# command:# Seed set to 1031587522 # 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= 10880 msec, elapsed time= 12040.9 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 117 residues and 824 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= 14320 msec, elapsed time= 15495.6 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= 19270 msec, elapsed time= 20450.2 msec) # command:# Prefix for output files set to decoys/ # command:# created conformation for T0187 from sequence in target chain replacing old conformation. # command:# naming current conformation T0187.rand # command:CPU_time= 19270 msec, elapsed time= 20452.9 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/t0187-301-417/1jeqB/T0187-1jeqB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1jeqB read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeqB/T0187-1jeqB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # adding 1jeqB to template set 1jeqB:# found chain 1jeqB in template set T0187 2 :KKPAALIFGGE 1jeqB 52 :DEIALVLFGTD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.02741 Ang K3.C and P4.CD neighbor-bump: 2.78499 Ang K3.C and P4.CG T0187 13 :TVVHVKGN 1jeqB 77 :ITVHRHLM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.8527 Ang H5.CD2 and V6.CG2 T0187 21 :GIGGRNQELALSAAIAL 1jeqB 101 :GSQQADFLDALIVSMDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 38 :EGIE 1jeqB 123 :IGKK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.53045 Ang I4.CG2 and E5.N T0187 42 :GVILCSAGTDGTDGPTDAA 1jeqB 128 :EKRHIEIFTDLSSRFSKSQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 2.39567 Ang G15.CA and P16.CD neighbor-bump: 1.74422 Ang G15.C and P16.CD other bump:2.51397 Ang D11.CG and T13.CG2 other bump:2.37756 Ang D11.OD2 and T13.CG2 T0187 66 :GSTAKTLKA 1jeqB 148 :DIIIHSLKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 75 :MGED 1jeqB 185 :LGGH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.99012 Ang G1.C and E4.CG T0187 79 :PYQYLKNNDSYNALKKSG 1jeqB 200 :QQKEGLEIVKMVMISLEG Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.69608 Ang Y12.CD1 and K16.NZ other bump:2.58559 Ang Y12.CD2 and K16.NZ other bump:1.63263 Ang Y12.CE1 and K16.NZ other bump:1.47057 Ang Y12.CE2 and K16.NZ other bump:0.343027 Ang Y12.CZ and K16.NZ other bump:1.08472 Ang Y12.OH and K16.NZ other bump:1.94187 Ang Y12.CE2 and K16.CE other bump:1.69609 Ang Y12.CZ and K16.CE other bump:1.155 Ang Y12.OH and K16.CE other bump:2.17127 Ang Y12.CE2 and K16.CD other bump:2.52399 Ang Y12.CZ and K16.CD other bump:2.53536 Ang Y12.OH and K16.CD other bump:2.89255 Ang Y12.CE2 and K16.CG T0187 97 :ALLIT 1jeqB 222 :DEIYS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.63448 Ang I5.CG2 and T6.O neighbor-bump: 2.63624 Ang I5.CG2 and T6.N T0187 102 :GPT 1jeqB 242 :RHS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 105 :GTNVNDLIIG 1jeqB 254 :GSNLSIRIAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 115 :LIV 1jeqB 267 :ILQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 12 total=12 Number of alignments=1 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeqB/T0187-1jeqB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1jeqB read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeqB/T0187-1jeqB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1jeqB in template set T0187 2 :KKPAALIFGGE 1jeqB 52 :DEIALVLFGTD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.02741 Ang K3.C and P4.CD neighbor-bump: 2.78499 Ang K3.C and P4.CG T0187 13 :TVVHVKGN 1jeqB 77 :ITVHRHLM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.8527 Ang H5.CD2 and V6.CG2 T0187 21 :GIGGRNQELALSAAIAL 1jeqB 101 :GSQQADFLDALIVSMDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 38 :EGIE 1jeqB 123 :IGKK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.53045 Ang I4.CG2 and E5.N T0187 42 :GVILCSAGTDGTDGPTDAA 1jeqB 128 :EKRHIEIFTDLSSRFSKSQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 2.39567 Ang G15.CA and P16.CD neighbor-bump: 1.74422 Ang G15.C and P16.CD other bump:2.51397 Ang D11.CG and T13.CG2 other bump:2.37756 Ang D11.OD2 and T13.CG2 T0187 66 :GSTAKTLKA 1jeqB 148 :DIIIHSLKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 75 :MGED 1jeqB 185 :LGGH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.99012 Ang G1.C and E4.CG T0187 79 :PYQYLKNNDSYNALKKSG 1jeqB 199 :EQQKEGLEIVKMVMISLE Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.29455 Ang N13.ND2 and K17.NZ other bump:3.1339 Ang N8.CG and Y12.CZ other bump:2.72573 Ang N8.OD1 and Y12.CZ other bump:2.84242 Ang N8.ND2 and Y12.CZ other bump:2.73956 Ang N8.CG and Y12.CE2 other bump:1.89943 Ang N8.OD1 and Y12.CE2 other bump:3.06296 Ang N8.ND2 and Y12.CE2 other bump:2.55238 Ang N8.OD1 and Y12.CD2 other bump:2.42948 Ang Y3.CE1 and K7.NZ other bump:2.77168 Ang Y3.CZ and K7.NZ other bump:2.40198 Ang Y3.OH and K7.NZ other bump:1.71009 Ang Y3.CE1 and K7.CE other bump:1.92507 Ang Y3.CZ and K7.CE other bump:1.79708 Ang Y3.OH and K7.CE other bump:2.50171 Ang G1.O and Y5.CD1 T0187 97 :ALLIT 1jeqB 222 :DEIYS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.63448 Ang I5.CG2 and T6.O neighbor-bump: 2.63624 Ang I5.CG2 and T6.N T0187 102 :GPT 1jeqB 242 :RHS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 105 :GTNVNDLIIG 1jeqB 254 :GSNLSIRIAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 115 :LIV 1jeqB 267 :ILQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 12 total=24 Number of alignments=2 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1lx7A/T0187-1lx7A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1lx7A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1lx7A/T0187-1lx7A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # adding 1lx7A to template set 1lx7A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1lx7A in template set T0187 3 :KPAALIFG 1lx7A 19 :ATLAIVPG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.07816 Ang K2.C and P3.CD T0187 12 :ETVVHV 1lx7A 42 :VKLASH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 18 :KGNGIGGRNQELALSAA 1lx7A 65 :CSTGIGGPSTSIAVEEL Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.68581 Ang N4.ND2 and A14.CB other bump:2.38673 Ang G8.O and E12.OE2 other bump:2.73983 Ang G8.C and E12.OE2 other bump:1.10646 Ang G8.O and E12.OE1 other bump:1.91688 Ang G8.C and E12.OE1 other bump:2.54858 Ang R9.CA and E12.OE1 other bump:1.88574 Ang G8.O and E12.CD other bump:2.64874 Ang G8.C and E12.CD other bump:2.11062 Ang N4.CG and Q11.NE2 other bump:2.26242 Ang N4.ND2 and Q11.NE2 other bump:1.72809 Ang N4.OD1 and Q11.NE2 other bump:2.14561 Ang N4.CB and Q11.OE1 other bump:1.74077 Ang N4.CG and Q11.OE1 other bump:1.67239 Ang N4.OD1 and Q11.OE1 other bump:2.99538 Ang N4.CB and Q11.CD other bump:1.98084 Ang N4.CG and Q11.CD other bump:2.37557 Ang N4.ND2 and Q11.CD other bump:1.88759 Ang N4.OD1 and Q11.CD self-bump: 2.08589 Ang N4.CB and N4.C T0187 36 :ALEGIE 1lx7A 82 :AQLGIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 43 :VILCSAGTDGT 1lx7A 88 :TFLRIGTTGAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 54 :DGPTDAA 1lx7A 117 :DGASLHF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.59439 Ang G3.N and P4.CD T0187 62 :GIVDGS 1lx7A 130 :AVADFE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 68 :TAKTLKAMGED 1lx7A 140 :LVEAAKSIGAT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.10389 Ang M9.CB and E11.OE2 other bump:2.57813 Ang M9.CE and E11.OE2 other bump:1.49502 Ang L6.O and E11.OE1 other bump:2.47728 Ang L6.C and E11.OE1 other bump:2.88189 Ang M9.CB and E11.CD T0187 79 :PYQYLKNN 1lx7A 184 :MEEWQAMG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:1.38435 Ang Y3.OH and K7.NZ other bump:2.62951 Ang Y3.CD1 and K7.NZ other bump:1.50402 Ang Y3.CE1 and K7.NZ other bump:2.07496 Ang Y3.CE2 and K7.NZ other bump:0.958112 Ang Y3.CZ and K7.NZ other bump:1.99372 Ang Y3.OH and K7.CE other bump:2.26849 Ang Y3.CE1 and K7.CE other bump:2.30251 Ang Y3.CZ and K7.CE T0187 87 :DSYNAL 1lx7A 198 :ESATLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 93 :KKSGALLITGP 1lx7A 205 :MCASQGLRAGM Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 1.91742 Ang G11.C and P12.CD other bump:2.5307 Ang K3.CG and T10.OG1 other bump:2.68108 Ang K3.CB and T10.OG1 other bump:3.11892 Ang K3.CD and T10.N other bump:2.78932 Ang K3.CD and I9.C other bump:2.73345 Ang K3.CE and I9.CA other bump:2.66812 Ang K3.NZ and I9.CA other bump:2.71343 Ang K3.CD and I9.CA other bump:1.78319 Ang K3.CE and I9.N other bump:1.2519 Ang K3.NZ and I9.N other bump:2.41323 Ang K3.CD and I9.N other bump:2.84932 Ang K3.CG and L8.C other bump:0.527585 Ang K3.CE and L8.C other bump:1.15482 Ang K3.NZ and L8.C other bump:1.83539 Ang K3.CD and L8.C other bump:0.917563 Ang K3.CE and L8.O other bump:1.43637 Ang K3.CD and L8.O other bump:2.79521 Ang K3.CG and L8.CB other bump:2.40656 Ang K3.CE and L8.CB other bump:2.02695 Ang K3.NZ and L8.CB other bump:3.12091 Ang K3.CD and L8.CB other bump:1.58901 Ang K3.CE and L8.CA other bump:1.38833 Ang K3.NZ and L8.CA other bump:2.9338 Ang K3.CD and L8.CA other bump:2.30015 Ang K3.CE and L8.N T0187 112 :IIGLI 1lx7A 216 :VAGVI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.51779 Ang I2.O and I3.CG2 neighbor-bump: 2.95669 Ang I2.C and I3.CG2 Number of specific fragments= 12 total=36 Number of alignments=3 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1lx7A/T0187-1lx7A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1lx7A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1lx7A/T0187-1lx7A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1lx7A in template set T0187 3 :KPAALIFGG 1lx7A 19 :ATLAIVPGD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.14501 Ang F8.CE1 and G10.C other bump:2.39973 Ang F8.CD1 and G10.O neighbor-bump: 2.07816 Ang K2.C and P3.CD T0187 12 :ETVVHV 1lx7A 42 :VKLASH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 18 :KGNGIGGRNQELALSAA 1lx7A 65 :CSTGIGGPSTSIAVEEL Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.68581 Ang N4.ND2 and A14.CB other bump:2.38673 Ang G8.O and E12.OE2 other bump:2.73983 Ang G8.C and E12.OE2 other bump:1.10646 Ang G8.O and E12.OE1 other bump:1.91688 Ang G8.C and E12.OE1 other bump:2.54858 Ang R9.CA and E12.OE1 other bump:1.88574 Ang G8.O and E12.CD other bump:2.64874 Ang G8.C and E12.CD other bump:2.11062 Ang N4.CG and Q11.NE2 other bump:2.26242 Ang N4.ND2 and Q11.NE2 other bump:1.72809 Ang N4.OD1 and Q11.NE2 other bump:2.14561 Ang N4.CB and Q11.OE1 other bump:1.74077 Ang N4.CG and Q11.OE1 other bump:1.67239 Ang N4.OD1 and Q11.OE1 other bump:2.99538 Ang N4.CB and Q11.CD other bump:1.98084 Ang N4.CG and Q11.CD other bump:2.37557 Ang N4.ND2 and Q11.CD other bump:1.88759 Ang N4.OD1 and Q11.CD self-bump: 2.08589 Ang N4.CB and N4.C T0187 36 :ALEGIE 1lx7A 82 :AQLGIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 43 :VILCSAGTDGT 1lx7A 88 :TFLRIGTTGAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 54 :DGPTDAAG 1lx7A 117 :DGASLHFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.59439 Ang G3.N and P4.CD T0187 62 :GIVDGSTAKTL 