661682 0.629094 -0.387574 0.127295 14.8707 64.959 107.327 # jumping subtree containing (T0187)Y220 jump= 0.691953 -0.405271 0.431259 -0.413489 -164.082 -100.832 96.0877 # jumping subtree containing (T0187)Q142 jump= 0.82225 -0.0558482 -0.0129383 -0.566232 -177.345 -98.9061 44.7096 # jumping subtree containing (T0187)E218 jump= 0.357007 -0.378609 0.850609 0.0752752 -193.659 -93.8226 3.60361 # jumping subtree containing (T0187)Y220 jump= 0.815642 0.0407007 0.518932 -0.252547 -161.768 -49.0728 -80.9651 # generation 74: best score out of 40: T0187.try1-al4-scwrl 68.1816 cost/residue, 192 clashes 0.0577752 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 54 ## TwoFragment 12 ## CrossOver 155 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 262 ## OptSubtree 1350 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.788482 -0.164956 -0.0039635 0.592512 -197.596 -68.5524 -51.6528 # jumping subtree containing (T0187)T236 jump= -0.989778 -0.135166 -0.00418304 -0.0453042 12.9731 33.3355 -49.4287 # jumping subtree containing (T0187)Q110 jump= 0.978346 0.0483797 -0.0928835 -0.178525 -15.042 -27.9016 16.438 # jumping subtree containing (T0187)V228 jump= -0.534551 0.660205 -0.144802 -0.507363 16.5768 137.246 -47.1124 # jumping subtree containing (T0187)T236 jump= 0.766646 -0.0951169 -0.0524866 0.632812 -19.0645 210.115 4.19306 # jumping subtree containing (T0187)T236 jump= 0.941601 0.0262036 0.317379 0.109415 -27.8161 44.2425 -88.2677 # jumping subtree containing (T0187)T236 jump= 0.204407 -0.385723 -0.882225 -0.176393 -267.988 103.126 109.038 # jumping subtree containing (T0187)L131 jump= -0.226835 -0.667601 -0.464823 -0.535532 -258.514 217.659 82.972 # jumping subtree containing (T0187)T236 jump= 0.559002 0.567174 0.397132 0.456197 -137.663 226.193 -65.44 # jumping subtree containing (T0187)T160 jump= 0.859861 0.173147 -0.121469 -0.464655 -147.824 -88.6576 -34.762 # jumping subtree containing (T0187)K150 jump= 0.997809 -0.0643773 -0.00256582 0.0150547 20.6878 7.44572 11.3729 # jumping subtree containing (T0187)D115 jump= 0.126212 0.568296 0.202069 0.787578 -260.005 213.581 122.698 # generation 75: best score out of 40: T0187.try1-al4-scwrl 68.1816 cost/residue, 192 clashes 0.0577751 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 54 ## TwoFragment 12 ## CrossOver 157 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 263 ## OptSubtree 1377 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= -0.96474 0.033572 -0.178791 0.190222 -45.6038 -38.6749 -34.2051 # jumping subtree containing (T0187)G171 jump= 0.168674 0.434991 -0.808123 -0.359541 -170.044 -122.276 33.4712 # jumping subtree containing (T0187)L131 jump= 0.046727 -0.230364 0.236761 0.942705 -273.197 132.034 -77.241 # jumping subtree containing (T0187)Y220 jump= -0.966612 0.159555 0.132863 0.150169 -44.6549 -53.9458 60.1642 # Removing break before 40 # jumping subtree containing (T0187)Y220 jump= -0.126941 0.0361421 -0.753302 0.644295 -282.487 80.6069 119.695 # jumping subtree containing (T0187)T236 jump= -0.416804 0.459757 0.658921 0.425113 -264.765 56.9938 164.407 # jumping subtree containing (T0187)W204 jump= 0.85231 -0.455702 0.0634895 -0.24874 -59.5078 -33.1085 114.833 # Removing break before 40 # jumping subtree containing (T0187)L131 jump= 0.708449 0.385724 0.554446 -0.204711 -214.377 93.7305 -101.684 # generation 76: best score out of 40: T0187.try1-al4-scwrl 68.1383 cost/residue, 197 clashes 0.0577752 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 159 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 263 ## OptSubtree 1398 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing (T0187)Q142 jump= -0.790848 0.199008 -0.334234 0.472486 -226.741 -83.2571 27.0531 # jumping subtree containing (T0187)T236 jump= 0.545553 0.118172 0.480691 0.676272 -146.243 169.851 -107.103 # jumping subtree containing (T0187)A180 jump= -0.95611 -0.223432 0.187828 -0.0255307 -0.397016 47.0272 40.2324 # jumping subtree containing (T0187)T236 jump= -0.388946 -0.105374 0.725404 0.558038 -257.172 -29.0729 29.7721 # jumping subtree containing (T0187)D109 jump= -0.982796 0.102931 0.121896 -0.0930493 22.8864 5.58064 66.0947 # jumping subtree containing (T0187)L131 jump= -0.773837 -0.15066 0.232706 -0.569496 -33.2787 194.89 119.017 # jumping subtree containing (T0187)T236 jump= -0.380248 -0.361353 0.601882 0.602141 -158.567 -57.8725 -61.3752 # jumping subtree containing (T0187)V108 jump= 0.971637 -0.221431 0.0829441 -0.00302402 -22.9607 -41.1453 25.9939 # jumping subtree containing (T0187)T236 jump= -0.999689 -0.00957269 0.0228799 0.0024485 17.9109 -13.6542 -3.08213 # jumping subtree containing (T0187)Y220 jump= -0.442298 -0.809945 -0.030052 0.384003 -45.2559 155.009 -82.0186 # jumping subtree containing (T0187)E211 jump= -0.155855 0.739971 0.0446805 0.652806 -187.646 140.919 209.303 # jumping subtree containing (T0187)T236 jump= 0.999725 0.0039268 0.00961648 0.021016 15.5785 -13.9264 -1.32201 # generation 77: best score out of 40: T0187.try1-al4-scwrl 68.1383 cost/residue, 197 clashes 0.0577752 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 161 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 266 ## OptSubtree 1426 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.0697636 -0.39824 0.850691 -0.33595 -174.697 -18.6995 163.492 # jumping subtree containing (T0187)T236 jump= 0.455944 -0.521433 0.710908 0.12179 -75.0762 -62.1605 -63.2011 # jumping subtree containing (T0187)K150 jump= 0.988462 0.0744977 -0.0984576 0.0877388 29.2865 46.142 43.3883 # jumping subtree containing (T0187)K150 jump= 0.629551 -0.141184 0.71119 0.27918 -139.214 27.595 -149.762 # jumping subtree containing (T0187)V228 jump= 0.0643539 -0.310055 0.669673 0.671761 -207.553 6.15978 -102.693 # jumping subtree containing (T0187)G171 jump= 0.8566 -0.331561 -0.311865 0.242988 12.5297 98.8827 127.485 # jumping subtree containing (T0187)W204 jump= -0.718943 0.0327867 -0.681363 -0.133385 -152.557 38.2905 -139.837 # jumping subtree containing (T0187)G171 jump= 0.960409 -0.223423 0.133124 -0.0998782 -23.435 -71.7911 18.1662 # jumping subtree containing (T0187)V228 jump= 0.545976 -0.801318 0.191764 -0.151746 -38.5468 10.5246 144.495 # jumping subtree containing (T0187)L131 jump= -0.374377 -0.827255 0.208559 0.36331 -3.79703 67.4562 -26.087 # jumping subtree containing (T0187)Q142 jump= 0.749054 0.337626 -0.566363 0.0644991 -9.13875 9.75277 166.525 # jumping subtree containing (T0187)T236 jump= 0.805424 0.0713376 -0.0492653 0.586324 -26.9934 198.277 20.8325 # jumping subtree containing (T0187)L131 jump= 0.880732 0.341369 -0.260787 0.199421 19.2418 80.8393 84.3911 # generation 78: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 164 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 266 ## OptSubtree 1452 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= 0.384725 0.771041 0.50734 -0.00937132 -144.462 237.616 -62.1996 # jumping subtree containing (T0187)K150 jump= -0.485202 -0.447215 0.629617 -0.410074 -53.3084 71.9021 215.618 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)V228 jump= 0.863602 0.0418407 -0.47441 0.165456 -0.632653 44.8021 126.837 # jumping subtree containing (T0187)T236 jump= 0.141382 0.488136 -0.241589 0.826661 -195.859 150.587 175.142 # jumping subtree containing (T0187)T236 jump= 0.896335 -0.395542 0.139554 -0.143716 -35.7529 -27.8177 34.034 # jumping subtree containing (T0187)T236 jump= -0.142685 0.612999 -0.063756 -0.774473 -108.235 212.064 -116.879 # jumping subtree containing (T0187)T160 jump= -0.463832 -0.508454 -0.642843 0.336285 -280.918 155.461 -78.7867 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)P91 jump= 0.583265 0.297583 0.752727 0.0681808 -261.833 101.471 -85.5864 # jumping subtree containing (T0187)T236 jump= 0.527953 0.372414 -0.667096 -0.370885 -133.07 -89.2272 -7.42774 # jumping subtree containing (T0187)D115 jump= -0.0814662 -0.447444 0.85357 -0.254117 -180.073 -13.337 193.205 # generation 79: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 165 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 270 ## OptSubtree 1473 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 80 # jumping subtree containing (T0187)W204 jump= -0.455117 0.446936 0.651737 -0.410312 -149.055 226.361 177.587 # jumping subtree containing (T0187)T236 jump= 0.98326 -0.145908 0.0776176 -0.0767201 -23.5091 -40.3186 15.1208 # jumping subtree containing (T0187)V228 jump= -0.810706 0.241698 -0.186174 0.499677 -143.496 -78.7788 70.7251 # jumping subtree containing (T0187)G170 jump= 0.163526 0.770487 -0.430198 0.441065 -101.994 63.4801 222.517 # jumping subtree containing (T0187)G171 jump= 0.574195 -0.249918 -0.300301 0.719486 -113.819 229.083 59.9947 # jumping subtree containing (T0187)T236 jump= 0.687211 0.698813 -0.0177926 -0.197698 -33.8432 91.3739 -108.128 # jumping subtree containing (T0187)W204 jump= 0.174108 0.797961 -0.251256 0.519438 -79.9302 169.243 165.408 # jumping subtree containing (T0187)E218 jump= -0.716863 -0.32626 -0.00780108 0.616118 -164.911 -40.6704 -66.6148 # jumping subtree containing (T0187)G171 jump= 0.0569517 0.77841 -0.225163 0.583212 -131.02 114.449 213.386 # jumping subtree containing (T0187)A180 jump= -0.764709 0.461154 0.206283 0.400006 -142.977 -58.0004 195.994 # generation 80: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 167 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1501 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.225599 -0.48873 -0.138959 0.831227 -233.636 133.156 -85.45 # jumping subtree containing (T0187)D196 jump= -0.951721 -0.249035 -0.0553209 -0.170729 -10.2823 69.9999 -51.026 # jumping subtree containing (T0187)T236 jump= 0.553885 -0.615643 -0.262058 -0.4955 -155.244 49.3949 204.87 # jumping subtree containing (T0187)E218 jump= -0.404524 -0.201856 -0.0712456 -0.889122 -201.398 224.354 13.1318 # jumping subtree containing (T0187)E218 jump= -0.530728 -0.698381 -0.0645602 -0.475841 -53.8362 225.145 51.41 # jumping subtree containing (T0187)T236 jump= -0.283944 0.779645 -0.371747 0.416334 -79.0434 -0.684467 153.308 # jumping subtree containing (T0187)L131 jump= -0.999884 0.00702868 0.0131223 0.00323623 20.7849 5.90001 18.6349 # jumping subtree containing (T0187)A180 jump= 0.0754836 -0.683804 -0.455561 -0.564959 -252.046 197.68 182.506 # jumping subtree containing (T0187)P91 jump= -0.216897 -0.147149 -0.0542358 -0.963515 -289.822 185.777 53.1554 # generation 81: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 168 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1524 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E139 jump= -0.35252 -0.306608 0.381268 -0.797719 -208.294 243.661 176.263 # jumping subtree containing (T0187)T236 jump= 0.531562 -0.374989 0.56011 0.512934 -70.6585 67.4266 -107.592 # jumping subtree containing (T0187)A180 jump= 0.9628 0.261157 -0.0598287 -0.0351082 0.0186332 -3.93127 -31.9971 # jumping subtree containing (T0187)V228 jump= -0.840138 0.467403 0.169687 -0.216587 15.8439 104.075 86.1623 # jumping subtree containing (T0187)D115 jump= -0.49841 0.124731 -0.796253 -0.319392 -236.92 5.41324 -90.7208 # jumping subtree containing (T0187)V108 jump= -0.952705 -0.0990025 0.136066 0.253057 -57.7643 -47.2674 7.35757 # jumping subtree containing (T0187)T236 jump= -0.869888 0.219841 0.0937212 0.431488 -150.485 -85.1258 85.9953 # jumping subtree containing (T0187)D115 jump= 0.712999 0.537018 -0.420339 -0.162971 -7.7501 -36.044 34.7114 # jumping subtree containing (T0187)T236 jump= -0.224558 0.92194 0.233009 -0.212855 -32.5727 244.723 73.4026 # jumping subtree containing (T0187)E218 jump= -0.324645 -0.587858 -0.732462 0.111927 -261.484 218.779 -19.0992 # generation 82: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 173 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1543 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= -0.851835 -0.250924 0.312412 -0.337363 0.698346 120.185 107.354 # jumping subtree containing (T0187)T236 jump= 0.0935406 0.392091 0.490886 0.772364 -295.046 173.72 43.4976 # jumping subtree containing (T0187)Q110 jump= 0.815183 -0.0214591 -0.141621 0.561212 -4.61106 186.795 31.4552 # jumping subtree containing (T0187)G123 jump= -0.689437 0.425056 0.575288 -0.114225 -74.5986 108.55 219.598 # jumping subtree containing (T0187)A180 jump= -0.044169 -0.982606 -0.148317 0.102652 -20.7656 181.517 39.576 # jumping subtree containing (T0187)E218 jump= -0.583312 -0.806081 0.099641 0.00728356 14.413 121.575 -13.0299 # jumping subtree containing (T0187)A180 jump= 0.929471 0.145131 0.148931 0.304696 -30.9367 134.905 -57.0144 # Removing break before 40 # jumping subtree containing (T0187)T236 jump= -0.198405 0.458145 -0.180746 0.84739 -264.412 72.3558 168.57 # jumping subtree containing (T0187)D109 jump= -0.963528 -0.0673752 0.254353 -0.0487802 30.2286 16.4214 94.988 # jumping subtree containing (T0187)E218 jump= 0.999006 -0.00997393 0.0239358 -0.0362532 -26.272 5.6503 -0.456042 # jumping subtree containing (T0187)D115 jump= 0.169682 0.561424 -0.742191 -0.324288 -116.047 -91.7691 -3.82622 # jumping subtree containing (T0187)G171 jump= -0.645009 -0.236521 0.714033 0.134827 -96.1408 -67.9007 178.209 # generation 83: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 176 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1570 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q110 jump= -0.635711 -0.166365 0.705485 -0.265489 -86.0444 67.4404 210.889 # jumping subtree containing (T0187)K150 jump= -0.70365 0.260015 0.611889 0.250721 -186.544 -6.82096 204.708 # jumping subtree containing (T0187)E218 jump= 0.60009 -0.00489763 -0.785463 0.151382 -116.934 31.5109 223.847 # jumping subtree containing (T0187)T236 jump= 0.744008 0.23612 -0.245654 0.574763 -0.688133 187.82 90.6677 # jumping subtree containing (T0187)D206 jump= 0.984874 -0.155434 -0.0745931 0.0173153 0.553528 -7.03273 27.6842 # Removing break before 40 # jumping subtree containing (T0187)E140 jump= -0.382548 0.318362 0.72175 0.481019 -322.8 12.1959 164.135 # jumping subtree containing (T0187)R103 jump= 0.927381 -0.322177 0.162851 0.0982095 4.13044 11.0171 20.7173 # Removing break before 40 # generation 84: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 181 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1589 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= 0.69278 0.139745 0.535678 0.462143 -150.004 129.41 -105.605 # jumping subtree containing (T0187)S126 jump= -0.980122 -0.0358543 -0.177458 0.0811396 -58.4023 -16.8863 -44.9813 # jumping subtree containing (T0187)T236 jump= 0.530053 -0.122748 0.77033 -0.332517 -247.005 -66.9941 -22.6568 # jumping subtree containing (T0187)T236 jump= -0.99498 0.0746991 -0.0385063 0.0543296 -23.2568 -3.6229 21.4689 # jumping subtree containing (T0187)T160 jump= -0.872619 0.120199 -0.457871 -0.120179 -98.49 19.2353 -94.9918 # jumping subtree containing (T0187)Y220 jump= 0.664093 -0.0647464 0.216861 -0.712573 -238.043 -44.4713 -16.8767 # jumping subtree containing (T0187)A180 jump= 0.932593 0.275645 -0.128713 0.194226 16.9187 108.884 26.2522 # jumping subtree containing (T0187)A180 jump= -0.26711 -0.666322 -0.252727 0.648688 -193.163 182.748 -127 # jumping subtree containing (T0187)D115 jump= -0.999552 0.0236342 -0.0169883 0.00700799 13.3386 8.07215 -17.4201 # jumping subtree containing (T0187)A180 jump= 0.0652189 0.432019 -0.875087 0.208155 -216.199 -77.0474 168.283 # jumping subtree containing (T0187)D115 jump= -0.8967 0.202647 0.369078 -0.136544 -5.79654 33.4906 156.794 # jumping subtree containing (T0187)Q110 jump= 0.847802 0.46025 0.263286 0.00908492 -55.8079 102.654 -86.8816 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)E218 jump= 0.419132 0.650318 0.545468 -0.322302 -216.803 196.335 -67.4714 # generation 85: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 186 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1608 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E211 jump= -0.876663 -0.153043 0.0462458 0.453763 -145.192 -58.4447 -42.2716 # jumping subtree containing (T0187)D115 jump= -0.890735 0.318716 -0.118001 0.301807 -87.5163 -68.9776 47.8385 # jumping subtree containing (T0187)T236 jump= 0.999372 -0.0193223 -0.0287033 0.00758508 -9.98116 -7.98923 1.92806 # jumping subtree containing (T0187)T236 jump= 0.470758 -0.195642 0.663629 -0.547456 -253.125 -49.5759 58.0178 # jumping subtree containing (T0187)T236 jump= -0.760326 -0.342515 0.429779 0.346233 -99.738 -84.1395 10.7386 # jumping subtree containing (T0187)E218 jump= -0.663409 -0.736992 -0.0108183 -0.128897 -13.8178 172.95 -15.6658 # Removing break before 40 # jumping subtree containing (T0187)E218 jump= -0.560758 0.616623 -0.0604699 0.549245 -164.903 -8.35789 159.773 # jumping subtree containing (T0187)E211 jump= -0.536415 -0.58799 0.279281 -0.537148 -40.4741 176.543 155.068 # Removing break before 40 # jumping subtree containing (T0187)G171 jump= 0.243764 -0.0954547 -0.0911404 -0.960813 -315.669 48.6913 43.3499 # jumping subtree containing (T0187)E218 jump= 0.667915 -0.328061 0.300763 0.596495 -76.203 131.144 -91.0484 # jumping subtree containing (T0187)I141 jump= -0.813352 0.308089 -0.49191 -0.039539 -89.8074 -21.4043 -68.0379 # jumping subtree containing (T0187)T236 jump= -0.0591829 0.843268 -0.414668 -0.336817 8.36999 25.8954 -34.0783 # generation 86: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 191 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1627 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= -0.61421 0.632123 0.0931787 -0.463125 1.34754 160.349 65.9233 # jumping subtree containing (T0187)E218 jump= 0.0336084 -0.014582 -0.925549 0.376852 -277.267 36.8315 144.085 # jumping subtree containing (T0187)W204 jump= -0.997374 0.00975283 0.0656153 0.0290562 13.3268 12.1792 20.7938 # jumping subtree containing (T0187)P91 jump= 0.948324 0.0226111 0.258544 -0.182553 -64.0565 -40.4925 -52.2515 # jumping subtree containing (T0187)K150 jump= -0.217992 -0.288054 -0.649157 0.669402 -332.276 165.151 -2.239 # jumping subtree containing (T0187)T160 jump= 0.839921 -0.443469 0.18855 -0.249634 -90.6206 -69.7948 62.9714 # jumping subtree containing (T0187)T236 jump= -0.335102 0.790276 0.398676 -0.322844 -90.8202 249.914 53.0875 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)D115 jump= 0.371451 -0.0179323 -0.31112 -0.874589 -331.704 13.7275 9.09417 # jumping subtree containing (T0187)T236 jump= -0.391639 0.218476 -0.00166403 -0.893804 -164.66 221.812 -44.5466 # jumping subtree containing (T0187)V228 jump= -0.99313 0.0969135 -0.0640638 0.0140082 6.26074 -30.8594 7.18408 # jumping subtree containing (T0187)L131 jump= -0.960227 0.0117844 -0.219497 0.172183 -61.8244 -36.703 -61.3498 # jumping subtree containing (T0187)D109 jump= 0.333509 -0.931553 0.131885 -0.0598873 -10.797 36.4189 158.774 # Removing break before 40 # jumping subtree containing (T0187)E218 jump= -0.484381 0.23922 -0.787139 -0.297591 -206.212 -18.0005 -97.173 # jumping subtree containing (T0187)P91 jump= 0.412525 -0.192653 0.88219 0.120204 -260.319 -22.2044 -49.2214 # generation 87: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 196 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1646 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I232 jump= 0.955427 -0.224417 -0.183586 0.0556168 8.48265 25.2872 94.7158 # jumping subtree containing (T0187)A180 jump= 0.877261 -0.169716 -0.447714 0.0340774 -27.8552 43.0012 187.231 # jumping subtree containing (T0187)A180 jump= 0.219109 -0.377271 -0.337627 0.834066 -242.491 249.026 -10.9103 # jumping subtree containing (T0187)T236 jump= 0.189356 0.670741 0.589857 0.407822 -227.507 260.132 11.8034 # jumping subtree containing (T0187)D109 jump= 0.770037 -0.451007 0.41881 -0.168032 -87.8862 -87.0612 16.1307 # jumping subtree containing (T0187)Q110 jump= -0.785649 -0.267971 0.55718 -0.0222877 -4.95649 -18.3302 136.47 # jumping subtree containing (T0187)E156 jump= 0.999818 -0.0146779 -4.71778e-05 0.0121876 -11.1747 -20.459 -9.65791 # generation 88: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 200 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1671 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.823169 0.549814 -0.018384 -0.140567 19.5209 51.8969 72.3949 # Removing break before 40 # jumping subtree containing (T0187)T236 jump= -0.974843 0.210785 0.0469814 0.0551759 -34.9551 -25.6414 53.5418 # jumping subtree containing (T0187)G171 jump= 0.470747 0.877805 0.079297 -0.0395986 -23.4935 170.091 -18.1783 # jumping subtree containing (T0187)T236 jump= 0.375859 0.858046 -0.34587 0.0534853 45.5431 60.4131 38.8517 # jumping subtree containing (T0187)T236 jump= 0.980559 -0.186408 -0.0203378 -0.0578189 -12.3365 -27.8799 16.6082 # jumping subtree containing (T0187)K150 jump= 0.874872 -0.2204 -0.167474 0.397461 43.5781 147.144 66.6485 # jumping subtree containing (T0187)T236 jump= 0.458285 0.705601 -0.521384 -0.142342 -7.95433 -3.59559 -9.35927 # jumping subtree containing (T0187)D115 jump= 0.36719 0.701369 0.60711 0.0683438 -231.039 241.631 -18.8853 # jumping subtree containing (T0187)V108 jump= -0.76998 -0.566632 0.233954 0.176986 -7.10516 16.0363 3.59285 # jumping subtree containing (T0187)A180 jump= 0.892595 -0.450328 0.01098 -0.0189034 21.7165 -20.6536 92.1045 # jumping subtree containing (T0187)R103 jump= 0.308754 0.5516 0.650888 -0.42042 -225.104 176.547 -47.878 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)T236 jump= 0.840847 -0.347119 0.395565 -0.126544 -75.2327 -60.6241 -8.87314 # jumping subtree containing (T0187)E140 jump= 0.972708 -0.0579721 0.216098 0.061481 -17.6274 -3.47869 -81.5292 # jumping subtree containing (T0187)T236 jump= -0.0393028 -0.111706 0.883317 0.453573 -287.206 -0.888145 -35.2806 # jumping subtree containing (T0187)T236 jump= -0.987766 0.142225 -0.055191 0.032322 -1.823 5.06536 30.0845 # jumping subtree containing (T0187)T236 jump= -0.990034 -0.0725717 0.0190801 0.119175 -39.2662 -8.96877 -8.66853 # generation 89: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 204 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1691 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T160 jump= 0.115707 -0.361367 -0.259668 0.88803 -225.196 243.51 -30.7989 # jumping subtree containing (T0187)L131 jump= -0.923226 -0.0316813 -0.342117 0.172066 -107.484 -32.1399 -100.686 # jumping subtree containing (T0187)E218 jump= -0.0727251 -0.0183622 -0.484684 0.871467 -296.739 157.253 91.8118 # jumping subtree containing (T0187)T160 jump= 0.0602246 0.987434 -0.0781054 -0.123474 30.0515 171.868 48.24 # jumping subtree containing (T0187)T236 jump= 0.113947 -0.168914 -0.744496 -0.635775 -311.48 69.4789 20.6275 # jumping subtree containing (T0187)T236 jump= -0.914102 0.270264 -0.283978 0.103589 -46.272 -40.2831 10.2522 # jumping subtree containing (T0187)Q110 jump= -0.998439 0.00542982 -0.0538678 0.0137166 -9.33987 -18.0034 9.26228 # jumping subtree containing (T0187)T236 jump= -0.311039 0.497262 0.165119 0.792919 -270.141 116.139 141.133 # jumping subtree containing (T0187)T236 jump= 0.0538559 -0.376218 0.258635 0.88807 -194.079 142.504 -109.182 # jumping subtree containing (T0187)T236 jump= 0.369634 -0.0610207 -0.89808 -0.230434 -246.607 -27.3309 98.8276 # generation 90: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 209 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1710 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S227 jump= 0.915998 -0.104057 0.36343 0.13431 -37.1412 27.2388 -70.6687 # jumping subtree containing (T0187)T236 jump= 0.323911 -0.4054 0.591921 0.616735 -138.387 38.151 -152.989 # jumping subtree containing (T0187)G171 jump= 0.695973 -0.653509 0.0115388 -0.297347 -98.0093 -23.9096 155.046 # jumping subtree containing (T0187)D115 jump= 0.391076 -0.0638052 -0.38846 -0.831918 -328.043 -0.340058 21.4625 # jumping subtree containing (T0187)Q110 jump= 0.38967 0.117353 0.572073 -0.712122 -312.869 85.953 -20.7032 # jumping subtree containing (T0187)L131 jump= -0.894714 -0.149263 -0.131237 0.399981 -103.526 -41.7302 -63.0634 # jumping subtree containing (T0187)K150 jump= -0.943195 -0.13014 -0.195796 -0.234756 -13.7284 103.655 -107.044 # jumping subtree containing (T0187)T236 jump= -0.902082 -0.0380194 0.408213 0.134779 -64.4812 -46.0284 85.7473 # Removing break before 40 # jumping subtree containing (T0187)I232 jump= 0.978227 -0.203437 0.0336018 0.02358 -13.8737 20.5548 32.2119 # jumping subtree containing (T0187)V228 jump= 0.942127 -0.311931 0.0162013 -0.12179 -24.0165 -41.1562 71.9476 # generation 91: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 215 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1728 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= 0.74729 -0.464865 -0.472928 -0.042405 -72.2744 88.2744 220.703 # jumping subtree containing (T0187)W204 jump= -0.549553 0.779186 -0.225074 -0.200505 13.0076 60.9703 46.3587 # jumping subtree containing (T0187)T236 jump= -0.851335 -0.270607 -0.441841 -0.0823239 -77.1122 101.438 -117.246 # jumping subtree containing (T0187)D115 jump= 0.999811 0.00724377 