1lx7A 130 :AVADFECTTAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 73 :KAMGED 1lx7A 145 :KSIGAT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.10389 Ang M4.CB and E6.OE2 other bump:2.57813 Ang M4.CE and E6.OE2 other bump:1.49502 Ang G1.O and E6.OE1 other bump:2.47728 Ang G1.C and E6.OE1 other bump:2.88189 Ang M4.CB and E6.CD T0187 79 :PYQYLKNN 1lx7A 184 :MEEWQAMG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:1.38435 Ang Y3.OH and K7.NZ other bump:2.62951 Ang Y3.CD1 and K7.NZ other bump:1.50402 Ang Y3.CE1 and K7.NZ other bump:2.07496 Ang Y3.CE2 and K7.NZ other bump:0.958112 Ang Y3.CZ and K7.NZ other bump:1.99372 Ang Y3.OH and K7.CE other bump:2.26849 Ang Y3.CE1 and K7.CE other bump:2.30251 Ang Y3.CZ and K7.CE T0187 87 :DSYNALKKSGALLITG 1lx7A 199 :SATLLTMCASQGLRAG Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.68108 Ang K9.CB and T16.OG1 other bump:2.53071 Ang K9.CG and T16.OG1 other bump:2.04858 Ang N5.OD1 and T16.CG2 other bump:3.11892 Ang K9.CD and T16.N other bump:2.78932 Ang K9.CD and I15.C other bump:2.66813 Ang K9.NZ and I15.CA other bump:2.71342 Ang K9.CD and I15.CA other bump:2.73346 Ang K9.CE and I15.CA other bump:1.2519 Ang K9.NZ and I15.N other bump:2.41323 Ang K9.CD and I15.N other bump:1.78319 Ang K9.CE and I15.N other bump:1.15482 Ang K9.NZ and L14.C other bump:2.84931 Ang K9.CG and L14.C other bump:1.83538 Ang K9.CD and L14.C other bump:0.527586 Ang K9.CE and L14.C other bump:1.43636 Ang K9.CD and L14.O other bump:0.917557 Ang K9.CE and L14.O other bump:2.02695 Ang K9.NZ and L14.CB other bump:2.79521 Ang K9.CG and L14.CB other bump:3.12091 Ang K9.CD and L14.CB other bump:2.40657 Ang K9.CE and L14.CB other bump:1.38833 Ang K9.NZ and L14.CA other bump:2.9338 Ang K9.CD and L14.CA other bump:1.58902 Ang K9.CE and L14.CA other bump:2.30014 Ang K9.CE and L14.N T0187 111 :LIIGLIV 1lx7A 215 :MVAGVIV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.5178 Ang I3.O and I4.CG2 neighbor-bump: 2.9567 Ang I3.C and I4.CG2 Number of specific fragments= 11 total=47 Number of alignments=4 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeyB/T0187-1jeyB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1jeyB read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeyB/T0187-1jeyB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # adding 1jeyB to template set 1jeyB:# found chain 1jeyB in template set T0187 2 :KKP 1jeyB 51 :KDE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 5 :AALIFGGE 1jeyB 55 :ALVLFGTD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 13 :TVVHVK 1jeyB 77 :ITVHRH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.93369 Ang H5.CD2 and V6.CG2 T0187 19 :GNGIGGRNQELALSAAIAL 1jeyB 99 :QPGSQQADFLDALIVSMDV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.98564 Ang N9.CB and L12.CD1 T0187 38 :EGIE 1jeyB 121 :ETIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 42 :GVILCSAGTDGTDGPT 1jeyB 128 :EKRHIEIFTDLSSRFS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 2.4072 Ang G15.CA and P16.CD neighbor-bump: 1.81681 Ang G15.C and P16.CD other bump:2.7462 Ang D11.OD2 and T13.CG2 other bump:2.75873 Ang D11.CG and T13.CG2 T0187 65 :DGSTAKTLK 1jeyB 144 :KSQLDIIIH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 75 :MGEDPYQYLKNNDSYNALKKSG 1jeyB 195 :KGITEQQKEGLEIVKMVMISLE Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.89446 Ang N12.OD1 and Y16.CZ other bump:3.11779 Ang N12.CG and Y16.CE2 other bump:2.24328 Ang N12.OD1 and Y16.CE2 other bump:2.65691 Ang Y7.CE2 and K11.NZ other bump:2.41484 Ang Y7.CE2 and K11.CE other bump:2.7136 Ang Y7.CZ and K11.CE other bump:0.673222 Ang G1.O and Y9.OH other bump:1.36502 Ang G1.C and Y9.OH other bump:2.21427 Ang M2.CA and Y9.OH other bump:1.96914 Ang M2.N and Y9.OH other bump:1.24214 Ang G1.O and Y9.CZ other bump:2.46952 Ang G1.C and Y9.CZ other bump:2.11793 Ang G1.O and Y9.CE2 other bump:2.32511 Ang G1.O and Y9.CE1 other bump:2.52946 Ang D5.O and Y9.CD1 other bump:2.40988 Ang E4.OE1 and Q8.CD other bump:2.59107 Ang D5.OD2 and Q8.CG other bump:2.62543 Ang D5.OD2 and Q8.CB other bump:2.26564 Ang D5.OD2 and Q8.N T0187 97 :ALLIT 1jeyB 222 :DEIYS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.5475 Ang I5.CG2 and T6.O T0187 103 :PTGTNVN 1jeyB 231 :LRKLCVF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 110 :DLIIGLI 1jeyB 258 :SIRIAAY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 11 total=58 Number of alignments=5 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeyB/T0187-1jeyB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1jeyB read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeyB/T0187-1jeyB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1jeyB in template set T0187 2 :KKPA 1jeyB 51 :KDEI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 6 :ALIFGGE 1jeyB 56 :LVLFGTD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 13 :TVVHVK 1jeyB 77 :ITVHRH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.93369 Ang H5.CD2 and V6.CG2 T0187 19 :GNGIGGRNQELALSAAIAL 1jeyB 99 :QPGSQQADFLDALIVSMDV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.98564 Ang N9.CB and L12.CD1 T0187 38 :EGIE 1jeyB 121 :ETIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 42 :GVILCSAGTDGTDGPT 1jeyB 128 :EKRHIEIFTDLSSRFS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 2.4072 Ang G15.CA and P16.CD neighbor-bump: 1.81681 Ang G15.C and P16.CD other bump:2.7462 Ang D11.OD2 and T13.CG2 other bump:2.75873 Ang D11.CG and T13.CG2 T0187 65 :DGSTAKTLKA 1jeyB 144 :KSQLDIIIHS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 75 :MGEDPYQYLKNNDSYNALKKSG 1jeyB 195 :KGITEQQKEGLEIVKMVMISLE Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.89446 Ang N12.OD1 and Y16.CZ other bump:3.11779 Ang N12.CG and Y16.CE2 other bump:2.24328 Ang N12.OD1 and Y16.CE2 other bump:2.65691 Ang Y7.CE2 and K11.NZ other bump:2.41484 Ang Y7.CE2 and K11.CE other bump:2.7136 Ang Y7.CZ and K11.CE other bump:0.673222 Ang G1.O and Y9.OH other bump:1.36502 Ang G1.C and Y9.OH other bump:2.21427 Ang M2.CA and Y9.OH other bump:1.96914 Ang M2.N and Y9.OH other bump:1.24214 Ang G1.O and Y9.CZ other bump:2.46952 Ang G1.C and Y9.CZ other bump:2.11793 Ang G1.O and Y9.CE2 other bump:2.32511 Ang G1.O and Y9.CE1 other bump:2.52946 Ang D5.O and Y9.CD1 other bump:2.40988 Ang E4.OE1 and Q8.CD other bump:2.59107 Ang D5.OD2 and Q8.CG other bump:2.62543 Ang D5.OD2 and Q8.CB other bump:2.26564 Ang D5.OD2 and Q8.N T0187 97 :ALLIT 1jeyB 222 :DEIYS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.5475 Ang I5.CG2 and T6.O T0187 103 :PTGTNVN 1jeyB 231 :LRKLCVF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 110 :DLIIGLI 1jeyB 258 :SIRIAAY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 11 total=69 Number of alignments=6 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1k3fA/T0187-1k3fA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1k3fA read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1k3fA/T0187-1k3fA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # adding 1k3fA to template set 1k3fA:# found chain 1k3fA in template set T0187 1 :LKK 1k3fA 1 :MSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 4 :PAAL 1k3fA 20 :TLAI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 1.82789 Ang G1.C and P2.CD T0187 8 :IFGGETVVH 1k3fA 56 :ELDGKPVIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.05889 Ang G1.C and I2.CG1 T0187 18 :KGNGIGGRNQELALSAAIAL 1k3fA 65 :CSTGIGGPSTSIAVEELAQL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.42891 Ang L15.CD1 and I19.CD1 other bump:2.47007 Ang G8.C and E12.OE2 other bump:1.87896 Ang G8.O and E12.OE2 other bump:2.01238 Ang G8.C and E12.OE1 other bump:2.27721 Ang R9.CA and E12.OE1 other bump:2.62749 Ang R9.C and E12.OE1 other bump:1.17016 Ang G8.O and E12.OE1 other bump:2.54151 Ang G8.C and E12.CD other bump:3.30163 Ang R9.CA and E12.CD other bump:1.54275 Ang G8.O and E12.CD other bump:2.1368 Ang N4.ND2 and Q11.NE2 other bump:2.74712 Ang N4.ND2 and Q11.CD T0187 39 :GIEGVILCSAG 1k3fA 85 :GIRTFLRIGTT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.3818 Ang S10.CB and A11.N T0187 50 :TDG 1k3fA 103 :NVG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.27738 Ang G1.O and T2.OG1 T0187 53 :TDGPTDAAG 1k3fA 116 :LDGASLHFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.55447 Ang G4.N and P5.CD T0187 62 :GIVDGSTAKTL 1k3fA 130 :AVADFECTTAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.86304 Ang V4.CG1 and A9.CB T0187 73 :KAMGED 1k3fA 145 :KSIGAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 79 :PYQYLKN 1k3fA 184 :MEEWQAM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 3.0337 Ang Y3.CD1 and Q4.NE2 neighbor-bump: 2.65862 Ang Y3.CE1 and Q4.NE2 self-bump: 1.36505 Ang Q4.CA and Q4.CB self-bump: 1.3855 Ang P2.CA and P2.CB T0187 86 :NDSYNALKKSGA 1k3fA 197 :MESATLLTMCAS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.39625 Ang S11.CA and S11.CB T0187 98 :LLITGPTGT 1k3fA 219 :VIVNRTQQE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.90865 Ang G6.CA and P7.CD neighbor-bump: 2.48423 Ang G6.N and P7.CD neighbor-bump: 1.57651 Ang G6.O and P7.CD neighbor-bump: 0.899515 Ang G6.C and P7.CD neighbor-bump: 1.94266 Ang G6.O and P7.CG neighbor-bump: 2.13514 Ang G6.C and P7.CG T0187 107 :NV 1k3fA 230 :NA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 13 total=82 Number of alignments=7 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1k3fA/T0187-1k3fA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1k3fA read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1k3fA/T0187-1k3fA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1k3fA in template set T0187 1 :LKK 1k3fA 1 :MSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 4 :PAAL 1k3fA 20 :TLAI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 1.82789 Ang G1.C and P2.CD T0187 8 :IFGGETVVHVK 1k3fA 56 :ELDGKPVIVCS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 3.05889 Ang G1.C and I2.CG1 T0187 20 :NGIGGRNQELALSAAIAL 1k3fA 67 :TGIGGPSTSIAVEELAQL Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.42891 Ang L13.CD1 and I17.CD1 other bump:2.8192 Ang N2.CG and A12.CB other bump:1.64519 Ang N2.ND2 and A12.CB other bump:2.47007 Ang G6.C and E10.OE2 other bump:1.87896 Ang G6.O and E10.OE2 other bump:2.62749 Ang R7.C and E10.OE1 other bump:2.01238 Ang G6.C and E10.OE1 other bump:2.27721 Ang R7.CA and E10.OE1 other bump:1.17016 Ang G6.O and E10.OE1 other bump:2.54151 Ang G6.C and E10.CD other bump:3.30163 Ang R7.CA and E10.CD other bump:1.54275 Ang G6.O and E10.CD other bump:2.31256 Ang N2.OD1 and Q9.NE2 other bump:3.06445 Ang N2.CG and Q9.CD other bump:2.69145 Ang N2.OD1 and Q9.CD self-bump: 2.1658 Ang N2.CB and N2.C T0187 39 :GIEGVILCSAG 1k3fA 85 :GIRTFLRIGTT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.3818 Ang S10.CB and A11.N T0187 50 :TDG 1k3fA 103 :NVG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.27738 Ang G1.O and T2.OG1 T0187 53 :TDGPTDAAG 1k3fA 116 :LDGASLHFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.55447 Ang G4.N and P5.CD T0187 62 :GIVDGSTAKTL 1k3fA 130 :AVADFECTTAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.86304 Ang V4.CG1 and A9.CB T0187 73 :KAMGED 1k3fA 145 :KSIGAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 79 :PYQYLKNN 1k3fA 184 :MEEWQAMG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 3.0337 Ang Y3.CD1 and Q4.NE2 neighbor-bump: 2.65862 Ang Y3.CE1 and Q4.NE2 self-bump: 1.36505 Ang Q4.CA and Q4.CB self-bump: 1.3855 Ang P2.CA and P2.CB T0187 87 :DSYNALKKSGA 1k3fA 198 :ESATLLTMCAS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues self-bump: 1.39625 Ang S10.CA and S10.CB T0187 98 :LLITGPTGT 1k3fA 219 :VIVNRTQQE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.90865 Ang G6.CA and P7.CD neighbor-bump: 2.48423 Ang G6.N and P7.CD neighbor-bump: 1.57651 Ang G6.O and P7.CD neighbor-bump: 0.899515 Ang G6.C and P7.CD neighbor-bump: 1.94266 Ang G6.O and P7.CG neighbor-bump: 2.13514 Ang G6.C and P7.CG T0187 116 :IV 1k3fA 228 :IP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues neighbor-bump: 2.95277 Ang I2.CB and V3.CA Number of specific fragments= 13 total=95 Number of alignments=8 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1je0A/T0187-1je0A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1je0A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1je0A/T0187-1je0A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # adding 1je0A to template set 1je0A:# found chain 1je0A in template set T0187 4 :P 1je0A 4 :V Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 5 :AALIFGG 1je0A 16 :RVLVVGD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:3.08401 Ang L4.CG and F6.CE2 T0187 12 :ETV 1je0A 37 :KLT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 15 :VHVKGNGIGGRNQELALSAA 1je0A 57 :VSIATHGIGGPSIAIVLEEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.68987 Ang G11.C and E15.OE2 other bump:2.32122 Ang G11.O and E15.OE2 other bump:1.75239 Ang G11.C and E15.OE1 other bump:2.69391 Ang R12.CA and E15.OE1 other bump:0.799426 Ang G11.O and E15.OE1 other bump:2.53072 Ang G11.C and E15.CD other bump:3.27352 Ang G11.CA and E15.CD other bump:1.72679 Ang G11.O and E15.CD other bump:1.82962 Ang N7.ND2 and Q14.NE2 other bump:2.44598 Ang N7.ND2 and Q14.CD other bump:2.4116 Ang N7.ND2 and Q14.CG other bump:3.06467 Ang N7.CG and Q14.CG T0187 36 :ALEGIE 1je0A 77 :AMLGAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 44 :ILCSAGTDGTDGPTDAAG 1je0A 83 :VFIRYGTTGALVPYINLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 62 :GIVD 1je0A 124 :ACVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 66 :GSTAKTLKAMGED 1je0A 136 :NKLVTSFSKRNLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 79 :PYQYLKNN 1je0A 167 :FVKKWSSR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 87 :DSYNALKKSGALLIT 1je0A 185 :TLFTLSKVKGWKSAT Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.83558 Ang Y4.OH and T16.CB other bump:1.89958 Ang L7.CG and L14.CD2 other bump:1.13917 Ang L7.CD1 and L14.CD2 other bump:1.71238 Ang L7.CB and L14.CD1 other bump:1.63235 Ang L7.CG and L14.CD1 other bump:2.18646 Ang L7.CD2 and L14.CD1 other bump:1.61311 Ang L7.CD1 and L14.CD1 other bump:2.97632 Ang L7.CB and L14.CG other bump:2.06372 Ang L7.CG and L14.CG other bump:2.51306 Ang L7.CD2 and L14.CG other bump:0.939413 Ang L7.CD1 and L14.CG other bump:1.84977 Ang L7.CD1 and L14.CB other bump:2.85495 Ang L7.CD2 and A12.CB T0187 113 :IGLI 1je0A 200 :VLVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 11 total=106 Number of alignments=9 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1je0A/T0187-1je0A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1je0A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1je0A/T0187-1je0A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1je0A in template set T0187 4 :P 1je0A 4 :V Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 5 :AALIFG 1je0A 16 :RVLVVG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:3.08401 Ang L4.CG and F6.CE2 T0187 12 :ETV 1je0A 37 :KLT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 16 :HVKGN 1je0A 49 :TGKYN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 21 :GIGGRNQELALSA 1je0A 63 :GIGGPSIAIVLEE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.68987 Ang G5.C and E9.OE2 other bump:2.32122 Ang G5.O and E9.OE2 other bump:1.75239 Ang G5.C and E9.OE1 other bump:2.69391 Ang R6.CA and E9.OE1 other bump:0.799426 Ang G5.O and E9.OE1 other bump:2.53072 Ang G5.C and E9.CD other bump:1.72679 Ang G5.O and E9.CD other bump:3.27352 Ang G5.CA and E9.CD T0187 35 :IALEGIE 1je0A 76 :LAMLGAN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.54319 Ang I2.CB and I7.CD1 other bump:1.09406 Ang I2.CG2 and I7.CD1 other bump:2.18601 Ang I2.CG2 and I7.CG1 other bump:2.70506 Ang I2.CG2 and I7.CB T0187 44 :ILCSAGTD 1je0A 83 :VFIRYGTT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 54 :DGPTDAAGGI 1je0A 93 :LVPYINLGEY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 64 :VD 1je0A 126 :VA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 66 :GSTAKTLKAMGED 1je0A 136 :NKLVTSFSKRNLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 79 :PYQYLKNN 1je0A 167 :FVKKWSSR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 87 :DSYNALKKSGALLITG 1je0A 184 :ATLFTLSKVKGWKSAT Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:0.90274 Ang K8.CG and I15.CD1 other bump:2.60966 Ang Y4.O and I15.CD1 other bump:2.04474 Ang K8.CE and I15.CD1 other bump:1.87758 Ang K8.CB and I15.CD1 other bump:0.815395 Ang K8.CD and I15.CD1 other bump:1.99855 Ang Y4.CD2 and I15.CG2 other bump:2.4459 Ang Y4.CZ and I15.CG2 other bump:2.47923 Ang K8.CE and I15.CG2 other bump:2.5825 Ang K8.CD and I15.CG2 other bump:1.50739 Ang Y4.CE2 and I15.CG2 other bump:1.43098 Ang K8.NZ and I15.CG2 other bump:2.07121 Ang K8.CG and I15.CG1 other bump:1.7681 Ang K8.CE and I15.CG1 other bump:2.90264 Ang K8.CB and I15.CG1 other bump:0.78933 Ang K8.CD and I15.CG1 other bump:2.45215 Ang K8.NZ and I15.CG1 other bump:2.55839 Ang K8.CE and I15.CB other bump:1.9057 Ang K8.CD and I15.CB other bump:2.82973 Ang Y4.CE2 and I15.CB other bump:2.27221 Ang K8.NZ and I15.CB other bump:3.25176 Ang K8.CD and I15.CA neighbor-bump: 2.09164 Ang G11.O and A12.CB neighbor-bump: 2.39137 Ang G11.C and A12.CB other bump:2.54332 Ang Y4.CD1 and K8.NZ other bump:1.90266 Ang Y4.CD2 and K8.NZ other bump:1.98019 Ang Y4.CE1 and K8.NZ other bump:1.10564 Ang Y4.CZ and K8.NZ other bump:1.00578 Ang Y4.CE2 and K8.NZ other bump:2.12685 Ang Y4.OH and K8.NZ other bump:2.82165 Ang Y4.CG and K8.CE other bump:2.37238 Ang Y4.CD1 and K8.CE other bump:2.85473 Ang Y4.CD2 and K8.CE other bump:1.90082 Ang Y4.CE1 and K8.CE other bump:1.97466 Ang Y4.CZ and K8.CE other bump:2.46999 Ang Y4.CE2 and K8.CE T0187 113 :IGLI 1je0A 200 :VLVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 13 total=119 Number of alignments=10 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1ex2A/T0187-1ex2A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1ex2A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1ex2A/T0187-1ex2A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # adding 1ex2A to template set 1ex2A:# found chain 1ex2A in template set T0187 1 :LKKPAAL 1ex2A 1 :MTKPLIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.5673 Ang K2.CG and K3.N T0187 8 :IFGGETVVHVKGN 1ex2A 66 :VIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.60838 Ang H10.ND1 and N14.C other bump:3.11507 Ang H10.CE1 and N14.C other bump:2.48385 Ang H10.ND1 and N14.O other bump:3.10212 Ang H10.ND1 and N14.CA other bump:2.93438 Ang H10.CE1 and N14.CA other bump:2.58755 Ang H10.ND1 and N14.N other bump:1.883 Ang H10.CE1 and N14.N other bump:2.49167 Ang H10.ND1 and G13.C other bump:1.40134 Ang H10.CE1 and G13.C other bump:2.33254 Ang H10.NE2 and G13.C other bump:2.11022 Ang H10.CE1 and G13.O other bump:3.11139 Ang H10.CD2 and G13.CA other bump:3.11212 Ang H10.ND1 and G13.CA other bump:1.80231 Ang H10.CE1 and G13.CA other bump:1.73611 Ang H10.NE2 and G13.CA other bump:2.93404 Ang H10.CD2 and G13.N other bump:2.18369 Ang H10.CE1 and G13.N other bump:1.81709 Ang H10.NE2 and G13.N T0187 21 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 24 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 T0187 59 :AAGGI 1ex2A 111 :AENHS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 64 :VDGSTAKTLKAMGE 1ex2A 129 :LSEEEIWTYIETKE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.39803 Ang D3.OD1 and T6.OG1 T0187 78 :DPYQYL 1ex2A 166 :DYYSVM Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.38353 Ang D2.CG and Q5.NE2 other bump:1.29896 Ang D2.OD2 and Q5.NE2 other bump:1.25804 Ang D2.CG and Q5.OE1 other bump:1.7306 Ang D2.OD2 and Q5.OE1 other bump:2.49605 Ang D2.CA and Q5.OE1 other bump:1.22814 Ang D2.CB and Q5.OE1 other bump:2.02023 Ang D2.CG and Q5.CD other bump:1.60082 Ang D2.OD2 and Q5.CD other bump:2.31225 Ang D2.CB and Q5.CD T0187 85 :NNDSYNALKKSGA 1ex2A 172 :GLPISKTMRALRH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.32374 Ang G1.O and N2.CG Number of specific fragments= 8 total=127 Number of alignments=11 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1ex2A/T0187-1ex2A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1ex2A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1ex2A/T0187-1ex2A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :LKKPAAL 1ex2A 1 :MTKPLIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.5673 Ang K2.CG and K3.N T0187 8 :IFGGETVVHVKGN 1ex2A 66 :VIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.60838 Ang H10.ND1 and N14.C other bump:3.11507 Ang H10.CE1 and N14.C other bump:2.48385 Ang H10.ND1 and N14.O other bump:3.10212 Ang H10.ND1 and N14.CA other bump:2.93438 Ang H10.CE1 and N14.CA other bump:2.58755 Ang H10.ND1 and N14.N other bump:1.883 Ang H10.CE1 and N14.N other bump:2.49167 Ang H10.ND1 and G13.C other bump:1.40134 Ang H10.CE1 and G13.C other bump:2.33254 Ang H10.NE2 and G13.C other bump:2.11022 Ang H10.CE1 and G13.O other bump:3.11139 Ang H10.CD2 and G13.CA other bump:3.11212 Ang H10.ND1 and G13.CA other bump:1.80231 Ang H10.CE1 and G13.CA other bump:1.73611 Ang H10.NE2 and G13.CA other bump:2.93404 Ang H10.CD2 and G13.N other bump:2.18369 Ang H10.CE1 and G13.N other bump:1.81709 Ang H10.NE2 and G13.N T0187 21 :GIG 1ex2A 81 :GKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 25 :RNQELALSAAIALEGI 1ex2A 84 :QDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.53496 Ang L14.O and I17.CG2 other bump:3.11552 Ang L14.C and I17.CG2 T0187 60 :AG 1ex2A 112 :EN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 62 :GI 1ex2A 125 :AF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 64 :VDGSTAKTLKAMGE 1ex2A 129 :LSEEEIWTYIETKE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.39803 Ang D3.OD1 and T6.OG1 T0187 78 :DPYQYL 1ex2A 166 :DYYSVM Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.38353 Ang D2.CG and Q5.NE2 other bump:1.29896 Ang D2.OD2 and Q5.NE2 other bump:1.25804 Ang D2.CG and Q5.OE1 other bump:1.7306 Ang D2.OD2 and Q5.OE1 other bump:2.49605 Ang D2.CA and Q5.OE1 