0.0146257 0.0105239 3.25857 24.9315 -1.98451 # Removing break before 40 # jumping subtree containing (T0187)D115 jump= -0.926638 -0.271508 0.0393538 0.257053 -40.341 -23.9522 -61.2463 # jumping subtree containing (T0187)E156 jump= -0.995551 -0.0198955 0.0746064 -0.0540001 -6.46031 31.5279 12.2667 # jumping subtree containing (T0187)I141 jump= 0.839562 -0.235115 -0.468329 0.143265 -59.0256 77.18 195.352 # jumping subtree containing (T0187)I232 jump= 0.0620334 -0.635819 -0.469554 -0.60943 -245.514 179.907 130.416 # jumping subtree containing (T0187)D115 jump= 0.0946281 -0.872184 0.472743 0.0827901 11.6374 -36.0173 81.3718 # jumping subtree containing (T0187)P91 jump= -0.996077 -0.00615623 0.0441209 -0.076455 13.5533 -2.02685 17.8251 # jumping subtree containing (T0187)R103 jump= 0.873488 0.363506 0.242237 0.214951 -54.1559 134.57 -86.3818 # generation 92: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 218 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1749 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.371891 0.571848 -0.316375 0.659237 -176.172 18.5565 193.686 # jumping subtree containing (T0187)T236 jump= -0.40962 -0.880623 0.152952 0.182538 17.0684 94.3625 -59.4196 # Removing break moved up 3 to before 72 # Removing break before 40 # jumping subtree containing (T0187)A180 jump= -0.746388 -0.283103 0.583962 0.147465 -55.5961 -49.9329 142.492 # jumping subtree containing (T0187)D109 jump= -0.825256 0.111262 0.423344 0.356867 -139.547 -68.861 124.76 # jumping subtree containing (T0187)A180 jump= -0.27792 0.563964 0.142435 -0.764472 -118.332 243.287 -58.2511 # jumping subtree containing (T0187)G171 jump= 0.779388 -0.20433 -0.541516 0.239925 -59.2027 121.027 217.717 # jumping subtree containing (T0187)T236 jump= -0.998465 -0.00864463 -0.0123689 -0.0532835 13.7756 -9.37077 -7.54667 # jumping subtree containing (T0187)V108 jump= -0.931728 -0.0881446 0.257782 -0.240128 0.756407 73.2893 90.337 # jumping subtree containing (T0187)K150 jump= -0.331673 -0.0373298 -0.0783759 -0.939392 -231.226 286.024 -32.6521 # jumping subtree containing (T0187)T236 jump= -0.770277 0.000315871 0.563096 0.299326 -146.596 -57.729 110.312 # generation 93: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 221 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1770 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.443163 0.418838 0.19457 0.768326 -242.968 39.9365 148.586 # jumping subtree containing (T0187)T236 jump= -0.377768 0.11617 0.196107 0.897406 -324.207 63.4583 42.6331 # jumping subtree containing (T0187)W204 jump= 0.947651 0.196363 0.240272 0.0752876 -35.7913 43.4697 -74.3826 # jumping subtree containing (T0187)T236 jump= -0.853497 0.433605 -0.104962 -0.26928 16.1384 88.2665 -3.03518 # jumping subtree containing (T0187)E211 jump= -0.753491 -0.547312 0.0549063 0.360119 -72.1616 13.0248 -82.4065 # jumping subtree containing (T0187)T236 jump= -0.0737023 -0.723016 -0.678966 0.104021 -228.884 252.301 9.63241 # jumping subtree containing (T0187)T236 jump= 0.516884 0.53185 0.221899 0.63303 -126.644 259.596 -11.1448 # jumping subtree containing (T0187)T236 jump= -0.831203 -0.285762 0.246066 -0.408526 7.48807 144.776 82.7714 # jumping subtree containing (T0187)V108 jump= 0.887756 -0.42442 -0.177079 -0.0200065 -15.0238 0.143063 123.872 # jumping subtree containing (T0187)V228 jump= 0.396824 0.423704 -0.696784 0.421305 -95.6021 79.4076 196.346 # Removing break before 40 # jumping subtree containing (T0187)W204 jump= 0.893541 -0.109245 -0.224788 0.372989 5.12027 157.292 73.3894 # jumping subtree containing (T0187)P237 jump= -0.999791 0.00400959 -0.0179651 -0.0088605 -9.52287 6.16282 12.8174 # jumping subtree containing (T0187)D115 jump= -0.53354 0.0819129 -0.803345 -0.25152 -232.215 -1.47895 -92.7927 # jumping subtree containing (T0187)S227 jump= -0.159012 0.209914 -0.218179 -0.939707 -206.889 173.001 -59.5804 # generation 94: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 222 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1793 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V228 jump= 0.53507 0.842432 -0.0165901 0.0610974 4.65947 148.641 -6.52701 # jumping subtree containing (T0187)T236 jump= -0.525145 -0.586461 0.613914 -0.0582745 -8.6374 -12.5656 118.188 # jumping subtree containing (T0187)T236 jump= -0.388162 -0.786082 0.406515 0.257199 12.8998 14.1939 -57.8618 # jumping subtree containing (T0187)E218 jump= -0.144728 -0.571147 -0.803909 0.0810908 -270.527 195.203 48.031 # jumping subtree containing (T0187)T236 jump= 0.712276 -0.453544 0.373489 -0.384015 -113.66 -64.7287 69.5546 # jumping subtree containing (T0187)G171 jump= 0.146438 0.976903 -0.153582 0.0250931 31.7158 127.542 98.5347 # jumping subtree containing (T0187)D115 jump= -0.0682147 0.804833 -0.510078 0.295652 -59.2841 5.35095 181.639 # jumping subtree containing (T0187)I232 jump= 0.302936 -0.465791 -0.695155 -0.4561 -283.249 69.2383 151.475 # jumping subtree containing (T0187)E140 jump= -0.404919 -0.750808 0.487245 -0.186869 -10.1685 47.0799 132.521 # jumping subtree containing (T0187)W204 jump= -0.486412 -0.0180135 -0.261437 0.833505 -310.777 10.0634 27.2831 # jumping subtree containing (T0187)G171 jump= -0.14476 -0.599384 0.781611 0.0941676 -128.911 -74.5684 82.1831 # jumping subtree containing (T0187)D109 jump= -0.999581 -0.0191751 -0.0211316 0.00480757 -8.14679 -11.448 -35.8054 # jumping subtree containing (T0187)I141 jump= -0.909743 0.022061 0.213699 0.355266 -115.534 -91.2761 75.4459 # generation 95: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 226 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1813 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= 0.92732 -0.298757 0.216574 -0.062584 -26.3647 -52.6922 20.888 # jumping subtree containing (T0187)E156 jump= 0.102804 0.179921 0.966351 -0.152402 -338.835 93.0922 51.4192 # jumping subtree containing (T0187)L131 jump= 0.646143 -0.628594 0.138857 0.409985 21.2909 66.0547 -23.9949 # jumping subtree containing (T0187)E140 jump= 0.994332 -0.0573921 0.0829341 -0.0336499 -5.83491 -19.8882 -6.57205 # jumping subtree containing (T0187)T236 jump= -0.168966 0.875383 0.353082 0.283703 -107.356 206.8 136.688 # jumping subtree containing (T0187)D115 jump= -0.551098 -0.230911 -0.0159732 -0.801696 -141.729 283.059 22.2988 # jumping subtree containing (T0187)L131 jump= -0.466069 -0.608645 -0.563715 -0.307498 -208.193 228.57 5.20936 # jumping subtree containing (T0187)D115 jump= 0.231091 -0.307168 -0.848369 -0.364026 -308.804 59.1121 160.654 # jumping subtree containing (T0187)A180 jump= -0.561612 -0.557209 -0.220419 -0.570548 -116.762 249.362 35.5799 # jumping subtree containing (T0187)T236 jump= 2.56135e-05 -0.638658 -0.537492 -0.550652 -245.257 226.074 93.9762 # generation 96: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 232 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1831 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= 0.520362 -0.0962096 0.820925 0.214591 -246.139 -1.42722 -106.162 # jumping subtree containing (T0187)T236 jump= -0.227633 0.954177 0.045397 -0.188861 6.4957 170.027 62.2438 # jumping subtree containing (T0187)T236 jump= -0.0295022 -0.806225 0.590322 0.0255259 -3.50756 -45.034 42.63 # Removing break moved up 3 to before 72 # jumping subtree containing (T0187)P237 jump= 0.403531 0.655687 -0.457918 0.444463 -57.0546 104.758 146.651 # jumping subtree containing (T0187)G171 jump= 0.849877 0.17178 -0.44374 0.226484 -18.6203 63.7554 133.058 # jumping subtree containing (T0187)T236 jump= 0.558151 0.117841 0.0425716 0.820225 -121.61 263.84 -24.6068 # jumping subtree containing (T0187)T236 jump= -0.952455 0.231409 0.13454 -0.145528 -4.24989 36.3876 60.1711 # jumping subtree containing (T0187)T236 jump= -0.880499 0.183252 0.192022 0.39277 -132.449 -82.1754 91.0001 # jumping subtree containing (T0187)T236 jump= 0.996036 -0.0793007 0.0278964 -0.0290629 -7.79627 -24.6542 -9.31977 # jumping subtree containing (T0187)T236 jump= 0.741453 0.286959 -0.342497 -0.500597 -145.654 -75.9332 -7.75641 # jumping subtree containing (T0187)T236 jump= 0.368305 0.600024 0.672097 0.229365 -242.073 230.57 -53.0598 # jumping subtree containing (T0187)D115 jump= 0.62664 -0.447411 0.635305 -0.0594487 -122.967 -105.612 -6.56105 # generation 97: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 237 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1850 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V228 jump= 0.11557 -0.0732645 -0.585587 -0.798977 -303.725 49.4048 -25.3501 # jumping subtree containing (T0187)T236 jump= -0.742197 -0.166412 -0.649143 -0.00795055 -169.05 34.9284 -151.83 # jumping subtree containing (T0187)V228 jump= -0.872579 0.454299 -0.105264 0.145388 -56.885 -34.8794 69.8029 # jumping subtree containing (T0187)P205 jump= -0.999129 -0.0407887 -0.00329145 0.00811374 -21.409 8.69691 -9.7655 # jumping subtree containing (T0187)P91 jump= -0.862277 -0.43524 -0.151029 -0.210322 -32.3769 118.625 -52.0136 # jumping subtree containing (T0187)W204 jump= -0.566368 -0.801984 0.189843 -0.00286949 10.5523 84.6315 -12.0834 # jumping subtree containing (T0187)T236 jump= 0.360109 0.238249 -0.796694 -0.422892 -217.807 -89.5291 6.35001 # jumping subtree containing (T0187)W204 jump= 0.982411 0.112355 -0.0919977 0.117394 19.2974 38.6851 -0.0969057 # jumping subtree containing (T0187)D115 jump= -0.034474 0.86445 -0.497726 -0.061695 -13.9691 -15.5442 83.063 # jumping subtree containing (T0187)A180 jump= 0.301516 -0.360938 -0.2193 0.854821 -217.312 232.951 -25.6334 # jumping subtree containing (T0187)E156 jump= 0.867678 -0.211941 -0.247226 -0.375626 -137.895 -63.9563 99.2094 # jumping subtree containing (T0187)T236 jump= -0.540174 -0.174429 0.190399 0.800958 -259.765 -42.5938 -58.0858 # jumping subtree containing (T0187)T236 jump= -0.981522 -0.175257 0.0478333 0.0600964 -9.64276 -4.7858 3.61264 # Removing break before 40 # generation 98: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 240 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1871 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R103 jump= 0.955763 0.0367732 -0.0760641 -0.281743 -27.4048 -76.8311 14.2473 # jumping subtree containing (T0187)T236 jump= -0.48776 -0.141028 0.596669 -0.621439 -113.453 150.894 195.081 # jumping subtree containing (T0187)E156 jump= 0.456497 -0.403984 0.343139 0.714607 -77.9385 146.428 -147.237 # jumping subtree containing (T0187)L131 jump= 0.388152 0.6301 0.492691 0.457785 -204.681 255.781 18.1804 # jumping subtree containing (T0187)G171 jump= 0.178552 0.0546187 0.801797 -0.567677 -328.613 52.4842 83.0066 # jumping subtree containing (T0187)D109 jump= -0.853363 -0.278627 -0.357059 0.258161 -131.653 14.5594 -98.8237 # jumping subtree containing (T0187)A180 jump= -0.509261 0.46559 -0.542856 -0.478735 -106.615 45.8825 -121.965 # jumping subtree containing (T0187)R103 jump= 0.914978 -0.0646813 -0.114047 -0.381609 -99.9975 -117.588 54.2696 # jumping subtree containing (T0187)D115 jump= 0.62581 0.739375 0.22661 0.101659 -44.0417 210.878 -51.3216 # jumping subtree containing (T0187)V228 jump= 0.875702 0.304183 0.239713 0.288367 -52.8444 117.559 -73.3669 # jumping subtree containing (T0187)R103 jump= 0.941297 -0.143806 0.134772 0.274073 -9.74829 44.3206 -28.8308 # jumping subtree containing (T0187)I232 jump= -0.39168 0.421268 -0.285331 -0.76662 -88.107 156.076 -126.09 # jumping subtree containing (T0187)E156 jump= 0.975739 0.0218498 -0.0623305 0.208739 30.7039 56.4445 4.04273 # generation 99: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 244 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1891 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.0769191 -0.773197 0.402877 0.483674 -38.7494 35.2035 -70.7158 # jumping subtree containing (T0187)G170 jump= 0.217765 -0.813168 -0.182338 0.508025 -79.2954 206.499 -31.2484 # jumping subtree containing (T0187)A180 jump= 0.465266 0.446356 0.76223 0.0574406 -294.914 166.299 -59.0905 # jumping subtree containing (T0187)T236 jump= -0.0712243 0.33022 0.210968 -0.917265 -220.402 211.426 -14.5478 # generation 100: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 250 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1909 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K150 jump= -0.52835 -0.687063 0.0391467 0.497251 -87.7699 87.4057 -129.529 # Removing break before 40 # jumping subtree containing (T0187)D115 jump= 0.17559 0.798718 -0.326705 0.473794 -83.5388 135.347 234.617 # jumping subtree containing (T0187)T236 jump= 0.220645 -0.372771 0.761106 -0.482779 -214.504 -52.3529 138.034 # jumping subtree containing (T0187)T236 jump= -0.192967 -0.956228 -0.188925 0.112693 -43.1633 248.13 -18.703 # jumping subtree containing (T0187)D115 jump= 0.662112 0.06923 -0.0139836 -0.74607 -262.362 -64.2354 -22.0054 # jumping subtree containing (T0187)G171 jump= 0.95995 0.0721157 -0.210771 0.169913 31.3093 53.8375 69.7004 # jumping subtree containing (T0187)L131 jump= -0.969736 -0.0635218 -0.204071 -0.118031 -20.7832 23.3858 -67.4529 # jumping subtree containing (T0187)V228 jump= -0.741321 -0.245069 -0.249435 0.572858 -216.931 1.80436 -92.2381 # jumping subtree containing (T0187)K150 jump= -0.867243 0.156806 -0.47196 0.0235596 -89.2526 -19.6131 -59.0155 # generation 101: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 255 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1928 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q110 jump= 0.507837 -0.495927 0.00559591 0.704363 -46.3887 208.404 -63.3845 # jumping subtree containing (T0187)E140 jump= -0.373229 -0.435006 0.814954 -0.0855596 -114.308 -30.2295 203.358 # jumping subtree containing (T0187)E156 jump= 0.935936 0.103141 0.31088 -0.129382 -78.5863 0.897326 -91.85 # jumping subtree containing (T0187)V108 jump= 0.0187347 -0.00293417 -0.953215 -0.301699 -309.121 -12.9244 67.7934 # jumping subtree containing (T0187)P91 jump= 0.987071 -0.0397728 0.152921 -0.02692 -27.4763 -6.80331 -31.9388 # jumping subtree containing (T0187)I232 jump= -0.999213 -0.0309432 -0.0244059 0.00453458 -0.230788 -18.8072 -6.70256 # jumping subtree containing (T0187)T236 jump= -0.217902 -0.230368 -0.863602 -0.391971 -278.961 98.8376 -61.3992 # jumping subtree containing (T0187)T236 jump= -0.882028 0.360353 -0.133964 0.272446 -76.0092 -35.2326 70.3044 # jumping subtree containing (T0187)T236 jump= -0.368628 0.585816 0.450694 0.563744 -260.964 113.243 156.255 # jumping subtree containing (T0187)T236 jump= -0.637367 -0.524258 0.342819 -0.448767 -12.8504 161.864 103.555 # jumping subtree containing (T0187)T236 jump= -0.995997 -0.0816265 0.00887878 0.0353289 -10.8724 14.8877 3.53977 # generation 102: best score out of 40: T0187.try1-al4-scwrl 67.9958 cost/residue, 196 clashes 0.05238 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 260 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1947 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V108 jump= 0.73197 -0.102892 -0.666217 0.0989363 -88.6443 38.536 206.236 # jumping subtree containing (T0187)I155 jump= -0.996108 -0.0142835 -0.0179154 0.0851086 -15.3065 -51.56 -13.8026 # jumping subtree containing (T0187)A180 jump= 0.660548 -0.640745 0.387399 0.0551725 -29.4153 -78.8919 24.0317 # jumping subtree containing (T0187)A180 jump= 0.347047 0.796142 -0.462616 0.178053 -13.6568 50.4586 140.167 # jumping subtree containing (T0187)T236 jump= -0.899816 0.420896 0.10017 0.0560757 -8.51211 -12.1503 113.829 # jumping subtree containing (T0187)G171 jump= -0.660727 0.410679 0.19075 -0.598663 -65.8571 214.717 38.1413 # generation 103: best score out of 40: T0187.try1-al4-scwrl 67.9886 cost/residue, 200 clashes 0.056177 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 261 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 272 ## OptSubtree 1969 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D115 jump= 0.65189 -0.296435 -0.418613 0.558505 -76.2883 213.783 123.982 # jumping subtree containing (T0187)P91 jump= 0.505233 0.0263934 0.0941104 -0.85743 -304.334 -53.6139 -7.17554 # jumping subtree containing (T0187)K150 jump= 0.997299 -0.00371706 -0.0608621 0.0409363 -2.5232 36.7033 23.3528 # jumping subtree containing (T0187)V228 jump= 0.353612 0.715915 0.0883435 0.5955 -106.005 208.602 95.9442 # jumping subtree containing (T0187)A180 jump= 0.99883 0.0178273 0.0100557 0.0438237 27.016 22.4611 4.31 # jumping subtree containing (T0187)T236 jump= -0.707152 -0.21133 0.0131934 -0.674612 -54.0207 234.33 -1.58989 # jumping subtree containing (T0187)D115 jump= 0.84189 -0.136475 -0.0333517 0.521042 -26.5691 177.753 8.56731 # jumping subtree containing (T0187)T236 jump= -0.077221 -0.618308 -0.365037 0.691722 -209.688 217.522 -58.6003 # jumping subtree containing (T0187)T236 jump= 0.567098 0.450769 0.103706 0.681507 -111.816 240.492 44.7104 # jumping subtree containing (T0187)T236 jump= 0.814754 -0.140054 0.152476 0.541583 0.818864 178.759 -65.1066 # jumping subtree containing (T0187)V108 jump= 0.0727908 0.206064 -0.115072 0.969019 -287.06 182.355 105.875 # generation 104: best score out of 40: T0187.try1-al4-scwrl 67.9886 cost/residue, 200 clashes 0.056177 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 262 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 273 ## OptSubtree 1991 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= 0.999996 0.00145193 -0.00224868 -8.44485e-05 25.8667 1.67172 -7.34937 # jumping subtree containing (T0187)A180 jump= 0.152697 -0.307094 -0.547526 -0.763278 -362.43 66.1096 97.0394 # jumping subtree containing (T0187)T236 jump= -0.91591 0.121295 0.212967 -0.31787 18.7179 88.0765 92.6774 # jumping subtree containing (T0187)D115 jump= 0.981215 -0.160412 -0.0551134 -0.0919146 -23.4201 -50.7411 60.1874 # jumping subtree containing (T0187)D115 jump= 0.996263 0.00182037 0.0834135 0.022319 -22.9319 15.6898 -2.24115 # jumping subtree containing (T0187)T116 jump= -0.207104 -0.441533 0.747124 -0.451622 -186.676 30.4252 235.562 # jumping subtree containing (T0187)K150 jump= 0.00186054 0.45754 -0.596306 0.6596 -211.583 84.528 236.364 # generation 105: best score out of 40: T0187.try1-al4-scwrl 67.9886 cost/residue, 200 clashes 0.056177 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 264 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 273 ## OptSubtree 2021 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E218 jump= -0.860641 -0.254571 -0.250243 0.363138 -130.685 -12.6635 -84.9455 # jumping subtree containing (T0187)T236 jump= -0.822956 -0.293559 -0.425932 0.234837 -128.659 18.506 -139.385 # jumping subtree containing (T0187)D115 jump= 0.752856 0.30633 -0.347396 -0.467638 -110.927 -69.0424 -26.6641 # jumping subtree containing (T0187)T236 jump= -0.434003 0.701786 0.275832 -0.493005 -65.3654 252.763 47.391 # jumping subtree containing (T0187)E218 jump= -0.606357 0.5315 0.547671 0.223372 -138.534 53.8535 188.979 # jumping subtree containing (T0187)T236 jump= 0.0641971 -0.227783 -0.559776 -0.794131 -318.966 98.6551 27.4308 # jumping subtree containing (T0187)E140 jump= -0.556936 0.20648 0.164493 0.787483 -303.037 -20.4431 99.957 # jumping subtree containing (T0187)P91 jump= -0.847984 -0.0886804 0.473234 0.221603 -68.193 -90.471 130.794 # jumping subtree containing (T0187)E218 jump= 0.748399 -0.392433 0.511352 -0.156251 -99.0007 -78.152 1.67137 # jumping subtree containing (T0187)L131 jump= -0.773272 0.374474 -0.0104334 0.511577 -167.61 -110.215 121.458 # jumping subtree containing (T0187)T236 jump= 0.962688 -0.195234 0.18273 -0.0415345 -6.52892 -14.4855 3.80437 # jumping subtree containing (T0187)T160 jump= 0.994571 -0.0295334 -0.0858898 -0.050788 -23.1268 -19.3815 15.0435 # jumping subtree containing (T0187)K150 jump= -0.79652 0.353761 0.0162047 0.490047 -163.212 -81.2911 96.6144 # jumping subtree containing (T0187)I141 jump= -0.683306 0.195856 -0.0835007 -0.698399 -62.5419 212.465 -44.1785 # jumping subtree containing (T0187)D115 jump= 0.99516 -0.00364169 -0.0892498 0.0409647 -2.30743 0.83392 39.3848 # generation 106: best score out of 40: T0187.try1-al4-scwrl 67.9886 cost/residue, 200 clashes 0.056177 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 268 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 273 ## OptSubtree 2041 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K150 jump= 0.844478 0.250805 -0.454643 -0.131356 -35.9793 -18.3243 80.0524 # jumping subtree containing (T0187)D109 jump= -0.324522 0.559374 0.69205 -0.320707 -200.746 209.431 157.098 # jumping subtree containing (T0187)D115 jump= -0.999991 0.00147971 0.0039596 -0.000905691 9.91525 13.495 -15.1015 # jumping subtree containing (T0187)L131 jump= -0.987242 0.00635812 -0.151176 -0.0495852 -35.1024 -3.19517 -41.8596 # jumping subtree containing (T0187)A180 jump= -0.847987 -0.338942 -0.393298 0.106548 -103.494 42.1286 -126.681 # jumping subtree containing (T0187)E211 jump= 0.931816 -0.288054 0.201082 0.0911555 -2.72237 -22.2723 -3.00247 # Removing break before 40 # jumping subtree containing (T0187)K150 jump= 0.557625 0.688219 -0.309788 0.345602 -8.33193 159.92 116.457 # jumping subtree containing (T0187)Q234 jump= 0.00580587 0.672583 0.119663 0.730259 -190.005 197.206 149.276 # jumping subtree containing (T0187)T236 jump= 0.996948 -0.0568099 -0.00551355 -0.0532594 -13.3438 0.60033 14.5308 # jumping subtree containing (T0187)K150 jump= 0.519757 -0.293306 -0.673745 -0.435766 -285.253 11.9969 183.068 # jumping subtree containing (T0187)E218 jump= 0.991601 0.10433 0.0215218 -0.0733426 -19.4475 -13.0621 -16.32 # generation 107: best score out of 40: T0187.try1-al4-scwrl 67.9886 cost/residue, 200 clashes 0.056177 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 274 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 273 ## OptSubtree 2059 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I141 jump= 0.944292 0.264778 0.0983573 0.168912 25.1196 97.0007 -47.8748 # jumping subtree containing (T0187)T236 jump= 0.617431 0.497835 0.598308 0.113869 -173.306 138.528 -128.151 # jumping subtree containing (T0187)G171 jump= -0.938105 0.0272882 -0.0522513 0.341296 -76.3498 -100.102 13.1046 # jumping subtree containing (T0187)G171 jump= 0.717503 0.074445 -0.624329 -0.299768 -135.075 -90.902 128.701 # Removing break before 40 # jumping subtree containing (T0187)T236 jump= 0.952241 0.163899 -0.153102 -0.207205 -15.0761 -53.5373 0.0255303 # jumping subtree containing (T0187)L131 jump= -0.967763 0.0166907 -0.208544 -0.140231 -1.65864 28.497 -47.0536 # jumping subtree containing (T0187)I141 jump= 0.996201 -0.0740505 0.0446795 0.0101408 14.45 -21.207 -15.6318 # jumping subtree containing (T0187)L131 jump= 0.519067 -0.827192 0.0999159 -0.190629 -54.5402 22.748 163.117 # jumping subtree containing (T0187)G125 jump= -0.908397 0.247508 0.297649 -0.157986 -18.4006 57.1082 116.518 # jumping subtree containing (T0187)D115 jump= -0.997541 -0.0233088 0.0382582 -0.0538896 15.7648 41.1098 26.4711 # jumping subtree containing (T0187)G171 jump= 0.0875435 0.991155 -0.0521705 -0.0850031 28.2163 135.931 69.8581 # jumping subtree containing (T0187)A180 jump= 0.800457 -0.0194914 0.598389 -0.0286186 -151.435 -23.1154 -123.653 # jumping subtree containing (T0187)K150 jump= -0.398821 0.800654 -0.099852 0.435803 -97.5004 45.5036 231.972 # Removing break before 80 # generation 108: best score out of 40: T0187.try1-al4-scwrl 67.9885 cost/residue, 200 clashes 0.056177 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 278 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 273 ## OptSubtree 2079 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= 0.795083 -0.330393 0.194401 0.469991 -7.11627 100.779 -67.1231 # jumping subtree containing (T0187)E218 jump= -0.539152 0.269731 -0.377046 -0.703133 -102.224 107.053 -118.444 # jumping subtree containing (T0187)G171 jump= -0.999556 0.00167207 -0.0259777 -0.0144818 -7.98966 11.5183 -9.53862 # jumping subtree containing (T0187)E211 jump= -0.269949 0.490714 0.708433 -0.429477 -197.33 231.641 124.145 # Removing break before 40 # jumping subtree containing (T0187)D115 jump= -0.922258 0.373003 -0.0458482 -0.0905888 8.31518 -2.36508 28.5846 # jumping subtree containing (T0187)I141 jump= 0.827441 0.444499 0.293748 0.177408 -47.1397 173.93 -84.9261 # jumping subtree containing (T0187)A180 jump= -0.266447 0.242972 -0.10556 0.92673 -339.55 36.6361 97.0409 # jumping subtree containing (T0187)D115 jump= 0.033731 0.313916 -0.851895 0.417844 -260.652 -9.27564 204.818 # jumping subtree containing (T0187)T236 jump= 0.979377 -0.165745 0.103479 0.0514024 -5.75209 -9.2874 -11.5952 # jumping subtree containing (T0187)G171 jump= -0.923191 -0.264845 0.0444347 -0.274957 10.9344 129.595 -8.42373 # jumping subtree containing (T0187)I158 jump= 0.899986 0.409951 -0.0046177 -0.148136 -27.4814 20.5174 -65.052 # generation 109: best score out of 40: T0187.try1-al4-scwrl 67.9885 cost/residue, 200 clashes 0.056177 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 280 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 273 ## OptSubtree 2101 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E218 