other bump:1.22814 Ang D2.CB and Q5.OE1 other bump:2.02023 Ang D2.CG and Q5.CD other bump:1.60082 Ang D2.OD2 and Q5.CD other bump:2.31225 Ang D2.CB and Q5.CD T0187 85 :NNDSYNALKKSGA 1ex2A 172 :GLPISKTMRALRH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.32374 Ang G1.O and N2.CG Number of specific fragments= 9 total=136 Number of alignments=12 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1je0A/T0187-1je0A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1je0A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1je0A/T0187-1je0A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1je0A in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIAL 1je0A 55 :ETVSIATHGIGGPSIAIVLEELAML Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68987 Ang G13.C and E17.OE2 other bump:2.32122 Ang G13.O and E17.OE2 other bump:1.75239 Ang G13.C and E17.OE1 other bump:2.69391 Ang R14.CA and E17.OE1 other bump:0.799426 Ang G13.O and E17.OE1 other bump:2.53072 Ang G13.C and E17.CD other bump:1.72679 Ang G13.O and E17.CD other bump:3.27352 Ang G13.CA and E17.CD other bump:1.82962 Ang N9.ND2 and Q16.NE2 other bump:2.44598 Ang N9.ND2 and Q16.CD other bump:3.06467 Ang N9.CG and Q16.CG other bump:2.4116 Ang N9.ND2 and Q16.CG T0187 41 :EGVILCSAGTDG 1je0A 80 :GANVFIRYGTTG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 3.05985 Ang G3.C and V4.CG1 neighbor-bump: 2.42824 Ang G1.O and E2.CG Number of specific fragments= 2 total=138 Number of alignments=13 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1je0A/T0187-1je0A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1je0A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1je0A/T0187-1je0A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1je0A in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIAL 1je0A 55 :ETVSIATHGIGGPSIAIVLEELAML Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68987 Ang G13.C and E17.OE2 other bump:2.32122 Ang G13.O and E17.OE2 other bump:1.75239 Ang G13.C and E17.OE1 other bump:2.69391 Ang R14.CA and E17.OE1 other bump:0.799426 Ang G13.O and E17.OE1 other bump:2.53072 Ang G13.C and E17.CD other bump:1.72679 Ang G13.O and E17.CD other bump:3.27352 Ang G13.CA and E17.CD other bump:1.82962 Ang N9.ND2 and Q16.NE2 other bump:2.44598 Ang N9.ND2 and Q16.CD other bump:3.06467 Ang N9.CG and Q16.CG other bump:2.4116 Ang N9.ND2 and Q16.CG T0187 41 :EGVILCSAGTDG 1je0A 80 :GANVFIRYGTTG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 3.05985 Ang G3.C and V4.CG1 neighbor-bump: 2.42824 Ang G1.O and E2.CG Number of specific fragments= 2 total=140 Number of alignments=14 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1je0A/T0187-1je0A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1je0A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1je0A/T0187-1je0A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1je0A in template set T0187 10 :GGE 1je0A 53 :NGE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 14 :VVHVKGNGIGGRNQELALSAAIAL 1je0A 56 :TVSIATHGIGGPSIAIVLEELAML Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.68987 Ang G12.C and E16.OE2 other bump:2.32122 Ang G12.O and E16.OE2 other bump:1.75239 Ang G12.C and E16.OE1 other bump:2.69391 Ang R13.CA and E16.OE1 other bump:0.799426 Ang G12.O and E16.OE1 other bump:2.53072 Ang G12.C and E16.CD other bump:1.72679 Ang G12.O and E16.CD other bump:3.27352 Ang G12.CA and E16.CD other bump:1.82962 Ang N8.ND2 and Q15.NE2 other bump:2.44598 Ang N8.ND2 and Q15.CD other bump:3.06467 Ang N8.CG and Q15.CG other bump:2.4116 Ang N8.ND2 and Q15.CG T0187 41 :EGVILCSAGTDG 1je0A 80 :GANVFIRYGTTG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 3.05985 Ang G3.C and V4.CG1 neighbor-bump: 2.42824 Ang G1.O and E2.CG Number of specific fragments= 3 total=143 Number of alignments=15 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1je0A/T0187-1je0A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1je0A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1je0A/T0187-1je0A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1je0A in template set T0187 10 :GGE 1je0A 53 :NGE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 14 :VVHVKGNGIGGRNQELALSAAIAL 1je0A 56 :TVSIATHGIGGPSIAIVLEELAML Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.68987 Ang G12.C and E16.OE2 other bump:2.32122 Ang G12.O and E16.OE2 other bump:1.75239 Ang G12.C and E16.OE1 other bump:2.69391 Ang R13.CA and E16.OE1 other bump:0.799426 Ang G12.O and E16.OE1 other bump:2.53072 Ang G12.C and E16.CD other bump:1.72679 Ang G12.O and E16.CD other bump:3.27352 Ang G12.CA and E16.CD other bump:1.82962 Ang N8.ND2 and Q15.NE2 other bump:2.44598 Ang N8.ND2 and Q15.CD other bump:3.06467 Ang N8.CG and Q15.CG other bump:2.4116 Ang N8.ND2 and Q15.CG T0187 41 :EGVILCSAGTDG 1je0A 80 :GANVFIRYGTTG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 3.05985 Ang G3.C and V4.CG1 neighbor-bump: 2.42824 Ang G1.O and E2.CG Number of specific fragments= 3 total=146 Number of alignments=16 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jmxA/T0187-1jmxA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1jmxA read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jmxA/T0187-1jmxA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # adding 1jmxA to template set 1jmxA:# found chain 1jmxA in template set T0187 3 :KPAALIFGGETVVHVKGNGIGGR 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=147 Number of alignments=17 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jmxA/T0187-1jmxA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1jmxA read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jmxA/T0187-1jmxA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 4 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=148 Number of alignments=18 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jmxA/T0187-1jmxA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1jmxA read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jmxA/T0187-1jmxA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :KPAALIFGGETVVHVKGNGIGGR 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=149 Number of alignments=19 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jmxA/T0187-1jmxA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1jmxA read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jmxA/T0187-1jmxA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 4 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=150 Number of alignments=20 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1lx7A/T0187-1lx7A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1lx7A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1lx7A/T0187-1lx7A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1lx7A in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1lx7A 60 :KPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.68581 Ang N9.ND2 and A19.CB other bump:2.73983 Ang G13.C and E17.OE2 other bump:2.38673 Ang G13.O and E17.OE2 other bump:1.91688 Ang G13.C and E17.OE1 other bump:1.10646 Ang G13.O and E17.OE1 other bump:2.54858 Ang R14.CA and E17.OE1 other bump:2.64874 Ang G13.C and E17.CD other bump:1.88574 Ang G13.O and E17.CD other bump:2.11062 Ang N9.CG and Q16.NE2 other bump:1.72809 Ang N9.OD1 and Q16.NE2 other bump:2.26242 Ang N9.ND2 and Q16.NE2 other bump:1.74077 Ang N9.CG and Q16.OE1 other bump:1.67239 Ang N9.OD1 and Q16.OE1 other bump:2.14561 Ang N9.CB and Q16.OE1 other bump:1.98084 Ang N9.CG and Q16.CD other bump:1.88759 Ang N9.OD1 and Q16.CD other bump:2.99538 Ang N9.CB and Q16.CD other bump:2.37557 Ang N9.ND2 and Q16.CD self-bump: 2.08589 Ang N9.CB and N9.C other bump:2.87982 Ang H5.CE1 and K7.CB other bump:2.24426 Ang H5.NE2 and K7.CB T0187 43 :VILCSAGTDGTDGPTDAAGGIV 1lx7A 87 :RTFLRIGTTGAIQPHINVGDVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues Number of specific fragments= 2 total=152 Number of alignments=21 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1lx7A/T0187-1lx7A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1lx7A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1lx7A/T0187-1lx7A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1lx7A in template set T0187 11 :GE 1lx7A 59 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 14 :VVHVKGNGIGGRNQELALSAAIALE 1lx7A 61 :PVIVCSTGIGGPSTSIAVEELAQLG Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68581 Ang N8.ND2 and A18.CB other bump:2.73983 Ang G12.C and E16.OE2 other bump:2.38673 Ang G12.O and E16.OE2 other bump:1.91688 Ang G12.C and E16.OE1 other bump:1.10646 Ang G12.O and E16.OE1 other bump:2.54858 Ang R13.CA and E16.OE1 other bump:2.64874 Ang G12.C and E16.CD other bump:1.88574 Ang G12.O and E16.CD other bump:2.11062 Ang N8.CG and Q15.NE2 other bump:1.72809 Ang N8.OD1 and Q15.NE2 other bump:2.26242 Ang N8.ND2 and Q15.NE2 other bump:2.14561 Ang N8.CB and Q15.OE1 other bump:1.74077 Ang N8.CG and Q15.OE1 other bump:1.67239 Ang N8.OD1 and Q15.OE1 other bump:2.99538 Ang N8.CB and Q15.CD other bump:1.98084 Ang N8.CG and Q15.CD other bump:1.88759 Ang N8.OD1 and Q15.CD other bump:2.37557 Ang N8.ND2 and Q15.CD self-bump: 2.08589 Ang N8.CB and N8.C other bump:2.87982 Ang H4.CE1 and K6.CB other bump:2.24426 Ang H4.NE2 and K6.CB T0187 42 :GVILCSAGTDGTDGPTDAAG 1lx7A 86 :IRTFLRIGTTGAIQPHINVG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues Number of specific fragments= 3 total=155 Number of alignments=22 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1lx7A/T0187-1lx7A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1lx7A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1lx7A/T0187-1lx7A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1lx7A in template set T0187 11 :GE 1lx7A 59 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 14 :VVHVKGNGIGGRNQELALSAAIALE 1lx7A 61 :PVIVCSTGIGGPSTSIAVEELAQLG Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68581 Ang N8.ND2 and A18.CB other bump:2.73983 Ang G12.C and E16.OE2 other bump:2.38673 Ang G12.O and E16.OE2 other bump:1.91688 Ang G12.C and E16.OE1 other bump:1.10646 Ang G12.O and E16.OE1 other bump:2.54858 Ang R13.CA and E16.OE1 other bump:2.64874 Ang G12.C and E16.CD other bump:1.88574 Ang G12.O and E16.CD other bump:2.11062 Ang N8.CG and Q15.NE2 other bump:1.72809 Ang N8.OD1 and Q15.NE2 other bump:2.26242 Ang N8.ND2 and Q15.NE2 other bump:2.14561 Ang N8.CB and Q15.OE1 other bump:1.74077 Ang N8.CG and Q15.OE1 other bump:1.67239 Ang N8.OD1 and Q15.OE1 other bump:2.99538 Ang N8.CB and Q15.CD other bump:1.98084 Ang N8.CG and Q15.CD other bump:1.88759 Ang N8.OD1 and Q15.CD other bump:2.37557 Ang N8.ND2 and Q15.CD self-bump: 2.08589 Ang N8.CB and N8.C other bump:2.87982 Ang H4.CE1 and K6.CB other bump:2.24426 Ang H4.NE2 and K6.CB T0187 42 :GVILCSAGTDGTDGPTDAAG 1lx7A 86 :IRTFLRIGTTGAIQPHINVG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues Number of specific fragments= 3 total=158 Number of alignments=23 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1lx7A/T0187-1lx7A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1lx7A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1lx7A/T0187-1lx7A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1lx7A in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1lx7A 60 :KPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.68581 Ang N9.ND2 and A19.CB other bump:2.73983 Ang G13.C and E17.OE2 other bump:2.38673 Ang G13.O and E17.OE2 other bump:1.91688 Ang G13.C and E17.OE1 other bump:1.10646 Ang G13.O and E17.OE1 other bump:2.54858 Ang R14.CA and E17.OE1 other bump:2.64874 Ang G13.C and E17.CD other bump:1.88574 Ang G13.O and E17.CD other bump:2.11062 Ang N9.CG and Q16.NE2 other bump:1.72809 Ang N9.OD1 and Q16.NE2 other bump:2.26242 Ang N9.ND2 and Q16.NE2 other bump:1.74077 Ang N9.CG and Q16.OE1 other bump:1.67239 Ang N9.OD1 and Q16.OE1 other bump:2.14561 Ang N9.CB and Q16.OE1 other bump:1.98084 Ang N9.CG and Q16.CD other bump:1.88759 Ang N9.OD1 and Q16.CD other bump:2.99538 Ang N9.CB and Q16.CD other bump:2.37557 Ang N9.ND2 and Q16.CD self-bump: 2.08589 Ang N9.CB and N9.C other bump:2.87982 Ang H5.CE1 and K7.CB other bump:2.24426 Ang H5.NE2 and K7.CB T0187 43 :VILCSAGTDGTDGPTDAAGGIV 1lx7A 87 :RTFLRIGTTGAIQPHINVGDVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues Number of specific fragments= 2 total=160 Number of alignments=24 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1ex2A/T0187-1ex2A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1ex2A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1ex2A/T0187-1ex2A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 7 :LIFGGETVVHVKGNGIG 1ex2A 65 :IVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.60838 Ang H11.ND1 and N15.C other bump:3.11507 Ang H11.CE1 and N15.C other bump:2.48385 Ang H11.ND1 and N15.O other bump:3.10212 Ang H11.ND1 and N15.CA other bump:2.93438 Ang H11.CE1 and N15.CA other bump:2.58755 Ang H11.ND1 and N15.N other bump:1.883 Ang H11.CE1 and N15.N other bump:2.49167 Ang H11.ND1 and G14.C other bump:1.40134 Ang H11.CE1 and G14.C other bump:2.33254 Ang H11.NE2 and G14.C other bump:2.11022 Ang H11.CE1 and G14.O other bump:3.11139 Ang H11.CD2 and G14.CA other bump:3.11212 Ang H11.ND1 and G14.CA other bump:1.80231 Ang H11.CE1 and G14.CA other bump:1.73611 Ang H11.NE2 and G14.CA other bump:2.93404 Ang H11.CD2 and G14.N other bump:2.18369 Ang H11.CE1 and G14.N other bump:1.81709 Ang H11.NE2 and G14.N T0187 24 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 Number of specific fragments= 2 total=162 Number of alignments=25 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1ex2A/T0187-1ex2A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1ex2A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1ex2A/T0187-1ex2A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 4 :PAALIFGGETVVHVKGNGIG 1ex2A 62 :PHAIVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N T0187 24 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 Number of specific fragments= 2 total=164 Number of alignments=26 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1ex2A/T0187-1ex2A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1ex2A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1ex2A/T0187-1ex2A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 4 :PAALIFGGETVVHVKGNGIG 1ex2A 62 :PHAIVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N T0187 24 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 Number of specific fragments= 2 total=166 Number of alignments=27 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1ex2A/T0187-1ex2A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1ex2A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1ex2A/T0187-1ex2A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 7 :LIFGGETVVHVKGNGIG 1ex2A 65 :IVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.60838 Ang H11.ND1 and N15.C other bump:3.11507 Ang H11.CE1 and N15.C other bump:2.48385 Ang H11.ND1 and N15.O other bump:3.10212 Ang H11.ND1 and N15.CA other bump:2.93438 Ang H11.CE1 and N15.CA other bump:2.58755 Ang H11.ND1 and N15.N other bump:1.883 Ang H11.CE1 and N15.N other bump:2.49167 Ang H11.ND1 and G14.C other bump:1.40134 Ang H11.CE1 and G14.C other bump:2.33254 Ang H11.NE2 and G14.C other bump:2.11022 Ang H11.CE1 and G14.O other bump:3.11139 Ang H11.CD2 and G14.CA other bump:3.11212 Ang H11.ND1 and G14.CA other bump:1.80231 Ang H11.CE1 and G14.CA other bump:1.73611 Ang H11.NE2 and G14.CA other bump:2.93404 Ang H11.CD2 and G14.N other bump:2.18369 Ang H11.CE1 and G14.N other bump:1.81709 Ang H11.NE2 and G14.N T0187 24 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 Number of specific fragments= 2 total=168 Number of alignments=28 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1k3fA/T0187-1k3fA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1k3fA read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1k3fA/T0187-1k3fA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1k3fA in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1k3fA 60 :KPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.1815 Ang L26.O and E27.CG neighbor-bump: 2.72185 Ang L26.C and E27.CG other bump:2.42891 Ang L20.CD1 and I24.CD1 other bump:2.47007 Ang G13.C and E17.OE2 other bump:1.87896 Ang G13.O and E17.OE2 other bump:2.27721 Ang R14.CA and E17.OE1 other bump:2.62749 Ang R14.C and E17.OE1 other bump:2.01238 Ang G13.C and E17.OE1 other bump:1.17016 Ang G13.O and E17.OE1 other bump:3.30163 Ang R14.CA and E17.CD other bump:2.54151 Ang G13.C and E17.CD other bump:1.54275 Ang G13.O and E17.CD other bump:2.1368 Ang N9.ND2 and Q16.NE2 other bump:2.74712 Ang N9.ND2 and Q16.CD T0187 43 :VILCSAGTDG 1k3fA 87 :RTFLRIGTTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 2 total=170 Number of alignments=29 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1k3fA/T0187-1k3fA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1k3fA read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1k3fA/T0187-1k3fA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1k3fA in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1k3fA 60 :KPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.1815 Ang L26.O and E27.CG neighbor-bump: 2.72185 Ang L26.C and E27.CG other bump:2.42891 Ang L20.CD1 and I24.CD1 other bump:2.47007 Ang G13.C and E17.OE2 other bump:1.87896 Ang G13.O and E17.OE2 other bump:2.27721 Ang R14.CA and E17.OE1 other bump:2.62749 Ang R14.C and E17.OE1 other bump:2.01238 Ang G13.C and E17.OE1 other bump:1.17016 Ang G13.O and E17.OE1 other bump:3.30163 Ang R14.CA and E17.CD other bump:2.54151 Ang G13.C and E17.CD other bump:1.54275 Ang G13.O and E17.CD other bump:2.1368 Ang N9.ND2 and Q16.NE2 other bump:2.74712 Ang N9.ND2 and Q16.CD T0187 43 :VILCSAGTDG 1k3fA 87 :RTFLRIGTTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 2 total=172 Number of alignments=30 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1k3fA/T0187-1k3fA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1k3fA read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1k3fA/T0187-1k3fA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1k3fA in template set T0187 11 :GE 1k3fA 59 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 14 :VVHVKGNGIGGRNQELALSAAIALEG 1k3fA 61 :PVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues neighbor-bump: 2.1815 Ang L25.O and E26.CG neighbor-bump: 2.72185 Ang L25.C and E26.CG other bump:2.42891 Ang L19.CD1 and I23.CD1 other bump:1.87896 Ang G12.O and E16.OE2 other bump:2.47007 Ang G12.C and E16.OE2 other bump:2.27721 Ang R13.CA and E16.OE1 other bump:2.62749 Ang R13.C and E16.OE1 other bump:1.17016 Ang G12.O and E16.OE1 other bump:2.01238 Ang G12.C and E16.OE1 other bump:3.30163 Ang R13.CA and E16.CD other bump:1.54275 Ang G12.O and E16.CD other bump:2.54151 Ang G12.C and E16.CD other bump:2.1368 Ang N8.ND2 and Q15.NE2 other bump:2.74712 Ang N8.ND2 and Q15.CD T0187 43 :VILCSAGTDGT 1k3fA 87 :RTFLRIGTTGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 3 total=175 Number of alignments=31 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1k3fA/T0187-1k3fA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1k3fA read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1k3fA/T0187-1k3fA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1k3fA in template set T0187 11 :GE 1k3fA 59 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 14 :VVHVKGNGIGGRNQELALSAAIALEG 1k3fA 61 :PVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues neighbor-bump: 2.1815 Ang L25.O and E26.CG neighbor-bump: 2.72185 Ang L25.C and E26.CG other bump:2.42891 Ang L19.CD1 and I23.CD1 other bump:1.87896 Ang G12.O and E16.OE2 other bump:2.47007 Ang G12.C and E16.OE2 other bump:2.27721 Ang R13.CA and E16.OE1 other bump:2.62749 Ang R13.C and E16.OE1 other bump:1.17016 Ang G12.O and E16.OE1 other bump:2.01238 Ang G12.C and E16.OE1 other bump:3.30163 Ang R13.CA and E16.CD other bump:1.54275 Ang G12.O and E16.CD other bump:2.54151 Ang G12.C and E16.CD other bump:2.1368 Ang N8.ND2 and Q15.NE2 other bump:2.74712 Ang N8.ND2 and Q15.CD T0187 43 :VILCSAGTDGT 1k3fA 87 :RTFLRIGTTGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 3 total=178 Number of alignments=32 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeqB/T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1jeqB read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeqB/T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1jeqB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGPTDAAG 1jeqB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 2.21128 Ang A34.C and A35.CB neighbor-bump: 1.73252 Ang A34.O and A35.CB other bump:2.83318 Ang T28.CG2 and D33.OD2 other bump:2.05771 Ang G30.N and D33.OD2 other bump:2.841 Ang G30.CA and D33.OD2 other bump:2.87974 Ang T28.CG2 and D33.CG other bump:3.10467 Ang G30.N and D33.CG Number of specific fragments= 1 total=179 Number of alignments=33 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeqB/T0187-1jeqB-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1jeqB read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeqB/T0187-1jeqB-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1jeqB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGPTDAAG 1jeqB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 2.21128 Ang A34.C and A35.CB neighbor-bump: 1.73252 Ang A34.O and A35.CB other bump:2.83318 Ang T28.CG2 and D33.OD2 other bump:2.05771 Ang G30.N and D33.OD2 other bump:2.841 Ang G30.CA and D33.OD2 other bump:2.87974 Ang T28.CG2 and D33.CG other bump:3.10467 Ang G30.N and D33.CG Number of specific fragments= 1 total=180 Number of alignments=34 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeqB/T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1jeqB read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeqB/T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1jeqB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGP 1jeqB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues Number of specific fragments= 1 total=181 Number of alignments=35 