jump= 0.422219 -0.43271 -0.68277 0.410267 -125.428 172.225 181.076 # jumping subtree containing (T0187)V117 jump= -0.473239 -0.315049 0.596384 -0.56667 -136.16 168.013 233.703 # Removing break before 40 # jumping subtree containing (T0187)G171 jump= 0.208832 0.368877 0.534641 0.73108 -310.999 184.823 26.3844 # jumping subtree containing (T0187)G171 jump= 0.882139 0.336401 -0.275982 -0.180275 -11.2208 -21.9173 23.6891 # jumping subtree containing (T0187)G171 jump= 0.980414 0.00183974 0.196439 0.0140123 -49.1795 -0.0224552 -73.8712 # jumping subtree containing (T0187)R103 jump= 0.52997 0.756534 0.221991 0.312264 -91.9453 203.125 87.6027 # jumping subtree containing (T0187)G171 jump= 0.923819 0.120597 0.0585197 0.358595 -22.225 131.794 -21.037 # Removing break before 40 # jumping subtree containing (T0187)D109 jump= -0.284179 -0.0557099 -0.920562 0.262116 -321.133 21.8302 21.2385 # generation 110: best score out of 40: T0187.try1-al4-scwrl 67.9885 cost/residue, 200 clashes 0.056177 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 281 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 273 ## OptSubtree 2124 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= 0.44086 -0.302909 -0.788664 0.303148 -182.905 148.549 216.072 # jumping subtree containing (T0187)G171 jump= 0.574607 0.656045 0.477176 0.108325 -164.705 211.575 -13.7121 # jumping subtree containing (T0187)D109 jump= 0.978061 0.175406 -0.00376562 -0.112314 -3.43909 20.6896 -23.9622 # jumping subtree containing (T0187)E218 jump= 0.659966 0.160797 0.0709868 -0.730445 -182.464 -48.4158 -21.5575 # jumping subtree containing (T0187)Y220 jump= 0.910656 0.28671 0.0452022 -0.29404 -46.5856 1.31977 -53.0416 # jumping subtree containing (T0187)D115 jump= -0.873219 -0.430446 -0.193363 0.121716 -59.578 58.1558 -60.6699 # Removing break before 40 # jumping subtree containing (T0187)D115 jump= 0.843823 0.0799328 0.432204 0.307852 -104.884 94.6087 -96.6028 # jumping subtree containing (T0187)G171 jump= -0.997575 -0.00898733 -0.00695342 -0.0686634 -1.16307 33.9353 -17.7187 # jumping subtree containing (T0187)W204 jump= -0.00438526 -0.145197 -0.876018 -0.459881 -258.957 18.6109 20.7917 # jumping subtree containing (T0187)E156 jump= -0.63706 -0.704924 -0.311684 0.00942824 -68.7765 172.07 -44.7977 # jumping subtree containing (T0187)I141 jump= -0.801521 0.144239 -0.0745962 -0.575496 -17.0644 153.21 -14.8142 # jumping subtree containing (T0187)L149 jump= -0.999688 0.0137172 -0.0205145 0.00382203 5.55927 -21.4097 8.26591 # jumping subtree containing (T0187)K150 jump= -0.508517 0.240604 0.446549 -0.695783 -82.437 216.661 117.51 # jumping subtree containing (T0187)G171 jump= -0.985573 0.134116 -0.0895931 -0.0513119 -28.4705 -4.01567 -7.60492 # generation 111: best score out of 40: T0187.try1-al4-scwrl 67.9884 cost/residue, 200 clashes 0.056177 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 284 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 273 ## OptSubtree 2145 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= -0.222459 -0.523122 -0.594102 0.56912 -236.468 178.7 -26.0496 # jumping subtree containing (T0187)D115 jump= 0.740477 0.190814 -0.07422 0.640137 -56.9896 201.208 30.0998 # jumping subtree containing (T0187)E218 jump= 0.0875433 -0.0636581 -0.401468 0.909454 -255.139 184.253 65.9446 # jumping subtree containing (T0187)I155 jump= 0.0384664 0.925991 0.00359525 -0.375564 -15.3089 145.36 8.24754 # jumping subtree containing (T0187)E218 jump= 0.873707 -0.0267529 -0.438552 -0.208788 -36.7355 -36.5915 133.791 # jumping subtree containing (T0187)E211 jump= 0.312356 0.653221 0.576874 0.37809 -191.877 171.217 44.4229 # jumping subtree containing (T0187)L131 jump= 0.753838 0.595291 -0.0719691 -0.26866 -3.62119 55.8534 -15.7679 # jumping subtree containing (T0187)D115 jump= -0.998746 -0.0494151 0.00474388 -0.00642778 -4.55004 -7.59692 15.2649 # jumping subtree containing (T0187)R103 jump= 0.0742817 -0.531238 -0.838256 0.0979564 -254.947 168.453 133.13 # jumping subtree containing (T0187)V108 jump= -0.615259 -0.209431 0.0385382 -0.759019 -102.061 236.093 48.6307 # jumping subtree containing (T0187)D115 jump= 0.490202 -0.587446 0.60382 0.223629 -72.1471 -77.0547 16.3764 # jumping subtree containing (T0187)H239 jump= 0.795844 0.570622 -0.00663159 -0.202432 -21.5981 35.9303 -30.2123 # jumping subtree containing (T0187)E218 jump= 0.974743 -0.0420478 0.158455 0.15166 -8.77715 41.0757 -12.1062 # generation 112: best score out of 40: T0187.try1-al4-scwrl 67.9884 cost/residue, 200 clashes 0.056177 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 288 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 273 ## OptSubtree 2165 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= 0.471146 -0.54747 -0.0500053 0.68978 -35.9677 156.384 -36.6523 # jumping subtree containing (T0187)G171 jump= -0.537595 -0.289214 0.452112 -0.65034 -133.393 195.479 182.868 # jumping subtree containing (T0187)T236 jump= -0.0707484 -0.46886 -0.738943 0.478674 -250.748 159.4 48.2255 # jumping subtree containing (T0187)D109 jump= -0.248558 -0.693782 0.668935 0.0970149 -63.168 -71.1157 144.859 # jumping subtree containing (T0187)I141 jump= -0.979725 0.178335 -0.0371455 0.0833999 -4.21594 -49.0977 39.1942 # jumping subtree containing (T0187)T236 jump= -0.598114 0.206399 0.156024 0.758495 -238.13 -42.2379 84.0351 # jumping subtree containing (T0187)R103 jump= 0.998677 0.0367927 0.0236601 -0.0270175 7.41167 17.3693 -18.1717 # jumping subtree containing (T0187)I155 jump= -0.579008 0.441624 0.652638 -0.209238 -111.464 126.814 208.615 # jumping subtree containing (T0187)E218 jump= 0.922446 -0.108905 -0.054757 -0.366381 -68.4044 -71.6696 10.6576 # generation 113: best score out of 40: T0187.try1-al4-scwrl 67.9884 cost/residue, 200 clashes 0.056177 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 291 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 273 ## OptSubtree 2190 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.99779 -0.0493439 -0.0443344 0.00372194 11.1844 3.2543 -2.42645 # jumping subtree containing (T0187)R103 jump= 0.99986 -0.00600899 -0.00451211 0.014942 -17.371 5.68503 14.605 # jumping subtree containing (T0187)E218 jump= -0.511777 -0.154811 0.224663 0.814644 -181.433 -78.7574 -23.9572 # jumping subtree containing (T0187)G171 jump= -0.25593 -0.465872 0.638058 -0.557086 -167.77 79.1069 215.994 # jumping subtree containing (T0187)P91 jump= 0.119397 -0.0942496 -0.937233 0.313777 -310.372 98.9692 186.531 # jumping subtree containing (T0187)T236 jump= -0.0581378 -0.442904 0.340502 0.827354 -158.52 17.4743 -90.8434 # jumping subtree containing (T0187)E218 jump= -0.964688 -0.0218179 -0.0986073 -0.243266 -23.2175 74.0249 -31.9364 # jumping subtree containing (T0187)R103 jump= 0.498248 0.789601 -0.106248 0.34204 -13.6506 170.299 140.03 # jumping subtree containing (T0187)T160 jump= 0.199269 -0.208408 0.196125 -0.937226 -317.555 92.7761 75.4224 # generation 114: best score out of 40: T0187.try1-al4-scwrl 67.9884 cost/residue, 200 clashes 0.056177 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 294 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 273 ## OptSubtree 2211 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D115 jump= -0.594977 0.158317 -0.329254 0.715912 -279.429 -32.1462 41.5208 # jumping subtree containing (T0187)K150 jump= -0.189417 0.920961 0.180161 -0.288953 -25.0746 166.928 71.035 # jumping subtree containing (T0187)E218 jump= 0.675293 0.734179 0.0491659 0.0504292 -14.7659 166.342 4.39656 # jumping subtree containing (T0187)Q110 jump= -0.289161 0.643952 -0.0595541 0.705808 -211.081 36.6652 190.23 # jumping subtree containing (T0187)R103 jump= 0.480372 0.829492 0.162821 -0.233827 -57.0888 155.024 -33.6167 # jumping subtree containing (T0187)W204 jump= -0.823382 0.0152771 -0.496997 0.273502 -126.914 -45.0898 -58.2537 # jumping subtree containing (T0187)E218 jump= -0.901222 0.162541 -0.376261 0.14074 -87.582 -42.436 -59.4439 # jumping subtree containing (T0187)I232 jump= -0.854629 -0.408084 -0.0667742 0.314034 -46.4229 -18.796 -75.5466 # jumping subtree containing (T0187)P91 jump= -0.53108 0.0407031 -0.131038 -0.836137 -198.411 190.751 -34.8703 # jumping subtree containing (T0187)D115 jump= 0.811892 -0.313519 0.204415 0.448053 -5.50626 68.6957 -63.3461 # jumping subtree containing (T0187)K150 jump= -0.458731 0.813296 -0.337168 0.120142 -31.5056 -34.1338 146.082 # jumping subtree containing (T0187)E218 jump= -0.618665 -0.06623 0.0641487 -0.780226 -119.146 208.251 16.2513 # jumping subtree containing (T0187)T236 jump= 0.917013 0.233605 0.0247816 0.322337 -11.7489 110.547 10.1501 # jumping subtree containing (T0187)E218 jump= -0.68698 0.00154573 0.501613 0.525776 -139.251 -121.741 87.0199 # jumping subtree containing (T0187)E218 jump= -0.652689 0.639189 0.185321 0.362064 -74.2095 -47.5612 192.195 # jumping subtree containing (T0187)T160 jump= -0.985445 -0.0731822 -0.149935 0.0325819 -18.3009 0.216578 -53.936 # jumping subtree containing (T0187)T160 jump= -0.937217 -0.0200008 -0.294565 -0.185626 -25.7488 52.5098 -57.2023 # jumping subtree containing (T0187)V228 jump= -0.104359 0.0340958 -0.237298 -0.965213 -243.028 71.3375 -27.7092 # generation 115: best score out of 40: T0187.try1-al4-scwrl 67.9883 cost/residue, 200 clashes 0.0561767 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 296 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 273 ## OptSubtree 2233 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= 0.317001 -0.352494 0.143582 0.868701 -158.328 119.417 -103.613 # jumping subtree containing (T0187)T160 jump= 0.968211 0.249246 0.00189911 0.0209838 20.3848 59.2074 -10.3342 # jumping subtree containing (T0187)E218 jump= 0.992668 0.0164383 -0.100844 0.0645755 2.03728 45.0079 34.2101 # jumping subtree containing (T0187)D109 jump= 0.874083 0.366546 -0.318784 0.00074276 12.1915 24.4948 83.2565 # jumping subtree containing (T0187)E218 jump= 0.508677 -0.792493 -0.325735 0.0842617 -31.2601 102.421 137.78 # jumping subtree containing (T0187)I141 jump= -0.492505 -0.468802 -0.672836 0.291471 -235.033 135.139 -26.624 # jumping subtree containing (T0187)I232 jump= -0.973047 0.120495 -0.0880434 0.175809 -55.5048 -72.3799 14.44 # Removing break before 40 # jumping subtree containing (T0187)D109 jump= 0.762959 -0.40986 -0.497608 -0.0478953 -27.0957 4.76894 219.669 # jumping subtree containing (T0187)E218 jump= -0.997822 -0.0398988 -0.0301415 0.0430287 -11.5255 12.9993 -28.2809 # jumping subtree containing (T0187)E218 jump= 0.231784 0.624753 -0.336446 0.665405 -155.297 129.493 217.845 # jumping subtree containing (T0187)A203 jump= 0.959432 -0.263169 -0.0995053 -0.0181779 -7.81569 -22.0666 74.2497 # jumping subtree containing (T0187)E218 jump= 0.579648 -0.0591678 0.248958 -0.773645 -230.905 -17.5967 -0.213091 # jumping subtree containing (T0187)I141 jump= 0.999081 -0.00029001 -0.0279831 0.0324759 19.4103 29.7191 5.33321 # jumping subtree containing (T0187)D115 jump= 0.998505 -0.0475996 0.0253637 0.00882602 8.25891 7.14825 -1.88085 # jumping subtree containing (T0187)E211 jump= -0.18658 0.421688 -0.732837 -0.500317 -130.284 -43.0757 -22.3367 # jumping subtree containing (T0187)W204 jump= -0.917729 -0.12654 0.33955 0.162687 -17.7374 -47.1819 77.4026 # jumping subtree containing (T0187)K150 jump= -0.997916 0.0127265 0.0226716 0.0590587 -23.2149 -0.719774 16.9687 # generation 116: best score out of 40: T0187.try1-al4-scwrl 67.9883 cost/residue, 200 clashes 0.0561767 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 300 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 273 ## OptSubtree 2253 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E211 jump= 0.565278 0.394464 0.699888 -0.187124 -226.667 111.209 -65.1771 # jumping subtree containing (T0187)E218 jump= -0.16609 -0.743261 0.606174 0.229195 -16.3241 -75.7883 76.8268 # jumping subtree containing (T0187)Y220 jump= 0.981715 -0.178388 0.0663206 0.00389677 -12.432 -7.17575 8.91801 # jumping subtree containing (T0187)L131 jump= -0.91779 0.128566 0.323811 0.190468 -8.62819 -44.3322 103.891 # jumping subtree containing (T0187)E218 jump= -0.559716 -0.178498 -0.77498 0.232943 -326.119 35.1315 -73.8279 # jumping subtree containing (T0187)P91 jump= -0.994354 0.0955531 -0.0194299 -0.0418511 -2.08969 15.0438 -17.1987 # jumping subtree containing (T0187)I158 jump= -0.927919 -0.073262 -0.283041 -0.231274 -47.6755 60.9571 -55.0591 # jumping subtree containing (T0187)D115 jump= 0.805659 0.135808 0.506292 0.275931 -152.42 122.747 -109.999 # jumping subtree containing (T0187)K150 jump= 0.959575 0.12249 -0.00797537 -0.253275 -52.5163 -19.4443 -10.5331 # jumping subtree containing (T0187)W204 jump= -0.642344 -0.10299 0.703727 0.285578 -163.503 -93.4348 172.198 # jumping subtree containing (T0187)T160 jump= 0.999997 0.00142632 0.000121088 -0.00186299 -1.71906 24.3412 3.4002 # jumping subtree containing (T0187)D115 jump= -0.473515 0.00816753 -0.387976 -0.790691 -176.775 131.076 -71.0858 # generation 117: best score out of 40: T0187.try1-al4-scwrl 67.9876 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 303 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2273 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E211 jump= -0.410025 0.577991 0.676102 -0.20172 -92.3185 152.165 180.162 # jumping subtree containing (T0187)A180 jump= 0.993509 0.00118833 0.019947 -0.11198 -33.2372 -3.35456 -14.6706 # jumping subtree containing (T0187)E218 jump= 0.154216 0.29099 -0.839135 0.432891 -257.709 19.9482 233.234 # jumping subtree containing (T0187)G171 jump= -0.978527 -0.0200169 -0.134761 -0.154672 -13.9393 50.0977 -52.8311 # jumping subtree containing (T0187)R103 jump= 0.438743 -0.18188 0.386952 -0.790375 -341.064 8.55511 66.4955 # jumping subtree containing (T0187)T160 jump= -0.553793 -0.706836 0.394184 -0.195743 8.52395 75.6616 131.885 # jumping subtree containing (T0187)E218 jump= 0.424926 0.616798 -0.367949 0.55101 -108.006 149.725 236.236 # jumping subtree containing (T0187)K150 jump= -0.951316 -0.0715364 -0.185569 0.235468 -87.5214 -31.2572 -58.0572 # jumping subtree containing (T0187)W204 jump= -0.999819 -0.00503131 0.0102694 0.0152024 6.17374 -11.7095 8.09301 # jumping subtree containing (T0187)V228 jump= 0.868396 -0.127197 0.275149 0.392432 -42.2161 123.297 -103.481 # jumping subtree containing (T0187)E218 jump= 0.851792 -0.224617 -0.393841 -0.262462 -81.0409 -62.0977 162.373 # jumping subtree containing (T0187)I158 jump= 0.930125 -0.19314 -0.265003 -0.165343 -44.0413 -52.7173 105.647 # jumping subtree containing (T0187)E218 jump= -0.747245 -0.198669 -0.608164 0.179698 -180.813 24.017 -62.8327 # jumping subtree containing (T0187)Y220 jump= 0.60972 0.677312 0.36024 -0.199294 -105.366 177.342 -76.3356 # generation 118: best score out of 40: T0187.try1-al4-scwrl 67.9876 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 306 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2294 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E218 jump= 0.484863 0.831887 -0.187406 -0.194296 16.5145 82.3822 41.2397 # jumping subtree containing (T0187)E218 jump= -0.0871431 0.0174966 0.89522 -0.43667 -306.037 118.692 198.565 # jumping subtree containing (T0187)I158 jump= -0.227645 0.680695 0.379823 0.583582 -254.95 124.047 205.968 # jumping subtree containing (T0187)D115 jump= -0.927003 0.166431 -0.0753938 -0.327539 15.9317 64.5364 -32.7382 # jumping subtree containing (T0187)L131 jump= -0.780753 0.563387 -0.223745 -0.151518 -10.4613 -5.30029 39.3503 # jumping subtree containing (T0187)I232 jump= 0.850287 0.439796 -0.156655 -0.243002 -0.752899 -4.43949 -8.69044 # jumping subtree containing (T0187)V108 jump= -0.793201 -0.343353 -0.38702 0.32118 -181.961 34.3705 -111.603 # jumping subtree containing (T0187)D115 jump= 0.87869 0.162103 -0.150929 -0.422903 -90.7945 -91.8383 6.35542 # jumping subtree containing (T0187)E218 jump= 0.678472 -0.496729 0.0311796 0.540337 -6.16065 139.9 11.3534 # jumping subtree containing (T0187)E218 jump= -0.286744 -0.586042 0.747587 0.124283 -107.82 -94.9735 133.809 # jumping subtree containing (T0187)A180 jump= 0.680228 -0.444118 0.376412 0.445379 -8.06981 25.6296 -63.7479 # generation 119: best score out of 40: T0187.try1-al4-scwrl 67.9876 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 308 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2321 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D115 jump= 0.42515 0.796293 -0.0218774 0.429751 -96.5542 232.339 160.534 # jumping subtree containing (T0187)I155 jump= -0.50468 -0.741795 -0.288476 0.334395 -126.09 155.125 -79.8313 # jumping subtree containing (T0187)E211 jump= 0.937019 0.268901 0.144277 -0.169919 -66.9718 18.8935 -52.7148 # jumping subtree containing (T0187)E218 jump= -0.872163 -0.163987 0.125013 -0.443636 -11.4556 161.122 72.7085 # jumping subtree containing (T0187)G171 jump= -0.684651 -0.530327 -0.430296 0.254661 -148.585 163.012 -110.759 # jumping subtree containing (T0187)I232 jump= -0.394699 0.609915 -0.458312 0.512021 -218.826 -84.2494 183.408 # jumping subtree containing (T0187)Q110 jump= 0.220373 -0.973063 -0.0409134 -0.053954 -27.1252 102.82 216.678 # jumping subtree containing (T0187)K150 jump= -0.797317 0.16005 0.0648565 0.578328 -178.09 -90.0577 81.9458 # jumping subtree containing (T0187)I141 jump= 0.999831 -0.0136765 0.00577933 -0.0108714 -11.1368 12.0336 20.2594 # jumping subtree containing (T0187)P91 jump= -0.918865 0.199139 0.0992645 -0.325849 59.4913 95.0579 49.1134 # jumping subtree containing (T0187)T236 jump= -0.219867 -0.662025 0.5384 0.472765 -91.4386 -60.9802 -24.3496 # jumping subtree containing (T0187)P91 jump= -0.369334 -0.683043 0.591432 0.217379 -21.5253 -31.9107 95.1605 # generation 120: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 310 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2343 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E211 jump= 0.980214 -0.160152 -0.115989 0.00887221 12.1281 -26.983 71.4964 # jumping subtree containing (T0187)S127 jump= 0.56528 0.706723 0.407652 0.121742 -145.607 285.646 -18.9662 # jumping subtree containing (T0187)D115 jump= 0.876438 -0.346579 -0.167135 -0.289491 -69.1538 -102.397 112.367 # jumping subtree containing (T0187)A180 jump= 0.231623 -0.826651 0.486502 -0.162218 -42.6329 -27.8121 212.363 # jumping subtree containing (T0187)E218 jump= 0.494862 -0.758845 -0.408588 -0.110999 -76.2627 115.747 228.216 # jumping subtree containing (T0187)I141 jump= 0.423462 -0.357156 0.110459 -0.825178 -272.637 7.18066 128.828 # jumping subtree containing (T0187)S127 jump= -0.505792 0.122712 0.651765 -0.55165 -138.728 245.577 236.393 # jumping subtree containing (T0187)E218 jump= -0.0981621 -0.0330459 0.955755 -0.275327 -325.844 38.1938 225.095 # jumping subtree containing (T0187)E211 jump= -0.70197 0.60117 -0.0128448 -0.381666 11.7797 91.0398 15.8867 # generation 121: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 313 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2364 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.633018 -0.406384 0.352685 -0.556556 -92.2947 185.787 188.139 # jumping subtree containing (T0187)T236 jump= 0.846896 -0.411591 -0.108454 0.318744 26.9405 137.579 75.6496 # jumping subtree containing (T0187)V108 jump= 0.208555 -0.0618617 -0.83279 -0.509058 -312.616 -46.6042 131.919 # jumping subtree containing (T0187)I232 jump= 0.750118 0.363418 -0.2185 -0.507451 -107.321 -78.3454 -55.0544 # jumping subtree containing (T0187)T236 jump= 0.0199974 0.323175 0.0473879 0.94494 -344.387 141.71 117.4 # jumping subtree containing (T0187)A180 jump= 0.840723 0.402477 0.313632 0.181195 -67.3212 171.958 -89.4658 # jumping subtree containing (T0187)T236 jump= -0.609549 0.75666 -0.0449417 -0.232156 3.94806 78.8984 76.7599 # jumping subtree containing (T0187)I158 jump= -0.599062 0.0695136 -0.746347 -0.28153 -220.964 -8.70657 -97.8041 # jumping subtree containing (T0187)T236 jump= 0.99701 -0.0590505 0.0153484 -0.0474271 -12.9171 -20.3897 -15.4815 # jumping subtree containing (T0187)T236 jump= -0.999836 -0.0146973 0.0105946 -0.000117868 -7.98989 7.72517 -19.1431 # jumping subtree containing (T0187)V108 jump= -0.747741 0.242349 -0.133091 -0.603687 -46.5776 134.731 -65.0983 # generation 122: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 313 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2388 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V117 jump= 0.978326 0.171022 0.106481 0.0478707 -22.3052 54.0916 -70.7527 # jumping subtree containing (T0187)T236 jump= 0.995672 -0.0683633 0.062948 0.00109842 2.88556 -22.9333 -33.5804 # jumping subtree containing (T0187)G171 jump= 0.682055 -0.485437 0.040834 -0.545422 -197.563 -81.7322 190.023 # jumping subtree containing (T0187)T236 jump= -0.95976 -0.0958081 0.120435 0.234897 -42.2381 -65.2697 29.9036 # jumping subtree containing (T0187)Q110 jump= -0.387415 -0.283301 0.787552 -0.386538 -186.879 75.035 287.838 # jumping subtree containing (T0187)G171 jump= -0.418317 0.260533 0.639427 0.590141 -311.36 -27.7089 140.979 # jumping subtree containing (T0187)I232 jump= -0.258743 -0.0254909 0.738403 -0.622224 -281.075 162.541 228.664 # jumping subtree containing (T0187)L131 jump= -0.734885 -0.265209 0.541368 -0.31069 -18.5158 97.3321 209.61 # jumping subtree containing (T0187)K150 jump= 0.986352 -0.143462 -0.0754685 0.0288739 -6.18515 8.07225 32.5024 # jumping subtree containing (T0187)T236 jump= -0.900281 0.25861 0.340212 0.0828844 -55.397 -7.57508 180.402 # jumping subtree containing (T0187)D115 jump= -0.968302 -0.12065 -0.184391 -0.117622 -34.4115 56.802 -33.0366 # jumping subtree containing (T0187)S227 jump= 0.68847 0.340465 0.554783 -0.319856 -233.747 82.246 -100.686 # jumping subtree containing (T0187)K150 jump= 0.707146 0.685666 0.0626046 -0.160894 -17.5412 93.1244 -93.5907 # jumping subtree containing (T0187)R162 jump= 0.971612 -0.15427 0.0576859 0.169835 25.5972 38.5868 -19.6803 # Removing break before 40 # jumping subtree containing (T0187)T236 jump= 0.730059 -0.238528 -0.586396 0.257404 -67.8511 126.294 228.777 # jumping subtree containing (T0187)V108 jump= -0.861645 -0.43372 -0.125998 0.231473 -54.7396 64.7485 -76.6841 # jumping subtree containing (T0187)K150 jump= 0.634395 -0.463531 0.618595 0.00475607 -132.706 -94.266 -19.0851 # jumping subtree containing (T0187)T236 jump= 0.946101 -0.170003 -0.261939 0.0859054 -10.6399 41.7985 105.72 # jumping subtree containing (T0187)Y220 jump= 0.759818 0.163951 -0.622013 -0.0943188 -45.144 -53.4562 185.153 # generation 123: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 313 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2412 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V108 jump= -0.412687 -0.0997125 -0.847613 0.318276 -341.697 75.133 15.0932 # jumping subtree containing (T0187)T116 jump= 0.996543 0.0164874 0.0765935 -0.0276477 -5.70674 -24.7887 -17.0201 # jumping subtree containing (T0187)F173 jump= -0.592559 0.0862856 0.390076 0.699478 -266.549 -74.0855 64.8171 # jumping subtree containing (T0187)T236 jump= 0.54853 0.775534 0.0300113 -0.311066 -43.772 80.3546 -71.5684 # jumping subtree containing (T0187)T236 jump= 0.616968 0.403768 -0.508595 0.444582 -75.3291 127.484 207.277 # jumping subtree containing (T0187)T236 jump= -0.576394 -0.0603204 -0.148945 -0.801216 -179.004 264.561 -53.4864 # jumping subtree containing (T0187)K150 jump= 0.994329 -0.0898207 -0.0555847 0.0123457 -5.23605 8.89642 49.1228 # Removing break before 40 # jumping subtree containing (T0187)I141 jump= -0.505258 0.0625081 -0.164289 0.844876 -293.646 6.93091 8.05445 # jumping subtree containing (T0187)G171 jump= 0.593933 -0.662082 -0.230701 0.394548 13.3907 173.308 122.251 # jumping subtree containing (T0187)Y220 jump= -0.821536 -0.285534 0.340926 0.356817 -33.7124 -101.128 22.6382 # generation 124: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 314 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2435 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.55293 -0.256248 -0.26952 -0.74563 -186.19 240.986 -19.4045 # jumping subtree containing (T0187)D115 jump= 0.994666 -0.0319095 -0.0901394 -0.0386864 -16.072 -24.4248 51.9606 # jumping subtree containing (T0187)R103 jump= -0.160001 -0.405688 -0.244133 0.86615 -254.904 169.994 -68.2047 # jumping subtree containing (T0187)I141 jump= 0.179873 -0.90173 -0.131249 -0.370544 -117.905 130.347 201.856 # jumping subtree containing (T0187)T236 jump= -0.99772 -0.0555002 -0.00994473 -0.0370794 -17.1458 19.9691 -22.9284 # jumping subtree containing (T0187)D115 jump= 0.991871 -0.0342769 0.00586127 -0.122405 -19.4674 -33.341 7.98214 # jumping subtree containing (T0187)T236 jump= -0.824757 0.531992 -0.00967453 -0.191486 13.6113 41.0303 47.3109 # jumping subtree containing (T0187)K150 jump= -0.715884 -0.381503 0.171247 0.559142 -136.221 -56.2341 -75.9326 # jumping subtree containing (T0187)T236 jump= 0.0491799 -0.786129 -0.56652 0.24215 -169.959 271.818 52.5287 # jumping subtree containing (T0187)T236 jump= 0.991799 0.088639 -0.0774091 0.0498624 -1.7663 15.4715 0.92362 # jumping subtree containing (T0187)T236 jump= -0.600578 0.239744 0.760833 -0.0544296 -159.893 74.1319 245.287 # jumping subtree containing (T0187)A180 jump= 0.998298 -0.0476785 0.0181749 0.0282527 1.69553 -14.3938 -2.61406 # jumping subtree containing (T0187)E218 jump= 0.990088 -0.0857425 -0.107725 -0.0277288 17.188 -13.5354 58.2901 # jumping subtree containing (T0187)I141 jump= -0.992212 -0.00698276 -0.0123253 0.123753 -29.1361 -25.3447 -15.8548 # jumping subtree containing (T0187)G171 jump= 0.978376 0.193993 -0.0595179 0.0400489 14.2379 29.9198 -23.1434 # generation 125: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 320 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2453 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.916315 0.362825 -0.168683 0.0164768 -40.0108 -59.7937 19.0489 # jumping subtree containing (T0187)K150 jump= -0.263658 0.422961 0.336246 0.799079 -322.032 77.7874 149.558 # jumping subtree containing (T0187)T236 jump= -0.0201027 -0.286729 0.928752 0.2341 -271.269 -121.405 47.6493 # jumping subtree containing (T0187)G135 jump= 0.976 -0.0328458 -0.143576 -0.160412 -25.5551 -48.9348 71.0798 # jumping subtree containing (T0187)T236 jump= -0.932206 -0.0504585 0.357047 -0.0310534 -3.15598 -4.73472 102.401 # jumping subtree containing (T0187)E211 jump= -0.9587 -0.179919 -0.217956 0.0319008 -23.3159 35.1735 -79.9228 # generation 126: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 322 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2475 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D115 jump= 0.979388 -0.0839902 -0.154783 -0.098926 -3.63721 -38.4663 89.0147 # jumping subtree containing (T0187)G171 jump= 0.811378 0.474972 0.284335 0.187671 -75.7128 178.293 -100.937 # jumping subtree containing (T0187)L107 jump= -0.392282 0.915772 0.0819913 0.0274512 -17.2162 104.788 207.113 # jumping subtree containing (T0187)G171 jump= -0.532518 0.160687 0.300249 0.77489 -310.964 -60.7737 77.8953 # jumping subtree containing (T0187)E211 jump= 0.656835 -0.0472821 0.398655 0.638284 -165.251 153.791 -78.3519 # jumping subtree containing (T0187)D115 jump= -0.461461 0.82565 -0.152565 0.286496 -74.5327 -35.4784 222.823 # jumping subtree containing (T0187)A180 jump= -0.672094 -0.295628 0.673314 0.0868451 -27.7029 -45.5905 155.332 # jumping subtree containing (T0187)T236 jump= 0.359118 0.66869 -0.0547568 0.648761 -166.472 219.624 172.65 # jumping subtree containing (T0187)E218 jump= -0.354855 -0.161288 -0.601505 -0.697321 -333.098 140.666 -43.8452 # jumping subtree containing (T0187)A180 jump= -0.0335657 0.913678 -0.179122 -0.363293 22.3264 112.376 13.1026 # Removing break before 40 # jumping subtree containing (T0187)K150 jump= -0.483125 -0.489888 -0.280247 0.669374 -231.652 70.3432 -107.362 # jumping subtree containing (T0187)A180 jump= 0.967439 -0.0176774 0.108657 0.227909 -8.22355 70.0658 -43.135 # jumping subtree containing (T0187)T236 jump= -0.918413 0.251627 0.270456 -0.141615 5.31343 84.083 133.227 # jumping subtree containing (T0187)T236 jump= -0.780109 0.452165 -0.343224 -0.263008 -51.4882 23.4327 -64.7324 # generation 127: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 325 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2496 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= 0.943385 -0.0420813 -0.236222 -0.229028 -18.6776 -60.323 96.9809 # jumping subtree containing (T0187)T236 jump= -0.0678517 0.0610779 0.991608 -0.0915376 -374.41 35.416 148.898 # jumping subtree containing (T0187)G171 jump= 0.963616 0.0963182 0.22099 -0.11546 -85.6875 -21.9836 -78.977 # jumping subtree containing (T0187)D115 jump= -0.248014 -0.653659 0.367904 0.613079 -71.5875 -22.5093 -70.5523 # jumping subtree containing (T0187)L131 jump= -0.35167 0.429149 -0.347878 0.755738 -286.256 23.9133 173.508 # jumping subtree containing (T0187)T236 jump= 0.834921 0.468737 -0.109636 -0.266783 -32.9079 -31.4493 -59.0504 # jumping subtree containing (T0187)V108 jump= -0.350257 0.292674 0.7512 0.476823 -294.385 -10.73 187.475 # jumping subtree containing (T0187)T236 jump= -0.669414 0.422494 0.200386 -0.57726 -22.3683 202.274 47.2959 # jumping subtree containing (T0187)T236 jump= 0.0564886 -0.363022 -0.896979 0.245872 -312.295 154.139 119.788 # jumping subtree containing (T0187)V228 jump= -0.646647 0.73453 -0.196818 -0.0598021 9.34979 -25.0646 107.103 # jumping subtree containing (T0187)I141 jump= -0.626344 0.401495 0.256593 -0.616972 -42.9427 193.052 51.8842 # jumping subtree containing (T0187)E157 jump= 0.994964 0.0225484 -0.011088 0.0970294 20.6399 15.4484 -3.20043 # jumping subtree containing (T0187)T236 jump= -0.519075 -0.00814819 -0.849132 0.0973159 -311.584 -7.42901 -61.7967 # generation 128: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 325 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2520 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D115 jump= -0.957377 -0.0480777 -0.252538 0.131688 -83.3503 -22.6981 -78.1958 # jumping subtree containing (T0187)I232 jump= -0.905464 -0.244098 0.201839 0.28251 -24.4346 -77.1239 15.6402 # jumping subtree containing (T0187)I141 jump= 0.972294 -0.219992 -0.0774503 0.0157684 -8.74951 -18.1749 72.5492 # jumping subtree containing (T0187)T236 jump= -0.872952 -0.0617177 -0.422084 0.236623 -158.962 -53.1378 -83.7445 # jumping subtree containing (T0187)T236 jump= 0.928105 0.0871082 -0.14209 -0.332933 -45.4609 -91.2065 11.6198 # jumping subtree containing (T0187)T236 jump= 0.997146 0.00404752 -0.0669663 0.0346328 -4.10674 -6.657 20.9271 # jumping subtree containing (T0187)T236 jump= -0.653833 0.593899 -0.467687 -0.0324965 -83.3627 -90.1043 -18.7478 # jumping subtree containing (T0187)K150 jump= -0.742442 -0.471734 -0.140051 -0.45457 -81.8867 203.514 12.8685 # jumping subtree containing (T0187)T236 jump= 0.864825 0.111999 0.308384 0.380044 -72.7252 139.355 -89.3137 # jumping subtree containing (T0187)T236 jump= -0.491671 -0.739185 0.460246 0.0062123 -20.0901 -18.7897 114.853 # jumping subtree containing (T0187)Q110 jump= -0.918559 -0.227995 0.322632 0.0132431 5.2829 20.9158 109.404 # jumping subtree containing (T0187)R102 jump= 0.00364992 -0.0639099 0.352269 0.933707 -331.026 111.932 -48.2571 # jumping subtree containing (T0187)T236 jump= -0.033495 0.42594 0.887895 -0.170572 -344.556 169.972 111.656 # generation 129: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 327 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2542 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= 0.295467 -0.271953 0.824135 0.399428 -255.278 -29.8846 -68.6005 # jumping subtree containing (T0187)I141 jump= -0.956299 -0.164553 -0.155657 -0.184893 -42.4842 79.3725 -42.0381 # jumping subtree containing (T0187)D115 jump= 0.92743 0.0571149 0.14045 -0.341885 -81.9571 -67.6042 -45.0687 # jumping subtree containing (T0187)T236 jump= 0.267302 0.366921 -0.709292 0.539281 -222.42 78.1354 267.511 # jumping subtree containing (T0187)G171 jump= 0.940206 -0.0969087 0.208823 0.251027 -29.3439 52.2354 -41.1832 # jumping subtree containing (T0187)G171 jump= 0.989884 0.0689662 0.0698552 0.102439 5.63074 50.5343 -14.0781 # jumping subtree containing (T0187)G171 jump= -0.853158 -0.420696 0.00475643 -0.308405 -17.1916 179.33 -12.4968 # jumping subtree containing (T0187)K150 jump= -0.153812 0.418914 0.882174 -0.150402 -272.448 146.895 156.239 # jumping subtree containing (T0187)T97 jump= -0.999956 -0.00905672 0.00239777 -0.000132417 13.8286 -22.4678 3.36895 # jumping subtree containing (T0187)T236 jump= 0.645242 0.716579 0.263973 -0.0222557 -55.752 186.587 -84.4937 # jumping subtree containing (T0187)V108 jump= -0.994872 -0.0318371 -0.0109522 -0.0953728 0.298918 42.5416 -31.6987 # jumping subtree containing (T0187)I232 jump= -0.0580776 0.591814 0.626479 -0.503892 -243.277 244.889 29.3694 # generation 130: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 331 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2562 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D115 jump= 0.509618 0.281333 0.219997 0.782779 -230.13 235.029 19.6975 # jumping subtree containing (T0187)I232 jump= -0.507392 -0.124276 0.774417 -0.356914 -184.981 96.5926 274.255 # jumping subtree containing (T0187)K150 jump= -0.942794 0.225178 -0.24419 0.028395 -31.3743 -28.548 -2.30598 # jumping subtree containing (T0187)I141 jump= 0.835525 0.239739 0.318618 -0.378028 -135.376 0.429543 -92.0189 # jumping subtree containing (T0187)D115 jump= 0.99775 -0.0349214 -0.0562018 -0.010835 12.5398 -10.9296 25.0181 # jumping subtree containing (T0187)T236 jump= -0.965006 -0.161892 0.0699467 0.194066 -15.3533 -37.5891 -2.63214 # jumping subtree containing (T0187)T116 jump= -0.85262 0.405571 -0.313853 -0.100241 -40.1845 -32.6035 -28.9148 # jumping subtree containing (T0187)D115 jump= -0.916449 -0.312704 0.227912 0.101952 1.76983 9.46101 17.0555 # jumping subtree containing (T0187)T236 jump= 0.805556 -0.268021 0.359945 0.38689 -36.6691 52.1827 -94.35 # jumping subtree containing (T0187)G135 jump= -0.943673 -0.141538 0.274993 -0.11759 52.0035 68.2627 88.4147 # jumping subtree containing (T0187)G135 jump= -0.458065 -0.0796119 0.591242 -0.658993 -129.88 220.661 225.27 # generation 131: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 335 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2582 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K150 jump= 0.831667 -0.480816 -0.264301 -0.0853906 -43.6628 32.0257 173.333 # jumping subtree containing (T0187)G171 jump= -0.985425 -0.0289097 0.062563 -0.155526 3.61959 64.0712 22.4937 # jumping subtree containing (T0187)I141 jump= -0.783505 -0.282592 -0.244271 0.496582 -170.202 -15.0345 -114.803 # jumping subtree containing (T0187)A180 jump= 0.206947 0.0968355 -0.89883 -0.374033 -261.169 -93.7535 105.631 # jumping subtree containing (T0187)T236 jump= 0.962701 -0.152313 0.223579 -0.0044783 -30.4251 -16.2621 -35.9115 # jumping subtree containing (T0187)D109 jump= -0.37679 0.608858 0.184015 -0.673394 -76.4811 248.137 14.9292 # jumping subtree containing (T0187)T236 jump= -0.439464 0.0243857 0.182919 0.8791 -347.124 -52.7845 1.13089 # jumping subtree containing (T0187)L131 jump= 0.812641 -0.204964 0.258441 -0.48043 -203.323 -98.0173 1.41336 # jumping subtree containing (T0187)A180 jump= 0.964518 0.00341449 0.175474 0.197238 -25.8574 57.198 -53.2085 # jumping subtree containing (T0187)K150 jump= 0.936653 0.322144 0.104379 -0.0894894 -10.5218 23.81 -53.6972 # jumping subtree containing (T0187)I158 jump= -0.519068 0.615137 -0.555435 -0.208967 -62.5134 -39.988 -3.99557 # jumping subtree containing (T0187)E218 jump= -0.750041 0.128095 -0.634852 0.134142 -229.131 -61.1041 -67.1608 # jumping subtree containing (T0187)T236 jump= -0.267149 -0.3039 -0.531615 0.744084 -329.573 147.97 -25.4126 # generation 132: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 336 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2605 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= 0.988713 0.0950613 0.0263537 0.112763 -0.334525 54.3477 -21.2776 # jumping subtree containing (T0187)R103 jump= 0.075575 0.0684383 0.491828 0.864702 -332.559 108.831 -6.06927 # jumping subtree containing (T0187)T236 jump= 0.744215 0.137263 -0.305472 0.577919 -54.6181 229.18 127.194 # jumping subtree containing (T0187)T236 jump= 0.970707 -0.124713 -0.139219 0.150972 4.25274 50.9432 81.4464 # jumping subtree containing (T0187)T236 jump= 0.994156 0.0191512 0.0839392 0.0651277 -14.4122 7.1843 -19.7378 # jumping subtree containing (T0187)T236 jump= -0.213744 -0.82803 0.062805 -0.514525 -114.428 165.207 234.252 # jumping subtree containing (T0187)P91 jump= -0.115474 0.497612 0.228236 0.828828 -328.554 158.445 160.418 # jumping subtree containing (T0187)T236 jump= 0.388765 0.736328 -0.0165531 0.553542 -124.272 210.169 184.502 # jumping subtree containing (T0187)T236 jump= 0.0732166 0.0886271 0.986717 0.114779 -368.379 16.3311 77.2149 # jumping subtree containing (T0187)T236 jump= 0.492725 0.316759 0.646313 -0.489044 -296.727 72.2482 -68.9433 # jumping subtree containing (T0187)T236 jump= -0.502595 -0.467567 0.726939 -0.0184006 -118.902 -64.0565 178.45 # jumping subtree containing (T0187)T236 jump= -0.934501 0.308549 0.176247 -0.0210397 -9.35375 1.35335 125.917 # jumping subtree containing (T0187)G171 jump= 0.957779 -0.188727 0.154813 0.151902 0.51983 10.6405 -26.3104 # jumping subtree containing (T0187)T236 jump= -0.811935 -0.502604 0.207318 -0.212531 14.1681 116.98 67.9163 # generation 133: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 340 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2625 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.787742 0.0611777 0.574879 0.212684 -109.909 -41.2043 191.21 # jumping subtree containing (T0187)L131 jump= -0.649919 -0.584769 -0.450077 0.181882 -173.738 155.078 -87.1615 # jumping subtree containing (T0187)D94 jump= 0.177337 -0.185533 0.511008 0.820365 -253.324 104.365 -103.744 # jumping subtree containing (T0187)D115 jump= 0.659301 -0.26288 0.690387 0.139938 -173.678 -72.5137 -75.297 # jumping subtree containing (T0187)T236 jump= -0.893202 -0.290382 -0.21979 -0.263745 -43.0497 139.314 -53.7721 # jumping subtree containing (T0187)D115 jump= -0.203308 -0.705182 -0.586108 -0.343309 -223.532 203.639 110.922 # jumping subtree containing (T0187)T236 jump= 0.771139 0.112831 0.433105 -0.452807 -251.486 -31.8458 -98.4509 # jumping subtree containing (T0187)E218 jump= 0.848441 -0.419916 -0.290574 0.139232 21.0723 84.9033 164.461 # jumping subtree containing (T0187)P91 jump= 0.301199 -0.485958 0.605474 -0.553647 -240.358 -14.2567 199.047 # generation 134: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 343 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2646 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I232 jump= 0.984444 -0.0595398 -0.0252513 0.163363 11.0716 65.7539 1.86386 # jumping subtree containing (T0187)I141 jump= 0.754257 -0.307582 0.197751 0.54533 -24.5122 111.719 -81.8429 # jumping subtree containing (T0187)D115 jump= -0.76623 0.233162 0.122792 -0.586046 -40.0048 176.991 48.1755 # jumping subtree containing (T0187)R103 jump= -0.104722 -0.0396824 0.50794 0.854082 -343.618 -2.70875 -29.6538 # jumping subtree containing (T0187)G171 jump= 0.769903 -0.465049 -0.178294 0.398986 19.9606 162.119 96.7334 # jumping subtree containing (T0187)T236 jump= 0.116558 0.82424 -0.353255 0.426912 -88.476 55.6154 220.04 # jumping subtree containing (T0187)L131 jump= 0.705579 0.47811 0.216729 0.476022 -99.7377 229.892 -7.45279 # jumping subtree containing (T0187)E218 jump= 0.0357855 -0.221517 -0.233027 -0.946228 -384.944 112.134 69.3903 # jumping subtree containing (T0187)K150 jump= -0.908458 0.250095 -0.314573 -0.114891 -31.5649 -2.59044 -67.9322 # jumping subtree containing (T0187)G171 jump= -0.978063 -0.189539 0.0792237 -0.0345045 36.1984 34.5141 14.0596 # jumping subtree containing (T0187)T236 jump= 0.33855 0.41269 -0.0685633 -0.842834 -241.546 38.3443 -130.497 # jumping subtree containing (T0187)T236 jump= -0.958136 -0.1082 -0.112339 0.2401 -80.4371 -33.4507 -62.8464 # generation 135: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 350 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2663 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)W204 jump= -0.503206 0.0451743 0.59494 -0.625132 -169.235 187.179 180.088 # jumping subtree containing (T0187)V228 jump= 0.997424 -0.0696176 0.0104169 0.0137752 5.94228 -9.80985 -8.49245 # jumping subtree containing (T0187)I158 jump= -0.888028 0.0296566 -0.0215637 0.458324 -128.036 -106.984 -6.78427 # jumping subtree containing (T0187)T236 jump= -0.93873 0.196081 0.277018 0.059989 1.58024 -12.1045 136.139 # jumping subtree containing (T0187)T236 jump= 0.165287 -0.411923 0.12596 -0.887206 -330.721 91.7938 151.973 # jumping subtree containing (T0187)E218 jump= 0.783975 -0.603716 0.0583552 -0.132307 -43.4965 -69.2427 125.43 # jumping subtree containing (T0187)T236 jump= 0.819498 0.205105 -0.388522 -0.367975 -80.7879 -109.123 67.8844 # jumping subtree containing (T0187)Y220 jump= 0.46122 0.712014 -0.426998 -0.313026 -13.6688 -44.9582 62.1106 # jumping subtree containing (T0187)T236 jump= -0.983354 0.0763691 0.0533824 -0.155993 32.3535 28.4657 29.7038 # jumping subtree containing (T0187)T236 jump= -0.97657 -0.19155 0.0395005 -0.0897708 27.6173 75.0521 -15.9469 # jumping subtree containing (T0187)V228 jump= 0.980699 -0.0034416 -0.142762 0.133551 35.6747 25.0707 56.2295 # jumping subtree containing (T0187)E130 jump= 0.893444 -0.429558 0.045803 -0.123045 -24.3194 -77.6606 106.724 # jumping subtree containing (T0187)P132 jump= -0.519515 -0.574428 -0.63072 -0.0482627 -223.121 235.952 -43.3905 # jumping subtree containing (T0187)T236 jump= 0.802841 -0.0803353 -0.569727 0.156218 -38.877 52.5565 211.059 # jumping subtree containing (T0187)D115 jump= -0.252454 0.257555 -0.0306962 0.932196 -355.355 60.0819 84.164 # jumping subtree containing (T0187)T236 jump= 0.712905 -0.275357 -0.411475 -0.496622 -205.807 -70.1919 192.819 # generation 136: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 354 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2683 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing (T0187)E218 jump= 0.0255748 -0.0402006 -0.951131 -0.305089 -361.309 -25.5298 91.0018 # jumping subtree containing (T0187)T236 jump= 0.999235 0.00188894 0.0390322 -0.00137154 5.1418 -14.9572 -34.0215 # jumping subtree containing (T0187)T236 jump= 0.968251 0.0624433 0.0015317 0.242052 12.2272 105.44 -0.618835 # jumping subtree containing (T0187)E218 jump= -0.499062 0.257196 0.37359 -0.738389 -130.552 242.651 68.8518 # jumping subtree containing (T0187)T236 jump= -0.711327 -0.58652 -0.156836 0.354133 -88.2639 40.1596 -140.111 # jumping subtree containing (T0187)L131 jump= -0.538347 0.552386 0.432001 0.467362 -188.828 -17.148 248.136 # jumping subtree containing (T0187)A180 jump= 0.552237 -0.225263 0.350994 0.721869 -117.802 160.53 -107.196 # jumping subtree containing (T0187)T236 jump= 0.653478 0.564281 0.140348 -0.484618 -112.275 53.3336 -145.989 # jumping subtree containing (T0187)T236 jump= 0.154695 -0.514601 -0.197986 -0.819791 -336.686 121.982 189.298 # jumping subtree containing (T0187)T116 jump= -0.580128 0.661557 -0.427679 0.207085 -111.294 -79.0108 149.465 # jumping subtree containing (T0187)W204 jump= 0.963499 -0.174584 0.155228 0.130742 -25.946 34.2599 -31.0394 # Removing break before 80 # jumping subtree containing (T0187)K150 jump= 0.98652 -0.0665123 0.118691 0.0909168 -11.1295 -0.0910587 -23.3582 # jumping subtree containing (T0187)T236 jump= 0.943307 -0.0940886 0.312004 -0.0630257 -51.3207 -51.1952 -59.2364 # jumping subtree containing (T0187)G171 jump= 0.0811813 0.0849931 0.122073 -0.985537 -301.991 182.744 2.32075 # generation 137: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 356 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2705 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= 0.673366 -0.655079 0.0391628 -0.340464 -107.419 -39.927 223.112 # jumping subtree containing (T0187)A180 jump= 0.995072 -0.0107653 -0.0668296 0.0724492 7.9183 37.4911 19.657 # jumping subtree containing (T0187)T236 jump= 0.190973 0.593281 -0.489524 0.609847 -171.7 93.0914 249.113 # jumping subtree containing (T0187)E211 jump= 0.569616 -0.10357 0.815354 0.0028959 -270.576 -57.1167 -73.3385 # jumping subtree containing (T0187)T236 jump= 0.999609 0.0264029 0.00745106 -0.00540577 -13.4829 -17.7118 6.43093 # jumping subtree containing (T0187)G135 jump= -0.827493 -0.415999 -0.0706907 -0.370409 -55.2501 208.203 -7.48028 # jumping subtree containing (T0187)A180 jump= -0.99517 0.0699657 0.0178642 -0.0664968 1.57515 -0.115042 -1.90468 # jumping subtree containing (T0187)G135 jump= -0.34216 -0.815697 0.340935 0.31832 -5.40327 46.6237 4.27982 # jumping subtree containing (T0187)V108 jump= 0.0995671 0.562043 0.61444 0.544662 -302.324 190.157 125.326 # generation 138: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 359 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2726 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.903166 0.371122 -0.215634 -0.0079003 -42.3887 -49.1814 15.3734 # jumping subtree containing (T0187)I141 jump= -0.982351 -0.0485505 0.174309 0.0473812 22.5357 5.61535 63.7185 # jumping subtree containing (T0187)V108 jump= 0.936174 -0.268948 0.219239 -0.0563873 -41.6573 -48.8841 -10.0472 # jumping subtree containing (T0187)T236 jump= 0.188144 0.244712 0.520491 0.79612 -334.606 171.642 -11.1636 # jumping subtree containing (T0187)E218 jump= 0.503738 0.153302 0.450857 -0.720746 -306.454 16.7025 -57.1272 # jumping subtree containing (T0187)T236 jump= 0.351382 0.406337 -0.8392 0.0846437 -166.341 -37.6515 213.212 # jumping subtree containing (T0187)S127 jump= 0.798494 -0.142386 -0.431989 -0.39436 -127.338 -110.224 129.983 # jumping subtree containing (T0187)T236 jump= -0.276355 0.386873 -0.122777 0.871139 -351.289 37.829 172.471 # jumping subtree containing (T0187)T236 jump= -0.98852 0.0419217 -0.116623 0.0864329 -40.5794 -45.9368 -21.1704 # jumping subtree containing (T0187)T236 jump= -0.0828753 0.475945 0.870152 0.0971749 -321.291 151.209 147.646 # jumping subtree containing (T0187)I141 jump= -0.340615 0.590405 0.216351 -0.698996 -95.8708 209.025 14.6628 # generation 139: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 362 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2747 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.620593 0.34234 -0.694094 0.1261 -203.193 -124.963 -34.784 # jumping subtree containing (T0187)D115 jump= -0.667935 0.645884 0.364199 0.0636832 -44.2729 59.023 245.586 # jumping subtree containing (T0187)R103 jump= -0.999047 -0.0403315 0.0144786 -0.00829382 8.99851 8.16262 20.7918 # jumping subtree containing (T0187)I158 jump= 0.487794 -0.426 0.755377 -0.0999348 -183.79 -118.205 17.0081 # jumping subtree containing (T0187)T236 jump= 0.0710318 -0.192482 -0.47121 0.857827 -334.092 183.648 48.5894 # jumping subtree containing (T0187)A180 jump= 0.838249 -0.0904669 0.518042 -0.144177 -179.456 -57.0844 -48.2214 # jumping subtree containing (T0187)Q110 jump= -0.806363 -0.389071 -0.145482 0.420997 -97.8105 22.5349 -108.906 # jumping subtree containing (T0187)T236 jump= -0.852574 0.241635 0.323321 0.331954 -98.3087 -88.502 138.319 # jumping subtree containing (T0187)D109 jump= 0.0113411 0.698631 0.415125 0.58263 -287.714 183.945 190.936 # jumping subtree containing (T0187)D109 jump= -0.978997 -0.157815 -0.120382 0.0465652 -18.6638 22.2253 -40.2921 # jumping subtree containing (T0187)E211 jump= 0.618642 -0.59575 -0.255913 -0.443704 -153.543 -27.7649 249.722 # jumping subtree containing (T0187)T236 jump= 0.985693 -0.0355083 -0.125098 -0.107233 -11.1647 -68.0977 53.874 # jumping subtree containing (T0187)D115 jump= 0.402301 -0.536285 0.54438 0.504184 -108.3 -5.45178 -78.7913 # jumping subtree containing (T0187)G171 jump= -0.845973 0.401657 0.0774096 -0.342065 24.0447 100.756 87.1267 # jumping subtree containing (T0187)T236 jump= 0.0306491 0.609744 0.78931 -0.065288 -297.56 202.731 97.7586 # jumping subtree containing (T0187)T236 jump= -0.926849 -0.222297 -0.298274 0.0506676 -87.3135 63.1937 -124.688 # jumping subtree containing (T0187)G171 jump= -0.0133623 -0.114008 -0.930004 -0.349166 -348.36 2.12663 94.1793 # jumping subtree containing (T0187)E218 jump= -0.112104 -0.709908 0.213301 0.66179 -63.9312 31.7598 -85.9269 # jumping subtree containing (T0187)P91 jump= -0.18005 0.563285 -0.0782991 0.802597 -278.146 96.7697 228.607 # jumping subtree containing (T0187)E218 jump= -0.999499 0.00679732 0.0308205 -0.00246029 -8.79169 14.1103 28.99 # jumping subtree containing (T0187)T236 jump= 0.305416 -0.158969 0.390319 -0.853874 -389.084 24.2974 79.111 # generation 140: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 367 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2766 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= 0.752474 -0.209317 -0.52997 0.330305 -64.5792 154.053 225.21 # jumping subtree containing (T0187)P91 jump= -0.727076 -0.0160669 0.375955 0.574248 -189.514 -86.7658 75.8074 # jumping subtree containing (T0187)T236 jump= 0.89549 -0.215418 -0.28447 -0.266026 -84.8506 -88.5934 161.354 # jumping subtree containing (T0187)N159 jump= 0.321334 -0.589745 -0.726579 -0.145014 -248.101 161.025 219.708 # jumping subtree containing (T0187)T236 jump= 0.379287 0.011248 0.709866 0.593385 -307.701 78.219 -110.65 # jumping subtree containing (T0187)D115 jump= -0.475414 -0.447399 -0.703719 -0.280347 -259.355 178.739 5.83502 # jumping subtree containing (T0187)T236 jump= 0.796041 0.144972 0.518151 -0.277168 -204.649 -1.3903 -111.583 # jumping subtree containing (T0187)T236 jump= -0.155524 0.958047 -0.0489746 -0.235709 4.55877 120.164 25.2511 # jumping subtree containing (T0187)T160 jump= -0.0777527 0.121465 0.844118 -0.516397 -307.774 150.307 181.304 # jumping subtree containing (T0187)T160 jump= -0.853715 -0.271426 -0.401757 -0.189971 -77.9126 123.63 -113.097 # jumping