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeqB/T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1jeqB read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeqB/T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1jeqB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGP 1jeqB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues Number of specific fragments= 1 total=182 Number of alignments=36 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeyB/T0187-1jeyB-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1jeyB read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeyB/T0187-1jeyB-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1jeyB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGPTDAAG 1jeyB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 1.86614 Ang A34.O and A35.CB neighbor-bump: 2.29633 Ang A34.C and A35.CB other bump:2.63108 Ang T28.CG2 and D33.OD2 other bump:2.95527 Ang T28.CG2 and D33.CG Number of specific fragments= 1 total=183 Number of alignments=37 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeyB/T0187-1jeyB-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1jeyB read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeyB/T0187-1jeyB-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1jeyB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGP 1jeyB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues Number of specific fragments= 1 total=184 Number of alignments=38 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeyB/T0187-1jeyB-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1jeyB read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeyB/T0187-1jeyB-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1jeyB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGP 1jeyB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues Number of specific fragments= 1 total=185 Number of alignments=39 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeyB/T0187-1jeyB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1jeyB read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jeyB/T0187-1jeyB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1jeyB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGPTDAAG 1jeyB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 1.86614 Ang A34.O and A35.CB neighbor-bump: 2.29633 Ang A34.C and A35.CB other bump:2.63108 Ang T28.CG2 and D33.OD2 other bump:2.95527 Ang T28.CG2 and D33.CG Number of specific fragments= 1 total=186 Number of alignments=40 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1je0A/T0187-1je0A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1je0A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1je0A/T0187-1je0A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1je0A in template set T0187 4 :P 1je0A 4 :V Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 5 :AALIFG 1je0A 16 :RVLVVG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:3.08401 Ang L4.CG and F6.CE2 T0187 13 :TVVHVKGNGIGGRNQELALSAAIAL 1je0A 55 :ETVSIATHGIGGPSIAIVLEELAML Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68987 Ang G13.C and E17.OE2 other bump:2.32122 Ang G13.O and E17.OE2 other bump:1.75239 Ang G13.C and E17.OE1 other bump:2.69391 Ang R14.CA and E17.OE1 other bump:0.799426 Ang G13.O and E17.OE1 other bump:2.53072 Ang G13.C and E17.CD other bump:1.72679 Ang G13.O and E17.CD other bump:3.27352 Ang G13.CA and E17.CD other bump:1.82962 Ang N9.ND2 and Q16.NE2 other bump:2.44598 Ang N9.ND2 and Q16.CD other bump:3.06467 Ang N9.CG and Q16.CG other bump:2.4116 Ang N9.ND2 and Q16.CG T0187 41 :EGVILCSAGTDGTDGPTDAAGGIV 1je0A 80 :GANVFIRYGTTGALVPYINLGEYI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 3.05985 Ang G3.C and V4.CG1 neighbor-bump: 2.42824 Ang G1.O and E2.CG T0187 65 :DGSTAKTLKAMGE 1je0A 112 :QGGLFYQYLRDNA Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.93936 Ang K10.NZ and E14.O other bump:0.993299 Ang M12.SD and E14.OE2 other bump:2.56013 Ang M12.CE and E14.OE2 other bump:2.19692 Ang M12.CG and E14.OE2 other bump:2.68315 Ang M12.CB and E14.OE1 other bump:1.8416 Ang M12.SD and E14.OE1 other bump:1.22357 Ang M12.CG and E14.OE1 other bump:3.07465 Ang M12.CB and E14.CD other bump:1.39311 Ang M12.SD and E14.CD other bump:1.89926 Ang M12.CG and E14.CD other bump:2.75316 Ang M12.SD and E14.CG T0187 79 :PYQYLKNNDSYNALKKSGALLITG 1je0A 129 :TPDFELTNKLVTSFSKRNLKYYVG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.90851 Ang Y5.CE2 and N9.ND2 other bump:2.96681 Ang Y5.CZ and N9.ND2 other bump:2.65939 Ang Y3.CB and N8.ND2 neighbor-bump: 2.10801 Ang G1.C and P2.CD Number of specific fragments= 6 total=192 Number of alignments=41 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1je0A/T0187-1je0A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1je0A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1je0A/T0187-1je0A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1je0A in template set T0187 4 :PAALIFGGE 1je0A 4 :VHILAKKGE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75635 Ang F7.CB and E10.OE2 other bump:2.60325 Ang F7.CD2 and E10.OE2 neighbor-bump: 1.87783 Ang G1.C and P2.CD self-bump: 1.31042 Ang P2.N and P2.CD self-bump: 2.17502 Ang P2.N and P2.CG T0187 13 :TVVHVKGNGIGGRNQELALSAAIAL 1je0A 55 :ETVSIATHGIGGPSIAIVLEELAML Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68987 Ang G13.C and E17.OE2 other bump:2.32122 Ang G13.O and E17.OE2 other bump:1.75239 Ang G13.C and E17.OE1 other bump:2.69391 Ang R14.CA and E17.OE1 other bump:0.799426 Ang G13.O and E17.OE1 other bump:2.53072 Ang G13.C and E17.CD other bump:1.72679 Ang G13.O and E17.CD other bump:3.27352 Ang G13.CA and E17.CD other bump:1.82962 Ang N9.ND2 and Q16.NE2 other bump:2.44598 Ang N9.ND2 and Q16.CD other bump:3.06467 Ang N9.CG and Q16.CG other bump:2.4116 Ang N9.ND2 and Q16.CG T0187 41 :EGVILCSAGTDGTDGPTDAAGGIV 1je0A 80 :GANVFIRYGTTGALVPYINLGEYI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 3.05985 Ang G3.C and V4.CG1 neighbor-bump: 2.42824 Ang G1.O and E2.CG T0187 65 :DGSTAKTLKAMG 1je0A 112 :QGGLFYQYLRDN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0187 77 :EDPYQYLKNNDSYNALKKSGALLITG 1je0A 127 :ASTPDFELTNKLVTSFSKRNLKYYVG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.96681 Ang Y7.CZ and N11.ND2 other bump:2.90851 Ang Y7.CE2 and N11.ND2 other bump:2.65939 Ang Y5.CB and N10.ND2 other bump:2.29929 Ang E2.O and P4.CD other bump:2.50088 Ang E2.C and P4.CD neighbor-bump: 2.63924 Ang D3.N and P4.CD Number of specific fragments= 5 total=197 Number of alignments=42 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jmxA/T0187-1jmxA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1jmxA read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jmxA/T0187-1jmxA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :K 1jmxA 3 :Q Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 10 :GGE 1jmxA 14 :GCH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 13 :TVV 1jmxA 18 :PEG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 1.62215 Ang V3.O and V4.CG2 neighbor-bump: 2.53803 Ang V3.C and V4.CG2 neighbor-bump: 2.16988 Ang V3.O and V4.CB neighbor-bump: 2.60174 Ang V3.C and V4.CB T0187 16 :HV 1jmxA 23 :TY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 18 :KGN 1jmxA 31 :RKT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 21 :GIGGRNQELALSAAIAL 1jmxA 49 :GLQISDDDRRTLVKYLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 38 :EGIEG 1jmxA 83 :ERRLN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 49 :GTDGTD 1jmxA 88 :TVEQFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 55 :GPTDAA 1jmxA 101 :GRCHSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 61 :GGIVDGSTAKTLK 1jmxA 111 :LQRRPAKEWEHLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 74 :AMG 1jmxA 139 :ARD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 79 :PYQYLKNND 1jmxA 153 :VPDLAKRYP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55378 Ang G1.O and Y5.CD1 T0187 88 :SYNALKKS 1jmxA 166 :AWAEWQKA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.22211 Ang Y3.CD1 and K7.NZ other bump:2.36696 Ang Y3.CE2 and K7.NZ other bump:1.06093 Ang Y3.CE1 and K7.NZ other bump:1.19937 Ang Y3.CZ and K7.NZ other bump:1.81759 Ang Y3.OH and K7.NZ other bump:2.22655 Ang Y3.CE1 and K7.CE other bump:2.50919 Ang Y3.CZ and K7.CE other bump:2.36605 Ang Y3.OH and K7.CE T0187 96 :GALLITG 1jmxA 177 :ADALPGQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.47137 Ang T7.CB and G8.N neighbor-bump: 2.00445 Ang T7.CG2 and G8.N self-bump: 2.2036 Ang T7.CB and T7.C self-bump: 2.42353 Ang T7.CG2 and T7.C self-bump: 1.26222 Ang T7.CA and T7.CB T0187 103 :PTGTNVNDLIIGLIV 1jmxA 191 :LAKGDVRGVMSVTPD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.70111 Ang I15.CG2 and V16.N neighbor-bump: 2.34581 Ang G4.O and T5.CG2 neighbor-bump: 2.93701 Ang G4.C and T5.CG2 neighbor-bump: 2.0644 Ang G4.O and T5.CB neighbor-bump: 2.54843 Ang G4.C and T5.CB Number of specific fragments= 15 total=212 Number of alignments=43 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jmxA/T0187-1jmxA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1jmxA read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jmxA/T0187-1jmxA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :K 1jmxA 3 :Q Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 10 :GGE 1jmxA 14 :GCH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 13 :TVV 1jmxA 18 :PEG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 1.62215 Ang V3.O and V4.CG2 neighbor-bump: 2.53803 Ang V3.C and V4.CG2 neighbor-bump: 2.16988 Ang V3.O and V4.CB neighbor-bump: 2.60174 Ang V3.C and V4.CB T0187 16 :HV 1jmxA 23 :TY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 18 :KGN 1jmxA 31 :RKT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 21 :GIGGR 1jmxA 49 :GLQIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 26 :NQELALSAAIA 1jmxA 56 :DRRTLVKYLAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 38 :EGIEG 1jmxA 83 :ERRLN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 49 :GTDGTD 1jmxA 88 :TVEQFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 55 :GPTDAA 1jmxA 101 :GRCHSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 61 :GGIVDGSTAKTLK 1jmxA 111 :LQRRPAKEWEHLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 75 :MG 1jmxA 140 :RD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 79 :PYQYLKNND 1jmxA 153 :VPDLAKRYP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55378 Ang G1.O and Y5.CD1 T0187 88 :SYNALKKS 1jmxA 166 :AWAEWQKA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.22211 Ang Y3.CD1 and K7.NZ other bump:2.36696 Ang Y3.CE2 and K7.NZ other bump:1.06093 Ang Y3.CE1 and K7.NZ other bump:1.19937 Ang Y3.CZ and K7.NZ other bump:1.81759 Ang Y3.OH and K7.NZ other bump:2.22655 Ang Y3.CE1 and K7.CE other bump:2.50919 Ang Y3.CZ and K7.CE other bump:2.36605 Ang Y3.OH and K7.CE T0187 96 :GALLIT 1jmxA 177 :ADALPG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 1.69086 Ang I6.O and T7.CG2 neighbor-bump: 2.61476 Ang I6.C