subtree containing (T0187)I141 jump= -0.945915 0.0261358 0.267772 -0.181274 35.6561 68.2759 97.3229 # jumping subtree containing (T0187)G171 jump= -0.934486 0.0559684 0.322944 -0.138962 42.2793 66.9265 127.638 # jumping subtree containing (T0187)E218 jump= 0.998338 -0.0388055 0.0219694 -0.036507 -2.1448 -38.9546 4.22176 # jumping subtree containing (T0187)T236 jump= 0.701384 -0.590605 -0.295193 0.26853 -7.43409 164.246 112.671 # jumping subtree containing (T0187)T236 jump= -0.887632 0.115222 -0.0897482 -0.436783 -29.4166 126.389 -17.643 # jumping subtree containing (T0187)G135 jump= -0.297618 -0.837524 -0.429086 -0.160816 -175.884 268.474 71.9723 # generation 141: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 369 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2788 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= -0.42056 0.454296 0.784977 -0.02357 -181.179 132.81 241.975 # jumping subtree containing (T0187)T236 jump= 0.922764 -0.233725 0.303535 -0.0417869 -75.1863 -67.6053 -53.7264 # jumping subtree containing (T0187)A180 jump= 0.200595 -0.854777 0.170345 0.447326 22.3773 109.784 23.7451 # jumping subtree containing (T0187)D115 jump= -0.763719 -0.373121 -0.282516 0.444633 -171.306 33.3208 -109.712 # jumping subtree containing (T0187)G171 jump= 0.510419 0.54519 -0.198836 -0.63459 -100.16 -18.4572 -88.4845 # jumping subtree containing (T0187)S127 jump= -0.906306 0.257178 0.0785453 0.326038 -96.2733 -108.095 120.787 # jumping subtree containing (T0187)T236 jump= 0.828773 -0.480496 0.286617 0.0104786 -23.8606 -52.2842 -19.4285 # jumping subtree containing (T0187)T236 jump= -0.0741311 0.78956 0.365831 -0.487102 -130.55 255.698 -26.8555 # jumping subtree containing (T0187)D109 jump= -0.987831 0.0313919 0.124175 0.0882289 9.52203 -19.3114 31.3012 # jumping subtree containing (T0187)L131 jump= -0.686453 -0.561528 0.275853 0.370639 -4.43291 -26.5643 -0.641184 # jumping subtree containing (T0187)T116 jump= -0.649489 0.699942 -0.291688 0.0562433 -47.7593 -90.4579 122.769 # jumping subtree containing (T0187)T236 jump= -0.959289 0.0109437 0.281946 -0.0122727 15.5299 -13.1685 92.4821 # jumping subtree containing (T0187)T236 jump= 0.493596 0.530529 -0.319647 0.610514 -117.899 204.533 202.289 # jumping subtree containing (T0187)T236 jump= 0.83585 -0.169997 0.3531 -0.384416 -191.802 -119.748 -38.7089 # jumping subtree containing (T0187)R103 jump= -0.99098 -0.116533 0.0441416 0.0492876 11.5616 -11.3697 -14.878 # generation 142: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 370 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2811 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E211 jump= -0.994261 0.0685319 -0.0678191 0.0463519 -34.9132 -26.3588 -26.8789 # jumping subtree containing (T0187)G171 jump= -0.925528 -0.180876 -0.332645 -0.00545401 -69.0644 40.0376 -94.7304 # jumping subtree containing (T0187)D115 jump= -0.0504623 -0.00704123 0.265812 -0.962678 -290.543 171.295 30.6324 # jumping subtree containing (T0187)Y220 jump= 0.792916 -0.0548622 -0.363079 0.486259 -9.66525 185.788 141.18 # jumping subtree containing (T0187)G171 jump= 0.784468 0.0109101 0.613611 0.0892949 -194.356 0.225096 -122.122 # jumping subtree containing (T0187)I232 jump= -0.628239 0.651027 0.422051 0.0578961 -63.4273 92.8595 210.271 # jumping subtree containing (T0187)G171 jump= 0.769595 -0.324029 0.394927 -0.383094 -176.768 -119.882 57.2572 # jumping subtree containing (T0187)T236 jump= -0.867174 0.303485 0.144372 -0.367509 10.5839 126.327 82.933 # jumping subtree containing (T0187)V228 jump= -0.346264 -0.0772775 0.905283 0.233648 -262.083 -58.652 168.338 # jumping subtree containing (T0187)T236 jump= 0.274612 -0.51181 -0.7676 0.270978 -219.899 226.754 152.004 # jumping subtree containing (T0187)D109 jump= 0.767858 -0.229581 -0.548924 -0.237421 -99.2075 -41.3057 189.158 # jumping subtree containing (T0187)T236 jump= 0.665973 -0.653311 0.147228 0.328617 5.9515 89.6499 6.41531 # jumping subtree containing (T0187)D109 jump= -0.00847443 -0.545555 0.441158 -0.712515 -226.574 103.811 245.246 # jumping subtree containing (T0187)T236 jump= -0.51783 0.320433 0.188805 0.770408 -322.517 -51.1394 150.121 # jumping subtree containing (T0187)T236 jump= 0.659226 0.607857 -0.436523 0.0733422 -10.7572 17.7678 141.027 # jumping subtree containing (T0187)D115 jump= 0.978214 0.0102444 -0.13452 0.157788 32.7132 68.0171 58.3649 # jumping subtree containing (T0187)G171 jump= 0.841387 0.165008 0.512829 -0.042961 -169.979 56.1489 -134.903 # jumping subtree containing (T0187)A180 jump= 0.207903 0.591903 0.609358 0.484882 -307.588 198.686 70.5664 # jumping subtree containing (T0187)T236 jump= 0.762808 -0.539995 -0.214165 -0.284012 -96.7176 -26.0187 205.658 # generation 143: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 374 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2831 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= 0.553354 -0.245576 0.44003 -0.663223 -303.255 -40.2392 110.532 # jumping subtree containing (T0187)R103 jump= -0.999936 -0.0111668 0.00102168 0.0012124 -5.8851 19.6017 18.4502 # jumping subtree containing (T0187)S127 jump= 0.669053 -0.255783 0.69725 -0.0280244 -205.506 -58.4763 -0.788643 # jumping subtree containing (T0187)K150 jump= -0.166185 0.241654 -0.956019 -0.00366768 -259.448 -55.8955 51.4956 # jumping subtree containing (T0187)L149 jump= 0.178934 -0.153659 -0.810713 -0.535833 -332.695 -4.5841 62.4026 # jumping subtree containing (T0187)L144 jump= 0.848557 0.367865 0.301998 0.231136 -60.3677 124.111 -78.0725 # jumping subtree containing (T0187)T236 jump= 0.237428 -0.118723 -0.588118 -0.76397 -347.459 -1.33814 59.0798 # jumping subtree containing (T0187)E218 jump= 0.540172 -0.314885 0.734393 -0.264061 -253.675 -74.9625 34.2514 # jumping subtree containing (T0187)T236 jump= 0.820104 0.306843 0.462397 0.139524 -112.859 141.076 -142.22 # jumping subtree containing (T0187)L131 jump= 0.181708 0.600964 0.318744 -0.710089 -182.35 195.134 -73.507 # jumping subtree containing (T0187)P91 jump= 0.282198 0.060247 -0.827091 -0.482344 -285.36 -75.58 91.0358 # jumping subtree containing (T0187)K150 jump= -0.328587 0.373429 0.846972 0.187667 -253.077 98.2218 173.986 # jumping subtree containing (T0187)T236 jump= 0.535803 -0.0447691 -0.770664 0.342036 -171.546 147.118 237.315 # jumping subtree containing (T0187)D115 jump= -0.571135 -0.620428 0.463063 0.272849 -23.2506 -45.7469 31.5375 # generation 144: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 378 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2851 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E218 jump= 0.0904457 0.925961 -0.325749 -0.168236 20.2605 28.5863 58.7249 # jumping subtree containing (T0187)T236 jump= -0.858172 -0.00645953 0.133042 -0.495782 -14.0643 203.304 66.0879 # jumping subtree containing (T0187)T236 jump= 0.947586 -0.00204787 0.31625 -0.0454161 -61.4373 -24.9045 -79.8535 # jumping subtree containing (T0187)A180 jump= -0.0369519 0.85949 -0.509514 0.0175295 9.12204 -2.27912 169.21 # jumping subtree containing (T0187)E218 jump= -0.565247 0.756245 -0.294698 0.147453 -44.2221 -100.276 148.122 # jumping subtree containing (T0187)G171 jump= 0.498503 0.0799389 -0.811288 -0.294816 -204.162 -59.3018 168.918 # jumping subtree containing (T0187)I158 jump= -0.996124 -0.0411127 0.0399453 0.0667205 -22.3406 -14.0346 -9.86578 # jumping subtree containing (T0187)D115 jump= -0.948372 -0.206168 0.170754 0.170084 -27.044 -21.8254 38.2479 # generation 145: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 381 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2872 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= -0.930148 0.229997 0.162202 0.235831 -64.4955 -88.8847 101.956 # jumping subtree containing (T0187)D115 jump= -0.692885 -0.196811 -0.215582 0.659318 -215.73 -35.0402 -76.8046 # jumping subtree containing (T0187)V228 jump= -0.191144 0.404251 0.626859 0.638038 -367.041 58.3652 164.654 # jumping subtree containing (T0187)T236 jump= -0.948538 -0.122046 -0.150936 0.250197 -98.4144 -43.1952 -72.6583 # jumping subtree containing (T0187)V228 jump= 0.901458 -0.233599 -0.345768 0.11511 -9.31842 70.6495 143.085 # jumping subtree containing (T0187)G171 jump= -0.490119 -0.346474 -0.313692 0.735756 -254.73 97.0171 -78.4985 # jumping subtree containing (T0187)L131 jump= 0.269434 0.165506 0.937563 -0.144877 -328.055 67.9069 99.135 # jumping subtree containing (T0187)E211 jump= -0.311175 0.0931801 -0.908011 -0.264581 -328.153 -40.8992 -29.1147 # jumping subtree containing (T0187)K150 jump= 0.0527176 -0.683495 -0.639002 0.348902 -209.873 251.408 77.6897 # jumping subtree containing (T0187)Q110 jump= 0.851475 -0.354836 0.167829 -0.347729 -100.936 -118.868 87.4889 # jumping subtree containing (T0187)D115 jump= -0.970554 0.0630497 -0.170632 0.157907 -85.5438 -44.0965 -40.5616 # generation 146: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 383 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2894 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= 0.990794 0.102723 -0.02169 0.0854715 39.6775 47.5246 1.21165 # jumping subtree containing (T0187)I141 jump= -0.376415 0.249394 -0.772248 -0.446931 -210.265 -31.7646 -77.1448 # jumping subtree containing (T0187)T236 jump= -0.956753 0.0423313 -0.232298 -0.169911 -25.2272 53.8185 -59.2268 # jumping subtree containing (T0187)T236 jump= 0.433828 -0.825384 0.33967 -0.123119 -39.0833 -51.6957 151.794 # jumping subtree containing (T0187)T236 jump= 0.995444 -0.035346 0.03838 -0.0797993 -5.51276 -23.6091 -5.84869 # jumping subtree containing (T0187)T236 jump= -0.806539 0.424457 -0.0540794 -0.407929 18.8182 98.7579 -18.8053 # jumping subtree containing (T0187)T236 jump= -0.738122 0.310801 0.594752 -0.0696334 -79.8734 83.4194 240.481 # jumping subtree containing (T0187)T236 jump= -0.141526 0.494122 0.454497 -0.727493 -200.616 244.329 -1.87244 # jumping subtree containing (T0187)W204 jump= 0.915201 -0.0220077 0.367912 0.162981 -71.4594 55.542 -121.925 # jumping subtree containing (T0187)T236 jump= -0.917732 -0.275208 0.0135332 -0.286088 -18.9758 143.291 -1.35986 # jumping subtree containing (T0187)T236 jump= 0.995602 0.0833287 0.00259227 0.0427278 25.1876 25.1378 0.285486 # jumping subtree containing (T0187)T236 jump= -0.901925 0.252609 -0.325512 0.129466 -62.6083 -75.1814 -14.7219 # jumping subtree containing (T0187)T236 jump= -0.858503 0.509894 -0.0504636 -0.0208441 -8.90888 4.40397 84.1588 # jumping subtree containing (T0187)T236 jump= 0.433058 -0.0210907 -0.380168 0.817 -233.95 251.923 128.709 # jumping subtree containing (T0187)G171 jump= 0.792694 -0.245354 -0.271967 0.48731 -15.2055 188.028 107.527 # jumping subtree containing (T0187)T236 jump= -0.771907 0.629069 -0.0308816 0.0864748 -37.9809 -32.5373 106.613 # jumping subtree containing (T0187)E218 jump= 0.587273 -0.664613 0.0144404 0.461726 18.0895 132.544 16.4827 # jumping subtree containing (T0187)G171 jump= -0.658455 0.66666 0.0679669 -0.342611 41.1884 116.764 66.262 # jumping subtree containing (T0187)K238 jump= -0.966632 0.205285 -0.153222 0.0016422 -32.9203 -18.3128 -3.86687 # generation 147: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 388 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2913 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I232 jump= -0.997161 0.0726184 0.00522367 0.0192191 -7.00672 -25.597 -11.6935 # jumping subtree containing (T0187)K150 jump= 0.993734 0.00559125 -0.0184492 0.110099 19.2197 29.7693 -3.70226 # jumping subtree containing (T0187)Y220 jump= -0.580664 -0.163087 0.795607 0.0569347 -133.759 -26.4466 245.923 # jumping subtree containing (T0187)T160 jump= -0.0716321 0.528841 -0.843447 0.0615829 -200.043 -100.718 147.554 # jumping subtree containing (T0187)P91 jump= -0.79588 -0.293957 -0.529295 0.00333553 -193.361 115.166 -119.194 # jumping subtree containing (T0187)T236 jump= -0.0829099 -0.0551349 -0.615265 -0.782007 -379.141 76.1894 -36.1342 # jumping subtree containing (T0187)G171 jump= 0.116095 0.530341 -0.404182 0.736137 -212.641 156.422 241 # jumping subtree containing (T0187)G171 jump= -0.992906 -0.0799038 -0.0655415 0.0587929 -3.84065 5.38241 -48.1392 # jumping subtree containing (T0187)P91 jump= 0.984214 0.107265 0.140233 0.0123563 -11.0236 22.5229 -71.2861 # jumping subtree containing (T0187)V228 jump= 0.695047 -0.374576 -0.38206 0.480243 -33.9749 199.369 107.019 # jumping subtree containing (T0187)G171 jump= 0.525889 -0.21863 0.124422 0.812503 -117.879 231.043 -72.4987 # jumping subtree containing (T0187)L118 jump= 0.324178 0.691447 -0.420749 -0.489673 -7.98278 -28.1842 -39.8283 # jumping subtree containing (T0187)K150 jump= 0.58503 -0.156809 0.72125 -0.336081 -243.612 -41.648 -24.8878 # jumping subtree containing (T0187)T236 jump= -0.89359 0.43972 -0.089244 0.0133627 -1.98271 -10.2235 66.8817 # generation 148: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 393 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2932 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Y220 jump= 0.151661 0.54666 -0.346128 -0.747233 -124.252 -25.4965 -107.576 # jumping subtree containing (T0187)L131 jump= 0.942076 -0.27143 -0.136914 0.141682 35.4186 29.4566 81.7411 # jumping subtree containing (T0187)A180 jump= -0.999709 -0.0216311 -0.00762145 0.00750835 10.673 -3.78984 -7.9883 # jumping subtree containing (T0187)T236 jump= 0.524518 0.660737 0.52239 0.124162 -190.356 217.775 -34.146 # jumping subtree containing (T0187)E218 jump= -0.997423 -0.0381743 -0.01619 0.0585428 -21.0726 -30.5136 -21.5104 # jumping subtree containing (T0187)G171 jump= -0.28086 0.16953 -0.917971 0.222949 -325.291 -46.7441 111.864 # jumping subtree containing (T0187)T236 jump= 0.235436 -0.328586 -0.595716 0.694063 -263.771 224.793 88.7254 # jumping subtree containing (T0187)A180 jump= -0.482469 -0.079037 -0.497125 -0.716829 -228.633 160.571 -82.5375 # Removing break before 40 # jumping subtree containing (T0187)Y220 jump= -0.118563 0.936518 0.220805 -0.245197 -40.7045 193.075 93.9539 # jumping subtree containing (T0187)A180 jump= -0.99395 -0.00794328 0.0748196 -0.0800191 29.2213 32.826 33.2124 # jumping subtree containing (T0187)A180 jump= -0.643054 -0.451548 0.245482 0.567736 -108.703 -15.7129 -69.5557 # jumping subtree containing (T0187)R172 jump= -0.243718 0.143883 -0.944185 -0.168565 -288.541 -59.3585 8.98955 # jumping subtree containing (T0187)G171 jump= -0.395723 0.764483 -0.504274 0.0683871 -61.1479 -53.6958 141.436 # jumping subtree containing (T0187)T236 jump= -0.725052 0.269393 0.518263 0.36487 -161.087 -79.1544 201.186 # jumping subtree containing (T0187)E218 jump= 0.756654 -0.24653 -0.587217 -0.1479 -86.7105 -3.72812 254.459 # jumping subtree containing (T0187)D109 jump= 0.572929 -0.535967 -0.600482 -0.154639 -161.003 77.7318 257.927 # jumping subtree containing (T0187)A180 jump= -0.958496 -0.205391 -0.0990013 0.171169 -51.9252 22.1762 -77.622 # generation 149: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 397 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2952 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.806027 0.545128 -0.178156 -0.146345 18.3187 -20.0044 13.8124 # jumping subtree containing (T0187)Q110 jump= 0.386469 0.700445 -0.12429 0.587002 -157.058 213.615 201.494 # jumping subtree containing (T0187)L131 jump= -0.590553 -0.778148 -0.0796197 -0.198477 -40.1673 229.817 77.6602 # jumping subtree containing (T0187)T236 jump= -0.999792 0.0143424 -0.0065865 0.0128856 -25.8657 -12.1828 -7.8212 # jumping subtree containing (T0187)T236 jump= 0.941937 0.0433852 0.322343 0.0834652 -48.3598 41.7455 -95.049 # jumping subtree containing (T0187)T236 jump= 0.99982 -0.00772976 -0.0110512 -0.0133665 13.1992 -21.207 18.2142 # jumping subtree containing (T0187)T236 jump= -0.374441 0.43174 0.765807 0.294847 -297.108 49.4469 219.434 # jumping subtree containing (T0187)T236 jump= 0.873292 0.413788 0.24945 -0.0625753 -59.493 77.3476 -98.4309 # jumping subtree containing (T0187)S127 jump= 0.0453371 0.757093 -0.643559 -0.102889 -37.6587 -53.2577 145.707 # jumping subtree containing (T0187)I158 jump= -0.835357 -0.412606 0.238661 -0.273819 5.22901 129.035 106.025 # jumping subtree containing (T0187)R103 jump= -0.729922 -0.679885 -0.0225529 0.0667978 -19.7568 156.065 -27.1268 # jumping subtree containing (T0187)T236 jump= -0.588538 0.512288 0.381868 0.49534 -214.676 8.6701 212.98 # generation 150: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 404 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2969 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I232 jump= -0.204964 -0.832529 0.427943 -0.285922 -71.2022 37.646 235.15 # jumping subtree containing (T0187)W204 jump= 0.99584 -0.0752678 -0.0478338 -0.0187147 -7.98144 -24.0966 6.93502 # jumping subtree containing (T0187)D115 jump= -0.673454 0.293576 -0.531123 -0.422116 -132.607 12.2238 -74.5127 # jumping subtree containing (T0187)T236 jump= -0.117495 0.0556978 -0.832247 0.538942 -370.293 63.4585 138.587 # jumping subtree containing (T0187)Y220 jump= 0.8481 0.435403 0.03912 0.299367 -5.9111 204.123 7.41449 # jumping subtree containing (T0187)T236 jump= 0.731723 0.0664959 -0.20711 0.645961 -92.2518 239.037 78.7838 # jumping subtree containing (T0187)L131 jump= 0.587483 -0.697412 0.362355 0.19282 1.01392 -53.4349 22.5759 # jumping subtree containing (T0187)K150 jump= -0.918219 0.0468591 -0.376861 -0.112487 -46.2489 1.4782 -90.2378 # jumping subtree containing (T0187)T236 jump= -0.998216 -0.0492752 -0.0330501 -0.00661251 -25.6426 19.1155 -12.2931 # jumping subtree containing (T0187)K150 jump= 0.824236 0.136959 -0.505149 0.216108 -34.1803 79.3021 167.706 # jumping subtree containing (T0187)T236 jump= 0.367236 -0.683438 -0.622422 -0.103156 -187.634 160.21 245.366 # jumping subtree containing (T0187)E211 jump= 0.59704 0.691602 -0.355687 -0.196766 19.1223 -9.92747 28.698 # Removing break before 40 # generation 151: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 408 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 2989 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D115 jump= -0.103145 -0.509446 0.848683 0.0977947 -153.205 -128.191 149.368 # jumping subtree containing (T0187)R230 jump= -0.974611 -0.102965 -0.0738518 0.184604 -44.8438 -47.5045 -18.553 # jumping subtree containing (T0187)T236 jump= 0.981854 -0.124006 -0.0543038 0.132801 27.4973 24.8284 37.1875 # jumping subtree containing (T0187)T236 jump= -0.795068 0.537187 -0.259428 0.109519 -44.7125 -84.4566 41.6582 # jumping subtree containing (T0187)D115 jump= -0.999683 -0.0215338 -0.0120521 0.00500855 -6.17955 14.8731 2.41086 # jumping subtree containing (T0187)D115 jump= 0.286811 0.354506 -0.0568775 -0.888161 -230.766 48.6927 -86.6617 # jumping subtree containing (T0187)T236 jump= -0.404866 -0.751925 -0.455781 -0.250911 -165.977 262.447 1.7797 # jumping subtree containing (T0187)L131 jump= 0.970127 0.205448 0.0599656 -0.114236 -27.7539 8.82842 -26.5741 # generation 152: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 410 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 3011 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing (T0187)G171 jump= 0.868794 -0.145159 0.308772 0.358866 -34.1607 94.8349 -97.0928 # jumping subtree containing (T0187)I141 jump= 0.896728 0.0540048 0.229651 0.374465 -55.5998 98.7385 -59.6105 # jumping subtree containing (T0187)E218 jump= -0.998014 0.0563714 -0.00622852 0.0274298 -15.0045 -28.0531 -10.3129 # jumping subtree containing (T0187)G135 jump= -0.855017 0.278161 -0.266259 -0.347387 -41.3065 52.7382 -64.6539 # jumping subtree containing (T0187)K150 jump= -0.976282 0.0228926 -0.0994022 0.190967 -71.8535 -69.0574 -10.9361 # jumping subtree containing (T0187)E218 jump= -0.828158 -0.207597 0.040517 0.519053 -125.576 -104.481 -29.0299 # jumping subtree containing (T0187)T236 jump= 0.670348 0.389703 0.20025 -0.598886 -172.964 13.4697 -130.759 # jumping subtree containing (T0187)K150 jump= -0.770866 -0.248923 0.528548 -0.253849 -12.2258 83.0643 151.761 # jumping subtree containing (T0187)V108 jump= -0.502679 -0.586073 0.310922 0.554219 -72.5682 -13.0813 -55.5497 # jumping subtree containing (T0187)I158 jump= 0.62834 -0.728264 0.271395 0.0341284 -14.1336 -24.2102 73.2281 # jumping subtree containing (T0187)P91 jump= 0.975639 -0.0179864 -0.136242 -0.171006 -2.89048 -37.3522 51.9446 # jumping subtree containing (T0187)G171 jump= -0.934278 -0.173809 -0.0988939 0.295185 -66.6995 -22.6939 -48.0649 # jumping subtree containing (T0187)P91 jump= -0.584843 0.629727 -0.332092 -0.388738 1.74668 31.2076 -11.9485 # jumping subtree containing (T0187)I158 jump= -0.0859208 -0.744705 -0.611001 0.254383 -169.595 250.933 48.9423 # jumping subtree containing (T0187)S127 jump= 0.305156 0.564389 -0.708393 -0.29415 -59.2304 -82.1562 80.3245 # generation 153: best score out of 40: T0187.try1-al4-scwrl 67.9875 cost/residue, 200 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 414 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 3031 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= 0.973093 0.0780936 -0.149003 0.157449 42.2808 70.9312 39.7422 # jumping subtree containing (T0187)V108 jump= 0.26166 -0.581748 -0.572969 -0.514597 -277.899 87.8559 221 # jumping subtree containing (T0187)R103 jump= -0.592819 -0.316115 0.706528 -0.222385 -90.4887 38.1799 271.954 # jumping subtree containing (T0187)W204 jump= -0.525222 0.713175 -0.229527 0.403534 -105.034 -81.7899 178.11 # jumping subtree containing (T0187)T160 jump= -0.832922 0.380696 -0.401441 -0.012532 -53.1509 -70.7631 -21.8308 # jumping subtree containing (T0187)K150 jump= 0.964206 0.222206 0.012839 -0.144107 -7.15883 8.08129 -52.4821 # jumping subtree containing (T0187)E218 jump= 0.999085 -0.00907914 0.0417764 0.000725791 -18.282 0.785846 -22.0339 # jumping subtree containing (T0187)I232 jump= 0.222202 0.908277 -0.0699904 -0.347507 -23.2242 121.86 -42.6878 # jumping subtree containing (T0187)S127 jump= 0.812654 0.397946 -0.0940086 -0.415205 -68.5499 -39.7362 -69.0454 # jumping subtree containing (T0187)T236 jump= 0.945413 0.294001 -0.0672159 0.123445 16.0779 96.6254 -10.9316 # jumping subtree containing (T0187)T236 jump= -0.654437 -0.301174 0.137035 0.679874 -209.565 -72.1757 -72.4251 # jumping subtree containing (T0187)V228 jump= 0.855268 0.155221 -0.465084 -0.167688 -27.1086 -75.5592 139.079 # jumping subtree containing (T0187)L131 jump= 0.724101 -0.0789368 0.177815 0.661686 -63.094 208.258 -53.4413 # jumping subtree containing (T0187)G170 jump= 0.703941 -0.641385 -0.276867 0.128204 -20.5186 115.236 190.747 # jumping subtree containing (T0187)G171 jump= -0.624187 -0.021878 -0.278883 -0.729477 -150.268 195.61 -48.261 # jumping subtree containing (T0187)D115 jump= -0.980358 0.101355 0.0857951 0.145824 -32.0331 -80.6782 45.9959 # jumping subtree containing (T0187)V136 jump= 0.348131 -0.210731 -0.115635 0.906105 -143.357 244.68 -9.05284 # generation 154: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 419 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 274 ## OptSubtree 3049 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S127 jump= -0.20693 -0.753815 -0.618337 -0.0812522 -240.942 263.202 98.185 # jumping subtree containing (T0187)T236 jump= 0.716611 0.689454 0.0469286 0.0944397 -29.1509 165.418 -11.9293 # jumping subtree containing (T0187)D109 jump= -0.292965 0.261887 -0.919271 0.0229837 -259.394 -80.5178 55.348 # jumping subtree containing (T0187)Y220 jump= 0.522624 0.512616 -0.654335 0.189565 -60.5671 31.1555 220.728 # jumping subtree containing (T0187)D115 jump= 0.972581 0.229579 -0.00953392 -0.0358959 -7.01968 20.0696 -2.01373 # jumping subtree containing (T0187)T236 jump= 0.452227 0.710499 0.536537 0.0530004 -177.072 240.517 -56.3455 # jumping subtree containing (T0187)K150 jump= -0.915538 -0.370762 0.0609486 0.143564 -30.3842 13.485 -40.3203 # generation 155: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 421 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3075 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= 0.299319 0.351529 0.81966 0.339108 -371.408 156.424 33.798 # jumping subtree containing (T0187)S127 jump= -0.284627 0.88741 0.362448 0.0111033 -79.8128 215.549 247.825 # jumping subtree containing (T0187)G171 jump= 0.990445 0.0714662 0.117945 0.000997058 -43.1721 24.3484 -46.86 # jumping subtree containing (T0187)T160 jump= 0.571065 -0.355993 -0.553497 0.490708 -120.744 201.644 157.588 # Removing break before 40 # jumping subtree containing (T0187)S127 jump= 0.470184 0.869024 0.101363 0.115969 -59.2759 257.588 64.1676 # jumping subtree containing (T0187)G171 jump= -0.992642 -0.0250092 -0.118464 -0.00182645 -22.9211 22.7103 -19.6368 # jumping subtree containing (T0187)D115 jump= -0.743112 0.227096 -0.0278762 0.628837 -206.738 -102.421 42.1159 # jumping subtree containing (T0187)I141 jump= 0.76099 0.228488 0.60204 0.0789623 -174.433 94.7042 -114.08 # jumping subtree containing (T0187)G171 jump= -0.343389 0.161149 0.730315 0.568115 -298.747 -54.6283 110.573 # jumping subtree containing (T0187)V228 jump= 0.80813 0.162771 0.529735 -0.199532 -192.982 9.54412 -133.755 # jumping subtree containing (T0187)I232 jump= 0.439452 -0.0840386 0.575552 0.684514 -254.028 127.594 -122.775 # jumping subtree containing (T0187)R103 jump= 0.931849 0.225434 -0.0614655 0.277594 18.5774 123.226 7.56954 # generation 156: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 422 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3104 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D115 jump= 0.987337 0.00317085 0.0391301 0.153701 12.0697 38.936 -39.4634 # jumping subtree containing (T0187)G171 jump= -0.55003 0.617499 0.521334 0.21065 -136.195 81.1539 246.434 # jumping subtree containing (T0187)G135 jump= -0.800249 0.135537 0.538848 0.225551 -62.9525 -54.1959 202.547 # jumping subtree containing (T0187)K238 jump= 0.948664 -0.0113706 -0.278265 0.14992 22.9719 36.1765 115.241 # jumping subtree containing (T0187)V108 jump= -0.374394 -0.887635 0.251364 -0.093543 14.1586 105.421 117.122 # jumping subtree containing (T0187)D115 jump= -0.0746072 -0.65689 -0.640454 -0.39083 -275.216 194.502 142.612 # jumping subtree containing (T0187)L131 jump= -0.994063 -0.015698 0.0483219 -0.0962138 27.599 50.0898 30.2544 # jumping subtree containing (T0187)I141 jump= 0.0355686 0.873587 0.0840464 -0.478034 -35.7186 178.345 -29.5322 # jumping subtree containing (T0187)T116 jump= 0.999387 -0.0127677 0.00353676 -0.0324057 -0.625437 4.72073 19.9466 # jumping subtree containing (T0187)V228 jump= 0.818944 0.055211 0.245396 -0.515813 -224.125 -79.5356 -54.6608 # jumping subtree containing (T0187)K150 jump= -0.109325 0.314134 -0.16339 0.928801 -298.275 93.1235 107.58 # jumping subtree containing (T0187)T236 jump= -0.565681 -0.499018 -0.481534 0.446219 -229.318 112.43 -102.964 # jumping subtree containing (T0187)G171 jump= 0.933302 0.0651528 0.308996 -0.17095 -123.085 -29.8234 -55.3419 # jumping subtree containing (T0187)T236 jump= -0.0979594 -0.232163 0.319512 -0.913464 -323.126 159.249 122.809 # generation 157: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 425 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3125 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I158 jump= 0.320592 0.219894 -0.877517 0.28077 -211.344 18.6355 208.544 # jumping subtree containing (T0187)D115 jump= -0.276352 -0.111891 -0.189766 0.935467 -308.548 72.8239 -24.4736 # jumping subtree containing (T0187)T236 jump= -0.997557 -0.0497654 -0.0123643 0.0474324 -5.88029 -12.2743 16.5055 # jumping subtree containing (T0187)I232 jump= -0.366574 0.11578 -0.877347 0.287193 -337.432 -52.8343 22.1589 # jumping subtree containing (T0187)I141 jump= 0.443585 -0.779255 -0.291181 0.333478 -28.4421 200.791 127.618 # Removing break before 40 # jumping subtree containing (T0187)Q110 jump= 0.864762 -0.000119381 0.0772498 0.496205 -32.9023 182.163 -28.9695 # jumping subtree containing (T0187)A180 jump= 0.908822 0.286476 0.230119 0.197534 -61.2718 121.185 -105.155 # jumping subtree containing (T0187)K150 jump= 0.869278 -0.312334 -0.195527 0.329503 17.597 140.24 93.2551 # jumping subtree containing (T0187)G135 jump= -0.244708 0.513804 0.284256 -0.771571 -128.335 246.147 13.292 # jumping subtree containing (T0187)E140 jump= 0.992459 0.00268809 -0.0628566 -0.105195 0.0447283 -19.6002 18.4474 # jumping subtree containing (T0187)T236 jump= -0.462976 0.0436428 0.667792 -0.581207 -205.12 213.02 204.26 # jumping subtree containing (T0187)V108 jump= -0.000722467 0.955979 -0.160858 0.245415 -59.2561 113.745 216.008 # generation 158: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 428 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3146 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= 0.437352 -0.419291 0.690302 -0.395476 -265.439 -108.238 116.654 # jumping subtree containing (T0187)I141 jump= -0.272741 0.491629 0.750963 0.346365 -252.08 64.2947 188.563 # jumping subtree containing (T0187)Q110 jump= -0.952954 0.189045 0.236098 -0.0199658 20.7333 -25.0694 125.3 # jumping subtree containing (T0187)R103 jump= -0.466206 -0.554995 0.656038 -0.210348 -35.684 30.3825 249.266 # jumping subtree containing (T0187)G171 jump= 0.806601 0.222403 0.547566 -0.0101845 -182.224 67.9178 -118.012 # jumping subtree containing (T0187)T236 jump= 0.986001 0.0433341 0.0533773 0.151906 -9.22971 42.5493 -8.28946 # jumping subtree containing (T0187)G171 jump= 0.863415 -0.0403139 0.350944 0.360177 -52.6938 91.3447 -71.2228 # jumping subtree containing (T0187)T236 jump= -0.312278 0.448252 -0.71174 0.441565 -292.101 -92.6494 131.014 # jumping subtree containing (T0187)Q110 jump= 0.963024 -0.0342367 0.266485 0.0199459 -51.6818 8.42187 -73.3875 # jumping subtree containing (T0187)E218 jump= -0.26375 -0.689946 0.39913 0.543236 -66.0778 -38.7952 -84.2264 # jumping subtree containing (T0187)G171 jump= 0.999742 0.0138874 0.0171979 0.00524632 -7.35479 15.6427 -14.2943 # jumping subtree containing (T0187)G171 jump= 0.759496 -0.213342 0.459062 0.40855 -81.6502 49.8314 -114.629 # jumping subtree containing (T0187)K150 jump= 0.827835 -0.148482 -0.144597 -0.521281 -149.852 -89.9657 54.6927 # jumping subtree containing (T0187)T236 jump= -0.892588 -0.133673 -0.42968 -0.028174 -115.569 49.5714 -148.982 # jumping subtree containing (T0187)G171 jump= -0.129213 0.861777 0.100518 0.480146 -151.309 158.704 245.944 # jumping subtree containing (T0187)A180 jump= 0.990623 -0.0587357 -0.122474 0.0147273 9.87707 2.85622 30.5464 # jumping subtree containing (T0187)A180 jump= 0.510547 0.595018 0.433073 0.444683 -180.421 274.91 -18.5593 # jumping subtree containing (T0187)G171 jump= 0.0518907 0.9918 -0.0650401 0.0970068 9.7325 170.424 159.482 # generation 159: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 429 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3169 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= -0.00552439 -0.102368 0.0889922 -0.990743 -305.944 200.887 38.5303 # jumping subtree containing (T0187)E235 jump= 0.974261 0.0352223 -0.185908 0.122527 35.6538 70.0917 67.9445 # jumping subtree containing (T0187)E218 jump= 0.965533 -0.212391 -0.138316 0.0592063 22.6474 14.3697 101.307 # jumping subtree containing (T0187)K238 jump= -0.789323 0.119537 -0.247502 0.54902 -201.514 -126.523 17.0032 # jumping subtree containing (T0187)V108 jump= 0.855292 -0.491705 -0.163401 -0.00116874 8.06719 10.3872 132.342 # jumping subtree containing (T0187)T236 jump= -0.721452 -0.509033 0.263763 0.388357 -47.5572 -58.1335 -7.71241 # jumping subtree containing (T0187)P91 jump= 0.610979 0.450296 0.319934 0.56708 -173.73 266.52 -21.8784 # jumping subtree containing (T0187)D115 jump= -0.994597 0.0139767 0.0989716 -0.0280529 14.8776 11.0183 45.6482 # jumping subtree containing (T0187)Q110 jump= 0.94015 -0.121455 -0.302707 0.0986649 23.4249 36.5159 123.741 # jumping subtree containing (T0187)A180 jump= -0.550481 0.377058 0.741766 -0.0676861 -159.073 96.4397 236.619 # jumping subtree containing (T0187)R103 jump= 0.666594 -0.400489 0.30855 0.547776 -64.0774 101.057 -91.5596 # jumping subtree containing (T0187)I141 jump= 0.999666 0.0174278 0.00786113 0.0173871 10.4441 27.7373 4.21269 # jumping subtree containing (T0187)A180 jump= 0.860401 0.439347 -0.151781 -0.20892 -7.15516 36.1537 -49.9743 # jumping subtree containing (T0187)V108 jump= 0.889184 -0.450531 -0.0308765 0.0736222 24.3087 20.9082 89.4365 # jumping subtree containing (T0187)G171 jump= -0.950528 -0.289453 -0.105346 0.0402024 -44.982 60.4939 -61.9083 # jumping subtree containing (T0187)K150 jump= -0.999996 0.00121159 -0.0026769 0.000455971 2.99589 -18.9022 -6.79063 # jumping subtree containing (T0187)S127 jump= 0.518484 0.61865 -0.0558736 -0.587643 -86.548 46.1372 -87.1139 # jumping subtree containing (T0187)G171 jump= -0.308673 -0.51218 0.201575 0.775732 -179.266 26.6412 -108.998 # generation 160: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 436 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3186 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= 0.995107 0.0963178 -0.00661118 -0.0209907 -16.897 -10.2783 -27.3844 # Removing break before 80 # jumping subtree containing (T0187)Q110 jump= -0.82711 0.0614481 -0.482447 0.281705 -201.685 -45.299 -49.2958 # jumping subtree containing (T0187)I158 jump= 0.890822 -0.382314 0.234403 -0.0729875 -34.5393 -65.7201 38.151 # jumping subtree containing (T0187)T236 jump= -0.980526 0.00470757 0.0398667 0.192241 -9.24065 -66.617 25.1328 # jumping subtree containing (T0187)K150 jump= 0.174502 -0.520094 0.0536024 0.834373 -166.233 165.147 -111.263 # jumping subtree containing (T0187)G171 jump= -0.850924 -0.0794021 -0.173567 0.489385 -153.991 -77.2242 -58.59 # jumping subtree containing (T0187)E218 jump= -0.607421 0.787933 0.0727497 -0.0700704 -8.56434 56.5259 153.196 # jumping subtree containing (T0187)A180 jump= -0.871277 -0.0171492 0.0908687 -0.482001 27.0756 189.029 17.4529 # generation 161: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 443 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3203 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E175 jump= 0.999301 0.0367289 -0.00525826 0.00463487 16.286 15.6688 9.442 # jumping subtree containing (T0187)T236 jump= -0.866448 0.0221113 -0.0178714 0.498458 -145.139 -135.803 6.2977 # jumping subtree containing (T0187)R103 jump= 0.98566 0.0540685 -0.11364 0.112415 36.406 43.6757 34.2835 # jumping subtree containing (T0187)D115 jump= 0.743166 -0.356079 -0.499934 -0.266417 -100.025 -56.0428 222.256 # jumping subtree containing (T0187)T236 jump= -0.998768 0.0396547 0.0265214 -0.0136805 17.7168 -19.3527 18.5153 # jumping subtree containing (T0187)G171 jump= 0.828501 -0.130284 -0.543884 0.0283221 -41.654 37.071 204.301 # Removing break before 80 # jumping subtree containing (T0187)G171 jump= -0.850871 -0.0205575 -0.386078 0.355724 -181.73 -71.189 -73.2336 # jumping subtree containing (T0187)P91 jump= -0.903177 0.0572737 0.344128 0.250135 -79.2457 -65.8411 121.316 # jumping subtree containing (T0187)T236 jump= -0.587983 -0.512055 0.131946 0.612099 -137.882 -41.7637 -101.846 # jumping subtree containing (T0187)D115 jump= -0.730201 0.0287453 -0.474065 0.491165 -234.348 -58.5971 -46.5272 # jumping subtree containing (T0187)T236 jump= 0.111205 0.376804 0.434867 -0.810274 -318.344 189.115 -31.125 # jumping subtree containing (T0187)S127 jump= -0.790183 -0.0638573 0.609526 -0.00328423 -49.077 5.21012 230.438 # jumping subtree containing (T0187)D115 jump= -0.875433 0.272368 -0.0674561 -0.393551 8.90039 93.5253 19.7481 # generation 162: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 445 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3225 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q110 jump= 0.525022 -0.318929 0.121792 0.779617 -112.367 206.672 -65.4352 # jumping subtree containing (T0187)A180 jump= -0.137401 0.803299 -0.564048 -0.132973 -3.09126 -55.1084 88.9491 # jumping subtree containing (T0187)E218 jump= 0.746083 0.536152 0.118758 -0.376559 -93.2635 41.7211 -110.106 # jumping subtree containing (T0187)G135 jump= 0.988475 0.120603 -0.0257802 -0.0877967 -14.7826 -6.37753 -7.20312 # jumping subtree containing (T0187)E218 jump= -0.976636 -0.148693 0.155143 -0.00178088 23.1614 28.5952 58.6294 # jumping subtree containing (T0187)W204 jump= -0.656787 0.641123 0.323474 -0.230124 -10.6742 160.033 135.089 # jumping subtree containing (T0187)G171 jump= -0.923012 -0.202707 -0.29957 0.13121 -112.093 27.0586 -116.286 # jumping subtree containing (T0187)G171 jump= -0.273311 0.684583 -0.0700476 -0.672116 -24.2753 145.338 -51.7463 # jumping subtree containing (T0187)G171 jump= -0.703318 -0.190155 -0.0486916 -0.683238 -88.8421 273.057 23.0186 # jumping subtree containing (T0187)Q110 jump= 0.138401 -0.78977 -0.58502 0.121897 -176.543 249.195 165.133 # jumping subtree containing (T0187)G171 jump= -0.791253 -0.0836107 -0.351125 -0.493599 -104.438 164.276 -108.062 # jumping subtree containing (T0187)G171 jump= 0.912624 0.174935 -0.116697 -0.350565 -65.7001 -77.7912 -13.3239 # jumping subtree containing (T0187)S208 jump= -0.165694 -0.215844 -0.641356 -0.717369 -361.377 120.993 7.91423 # jumping subtree containing (T0187)T236 jump= -0.993865 0.0863831 0.00663484 -0.0687507 2.72687 10.4375 35.2266 # generation 163: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 453 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3241 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)W204 jump= 0.511034 0.157697 -0.659906 0.527732 -164.12 132.833 213.707 # jumping subtree containing (T0187)G171 jump= 0.72648 0.643147 -0.0237148 -0.240888 -34.4346 90.0975 -45.7513 # jumping subtree containing (T0187)Q110 jump= 0.971647 -0.083784 -0.0262057 -0.219533 -54.6851 -75.0383 43.0267 # jumping subtree containing (T0187)D109 jump= -0.486784 -0.634987 0.59975 -0.011499 -8.94075 -6.2235 168.674 # jumping subtree containing (T0187)P237 jump= -0.719566 -0.476493 -0.505119 0.0057889 -147.169 173.134 -133.759 # jumping subtree containing (T0187)E218 jump= -0.590335 0.330549 0.688749 0.26051 -183.949 -4.21903 280.922 # jumping subtree containing (T0187)G171 jump= -0.854128 0.198125 -0.391252 -0.279522 -63.0081 3.37684 -72.1555 # jumping subtree containing (T0187)G171 jump= 0.950421 0.126136 -0.280217 0.0476308 8.69602 36.8254 86.4912 # jumping subtree containing (T0187)G171 jump= -0.538492 0.452419 -0.250483 -0.665283 -82.6737 133.243 -83.0755 # jumping subtree containing (T0187)A180 jump= -0.809383 0.0794812 -0.204023 -0.544936 -40.4748 144.032 -71.1047 # generation 164: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 463 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3255 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= -0.550658 -0.762304 0.312079 0.135188 31.5567 44.9384 55.6863 # jumping subtree containing (T0187)T116 jump= -0.256797 0.536623 -0.803796 -0.00177566 -169.091 -115.694 94.5369 # jumping subtree containing (T0187)G171 jump= -0.734425 -0.392318 0.218171 0.509026 -106.553 -57.766 -37.4043 # jumping subtree containing (T0187)G171 jump= 0.353267 0.23105 -0.0483415 0.905252 -240.981 259.651 90.0035 # jumping subtree containing (T0187)L131 jump= -0.641733 0.434634 0.267065 0.572668 -201.234 -75.591 192.537 # jumping subtree containing (T0187)R103 jump= 0.976196 -0.155789 0.057163 0.139656 12.5267 15.0441 6.10425 # jumping subtree containing (T0187)D115 jump= 0.884336 -0.455864 -0.058497 0.0819464 21.556 2.50928 74.8188 # jumping subtree containing (T0187)P91 jump= -0.0475495 0.9396 0.115267 -0.318753 -24.8725 212.618 66.772 # jumping subtree containing (T0187)T236 jump= -0.229422 -0.569165 -0.776536 -0.142857 -325.584 219.104 46.6512 # jumping subtree containing (T0187)P91 jump= 0.982466 -0.00773433 -0.165187 0.0861041 25.607 52.0703 71.1742 # jumping subtree containing (T0187)G171 jump= -0.887646 -0.101764 -0.210722 0.396642 -148.464 -57.0878 -79.466 # jumping subtree containing (T0187)T236 jump= 0.0437462 0.746346 -0.439052 0.498285 -165.291 38.6751 253.352 # jumping subtree containing (T0187)P91 jump= -0.350902 0.711046 0.33496 0.509002 -254.969 82.353 272.016 # jumping subtree containing (T0187)I155 jump= 0.384342 -0.686874 0.420803 -0.451009 -159.967 -50.1245 193.509 # jumping subtree containing (T0187)G171 jump= -0.79281 0.567964 0.217195 0.0411632 -19.0301 36.4661 185.579 # jumping subtree containing (T0187)L131 jump= -0.303311 -0.517374 -0.643448 -0.475711 -307.309 187.61 54.5853 # generation 165: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 472 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3270 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K150 jump= 0.502585 0.307077 -0.787541 -0.18136 -123.191 -87.9395 131.974 # jumping subtree containing (T0187)G171 jump= 0.975411 0.0708335 0.0934395 -0.186615 -76.1211 -28.8976 -29.461 # jumping subtree containing (T0187)E211 jump= -0.980692 -0.192189 0.0196653 -0.030335 6.39501 43.9676 11.8647 # jumping subtree containing (T0187)I158 jump= -0.432294 0.178143 -0.811339 -0.35088 -245.42 -11.0476 -68.6571 # jumping subtree containing (T0187)G171 jump= 0.120053 0.529366 0.329278 0.772616 -298.093 199.57 149.256 # jumping subtree containing (T0187)G171 jump= 0.197713 0.0751054 -0.963473 -0.164282 -265.829 -66.5424 164.64 # jumping subtree containing (T0187)E211 jump= -0.505026 0.639834 0.517235 0.260825 -143.453 94.0372 246.44 # generation 166: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 478 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3288 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V228 jump= -0.94875 -0.254163 -0.0950252 0.162005 -31.0679 -8.67515 -51.3153 # jumping subtree containing (T0187)E218 jump= 0.848436 0.486231 0.162286 -0.131908 -39.3809 61.7268 -76.7628 # jumping subtree containing (T0187)I141 jump= -0.293559 -0.73789 -0.606179 -0.0434579 -191.174 238.472 20.3612 # jumping subtree containing (T0187)K150 jump= 0.0286471 0.056227 -0.241851 0.968259 -310.065 141.542 68.6308 # jumping subtree containing (T0187)P91 jump= -0.79425 -0.237878 0.1367 -0.54212 -29.1899 217.326 51.7329 # jumping subtree containing (T0187)T116 jump= -0.760456 -0.078887 0.556291 -0.325613 -18.4506 116.874 211.589 # jumping subtree containing (T0187)A180 jump= -0.994235 -0.0308519 -0.0519632 -0.0885755 12.9531 55.751 -8.95731 # jumping subtree containing (T0187)A180 jump= -0.928221 -0.03123 -0.360291 0.0872979 -96.8284 -13.7053 -90.168 # jumping subtree containing (T0187)G171 jump= -0.537682 0.362047 0.0809954 -0.757139 -82.0142 242.813 16.9116 # jumping subtree containing (T0187)G171 jump= -0.978971 0.139319 0.148861 -0.00679463 13.2581 -15.3964 93.8857 # jumping subtree containing (T0187)T236 jump= 0.999854 0.0163203 -0.0039464 -0.00313815 -10.1834 -4.11517 -4.864 # jumping subtree containing (T0187)E218 jump= -0.953726 0.0262486 -0.232836 0.188426 -86.8855 -37.6408 -50.6736 # jumping subtree containing (T0187)T236 jump= 0.885034 -0.0101933 0.279323 -0.372277 -138.139 -101.255 -71.2393 # jumping subtree containing (T0187)D115 jump= 0.992983 -0.016207 -0.0561503 -0.102807 -30.9535 -26.0951 23.6378 # jumping subtree containing (T0187)G171 jump= 0.813291 0.233819 -0.451033 0.283647 2.97793 87.7282 151.548 # jumping subtree containing (T0187)E140 jump= -0.781374 -0.321762 0.234118 -0.480742 -9.01723 198.87 86.9342 # jumping subtree containing (T0187)T236 jump= -0.6733 -0.408985 0.615911 -0.00719826 -47.0609 -9.32256 177.18 # generation 167: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 483 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3307 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K150 jump= -0.99885 -0.0418972 -0.0168474 -0.0161172 25.8165 24.2725 -7.11951 # jumping subtree containing (T0187)L131 jump= 0.84601 -0.209659 -0.24927 0.422107 14.8601 146.879 112.462 # jumping subtree containing (T0187)A180 jump= -0.999998 -0.00060922 -0.00112194 -0.00156448 -24.3437 6.71982 -3.2732 # jumping subtree containing (T0187)G171 jump= 0.985598 0.0273251 0.00921608 0.166629 10.6296 75.3917 -15.8323 # jumping subtree containing (T0187)E218 jump= -0.782118 -0.290066 0.500653 0.2313 -26.0498 -67.6942 119.412 # jumping subtree containing (T0187)T236 jump= -0.489529 0.00183266 -0.621549 0.611584 -359.044 -6.60634 -25.4505 # jumping subtree containing (T0187)V228 jump= -0.355174 0.00559259 -0.488166 0.797192 -379.394 31.8621 52.0415 # jumping subtree containing (T0187)V108 jump= 0.846863 -0.187097 0.383525 0.317373 -57.0123 25.9603 -73.7708 # jumping subtree containing (T0187)I141 jump= 0.989151 0.0428437 -0.140518 -0.000232257 19.134 21.5147 36.6227 # jumping subtree containing (T0187)A180 jump= -0.0361859 0.142823 -0.415709 0.897484 -314.161 172.892 102.919 # jumping subtree containing (T0187)V108 jump= 0.25185 0.528739 -0.656753 0.47506 -146.482 48.611 271.743 # jumping subtree containing (T0187)K150 jump= -0.0280318 0.919794 -0.258104 0.294238 -57.9656 85.5058 187.104 # jumping subtree containing (T0187)E218 jump= 0.978682 0.114216 0.108128 -0.132077 -47.8742 -15.9169 -62.1695 # jumping subtree containing (T0187)A180 jump= -0.79533 0.498645 0.261549 0.224488 -65.6862 -16.5261 194.343 # jumping subtree containing (T0187)E218 jump= 0.121733 0.152485 -0.239459 -0.951099 -288.238 37.8385 -48.5424 # generation 168: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 486 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3328 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E218 jump= -0.70866 -0.68223 -0.0614007 -0.169097 5.28242 189.953 19.7631 # jumping subtree containing (T0187)G171 jump= 0.224708 0.674769 -0.445683 -0.543654 -37.2452 -32.0164 -70.3912 # jumping subtree containing (T0187)E218 jump= -0.169264 -0.774281 -0.575943 -0.200319 -231.965 260.722 138.395 # jumping subtree containing (T0187)K150 jump= -0.464404 0.40484 0.775797 0.136283 -213.375 73.8457 212.352 # jumping subtree containing (T0187)T236 jump= 0.664706 0.392632 0.114029 -0.625302 -191.247 -18.267 -122.682 # jumping subtree containing (T0187)E218 jump= -0.838105 -0.376142 0.319691 0.232151 -13.235 -47.398 17.9532 # jumping subtree containing (T0187)G135 jump= -0.890846 -0.0125108 0.240055 -0.385499 29.5439 148.685 104.933 # jumping subtree containing (T0187)Y220 jump= 0.778647 -0.0494433 0.446881 0.437678 -139.104 100.377 -139.039 # jumping subtree containing (T0187)T236 jump= -0.894913 -0.0253717 0.0903398 0.436264 -128.051 -107.812 23.3766 # jumping subtree containing (T0187)S127 jump= 0.715284 -0.0472833 -0.263909 0.645356 -34.765 264.259 79.2906 # jumping subtree containing (T0187)T236 jump= -0.905879 0.376138 -0.0942669 0.170346 -72.3555 -87.7936 69.1127 # generation 169: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 488 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3350 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T160 jump= 0.999835 0.00662786 0.0163126 0.00445287 -3.60517 -12.1296 -32.2289 # jumping subtree containing (T0187)E218 jump= 0.690795 0.31633 0.434227 0.483926 -181.271 198.632 -56.4602 # jumping subtree containing (T0187)G171 jump= 0.954184 0.140514 -0.246389 -0.0952988 -11.7929 -0.784924 38.6605 # jumping subtree containing (T0187)E218 jump= -0.755122 0.261526 0.410139 0.439524 -161.223 -75.4426 199.783 # jumping subtree containing (T0187)A180 jump= 0.801203 0.182981 0.561033 0.0991682 -149.287 84.9623 -95.1403 # jumping subtree containing (T0187)G171 jump= 0.888308 -0.0662629 -0.133116 0.434508 5.56961 148.176 48.5711 # jumping subtree containing (T0187)A180 jump= -0.798639 -0.470224 -0.302049 -0.22323 -83.4637 205.086 -61.8366 # jumping subtree containing (T0187)E218 jump= -0.966059 0.0928999 -0.225708 0.0845941 -50.6306 -20.8807 -39.0357 # jumping subtree containing (T0187)G171 jump= 0.596266 0.428407 0.142904 -0.663712 -175.225 31.5922 -108.307 # jumping subtree containing (T0187)E218 jump= 0.17912 0.0569718 0.885482 0.424961 -345.21 27.9504 17.477 # jumping subtree containing (T0187)G171 jump= -0.995065 -0.0638866 -0.0147641 0.0744701 -38.7917 -20.2932 -4.91806 # jumping subtree containing (T0187)P91 jump= -0.0836481 0.0541788 0.829855 0.549007 -351.455 -31.0067 61.1592 # jumping subtree containing (T0187)D109 jump= -0.289047 0.774362 0.266093 0.495993 -227.088 99.5501 263.222 # generation 170: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 496 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3366 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= 0.882172 -0.165225 0.0484309 0.438324 -3.79665 124.726 2.06626 # jumping subtree containing (T0187)G171 jump= -0.665971 -0.270327 -0.0154167 -0.695103 -117.115 253.488 40.7269 # jumping subtree containing (T0187)T236 jump= 0.996089 0.0213233 0.00115843 -0.0857392 11.6844 -39.7068 -4.87728 # jumping subtree containing (T0187)I141 jump= 0.298703 0.946859 -0.112211 -0.0405281 0.831701 137.792 52.1327 # jumping subtree containing (T0187)A180 jump= -0.337167 0.685909 -0.305514 0.567898 -199 19.313 258.89 # jumping subtree containing (T0187)E218 jump= 0.152365 0.537798 -0.784009 0.269978 -169.488 -37.3751 214.433 # jumping subtree containing (T0187)Q110 jump= -0.921141 0.0348535 -0.278447 -0.269724 -46.637 81.0377 -80.4145 # jumping subtree containing (T0187)Q110 jump= -0.984941 -0.100197 0.124575 -0.0658261 13.6783 33.4532 8.06364 # jumping subtree containing (T0187)K238 jump= 0.557471 0.488114 -0.372531 -0.558741 -113.631 -77.4185 -37.2461 # jumping subtree containing (T0187)T236 jump= -0.204399 -0.278843 0.132611 -0.928914 -320.24 196.488 102.188 # jumping subtree containing (T0187)D115 jump= 0.965891 -0.0435325 0.254364 0.0213934 -49.0153 -21.6393 -62.0998 # jumping subtree containing (T0187)G171 jump= -0.325262 -0.270931 -0.859058 -0.287784 -355.087 120.892 -2.61778 # jumping subtree containing (T0187)E218 jump= 0.968572 -0.0754507 0.150518 0.183085 6.97968 36.6555 -56.9862 # jumping subtree containing (T0187)E218 jump= -0.154116 0.0524718 -0.950596 -0.264314 -352.924 -36.5063 36.9074 # jumping subtree containing (T0187)L131 jump= -0.944206 0.01466 0.122146 0.305518 -72.0233 -77.7051 33.2392 # jumping subtree containing (T0187)G171 jump= -0.977883 