and T7.CG2 T0187 103 :PTGTNVNDLIIGLI 1jmxA 219 :ADGTPFNGSGSAIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.93666 Ang L10.C and I11.CG2 Number of specific fragments= 16 total=228 Number of alignments=44 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jmxA/T0187-1jmxA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1jmxA read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jmxA/T0187-1jmxA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :K 1jmxA 3 :Q Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 5 :AALIFGGETVVHVKGNGIGGRNQELALSAAIALEGIE 1jmxA 15 :CHIPEGNDTYSRISHQRKTPEGWLMSIARMQVMHGLQ Fragment has 74 clashes (null) has 74 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.92797 Ang I32.CG1 and I37.CG1 other bump:1.90399 Ang I19.CG1 and Q24.OE1 other bump:1.68894 Ang I19.CD1 and Q24.OE1 other bump:2.70615 Ang I19.CG1 and Q24.CD other bump:2.2048 Ang I19.CD1 and Q24.CD other bump:2.75393 Ang I19.CG1 and Q24.CG other bump:2.52349 Ang I19.CD1 and Q24.CG other bump:3.04058 Ang I19.CD1 and Q24.CB other bump:2.53357 Ang I19.CD1 and Q24.CA other bump:2.43518 Ang I19.CD1 and Q24.N other bump:2.89041 Ang I19.CD1 and N23.C other bump:3.02926 Ang I19.CB and N23.CB other bump:1.68062 Ang E9.O and K15.NZ other bump:2.22318 Ang E9.C and K15.NZ other bump:2.39321 Ang T10.N and K15.NZ other bump:2.06712 Ang T10.CA and K15.NZ other bump:2.53049 Ang T10.C and K15.NZ other bump:2.1255 Ang E9.O and K15.CE other bump:2.26942 Ang E9.C and K15.CE other bump:1.88304 Ang T10.N and K15.CE other bump:2.6181 Ang T10.CG2 and K15.CE other bump:2.58361 Ang F6.CZ and K15.CE other bump:1.07653 Ang T10.CA and K15.CE other bump:2.12249 Ang T10.CB and K15.CE other bump:2.29721 Ang T10.C and K15.CE other bump:2.78431 Ang V11.N and K15.CE other bump:2.80791 Ang T10.CG2 and K15.CD other bump:1.78486 Ang F6.CE2 and K15.CD other bump:1.45653 Ang F6.CZ and K15.CD other bump:1.64324 Ang T10.CA and K15.CD other bump:1.86579 Ang T10.CB and K15.CD other bump:2.21593 Ang T10.C and K15.CD other bump:2.194 Ang V11.N and K15.CD other bump:2.74034 Ang F6.CE2 and K15.CG other bump:3.03159 Ang T10.CA and K15.CG other bump:2.84199 Ang V11.N and K15.CG other bump:2.86728 Ang F6.CE2 and K15.CB other bump:2.77834 Ang F6.CZ and K15.CB neighbor-bump: 2.85579 Ang V12.CG1 and H13.CA neighbor-bump: 1.69909 Ang V12.CG1 and H13.N neighbor-bump: 2.41573 Ang V12.CB and H13.N self-bump: 2.31152 Ang V12.CG1 and V12.C self-bump: 2.20424 Ang V12.CB and V12.C self-bump: 1.2963 Ang V12.CA and V12.CB other bump:2.85989 Ang F6.CD2 and V11.C other bump:2.90266 Ang F6.CE2 and V11.C other bump:2.69881 Ang F6.CE2 and V11.O other bump:2.68558 Ang F6.CD2 and V11.CA other bump:2.67855 Ang F6.CE2 and V11.CA other bump:2.36477 Ang F6.CD2 and V11.N other bump:1.74585 Ang F6.CE2 and V11.N other bump:2.79912 Ang F6.CZ and V11.N other bump:3.156 Ang F6.CG and T10.C other bump:2.33772 Ang F6.CD2 and T10.C other bump:1.95282 Ang F6.CE2 and T10.C other bump:2.57108 Ang F6.CZ and T10.C other bump:2.57669 Ang F6.CD2 and T10.O other bump:2.81336 Ang F6.CE2 and T10.O other bump:2.29417 Ang F6.CG and T10.OG1 other bump:1.43334 Ang F6.CD1 and T10.OG1 other bump:1.28975 Ang F6.CE1 and T10.OG1 other bump:2.75543 Ang F6.CE2 and T10.OG1 other bump:2.10812 Ang F6.CZ and T10.OG1 other bump:2.29248 Ang F6.CE1 and T10.CG2 other bump:2.49796 Ang F6.CZ and T10.CG2 other bump:2.45775 Ang F6.CD1 and T10.CB other bump:3.07289 Ang F6.CD2 and T10.CB other bump:1.40528 Ang F6.CE1 and T10.CB other bump:2.32589 Ang F6.CE2 and T10.CB other bump:1.2923 Ang F6.CZ and T10.CB other bump:2.82582 Ang F6.CE1 and T10.CA other bump:2.44284 Ang F6.CE2 and T10.CA other bump:2.16571 Ang F6.CZ and T10.CA neighbor-bump: 2.57413 Ang L4.CD1 and I5.O T0187 48 :AGTDGTDGP 1jmxA 73 :SETDGVRYA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.60902 Ang G9.N and P10.CD other bump:2.20139 Ang T7.O and P10.CD other bump:2.95072 Ang T7.C and P10.CD T0187 63 :IVDGSTAKTLKAMGEDPYQYLKNNDSYNALKKSG 1jmxA 91 :QFDTQLSETCGRCHSGARVALQRRPAKEWEHLVN Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.75393 Ang E16.CD and P18.CD other bump:2.97641 Ang E16.CB and P18.CD other bump:1.78987 Ang E16.CG and P18.CD other bump:2.87473 Ang E16.C and P18.CD neighbor-bump: 2.2606 Ang D17.N and P18.CD other bump:2.11409 Ang E16.CD and P18.CG other bump:1.97795 Ang E16.OE2 and P18.CG other bump:2.11322 Ang E16.CG and P18.CG other bump:2.32237 Ang E16.CD and P18.CB other bump:2.80159 Ang E16.OE1 and P18.CB other bump:2.47676 Ang E16.OE2 and P18.CB other bump:2.7588 Ang E16.CG and P18.CB other bump:2.82713 Ang E16.CG and P18.N other bump:2.41285 Ang K12.CD and D17.C other bump:2.0035 Ang K12.CE and D17.C other bump:2.42178 Ang V3.CG2 and D17.OD2 other bump:2.08999 Ang K12.CG and D17.OD2 other bump:2.47734 Ang K12.CB and D17.OD2 other bump:0.560419 Ang K12.CG and D17.OD1 other bump:1.99906 Ang K12.CD and D17.OD1 other bump:2.53233 Ang K12.CA and D17.OD1 other bump:1.73989 Ang K12.CB and D17.OD1 other bump:1.05085 Ang K12.CG and D17.CG other bump:1.64163 Ang K12.CD and D17.CG other bump:2.05919 Ang K12.CE and D17.CG other bump:2.10916 Ang K12.NZ and D17.CG other bump:2.10981 Ang K12.CB and D17.CG other bump:2.05414 Ang K12.CG and D17.CB other bump:1.12619 Ang K12.CD and D17.CB other bump:0.678861 Ang K12.CE and D17.CB other bump:1.39379 Ang K12.NZ and D17.CB other bump:2.31481 Ang K12.CG and D17.CA other bump:0.947903 Ang K12.CD and D17.CA other bump:1.49353 Ang K12.CE and D17.CA other bump:2.84493 Ang K12.NZ and D17.CA other bump:2.84739 Ang K12.CG and D17.N other bump:1.62717 Ang K12.CD and D17.N other bump:2.71112 Ang K12.CE and D17.N other bump:2.73231 Ang K12.CD and E16.C other bump:1.98977 Ang V3.CG1 and K12.NZ other bump:2.96249 Ang V3.CG2 and K12.NZ T0187 97 :ALLITGPTG 1jmxA 132 :SLEYQAQAR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.10245 Ang L4.C and T9.CG2 other bump:2.65207 Ang L4.CA and T9.CG2 other bump:2.2516 Ang L3.O and T6.OG1 Number of specific fragments= 5 total=233 Number of alignments=45 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jmxA/T0187-1jmxA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1jmxA read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1jmxA/T0187-1jmxA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :K 1jmxA 3 :Q Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :PAALIFGGETVVHVKGNGIGGRNQELALSAAIALEGIE 1jmxA 14 :GCHIPEGNDTYSRISHQRKTPEGWLMSIARMQVMHGLQ Fragment has 84 clashes (null) has 84 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.92797 Ang I33.CG1 and I38.CG1 other bump:1.90399 Ang I20.CG1 and Q25.OE1 other bump:1.68894 Ang I20.CD1 and Q25.OE1 other bump:2.70615 Ang I20.CG1 and Q25.CD other bump:2.2048 Ang I20.CD1 and Q25.CD other bump:2.75393 Ang I20.CG1 and Q25.CG other bump:2.52349 Ang I20.CD1 and Q25.CG other bump:3.04058 Ang I20.CD1 and Q25.CB other bump:2.53357 Ang I20.CD1 and Q25.CA other bump:2.43518 Ang I20.CD1 and Q25.N other bump:2.89041 Ang I20.CD1 and N24.C other bump:3.02926 Ang I20.CB and N24.CB other bump:1.68062 Ang E10.O and K16.NZ other bump:2.22318 Ang E10.C and K16.NZ other bump:2.39321 Ang T11.N and K16.NZ other bump:2.06712 Ang T11.CA and K16.NZ other bump:2.53049 Ang T11.C and K16.NZ other bump:2.1255 Ang E10.O and K16.CE other bump:2.26942 Ang E10.C and K16.CE other bump:1.88304 Ang T11.N and K16.CE other bump:2.6181 Ang T11.CG2 and K16.CE other bump:2.58361 Ang F7.CZ and K16.CE other bump:1.07653 Ang T11.CA and K16.CE other bump:2.12249 Ang T11.CB and K16.CE other bump:2.29721 Ang T11.C and K16.CE other bump:2.78431 Ang V12.N and K16.CE other bump:2.80791 Ang T11.CG2 and K16.CD other bump:1.78486 Ang F7.CE2 and K16.CD other bump:1.45653 Ang F7.CZ and K16.CD other bump:1.64324 Ang T11.CA and K16.CD other bump:1.86579 Ang T11.CB and K16.CD other bump:2.21593 Ang T11.C and K16.CD other bump:2.194 Ang V12.N and K16.CD other bump:2.74034 Ang F7.CE2 and K16.CG other bump:3.03159 Ang T11.CA and K16.CG other bump:2.84199 Ang V12.N and K16.CG other bump:2.86728 Ang F7.CE2 and K16.CB other bump:2.77834 Ang F7.CZ and K16.CB neighbor-bump: 2.85579 Ang V13.CG1 and H14.CA neighbor-bump: 1.69909 Ang V13.CG1 and H14.N neighbor-bump: 2.41573 Ang V13.CB and H14.N self-bump: 2.31152 Ang V13.CG1 and V13.C self-bump: 2.20424 Ang V13.CB and V13.C self-bump: 1.2963 Ang V13.CA and V13.CB other bump:2.85989 Ang F7.CD2 and V12.C other bump:2.90266 Ang F7.CE2 and V12.C other bump:2.69881 Ang F7.CE2 and V12.O other bump:2.68558 Ang F7.CD2 and V12.CA other bump:2.67855 Ang F7.CE2 and V12.CA other bump:2.36477 Ang F7.CD2 and V12.N other bump:1.74585 Ang F7.CE2 and V12.N other bump:2.79912 Ang F7.CZ and V12.N other bump:3.156 Ang F7.CG and T11.C other bump:2.33772 Ang F7.CD2 and T11.C other bump:1.95282 Ang F7.CE2 and T11.C other bump:2.57108 Ang F7.CZ and T11.C other bump:2.57669 Ang F7.CD2 and T11.O other bump:2.81336 Ang F7.CE2 and T11.O other bump:2.29417 Ang F7.CG and T11.OG1 other bump:1.43334 Ang F7.CD1 and T11.OG1 other bump:1.28975 Ang F7.CE1 and T11.OG1 other bump:2.75543 Ang F7.CE2 and T11.OG1 other bump:2.10812 Ang F7.CZ and T11.OG1 other bump:2.29248 Ang F7.CE1 and T11.CG2 other bump:2.49796 Ang F7.CZ and T11.CG2 other bump:2.45775 Ang F7.CD1 and T11.CB other bump:3.07289 Ang F7.CD2 and T11.CB other bump:1.40528 Ang F7.CE1 and T11.CB other bump:2.32589 Ang F7.CE2 and T11.CB other bump:1.2923 Ang F7.CZ and T11.CB other bump:2.82582 Ang F7.CE1 and T11.CA other bump:2.44284 Ang F7.CE2 and T11.CA other bump:2.16571 Ang F7.CZ and T11.CA neighbor-bump: 2.57413 Ang L5.CD1 and I6.O neighbor-bump: 2.70425 Ang P2.CD and A3.N neighbor-bump: 2.1246 Ang P2.CB and A3.N self-bump: 1.33505 Ang P2.N and P2.CD neighbor-bump: 2.15356 Ang G1.O and P2.CD neighbor-bump: 1.10938 Ang G1.C and P2.CD self-bump: 2.02702 Ang P2.N and P2.CG neighbor-bump: 0.872929 Ang G1.O and P2.CG neighbor-bump: 1.00585 Ang G1.C and P2.CG neighbor-bump: 1.5432 Ang G1.O and P2.CB neighbor-bump: 2.00292 Ang G1.C and P2.CB T0187 49 :GTDGTDGPTDAAGGIVDGSTAKTLKAMGE 1jmxA 74 :ETDGVRYAMERRLNTVEQFDTQLSETCGR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.20138 Ang T6.O and P9.CD other bump:2.95072 Ang T6.C and P9.CD neighbor-bump: 2.60902 Ang G8.N and P9.CD T0187 78 :DPYQYLKNNDSYNALKKSG 1jmxA 106 :GARVALQRRPAKEWEHLVN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.87473 Ang G1.C and P3.CD neighbor-bump: 2.2606 Ang D2.N and P3.CD T0187 97 :ALLITGPTGTNVNDLIIGLI 1jmxA 131 :PSLEYQAQARDRDWLPIALQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.28465 Ang V13.CG1 and I18.CD1 neighbor-bump: 2.82477 Ang N12.OD1 and V13.CG2 other bump:2.67444 Ang T6.CA and T11.OG1 other bump:2.18931 Ang T6.O and T11.OG1 other bump:2.2748 Ang T6.C and T11.OG1 Number of specific fragments= 5 total=238 Number of alignments=46 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1ex2A/T0187-1ex2A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1ex2A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1ex2A/T0187-1ex2A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :LKKPAAL 1ex2A 1 :MTKPLIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.5673 Ang K2.CG and K3.N T0187 8 :IFGGETVVHVKGNGIG 1ex2A 66 :VIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.60838 Ang H10.ND1 and N14.C other bump:3.11507 Ang H10.CE1 and N14.C other bump:2.48385 Ang H10.ND1 and N14.O other bump:3.10212 Ang H10.ND1 and N14.CA other bump:2.93438 Ang H10.CE1 and N14.CA other bump:2.58755 Ang H10.ND1 and N14.N other bump:1.883 Ang H10.CE1 and N14.N other bump:2.49167 Ang H10.ND1 and G13.C other bump:1.40134 Ang H10.CE1 and G13.C other bump:2.33254 Ang H10.NE2 and G13.C other bump:2.11022 Ang H10.CE1 and G13.O other bump:3.11139 Ang H10.CD2 and G13.CA other bump:3.11212 Ang H10.ND1 and G13.CA other bump:1.80231 Ang H10.CE1 and G13.CA other bump:1.73611 Ang H10.NE2 and G13.CA other bump:2.93404 Ang H10.CD2 and G13.N other bump:2.18369 Ang H10.CE1 and G13.N other bump:1.81709 Ang H10.NE2 and G13.N T0187 24 :GRNQELALSAAIALEGIE 1ex2A 83 :PQDQEEAASMLRRLSGRS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.58211 Ang A14.O and I18.CD1 T0187 48 :AGTDGTDGPTDAAGGIVDGST 1ex2A 147 :AGAYGIQGRGALFVKKIDGDY Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.41836 Ang D8.CB and D12.OD2 other bump:2.16667 Ang D8.CG and D12.OD2 other bump:2.12606 Ang D8.OD1 and D12.OD2 other bump:2.17802 Ang D8.OD1 and D12.OD1 other bump:1.09944 Ang T7.O and D12.OD1 other bump:2.4972 Ang D8.CA and D12.OD1 other bump:1.86272 Ang T7.C and D12.OD1 other bump:2.99372 Ang D8.CB and D12.CG other bump:2.82366 Ang D8.CG and D12.CG other bump:2.26987 Ang D8.OD1 and D12.CG other bump:2.21134 Ang T7.O and D12.CG other bump:3.03821 Ang D8.CA and D12.CG other bump:3.25843 Ang D8.C and D12.CG other bump:3.09786 Ang T7.C and D12.CG other bump:2.69899 Ang G6.C and T11.CG2 other bump:1.87726 Ang G6.O and T11.CG2 other bump:2.64438 Ang G6.N and T11.CG2 other bump:2.98708 Ang G6.C and T11.CB other bump:1.87461 Ang G6.O and T11.CB other bump:3.06523 Ang G6.N and T11.CB neighbor-bump: 2.37402 Ang D8.CB and G9.N self-bump: 2.14372 Ang D8.CB and D8.C self-bump: 1.24998 Ang D8.CA and D8.CB T0187 72 :LKAMGEDPYQYLKNNDS 1ex2A 168 :YSVMGLPISKTMRALRH Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.77393 Ang Y12.CD1 and N16.ND2 other bump:2.13909 Ang Y12.CE1 and N16.ND2 other bump:2.78591 Ang Y12.CZ and N16.ND2 other bump:2.96137 Ang L2.CB and P9.CD other bump:1.87773 Ang E7.O and P9.CD other bump:2.82893 Ang E7.C and P9.CD other bump:2.03683 Ang K3.CG and D8.OD2 other bump:1.86404 Ang K3.CD and D8.OD2 other bump:1.32902 Ang K3.CE and D8.OD2 other bump:1.17999 Ang K3.NZ and D8.OD2 other bump:2.36092 Ang K3.CA and D8.OD1 other bump:1.50683 Ang K3.CB and D8.OD1 other bump:0.305376 Ang K3.CG and D8.OD1 other bump:1.8193 Ang K3.CD and D8.OD1 other bump:2.60277 Ang K3.CB and D8.CG other bump:1.19488 Ang K3.CG and D8.CG other bump:1.81999 Ang K3.CD and D8.CG other bump:1.94708 Ang K3.CE and D8.CG other bump:2.42048 Ang K3.NZ and D8.CG other bump:2.44692 Ang K3.CG and D8.CB other bump:3.05615 Ang K3.CD and D8.CB other bump:2.78566 Ang K3.CE and D8.CB other bump:3.04598 Ang K3.CG and D8.CA Number of specific fragments= 5 total=243 Number of alignments=47 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1ex2A/T0187-1ex2A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1ex2A read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1ex2A/T0187-1ex2A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :LKKPAAL 1ex2A 1 :MTKPLIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.5673 Ang K2.CG and K3.N T0187 8 :IFGGETVVHVKGNGIG 1ex2A 66 :VIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.60838 Ang H10.ND1 and N14.C other bump:3.11507 Ang H10.CE1 and N14.C other bump:2.48385 Ang H10.ND1 and N14.O other bump:3.10212 Ang H10.ND1 and N14.CA other bump:2.93438 Ang H10.CE1 and N14.CA other bump:2.58755 Ang H10.ND1 and N14.N other bump:1.883 Ang H10.CE1 and N14.N other bump:2.49167 Ang H10.ND1 and G13.C other bump:1.40134 Ang H10.CE1 and G13.C other bump:2.33254 Ang H10.NE2 and G13.C other bump:2.11022 Ang H10.CE1 and G13.O other bump:3.11139 Ang H10.CD2 and G13.CA other bump:3.11212 Ang H10.ND1 and G13.CA other bump:1.80231 Ang H10.CE1 and G13.CA other bump:1.73611 Ang H10.NE2 and G13.CA other bump:2.93404 Ang H10.CD2 and G13.N other bump:2.18369 Ang H10.CE1 and G13.N other bump:1.81709 Ang H10.NE2 and G13.N T0187 24 :GRNQELALSAAIALEGIE 1ex2A 83 :PQDQEEAASMLRRLSGRS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.58211 Ang A14.O and I18.CD1 T0187 48 :AGTDGTDGPTDAAGGIVDGST 1ex2A 147 :AGAYGIQGRGALFVKKIDGDY Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.41836 Ang D8.CB and D12.OD2 other bump:2.16667 Ang D8.CG and D12.OD2 other bump:2.12606 Ang D8.OD1 and D12.OD2 other bump:2.17802 Ang D8.OD1 and D12.OD1 other bump:1.09944 Ang T7.O and D12.OD1 other bump:2.4972 Ang D8.CA and D12.OD1 other bump:1.86272 Ang T7.C and D12.OD1 other bump:2.99372 Ang D8.CB and D12.CG other bump:2.82366 Ang D8.CG and D12.CG other bump:2.26987 Ang D8.OD1 and D12.CG other bump:2.21134 Ang T7.O and D12.CG other bump:3.03821 Ang D8.CA and D12.CG other bump:3.25843 Ang D8.C and D12.CG other bump:3.09786 Ang T7.C and D12.CG other bump:2.69899 Ang G6.C and T11.CG2 other bump:1.87726 Ang G6.O and T11.CG2 other bump:2.64438 Ang G6.N and T11.CG2 other bump:2.98708 Ang G6.C and T11.CB other bump:1.87461 Ang G6.O and T11.CB other bump:3.06523 Ang G6.N and T11.CB neighbor-bump: 2.37402 Ang D8.CB and G9.N self-bump: 2.14372 Ang D8.CB and D8.C self-bump: 1.24998 Ang D8.CA and D8.CB T0187 72 :LKAMGEDPYQYLK 1ex2A 168 :YSVMGLPISKTMR Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.96137 Ang L2.CB and P9.CD other bump:1.87773 Ang E7.O and P9.CD other bump:2.82893 Ang E7.C and P9.CD other bump:1.32902 Ang K3.CE and D8.OD2 other bump:1.17999 Ang K3.NZ and D8.OD2 other bump:2.03683 Ang K3.CG and D8.OD2 other bump:1.86404 Ang K3.CD and D8.OD2 other bump:2.36092 Ang K3.CA and D8.OD1 other bump:1.50683 Ang K3.CB and D8.OD1 other bump:0.305376 Ang K3.CG and D8.OD1 other bump:1.8193 Ang K3.CD and D8.OD1 other bump:1.94708 Ang K3.CE and D8.CG other bump:2.42048 Ang K3.NZ and D8.CG other bump:2.60277 Ang K3.CB and D8.CG other bump:1.19488 Ang K3.CG and D8.CG other bump:1.81999 Ang K3.CD and D8.CG other bump:2.78566 Ang K3.CE and D8.CB other bump:2.44692 Ang K3.CG and D8.CB other bump:3.05615 Ang K3.CD and D8.CB other bump:3.04598 Ang K3.CG and D8.CA T0187 94 :KSGA 1ex2A 181 :ALRH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 6 total=249 Number of alignments=48 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1k3fA/T0187-1k3fA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1k3fA read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1k3fA/T0187-1k3fA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1k3fA in template set T0187 1 :LKKP 1k3fA 1 :MSKS Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues other bump:2.85641 Ang K2.CG and G5.CA other bump:3.13868 Ang K2.CD and G5.CA other bump:2.71756 Ang K2.CE and G5.CA other bump:2.14264 Ang K2.CG and G5.N other bump:2.59863 Ang K2.CD and G5.N other bump:2.15233 Ang K2.CE and G5.N other bump:3.19569 Ang K2.CG and P4.C other bump:2.90651 Ang K2.CE and P4.C neighbor-bump: 2.40239 Ang K3.CA and P4.CD neighbor-bump: 1.65949 Ang K3.O and P4.CD neighbor-bump: 1.34166 Ang K3.C and P4.CD neighbor-bump: 2.74083 Ang K3.C and P4.CG self-bump: 1.37944 Ang P4.CA and P4.CB T0187 5 :AALIFGGE 1k3fA 21 :LAIVPGDP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.93729 Ang F6.CD1 and G8.C other bump:2.78674 Ang F6.CE1 and G8.C other bump:1.74441 Ang F6.CD1 and G8.O other bump:1.63285 Ang F6.CE1 and G8.O T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1k3fA 60 :KPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.1815 Ang L26.O and E27.CG neighbor-bump: 2.72185 Ang L26.C and E27.CG other bump:2.42891 Ang L20.CD1 and I24.CD1 other bump:2.47007 Ang G13.C and E17.OE2 other bump:1.87896 Ang G13.O and E17.OE2 other bump:2.27721 Ang R14.CA and E17.OE1 other bump:2.62749 Ang R14.C and E17.OE1 other bump:2.01238 Ang G13.C and E17.OE1 other bump:1.17016 Ang G13.O and E17.OE1 other bump:3.30163 Ang R14.CA and E17.CD other bump:2.54151 Ang G13.C and E17.CD other bump:1.54275 Ang G13.O and E17.CD other bump:2.1368 Ang N9.ND2 and Q16.NE2 other bump:2.74712 Ang N9.ND2 and Q16.CD T0187 43 :VILCSAGTDGTDGPTDAAGGI 1k3fA 87 :RTFLRIGTTGAIQPHINVGDV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.65457 Ang T12.CG2 and D17.OD2 self-bump: 1.39004 Ang D17.CA and D17.CB T0187 64 :VDGSTAKTLKAMGEDPYQYLKNNDSYNALKKSG 1k3fA 116 :LDGASLHFAPLEFPAVADFECTTALVEAAKSIG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.6349 Ang N24.ND2 and N28.ND2 other bump:2.88778 Ang N23.ND2 and Y27.CE2 other bump:2.32729 Ang E15.O and P17.CD other bump:2.6489 Ang E15.C and P17.CD T0187 97 :ALLITGPTGTNVNDLIIGLI 1k3fA 160 :DTFYPGQERYDTYSGRVVRH Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 2.6645 Ang I18.CG2 and G19.N other bump:2.94216 Ang D15.OD1 and I18.CG2 other bump:2.91059 Ang D15.CB and I18.CG1 other bump:2.62898 Ang D15.CG and I18.CG1 self-bump: 1.36011 Ang I18.CA and I18.CB self-bump: 1.29693 Ang L16.CA and L16.CB self-bump: 2.20063 Ang D15.CB and D15.C self-bump: 1.3352 Ang D15.CA and D15.CB neighbor-bump: 2.50996 Ang N12.O and V13.CG2 self-bump: 1.28484 Ang N12.CA and N12.CB neighbor-bump: 2.09133 Ang G10.O and T11.OG1 other bump:2.66347 Ang T9.CG2 and T11.OG1 neighbor-bump: 2.51206 Ang G10.C and T11.OG1 neighbor-bump: 2.22613 Ang T6.CB and G7.N neighbor-bump: 2.29798 Ang T6.OG1 and G7.N Number of specific fragments= 6 total=255 Number of alignments=49 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1k3fA/T0187-1k3fA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1k3fA read from /projects/compbio/experiments/casp5/t0187/t0187-301-417/1k3fA/T0187-1k3fA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1k3fA in template set T0187 1 :LKK 1k3fA 1 :MSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 5 :AALIFG 1k3fA 21 :LAIVPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1k3fA 60 :KPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.1815 Ang L26.O and E27.CG neighbor-bump: 2.72185 Ang L26.C and E27.CG other bump:2.42891 Ang L20.CD1 and I24.CD1 other bump:2.47007 Ang G13.C and E17.OE2 other bump:1.87896 Ang G13.O and E17.OE2 other bump:2.27721 Ang R14.CA and E17.OE1 other bump:2.62749 Ang R14.C and E17.OE1 other bump:2.01238 Ang G13.C and E17.OE1 other bump:1.17016 Ang G13.O and E17.OE1 other bump:3.30163 Ang R14.CA and E17.CD other bump:2.54151 Ang G13.C and E17.CD other bump:1.54275 Ang G13.O and E17.CD other bump:2.1368 Ang N9.ND2 and Q16.NE2 other bump:2.74712 Ang N9.ND2 and Q16.CD T0187 43 :VILCSAGTDG 1k3fA 87 :RTFLRIGTTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 53 :TDGPTDAAG 1k3fA 116 :LDGASLHFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.55447 Ang G4.N and P5.CD T0187 62 :GIVDGSTAKTL 1k3fA 130 :AVADFECTTAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.86304 