0.0850956 0.0607041 0.181156 -24.2377 -40.446 41.9456 # generation 171: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 498 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3388 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P237 jump= -0.663364 0.648905 0.238048 -0.286714 -13.8587 177.181 118.731 # jumping subtree containing (T0187)A180 jump= 0.917597 -0.115896 0.374629 -0.0650934 -93.1817 -37.101 -79.3714 # jumping subtree containing (T0187)G171 jump= -0.891179 -0.432243 -0.012453 0.137151 -19.0333 37.1068 -70.2792 # jumping subtree containing (T0187)G135 jump= 0.325403 -0.352676 -0.342861 0.807576 -140.704 273.258 49.9589 # jumping subtree containing (T0187)P91 jump= 0.487612 0.598557 -0.591249 -0.233216 -15.2449 -36.0122 63.061 # jumping subtree containing (T0187)G171 jump= -0.99896 -0.0124613 0.039966 0.0180727 24.2433 1.74313 9.6227 # jumping subtree containing (T0187)G171 jump= -0.900616 -0.419376 -0.113918 -0.00609417 -10.2103 112.195 -57.6453 # generation 172: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 504 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3406 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= 0.957296 0.119516 0.263251 5.325e-05 -69.6881 24.8797 -57.8137 # jumping subtree containing (T0187)V228 jump= -0.688777 -0.450634 -0.379355 -0.422617 -179.628 228.416 -48.3677 # jumping subtree containing (T0187)K150 jump= -0.757713 -0.356527 -0.412641 0.35845 -174.067 46.2406 -136.636 # jumping subtree containing (T0187)Q110 jump= -0.513507 -0.0794844 0.044537 0.853235 -303.5 -29.9788 -40.4052 # jumping subtree containing (T0187)E218 jump= 0.929666 0.0846679 -0.293698 -0.205657 -35.9074 -56.7416 54.8457 # jumping subtree containing (T0187)V108 jump= -0.849801 -0.19621 -0.0739534 0.483601 -136.449 -55.5051 -80.784 # jumping subtree containing (T0187)Q110 jump= -0.67006 -0.0870192 0.663791 0.32067 -138.16 -99.7362 154.864 # jumping subtree containing (T0187)T236 jump= -0.365659 -0.144349 0.48847 0.779008 -296.711 -87.9727 -7.33453 # jumping subtree containing (T0187)E218 jump= 0.913175 0.0845236 0.0404584 0.396649 -28.0546 164.582 4.2788 # Removing break before 40 # jumping subtree containing (T0187)P91 jump= 0.0248176 0.0166078 0.807849 0.588633 -320.775 7.23481 5.72691 # jumping subtree containing (T0187)L131 jump= -0.307325 -0.160913 -0.0760135 -0.934816 -227.267 229.602 18.8802 # jumping subtree containing (T0187)E218 jump= 0.180971 -0.459811 0.55335 -0.670543 -271.487 -8.36499 215.996 # jumping subtree containing (T0187)G171 jump= -0.998869 -0.0238207 -0.0049095 -0.0408617 -5.98906 10.1212 4.87537 # jumping subtree containing (T0187)E218 jump= -0.150062 0.300938 0.811367 0.478122 -330.767 39.7773 129.558 # generation 173: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 508 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3426 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D115 jump= 0.683322 0.714146 0.150551 -0.0200483 -41.1072 175.591 -20.0524 # jumping subtree containing (T0187)I155 jump= -0.6156 0.462208 0.635648 0.0579 -161.4 75.8529 235.384 # Removing break before 40 # jumping subtree containing (T0187)A180 jump= -0.878694 0.198028 -0.106464 -0.421126 20.2218 114.9 -21.866 # jumping subtree containing (T0187)I158 jump= -0.841036 -0.20166 0.49461 0.0857495 -10.3103 -47.1997 112.293 # jumping subtree containing (T0187)E218 jump= 0.994756 0.00481908 0.0520383 0.0879151 16.0407 49.5231 -3.06809 # jumping subtree containing (T0187)K150 jump= 0.956279 0.00603405 0.214085 0.199152 -33.0653 71.791 -78.2795 # jumping subtree containing (T0187)K150 jump= 0.290307 -0.778029 -0.260124 0.492674 -57.1791 220.117 13.2068 # jumping subtree containing (T0187)G171 jump= 0.537351 -0.517551 0.116501 -0.655608 -234.113 -55.7636 178.508 # jumping subtree containing (T0187)E140 jump= -0.819169 0.490078 -0.189393 -0.230037 1.6036 -4.93192 -3.70729 # Removing break before 40 # jumping subtree containing (T0187)V228 jump= 0.996605 0.0339611 0.0485813 0.0571328 18.1833 17.2476 -34.3652 # jumping subtree containing (T0187)W204 jump= 0.575243 -0.76455 0.0417399 -0.287779 -87.338 -13.1666 194.941 # jumping subtree containing (T0187)T236 jump= 0.944444 0.0286012 -0.208314 0.252613 11.4286 82.3137 68.9747 # jumping subtree containing (T0187)D115 jump= 0.595878 -0.292704 0.674348 0.323276 -178.286 -8.42368 -75.8324 # jumping subtree containing (T0187)G171 jump= -0.121071 0.187644 -0.946234 -0.234036 -293.869 -80.6046 52.96 # jumping subtree containing (T0187)E218 jump= -0.876185 -0.479412 -0.0387699 -0.0310103 -21.1659 126.793 -15.2 # jumping subtree containing (T0187)D109 jump= -0.754231 0.451844 -0.244242 -0.409047 3.26707 62.7417 -59.5195 # jumping subtree containing (T0187)S127 jump= 0.996294 0.0638184 0.0468659 0.0335926 -14.3755 25.2605 -6.09342 # jumping subtree containing (T0187)V117 jump= 0.391913 0.2799 0.874522 -0.0571965 -327.559 119.993 22.1209 # generation 174: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 512 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3446 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K150 jump= -0.878618 0.429668 0.201358 -0.053582 -14.2611 45.4319 112.186 # Removing break before 40 # jumping subtree containing (T0187)T236 jump= 0.999849 0.0128779 0.0101325 0.00573778 1.68291 -8.70752 -2.53768 # jumping subtree containing (T0187)G171 jump= -0.962276 -0.205002 -0.0569598 -0.169571 -6.86939 75.9146 -46.1517 # jumping subtree containing (T0187)G171 jump= -0.612965 -0.340274 -0.685962 -0.194791 -251.784 123.403 -97.188 # jumping subtree containing (T0187)E218 jump= 0.865809 -0.000273301 -0.490874 0.0970478 -16.3859 32.1493 163.999 # jumping subtree containing (T0187)Y220 jump= -0.999668 0.00358188 -0.0242949 -0.00783887 -9.62489 11.747 -31.109 # jumping subtree containing (T0187)G171 jump= 0.863075 -0.106578 0.315091 0.38008 -75.2281 96.8628 -92.4756 # jumping subtree containing (T0187)G171 jump= 0.953454 -0.0905745 -0.284264 0.0437672 28.9868 8.86449 125.585 # jumping subtree containing (T0187)A180 jump= 0.840181 -0.504666 0.196639 -0.0272295 -37.6397 -66.0857 67.1864 # jumping subtree containing (T0187)G171 jump= 0.625244 -0.104986 -0.740741 -0.22215 -141.697 -53.2928 198.903 # jumping subtree containing (T0187)E140 jump= -0.994198 0.101684 0.00883952 -0.0339473 -2.73854 -14.0059 25.6831 # jumping subtree containing (T0187)K150 jump= 0.97037 0.0587636 0.112642 0.205526 -2.07387 81.95 -68.0517 # Removing break before 40 # jumping subtree containing (T0187)W204 jump= -0.999628 0.02082 0.0141639 -0.0104307 -17.1751 9.16134 26.7926 # jumping subtree containing (T0187)G135 jump= 0.927273 -0.130173 -0.265974 0.229079 35.8723 88.4515 93.5506 # jumping subtree containing (T0187)T236 jump= 0.509518 -0.668701 -0.426526 0.333625 -77.5536 215.054 143.981 # jumping subtree containing (T0187)R103 jump= -0.795491 -0.430682 0.0381034 0.424565 -103.97 -4.47056 -76.9425 # jumping subtree containing (T0187)G171 jump= 0.876538 0.347113 0.16469 -0.289951 -94.3689 21.4904 -91.8905 # jumping subtree containing (T0187)E218 jump= 0.828944 0.0831495 -0.549636 -0.061952 -47.6968 -19.7297 193.745 # jumping subtree containing (T0187)G171 jump= -0.396212 -0.742255 -0.42521 -0.333573 -199.826 284.193 55.0626 # jumping subtree containing (T0187)E218 jump= 0.91808 0.285054 0.228109 0.154398 -51.0557 121.069 -55.394 # jumping subtree containing (T0187)T236 jump= 0.737851 0.198096 -0.202559 0.612621 -77.4697 215.079 122.277 # jumping subtree containing (T0187)T236 jump= -0.986023 0.0978703 -0.0452009 -0.127033 19.5002 15.3345 10.2847 # generation 175: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 517 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3465 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing (T0187)W204 jump= -0.759049 0.550513 -0.135039 0.320226 -92.1282 -112.057 137.781 # jumping subtree containing (T0187)E218 jump= -0.475191 0.543068 0.403045 0.562872 -229.139 -25.9386 239.15 # jumping subtree containing (T0187)G171 jump= -0.701051 0.00429803 0.24308 0.670389 -216.792 -73.2181 28.0782 # jumping subtree containing (T0187)K150 jump= -0.64883 -0.636866 -0.28404 -0.304536 -86.8033 228.545 -42.3757 # jumping subtree containing (T0187)W204 jump= -0.909575 0.287992 -0.0123241 -0.299302 34.4502 105.896 -4.55477 # jumping subtree containing (T0187)G171 jump= -0.985116 -0.0255243 0.127889 -0.111981 27.5779 40.9799 26.4981 # jumping subtree containing (T0187)V228 jump= 0.645348 0.724461 0.17415 -0.168387 -35.9513 135.007 -61.4756 # jumping subtree containing (T0187)R103 jump= 0.0771998 0.744127 -0.430232 -0.505188 -53.1457 -16.6346 -44.8219 # generation 176: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 521 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3485 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E218 jump= -0.908977 0.0263386 -0.415708 0.0159298 -88.7935 -23.0299 -91.8247 # jumping subtree containing (T0187)V228 jump= -0.591436 0.112151 0.711973 0.361552 -202.225 -64.4858 189.628 # jumping subtree containing (T0187)G171 jump= -0.992078 -0.104074 -0.0703354 0.00140343 -10.9737 22.0457 -62.3032 # jumping subtree containing (T0187)V228 jump= 0.912908 -0.308377 -0.262639 -0.0502246 -4.86748 -21.5149 119.789 # jumping subtree containing (T0187)T160 jump= 0.804646 -0.0669669 0.165332 -0.566326 -211.818 -88.7343 3.58757 # jumping subtree containing (T0187)L131 jump= -0.942427 0.129411 0.149725 -0.269568 15.821 65.7886 63.2887 # jumping subtree containing (T0187)T236 jump= 0.443792 -0.418906 0.3319 -0.719311 -294.736 -34.8344 149.535 # jumping subtree containing (T0187)I158 jump= -0.0711492 0.842692 -0.13161 -0.517191 0.329571 99.5765 -43.0311 # jumping subtree containing (T0187)G171 jump= 0.75588 0.129473 0.300264 0.567207 -125.804 194.214 -93.5022 # jumping subtree containing (T0187)T236 jump= -0.970944 -0.141136 0.187579 -0.0465019 29.5203 34.246 32.6108 # jumping subtree containing (T0187)P91 jump= -0.914189 -0.288535 0.226637 0.17217 -2.88551 -3.37747 7.22638 # jumping subtree containing (T0187)E218 jump= -0.942223 0.0135024 0.328605 -0.0636636 38.0968 23.5547 131.681 # jumping subtree containing (T0187)G171 jump= 0.0299461 0.375855 -0.897482 -0.228829 -191.473 -126.069 73.9765 # jumping subtree containing (T0187)D115 jump= -0.800225 0.371182 0.0771599 0.464661 -135.003 -108.218 135.311 # jumping subtree containing (T0187)Y220 jump= -0.975578 -0.206208 -0.0756718 -7.70423e-05 -34.1155 54.5513 -31.9085 # jumping subtree containing (T0187)G171 jump= 0.300304 -0.839017 0.453386 0.017594 -25.9969 -64.0566 137.701 # jumping subtree containing (T0187)G171 jump= -0.981367 -0.118934 -0.150159 -0.0150054 -28.1764 7.19859 -65.7232 # jumping subtree containing (T0187)K150 jump= -0.341216 -0.576348 -0.697078 -0.255883 -269.499 219.015 17.1643 # generation 177: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 527 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3503 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A180 jump= -0.477763 -0.491087 -0.44389 0.577527 -250.375 168.47 -90.1517 # jumping subtree containing (T0187)K150 jump= 0.910014 -0.406273 0.0205904 0.0799615 19.6474 31.6631 54.811 # Removing break before 40 # jumping subtree containing (T0187)E218 jump= 0.415651 -0.49906 0.500752 0.572207 -123.686 -2.97094 -123.831 # jumping subtree containing (T0187)G171 jump= -0.265146 0.288948 -0.91722 0.0701088 -267.088 -46.5531 96.4756 # Removing break before 40 # jumping subtree containing (T0187)T236 jump= 0.999039 0.0248263 0.0361194 -0.000894606 1.62263 4.47066 -18.2495 # jumping subtree containing (T0187)E218 jump= 0.88496 -0.378936 -0.268057 0.0374128 6.89797 14.1504 171.13 # jumping subtree containing (T0187)A180 jump= -0.989703 -0.131662 -0.00907663 0.055418 -22.3624 5.80239 -24.3039 # jumping subtree containing (T0187)E218 jump= -0.825602 0.209077 0.324405 -0.411618 -8.53155 149.542 147.238 # jumping subtree containing (T0187)T236 jump= -0.611479 0.790013 0.00220796 -0.0443668 -20.3214 46.6595 129.156 # jumping subtree containing (T0187)T236 jump= 0.999744 -0.0161764 0.0074974 0.0139035 9.0743 -9.0802 -3.00237 # jumping subtree containing (T0187)V108 jump= 0.889629 0.37483 0.2598 -0.0238246 -87.697 91.6092 -92.7238 # jumping subtree containing (T0187)P91 jump= -0.893376 -0.117042 0.350154 0.256073 -42.7367 -73.2128 105.807 # generation 178: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 530 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3524 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E218 jump= -0.458521 -0.725568 0.00162674 -0.513135 -85.8082 222.446 163.213 # jumping subtree containing (T0187)T160 jump= -0.679066 0.491611 -0.544632 0.0237706 -106.312 -96.3183 30.6621 # Removing break before 40 # jumping subtree containing (T0187)A180 jump= 0.816595 -0.169739 -0.359998 -0.418047 -122.045 -73.4885 151.027 # jumping subtree containing (T0187)R103 jump= -0.976198 -0.134506 0.123495 0.117023 0.248883 -39.2246 24.2316 # jumping subtree containing (T0187)L217 jump= -0.993041 0.11551 0.0201968 0.0108943 19.0605 -8.16966 24.8474 # jumping subtree containing (T0187)E211 jump= 0.9999 -0.00209201 0.0112294 -0.00834432 5.30036 24.5776 3.42582 # jumping subtree containing (T0187)L131 jump= 0.958656 -0.112099 0.0701008 0.251991 10.3357 43.6536 -4.72724 # jumping subtree containing (T0187)T236 jump= 0.55245 -0.395313 0.691398 0.245957 -190.083 -59.1433 -96.5693 # jumping subtree containing (T0187)S137 jump= -0.936296 0.141692 0.316356 -0.0564989 20.2515 30.8392 131.835 # jumping subtree containing (T0187)E218 jump= 0.177168 0.557945 0.345601 0.733395 -316.556 209.633 148.128 # jumping subtree containing (T0187)Y220 jump= 0.411395 0.0819605 -0.903446 0.0884402 -215.147 -10.7321 257.634 # jumping subtree containing (T0187)E218 jump= 0.410377 -0.62607 0.615703 -0.246042 -173.945 -127.594 151.856 # jumping subtree containing (T0187)K150 jump= -0.501805 0.529251 -0.640558 0.240357 -167.293 -129.496 60.3986 # jumping subtree containing (T0187)G171 jump= -0.158619 0.857646 -0.0192834 0.488785 -168.68 131.371 259.04 # Removing break before 80 # jumping subtree containing (T0187)L131 jump= 0.14096 -0.616264 -0.663054 -0.400886 -295.087 158.215 214.978 # generation 179: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 532 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3546 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E218 jump= 0.584228 -0.369163 0.374534 -0.618159 -273.274 -91.7936 128.139 # jumping subtree containing (T0187)E218 jump= 0.76994 -0.400939 -0.430813 -0.24666 -113.122 -28.5392 238.548 # jumping subtree containing (T0187)R103 jump= 0.583252 0.176209 0.218796 -0.762165 -289.276 -15.1943 -56.9257 # jumping subtree containing (T0187)T236 jump= 0.751369 0.541762 -0.374234 0.0434445 3.13813 44.7983 110.105 # jumping subtree containing (T0187)D115 jump= 0.923238 -0.328898 -0.0641808 0.187986 12.5952 42.9325 77.4104 # jumping subtree containing (T0187)G171 jump= 0.426188 0.795765 -0.212111 -0.37434 -17.2526 55.6474 -35.5466 # jumping subtree containing (T0187)D115 jump= -0.951707 0.176248 0.216628 -0.127524 28.42 37.1469 101.245 # jumping subtree containing (T0187)G171 jump= -0.222013 0.92357 0.0191498 -0.312028 47.3896 172.177 80.8209 # jumping subtree containing (T0187)A231 jump= -0.24547 -0.579947 0.499042 0.595285 -130.279 -73.7763 -54.1816 # Removing break before 80 # jumping subtree containing (T0187)K150 jump= -0.369196 0.0543344 -0.68402 -0.626785 -249.915 99.2669 -90.9636 # jumping subtree containing (T0187)I232 jump= -0.771293 -0.206397 -0.0821399 0.596457 -215.042 -73.7106 -71.1427 # jumping subtree containing (T0187)T236 jump= -0.999709 -0.00598086 -0.00721481 0.0222359 -3.15416 -29.7981 15.4046 # jumping subtree containing (T0187)V228 jump= -0.998489 0.0377053 0.0145438 0.0372242 4.99123 4.82122 27.2467 # jumping subtree containing (T0187)D115 jump= 0.687964 -0.400419 0.581551 -0.167835 -148.817 -95.5222 24.3188 # generation 180: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 536 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3566 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K150 jump= -0.623524 0.592389 -0.493506 0.129404 -82.4643 -66.9547 64.0303 # jumping subtree containing (T0187)G135 jump= 0.0477629 -0.464545 -0.56337 0.681565 -215.737 237.307 76.9505 # jumping subtree containing (T0187)G171 jump= -0.228613 0.0177628 0.626327 0.745074 -295.431 -40.8529 15.178 # jumping subtree containing (T0187)T236 jump= 0.687531 -0.705342 -0.0508593 0.164946 21.3463 80.3105 91.9389 # jumping subtree containing (T0187)T236 jump= -0.922261 0.0446098 0.135692 0.359211 -63.1023 -88.4786 55.4812 # jumping subtree containing (T0187)G171 jump= -0.671037 0.140778 -0.403669 0.605758 -284.106 -82.3287 26.0045 # jumping subtree containing (T0187)E211 jump= -0.799145 -0.277537 0.53146 0.0434797 -32.8211 -36.8028 143.546 # jumping subtree containing (T0187)I141 jump= -0.964796 -0.176605 -0.150637 0.123644 -34.9893 -10.4638 -42.5572 # jumping subtree containing (T0187)E218 jump= -0.640115 0.6493 0.39907 -0.0969802 -37.2676 89.8956 200.643 # jumping subtree containing (T0187)Q110 jump= 0.424765 -0.15472 0.376233 0.808756 -217.671 158.509 -104.775 # jumping subtree containing (T0187)G171 jump= -0.494199 0.680818 0.516437 0.159836 -125.17 92.4024 276.948 # jumping subtree containing (T0187)T236 jump= -0.113116 0.369267 -0.129995 0.913208 -335.445 93.4046 148.213 # generation 181: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 538 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3588 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D115 jump= -0.991519 0.0543038 -0.117853 -0.00719233 -11.8004 -5.32991 -11.7642 # jumping subtree containing (T0187)L131 jump= -0.0584374 0.331789 0.903734 0.264132 -300.602 77.5707 159.722 # jumping subtree containing (T0187)E218 jump= -0.97395 0.127013 0.0245231 -0.186245 36.0548 71.0796 27.7078 # jumping subtree containing (T0187)E218 jump= 0.230193 0.795127 0.49062 0.272171 -192.394 251.3 126.046 # jumping subtree containing (T0187)T160 jump= -0.633892 -0.232503 -0.728219 0.117563 -249.518 61.1537 -110.773 # jumping subtree containing (T0187)I232 jump= -0.696602 0.131217 -0.703078 0.0566513 -235.896 -21.9362 -88.6154 # jumping subtree containing (T0187)G171 jump= 0.959056 0.0460972 0.223444 -0.167809 -84.6234 -32.1227 -46.4699 # jumping subtree containing (T0187)T236 jump= -0.963134 0.062132 0.248827 -0.0812296 19.7473 42.4291 121.968 # jumping subtree containing (T0187)S127 jump= -0.935731 0.295732 0.167531 0.0942546 -7.16155 -43.9034 115.977 # jumping subtree containing (T0187)P237 jump= 0.929084 0.042076 -0.303312 0.207446 6.56214 81.2335 139.248 # jumping subtree containing (T0187)T236 jump= -0.998772 0.0147807 -0.0263665 -0.0392526 3.03735 -0.552478 -34.0103 # jumping subtree containing (T0187)A180 jump= -0.417083 -0.39545 0.617805 -0.536636 -111.819 164.717 232.886 # jumping subtree containing (T0187)A180 jump= -0.0731784 -0.644662 -0.122247 -0.751073 -258.363 193.953 165.459 # jumping subtree containing (T0187)T236 jump= -0.571167 0.286393 0.690287 -0.339487 -150.381 166.052 243.619 # jumping subtree containing (T0187)E218 jump= -0.7116 -0.246909 0.258689 -0.604766 -69.3526 244.028 142.026 # jumping subtree containing (T0187)G171 jump= 0.997492 -0.0340217 0.0143687 0.0603761 30.5719 25.4803 7.77412 # generation 182: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 545 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3605 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= 0.328651 0.0273048 -0.922759 -0.199397 -245.438 -44.7709 200.744 # jumping subtree containing (T0187)G171 jump= -0.409941 -0.768371 -0.243815 -0.426743 -127.167 285.773 112.92 # jumping subtree containing (T0187)L131 jump= 0.997802 0.0550174 -0.000904633 0.0369154 4.97598 45.8313 -19.7913 # jumping subtree containing (T0187)G171 jump= -0.806413 -0.0932093 -0.0304008 0.583169 -201.448 -87.1885 -39.4338 # jumping subtree containing (T0187)E218 jump= -0.957681 -0.218694 -0.186621 0.0138873 -52.0637 38.8111 -86.2322 # jumping subtree containing (T0187)G171 jump= -0.81131 0.103301 -0.0307807 0.574593 -197.531 -73.2515 26.8689 # jumping subtree containing (T0187)D109 jump= 0.987254 -0.122826 -0.0650188 -0.0775613 -2.27227 -27.3446 24.5993 # jumping subtree containing (T0187)G171 jump= 0.854208 -0.320809 -0.279806 0.298528 32.5714 131.933 150.006 # jumping subtree containing (T0187)G135 jump= 0.401971 0.0934365 0.847521 0.333762 -287.938 55.0364 -21.433 # jumping subtree containing (T0187)E218 jump= -0.993985 0.0841493 -0.00946722 0.0694493 -30.7746 -35.4676 16.9618 # jumping subtree containing (T0187)D115 jump= -0.470915 -0.444993 0.703841 0.291253 -82.0905 -87.1003 116.973 # jumping subtree containing (T0187)E218 jump= -0.972089 -0.225971 0.0455096 0.0436944 7.12717 38.5804 3.50996 # jumping subtree containing (T0187)A180 jump= 0.574744 0.0651117 0.38065 0.721481 -162.024 185.036 -111.131 # generation 183: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 554 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3620 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E218 jump= -0.0499364 -0.822677 -0.225209 -0.519606 -205.906 192.526 231.009 # jumping subtree containing (T0187)V108 jump= -0.941224 0.181058 0.283971 0.026013 -12.9373 -22.9395 118.873 # jumping subtree containing (T0187)E218 jump= 0.889515 0.125361 -0.373208 0.231869 36.1177 108.173 139.053 # jumping subtree containing (T0187)R103 jump= 0.235682 0.169385 -0.863622 -0.412213 -236.526 -115.749 101.754 # jumping subtree containing (T0187)Q110 jump= -0.116895 -0.110912 -0.972966 0.165441 -349.739 54.1987 140.53 # jumping subtree containing (T0187)T236 jump= -0.839337 0.28491 -0.462621 -0.0179432 -93.8871 -48.1986 -87.5498 # jumping subtree containing (T0187)G171 jump= -0.132524 -0.668627 0.20475 -0.702462 -178.766 174.986 239.763 # jumping subtree containing (T0187)G171 jump= 0.998104 -0.0599507 0.00731332 0.0118276 -13.5213 1.22943 -12.9831 # jumping subtree containing (T0187)G171 jump= -0.101926 -0.39702 -0.550043 0.727625 -270.011 236.338 -5.26048 # jumping subtree containing (T0187)G171 jump= 0.643199 -0.24531 -0.48511 0.539246 -64.1757 210.165 197.994 # jumping subtree containing (T0187)G171 jump= -0.853447 0.166708 -0.251819 -0.424763 -27.6588 113.777 -53.898 # generation 184: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 556 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3642 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.986745 0.0488803 -0.138099 0.0698156 -49.0299 -46.2635 -40.2963 # jumping subtree containing (T0187)T236 jump= -0.56283 -0.711959 0.413972 0.0704648 26.7356 14.6214 86.6939 # jumping subtree containing (T0187)I141 jump= 0.850781 -0.300847 0.152732 0.402909 12.605 83.2321 -43.5944 # jumping subtree containing (T0187)P91 jump= -0.376654 0.204039 0.252459 -0.86762 -165.058 317.798 44.9279 # jumping subtree containing (T0187)T236 jump= 0.273714 0.532168 -0.796133 -0.0897293 -144.255 -115.251 141.479 # jumping subtree containing (T0187)D115 jump= -0.121139 -0.809244 -0.153857 -0.553875 -183.032 201.099 232.778 # jumping subtree containing (T0187)E218 jump= -0.979424 -0.159495 -0.101916 -0.0700172 -37.1998 69.7211 -54.3171 # jumping subtree containing (T0187)V108 jump= -0.999998 -0.00105951 0.00132166 0.00120755 -4.55622 14.1939 5.40326 # jumping subtree containing (T0187)T236 jump= -0.0698094 0.162075 -0.903953 0.389523 -326.197 19.9187 142.581 # jumping subtree containing (T0187)G171 jump= 0.664356 0.273492 0.0135791 0.695449 -94.8864 258.942 55.0505 # jumping subtree containing (T0187)E218 jump= -0.945888 0.268135 0.116829 0.14054 -35.7079 -38.8077 112.016 # jumping subtree containing (T0187)A180 jump= -0.224652 -0.971426 0.0761749 -0.00781098 19.3123 188.294 80.3666 # jumping subtree containing (T0187)L131 jump= -0.442877 -0.369237 0.00583666 -0.817001 -212.86 271.083 98.1216 # jumping subtree containing (T0187)P91 jump= -0.302442 -0.229862 0.269529 0.884899 -260.49 13.7303 -70.4798 # jumping subtree containing (T0187)P91 jump= -0.554037 -0.0603634 0.801517 -0.216724 -114.699 58.8509 274.038 # generation 185: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 560 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3662 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= -0.920507 -0.0566463 0.131693 0.363476 -72.4961 -105.643 1.00109 # jumping subtree containing (T0187)W204 jump= 0.979225 -0.0394567 -0.192649 0.0494672 5.19701 29.3111 52.5045 # jumping subtree containing (T0187)V108 jump= 0.938872 -0.341983 -0.0290371 -0.0268997 -21.9047 -45.1969 82.7885 # jumping subtree containing (T0187)G171 jump= 0.252089 -0.478051 0.837898 -0.0764566 -207.638 -103.682 127.136 # jumping subtree containing (T0187)T236 jump= -0.720021 0.185867 -0.660506 0.103709 -198.581 -97.138 -75.8218 # jumping subtree containing (T0187)T116 jump= 0.689601 -0.172915 -0.608296 0.352882 -49.1303 132.254 194.48 # jumping subtree containing (T0187)I155 jump= -0.962768 0.212679 0.145592 0.0815359 -10.1432 -17.8711 97.7442 # jumping subtree containing (T0187)T160 jump= -0.995202 -0.0897976 0.00155617 -0.0388107 13.1829 33.9827 11.5458 # jumping subtree containing (T0187)G171 jump= 0.792493 0.036444 -0.0584751 -0.605976 -193.484 -105.406 -25.4085 # jumping subtree containing (T0187)G171 jump= 0.785887 0.136585 -0.581252 -0.160849 -38.1505 -63.246 178.19 # jumping subtree containing (T0187)E211 jump= 0.919973 -0.116843 0.251589 -0.276949 -97.1536 -92.9881 -31.3267 # generation 186: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 562 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3684 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= 0.731885 0.336204 0.00897541 0.592648 -74.5937 257.48 19.4772 # jumping subtree containing (T0187)T236 jump= -0.927862 -0.292965 0.216775 0.0790683 22.7736 -11.1306 38.6927 # jumping subtree containing (T0187)T236 jump= 0.407165 0.455043 0.574556 0.545012 -271.634 229.614 -14.616 # jumping subtree containing (T0187)W204 jump= -0.765863 0.232968 0.146456 0.581146 -200.331 -129.688 95.0266 # jumping subtree containing (T0187)T236 jump= -0.231171 0.0776176 -0.253011 -0.936227 -292.255 176.648 -96.0262 # jumping subtree containing (T0187)G171 jump= 0.455695 -0.528746 -0.267865 -0.664092 -271.952 14.3848 225.549 # jumping subtree containing (T0187)G171 jump= 0.984961 0.0225514 -0.165496 0.0442113 34.1209 6.64973 71.7512 # jumping subtree containing (T0187)T236 jump= -0.544793 -0.412526 0.669149 -0.291997 -86.3641 33.8934 213.11 # jumping subtree containing (T0187)L131 jump= 0.546674 0.749417 -0.140771 0.345984 -6.51947 213.059 159.676 # jumping subtree containing (T0187)I141 jump= -0.837577 0.372935 -0.0298174 -0.398115 30.6459 75.5729 8.61695 # jumping subtree containing (T0187)G171 jump= -0.980581 -0.131944 0.117383 0.0852848 10.5175 -28.5232 1.36494 # jumping subtree containing (T0187)T236 jump= -0.578833 0.0261148 -0.394263 -0.713321 -170.268 172.605 -120.201 # jumping subtree containing (T0187)G171 jump= -0.998632 0.0279964 -0.00706003 0.043597 10.7144 -31.4748 18.7745 # jumping subtree containing (T0187)T236 jump= -0.736433 -0.469149 -0.351825 -0.337321 -118.482 230.153 -57.7927 # jumping subtree containing (T0187)T236 jump= -0.934854 -0.241685 -0.26007 0.00105607 -79.5648 36.6078 -102.039 # jumping subtree containing (T0187)K150 jump= -0.610578 -0.28816 -0.685151 -0.273362 -219.558 158.17 -85.5027 # jumping subtree containing (T0187)D115 jump= 0.906926 -0.0462824 -0.417596 0.0309262 -18.21 4.13951 153.889 # generation 187: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 570 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3700 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= 0.139358 -0.108767 0.958782 -0.222455 -339.214 -4.50835 165.988 # Removing break before 80 # jumping subtree containing (T0187)L131 jump= -0.997189 -0.0334174 -0.0616669 0.0263601 -4.47561 3.54719 -34.9974 # jumping subtree containing (T0187)D115 jump= -0.989998 -0.0614427 -0.126848 0.00617886 -0.366869 22.9462 -53.3318 # jumping subtree containing (T0187)F119 jump= 0.954626 -0.00820721 0.276837 -0.109471 -99.8966 -25.1644 -83.4495 # jumping subtree containing (T0187)T236 jump= 0.578644 -0.582526 0.055034 0.568159 -5.05825 170.748 -51.5266 # jumping subtree containing (T0187)E218 jump= 0.586064 -0.380151 -0.152466 0.69912 -73.2093 224.33 18.1356 # jumping subtree containing (T0187)A180 jump= 0.432552 -0.216223 -0.772237 -0.412063 -250.033 -22.446 161.767 # jumping subtree containing (T0187)K150 jump= -0.406066 0.38728 -0.197066 -0.803921 -121.087 168.29 -123.152 # jumping subtree containing (T0187)G135 jump= 0.987405 -0.145622 0.0479874 -0.039011 -2.63789 -35.6565 1.46868 # jumping subtree containing (T0187)W204 jump= 0.53814 -0.277094 0.0637743 0.793447 -111.897 216.426 -47.6849 # jumping subtree containing (T0187)V136 jump= -0.836892 -0.305229 0.0237473 -0.453744 -41.8433 180.367 30.3808 # jumping subtree containing (T0187)T236 jump= 0.97453 -0.0823355 0.189068 0.0881265 4.80417 14.5532 -68.3359 # jumping subtree containing (T0187)E218 jump= -0.991435 0.0993123 0.0846151 -0.00587146 4.14825 11.247 54.3735 # Removing break before 80 # jumping subtree containing (T0187)A180 jump= 0.975143 0.0669015 0.20093 0.0651731 -50.8562 17.0007 -58.9647 # jumping subtree containing (T0187)I141 jump= 0.545322 0.104027 0.204846 0.806127 -170.591 223.784 -35.713 # jumping subtree containing (T0187)L217 jump= 0.921615 -0.296713 -0.0149633 -0.249728 -59.6302 -109.934 73.9254 # jumping subtree containing (T0187)K150 jump= -0.0551923 -0.256337 0.73048 -0.63059 -259.393 69.3108 161.436 # generation 188: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 572 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3722 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= 0.281181 0.803033 -0.326988 0.411284 -32.1208 142.39 236.844 # jumping subtree containing (T0187)G171 jump= 0.277918 -0.85607 0.432555 -0.0529285 -35.4394 -38.4394 173.976 # jumping subtree containing (T0187)E218 jump= -0.44156 0.427112 -0.563345 0.552487 -292.918 -51.4263 132.341 # jumping subtree containing (T0187)T236 jump= 0.884516 -0.231162 0.399308 0.0689152 -78.9084 -50.6243 -71.8688 # jumping subtree containing (T0187)T160 jump= 0.873341 0.188021 -0.342087 0.291375 25.3018 92.5877 133.456 # jumping subtree containing (T0187)D109 jump= -0.914449 0.184535 -0.137348 -0.332965 -0.877768 55.009 -36.5146 # jumping subtree containing (T0187)T160 jump= 0.966037 -0.0654754 0.24549 0.0471185 -50.6885 -19.0957 -79.9206 # jumping subtree containing (T0187)D115 jump= -0.467103 0.399933 -0.531082 -0.582942 -106.799 15.4227 -119.947 # jumping subtree containing (T0187)D115 jump= 0.921248 -0.100904 -0.114722 -0.357715 -73.4965 -107.493 54.9291 # jumping subtree containing (T0187)E218 jump= -0.777891 -0.293066 0.333909 0.444413 -77.427 -84.9208 3.08233 # jumping subtree containing (T0187)T116 jump= -0.763121 -0.527019 0.306244 0.214738 -11.0735 -10.8785 24.7888 # jumping subtree containing (T0187)E140 jump= -0.0115902 0.320724 0.345772 -0.881728 -256.657 185.946 -7.43351 # generation 189: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 575 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3743 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= -0.553948 -0.247483 0.349078 0.714169 -181.899 -60.3833 -33.0062 # jumping subtree containing (T0187)G171 jump= -0.739077 0.407475 -0.322034 0.428981 -198.01 -99.5682 72.7044 # jumping subtree containing (T0187)D115 jump= 0.650218 0.00518726 0.100776 -0.753016 -262.617 -60.5294 15.236 # Removing break before 40 # jumping subtree containing (T0187)W204 jump= 0.736428 0.144478 0.659741 0.0392726 -234.692 57.5069 -148.908 # jumping subtree containing (T0187)T236 jump= 0.459755 -0.275037 -0.799188 0.272541 -193.123 170.12 226.686 # jumping subtree containing (T0187)G171 jump= -0.457237 -0.71221 -0.513199 0.142543 -197.122 242.014 -8.34071 # jumping subtree containing (T0187)D115 jump= -0.0400289 0.123335 -0.765237 0.630554 -295.336 109.756 154.348 # jumping subtree containing (T0187)E211 jump= 0.541366 0.464658 0.209495 -0.668677 -192.296 48.6409 -104.286 # jumping subtree containing (T0187)G171 jump= -0.726743 -0.0271387 0.654552 0.206566 -86.1862 -38.38 177.137 # jumping subtree containing (T0187)K150 jump= 0.198159 0.498483 0.675762 0.505562 -297.807 170.331 24.8069 # jumping subtree containing (T0187)E218 jump= -0.893864 -0.422468 -0.0449339 0.143208 -47.0851 60.9482 -57.2739 # jumping subtree containing (T0187)L217 jump= 0.32052 0.261694 0.183604 -0.891668 -281.688 79.6432 -93.1824 # jumping subtree containing (T0187)T116 jump= 0.0122179 -0.368901 0.316442 -0.873858 -306.331 117.554 165.401 # jumping subtree containing (T0187)E140 jump= -0.848231 0.251837 -0.109786 0.452801 -130.468 -103.144 72.6568 # jumping subtree containing (T0187)G135 jump= -0.972768 0.00932003 0.174305 0.152488 -27.142 -37.651 37.8836 # generation 190: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 576 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3766 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K150 jump= 0.446318 -0.117568 -0.887076 -0.00857828 -202.624 24.9001 223.731 # jumping subtree containing (T0187)G171 jump= 0.454487 -0.515703 -0.322872 -0.650573 -287.288 -9.71142 217.673 # jumping subtree containing (T0187)E218 jump= -0.64271 0.294179 -0.706224 -0.0403791 -183.088 -86.0107 -60.6205 # jumping subtree containing (T0187)K150 jump= 0.984054 -0.0425807 0.0166794 -0.171891 -32.5817 -50.4555 -21.1539 # jumping subtree containing (T0187)A180 jump= -0.759657 -0.355864 -0.483802 0.249433 -199.787 108.148 -95.4436 # jumping subtree containing (T0187)T236 jump= 0.335688 -0.77227 0.140243 -0.520812 -142.062 -14.1672 246.32 # jumping subtree containing (T0187)G171 jump= -0.910123 0.0651088 0.0810879 0.401076 -84.9989 -83.5609 36.7094 # jumping subtree containing (T0187)G171 jump= 0.999992 -0.00140708 -0.00330354 -0.00147261 -18.2684 -12.4391 -4.85968 # jumping subtree containing (T0187)K150 jump= 0.80334 -0.0600205 -0.587542 -0.0763986 -87.277 -19.9935 184 # jumping subtree containing (T0187)E140 jump= -0.376193 -0.0548662 -0.068657 -0.922364 -209.216 209.128 12.1857 # jumping subtree containing (T0187)K150 jump= 0.880135 -0.135188 0.412024 -0.19319 -107.542 -59.2075 -63.465 # jumping subtree containing (T0187)R103 jump= 0.395236 -0.882144 -0.203288 0.155835 -22.2751 159.507 192.652 # jumping subtree containing (T0187)L131 jump= -0.999564 0.0035915 -0.0234976 -0.0175091 21.13 13.7167 6.39644 # generation 191: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 581 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3785 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= -0.511788 -0.361396 -0.109655 0.771649 -243.63 38.865 -89.8904 # jumping subtree containing (T0187)T236 jump= -0.632932 0.720061 0.0237577 -0.283452 19.7252 115.948 72.3793 # jumping subtree containing (T0187)E218 jump= 0.928327 0.243205 -0.132021 0.248256 17.8411 116.457 51.3066 # jumping subtree containing (T0187)G171 jump= 0.52581 0.798743 0.0922937 -0.277518 -60.4123 171.727 -52.7758 # jumping subtree containing (T0187)Y220 jump= 0.315506 -0.780949 0.483017 0.239311 -41.8223 -91.4631 29.8465 # jumping subtree containing (T0187)K150 jump= -0.988397 -0.0528531 -0.0389783 -0.136959 -8.3305 38.8311 -34.4758 # jumping subtree containing (T0187)T160 jump= 0.363 -0.699686 -0.379295 -0.484568 -202.197 75.3725 255.108 # jumping subtree containing (T0187)D115 jump= -0.36256 -0.525703 -0.764423 0.0885679 -279.507 168.52 -1.5672 # jumping subtree containing (T0187)L107 jump= -0.654655 -0.215561 0.17964 -0.701919 -104.578 254.677 103.062 # jumping subtree containing (T0187)T236 jump= 0.561777 -0.799571 0.0612114 0.203338 31.7449 65.8132 40.8099 # jumping subtree containing (T0187)I232 jump= -0.312146 -0.913681 0.190931 -0.176907 -13.3518 143.417 140.113 # jumping subtree containing (T0187)D109 jump= -0.588301 0.358815 0.324371 -0.648025 -58.4432 226.566 105.694 # jumping subtree containing (T0187)V108 jump= -0.971953 -0.138252 -0.141294 0.127395 -62.0668 1.36991 -79.879 # jumping subtree containing (T0187)E218 jump= 0.163535 -0.542282 -0.275461 -0.776729 -308.707 92.4217 213.152 # jumping subtree containing (T0187)G171 jump= 0.228889 0.656712 0.483647 0.531437 -289.522 239.696 88.8616 # generation 192: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 584 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3806 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G171 jump= 0.914381 0.193974 0.0450859 -0.352489 -79.3095 -60.7406 -39.1725 # jumping subtree containing (T0187)K150 jump= -0.876507 -0.0817215 -0.347155 0.323327 -145.755 -58.5792 -63.2555 # jumping subtree containing (T0187)K150 jump= -0.774564 0.290958 -0.236522 0.509364 -170.676 -92.4576 52.4139 # jumping subtree containing (T0187)A180 jump= 0.999202 0.0368558 0.00607607 0.0141788 -5.59381 -12.2829 4.68057 # jumping subtree containing (T0187)T236 jump= 0.256419 -0.831709 0.477171 0.121729 -27.1754 -52.9793 69.8612 # jumping subtree containing (T0187)R103 jump= 0.994397 -0.104853 0.00856786 0.0103064 -8.44117 -13.4532 -10.611 # Removing break before 80 # jumping subtree containing (T0187)I141 jump= -0.882544 -0.216637 0.377229 0.178556 -23.317 -55.5205 98.1136 # generation 193: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 590 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3824 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D109 jump= 0.75709 -0.416646 -0.321486 0.387127 22.0536 151.114 124.971 # jumping subtree containing (T0187)L131 jump= -0.108917 -0.966328 0.121502 0.19896 43.2842 119.346 68.6254 # Removing break before 40 # jumping subtree containing (T0187)G171 jump= -0.412077 -0.248695 -0.329626 -0.812213 -237.336 233.652 3.21875 # jumping subtree containing (T0187)I141 jump= -0.962518 0.241732 0.0276078 0.119841 -14.3324 -44.7365 48.5512 # jumping subtree containing (T0187)Q110 jump= -0.518927 0.284873 -0.758219 -0.27325 -226.793 -37.4094 -64.8118 # jumping subtree containing (T0187)Y220 jump= -0.914322 -0.238203 -0.296818 -0.138471 -88.3497 119.794 -81.6081 # jumping subtree containing (T0187)G135 jump= -0.739626 -0.503869 0.27704 -0.349741 11.051 163.785 144.351 # jumping subtree containing (T0187)V228 jump= -0.416849 0.15463 0.122062 0.887371 -359.466 -46.7256 65.0674 # jumping subtree containing (T0187)E218 jump= 0.241438 0.294308 -0.266287 -0.88554 -250.589 11.5986 -82.947 # jumping subtree containing (T0187)I141 jump= 0.0632971 -0.135822 0.27679 -0.949175 -325.924 113.179 78.3338 # jumping subtree containing (T0187)T236 jump= -0.888224 -0.141848 -0.403901 0.166735 -126.848 23.4468 -133.13 # Removing break before 40 # generation 194: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 593 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3845 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q110 jump= -0.850661 0.0710931 -0.141549 -0.501284 -54.0801 141.868 -36.7841 # jumping subtree containing (T0187)G171 jump= 0.0692213 0.148512 0.858408 0.486095 -362.877 13.9265 43.4858 # jumping subtree containing (T0187)L131 jump= -0.0738237 -0.444829 -0.583173 0.675712 -266.743 222.209 52.9178 # jumping subtree containing (T0187)G171 jump= 0.435119 0.648075 0.599646 0.176338 -242.056 259.048 -0.143618 # jumping subtree containing (T0187)S227 jump= -0.826 -0.440337 0.202881 0.287519 -2.78016 -38.3016 7.48588 # Removing break before 80 # jumping subtree containing (T0187)T236 jump= -0.997557 -0.0436781 0.0434634 0.0329253 -7.90924 -14.659 -13.5855 # jumping subtree containing (T0187)E218 jump= 0.900458 -0.0958729 0.18893 -0.379854 -161.341 -101.112 -14.8619 # generation 195: best score out of 40: T0187.try1-al4-scwrl 67.9648 cost/residue, 203 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 599 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3863 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T116 jump= -0.828715 -0.25166 -0.0906108 0.491618 -116.834 -43.8279 -91.6204 # jumping subtree containing (T0187)S127 jump= -0.988179 -0.0753735 -0.0144241 0.132712 -34.3305 3.98394 -18.2485 # jumping subtree containing (T0187)L131 jump= -0.371566 -0.284583 -0.652218 0.596291 -291.344 133.476 -17.4257 # jumping subtree containing (T0187)E218 jump= 0.45979 -0.572365 0.552505 0.394626 -92.1584 -27.8746 -71.3388 # jumping subtree containing (T0187)G171 jump= -0.329629 0.0780069 -0.92011 -0.196617 -294.818 -41.2264 -8.5918 # jumping subtree containing (T0187)P91 jump= -0.204193 -0.746121 0.14224 0.617556 -67.0408 103.077 -106.267 # jumping subtree containing (T0187)E218 jump= 0.209344 0.466969 0.595916 -0.618869 -254.442 191.956 -12.2017 # jumping subtree containing (T0187)D109 jump= -0.243651 -0.7403 -0.17929 -0.600371 -176.603 236.033 178.724 # jumping subtree containing (T0187)T236 jump= 0.972149 -0.05738 0.18593 0.13063 -8.28765 39.9321 -68.5349 # Removing break before 40 # jumping subtree containing (T0187)G171 jump= 0.617827 0.755275 -0.189565 0.109158 44.5949 157.482 65.9531 # jumping subtree containing (T0187)E218 jump= 0.725594 -0.490107 -0.274682 -0.397313 -132.216 -55.4637 200.134 # jumping subtree containing (T0187)W204 jump= -0.00876179 -0.663721 0.497576 0.558405 -99.5235 -34.6044 -92.8656 # jumping subtree containing (T0187)T236 jump= -0.747369 -0.517982 -0.321641 0.263973 -124.662 86.8956 -124.118 # jumping subtree containing (T0187)G171 jump= 0.236718 -0.428428 0.870663 -0.0485801 -216.991 -121.343 101.282 # generation 196: best score out of 40: T0187.try1-al4-scwrl 67.9477 cost/residue, 205 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 56 ## TwoFragment 12 ## CrossOver 602 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 275 ## OptSubtree 3883 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I141 jump= 0.948104 -0.18879 0.0705748 0.24592 22.758 69.1831 -18.0525 # jumping subtree containing (T0187)Q110 jump= -0.94335 -0.00518274 -0.29362 0.154437 -113.261 -37.2168 -53.7337 # jumping subtree containing (T0187)T236 jump= 0.485579 -0.822701 0.294557 -0.0247404 -1.29851 -52.7054 81.1912 # jumping subtree containing (T0187)P91 jump= 0.899774 0.286805 -0.301388 -0.13159 15.1262 1.58249 28.9502 # jumping subtree containing (T0187)T160 jump= 0.976937 -0.0599516 0.0270732 -0.203145 -27.0176 -85.1479 4.15535 # jumping subtree containing (T0187)E211 jump= 0.279914 -0.289724 -0.864941 -0.299307 -316.948 42.9576 189.671 # jumping subtree containing (T0187)A180 jump= -0.996449 -0.00395865 0.0811918 0.0219454 17.8203 -1.15806 10.8535 # jumping subtree containing (T0187)T236 jump= 0.702742 -0.653595 0.118681 -0.254722 -88.4036 -72.2153 130.126 # jumping subtree containing (T0187)I141 jump= 0.924489 -0.12955 -0.326647 -0.147777 -26.7845 -34.8381 147.668 # jumping subtree containing (T0187)D115 jump= -0.955667 -0.0458156 0.21619 0.194587 -20.8888 -42.66 78.4471 # jumping subtree containing (T0187)A180 jump= -0.0336538 0.738679 0.168805 -0.65171 -69.4143 238.489 -17.1253 # jumping subtree containing (T0187)E211 jump= 0.771042 0.376165 0.510937 0.0542016 -164.46 127.758 -86.699 # jumping subtree containing (T0187)T236 jump= -0.999838 0.00163857 -0.00950816 -0.0151739 -20.3635 9.64525 0.795406 # jumping subtree containing (T0187)I141 jump= 0.703655 0.136184 0.695187 0.0551172 -235.712 33.9387 -104.963 # jumping subtree containing (T0187)G135 jump= -0.0867799 -0.38015 -0.834147 -0.39007 -339.692 87.5016 99.3472 # generation 197: best score out of 40: T0187.try1-al4-scwrl 67.9477 cost/residue, 205 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 56 ## TwoFragment 12 ## CrossOver 604 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 276 ## OptSubtree 3904 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= 0.998001 0.0269993 0.0569841 -0.00413522 -24.384 14.0761 -41.0727 # jumping subtree containing (T0187)I158 jump= -0.414701 -0.577593 -0.686618 0.151541 -237.926 177.524 -57.3707 # jumping subtree containing (T0187)A180 jump= -0.685273 0.339491 0.618484 -0.180622 -73.4447 107.09 269.667 # jumping subtree containing (T0187)S127 jump= -0.799016 -0.38954 0.441269 0.122939 15.0265 -27.8317 75.2595 # jumping subtree containing (T0187)A180 jump= -0.437765 0.691005 -0.40953 0.403929 -159.505 -48.4132 213.918 # jumping subtree containing (T0187)T236 jump= 0.768835 -0.426506 0.476199 -0.0148349 -86.3622 -73.2361 -30.1327 # jumping subtree containing (T0187)T236 jump= 0.201986 -0.859212 -0.44014 -0.165027 -144.61 219.903 189.317 # jumping subtree containing (T0187)T236 jump= -0.949509 0.152648 0.178944 -0.20763 36.2487 85.0735 98.4657 # generation 198: best score out of 40: T0187.try1-al4-scwrl 67.9477 cost/residue, 205 clashes 0.0561768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 56 ## TwoFragment 12 ## CrossOver 610 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 276 ## OptSubtree 3930 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= 0.778013 -0.0998805 0.421677 -0.454872 -228.62 -74.9726 -57.5403 # jumping subtree containing (T0187)T236 jump= -0.85336 0.357072 -0.287497 0.248237 -127.811 -98.454 13.5987 # jumping subtree containing (T0187)E211 jump= -0.60626 -0.183554 0.643817 -0.429252 -100.22 138.321 249.057 # jumping subtree containing (T0187)G171 jump= 0.616317 -0.264054 0.0506655 0.740177 -70.0623 184.674 -43.5901 # jumping subtree containing (T0187)I232 jump= 0.749819 0.637759 0.0183776 -0.175208 6.11439 80.5316 -75.6589 # jumping subtree containing (T0187)D109 jump= -0.687935 -0.282677 -0.281538 -0.606279 -143.838 248.485 -49.9984 # jumping subtree containing (T0187)T236 jump= -0.387366 -0.644422 0.639753 0.159321 -50.4154 -78.0569 90.9627 # jumping subtree containing (T0187)D115 jump= -0.0314378 -0.181109 0.879591 0.438784 -253.806 -70.8755 38.0155 # jumping subtree containing (T0187)I232 jump= -0.260628 -0.957497 0.0726394 0.0999767 7.81756 105.899 34.7852 # jumping subtree containing (T0187)T236 jump= 0.659431 0.452705 0.528815 0.283838 -178.489 185.734 -101.42 # jumping subtree containing (T0187)T236 jump= 0.461132 -0.867532 0.178576 -0.0534412 -5.36895 11.0481 128.761 # jumping subtree containing (T0187)G171 jump= -0.953234 0.169248 0.110571 -0.224663 32.7261 89.2694 47.3585 # jumping subtree containing (T0187)T236 jump= 0.861346 -0.243286 -0.428851 0.122399 -4.98562 59.2787 174.401 # jumping subtree containing (T0187)D109 jump= -0.812882 -0.24901 -0.452364 -0.269414 -134.829 116.326 -112.128 # jumping subtree containing (T0187)T236 jump= 0.978938 -0.202905 -0.0225503 -0.00081098 -2.58412 -31.0772 17.8601 # jumping subtree containing (T0187)T236 jump= -0.626213 -0.149617 0.735807 0.209907 -158.652 -82.0228 166.519 # jumping subtree containing (T0187)Q110 jump= 0.901987 0.0393388 0.354913 0.242709 -92.0041 71.8946 -117.918 # generation 199: best score out of 40: T0187.try1-al4-scwrl 67.9477 cost/residue, 205 clashes 0.0561769 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 56 ## TwoFragment 12 ## CrossOver 615 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 276 ## OptSubtree 3949 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K150 jump= 0.977289 -0.189034 0.069891 -0.0654764 -4.94628 -36.2414 -11.1816 # jumping subtree containing (T0187)K150 jump= -0.65011 0.192244 0.568326 -0.466266 -100.446 168.9 157.421 # jumping subtree containing (T0187)E211 jump= -0.506807 0.598873 0.383419 0.487327 -201.111 18.6981 215.631 # jumping subtree containing (T0187)V228 jump= -0.0201809 0.510957 0.729773 -0.453814 -266.112 237.042 105.554 # jumping subtree containing (T0187)T236 jump= 0.166429 0.957229 -0.123379 -0.201972 29.3599 112.686 36.8889 # jumping subtree containing (T0187)I232 jump= -0.985547 -0.0841218 -0.0410254 0.141204 -40.3166 -54.8731 -18.8082 # jumping subtree containing (T0187)L131 jump= -0.304893 0.756952 -0.125417 0.564212 -213.695 42.1374 268.22 # jumping subtree containing (T0187)T236 jump= 0.46081 -0.381168 0.555032 0.578191 -144.584 53.6246 -132.007 # jumping subtree containing (T0187)T236 jump= 0.974668 -0.00434831 -0.0125657 0.22326 10.3446 80.5019 20.3004 # jumping subtree containing (T0187)L131 jump= 0.922978 -0.260372 0.27689 -0.0604114 -64.3425 -64.3724 -8.53365 # jumping subtree containing (T0187)T236 jump= -0.964619 0.0320622 -0.0283569 -0.260152 13.0713 71.2015 -20.4215 # jumping subtree containing (T0187)G171 jump= -0.966305 -0.251229 0.0189625 0.0527109 -9.34634 11.088 -20.5743 # jumping subtree containing (T0187)T236 jump= 0.91924 -0.0533815 0.372266 -0.116473 -79.9001 -53.9406 -97.3109 # generation 200: best score out of 40: T0187.try1-al4-scwrl 67.9477 cost/residue, 205 clashes 0.0561769 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 56 ## TwoFragment 12 ## CrossOver 619 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 276 ## OptSubtree 3969 ## 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_1054079007.pdb -s /projects/compbio/tmp/to_scwrl_1054079007.seq -o /projects/compbio/tmp/from_scwrl_1054079007.pdb -a /projects/compbio/tmp/from_scwrl_1054079007_a.pdb -b /projects/compbio/tmp/from_scwrl_1054079007_b.pdb > /projects/compbio/tmp/scwrl_1054079007.log # conformation set from SCWRL output # command:# naming current conformation T0187.try1-opt-scwrl # command:# command:# CostConform T0187.try1-opt-scwrl costs 68.0552 T0187.try1-opt costs 67.9546 T0187.try1 costs 82.2789 T0187.try1-al10 costs 82.2789 T0187.try1-al10 costs 82.2789 T0187.try1-al8+1i5nA-T0187-local-adpstyle1.pw.a2m.gz:1i5nA costs 82.2789 T0187.try1-al8 costs 82.2898 T0187.try1-al6+1i5nA-T0187-local-adpstyle1.pw.a2m.gz:1i5nA costs 82.2898 T0187.try1-al6 costs 82.3547 T0187.try1-al4+1xxcA-T0187-vit-adpstyle1.pw.a2m.gz:1xxcA costs 82.3547 T0187.try1-al4 costs 83.7388 T0187.try1-al2+1i5nA-T0187-local-adpstyle1.pw.a2m.gz:1i5nA costs 83.7388 T0187.try1-al2 costs 85.4326 T0187.rand+T0187-1dciA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz:1dciA costs 91.497 T0187.rand costs 133.451 # command:CPU_time= 3.05686e+06 msec, elapsed time= 1.18734e+07 msec) # command: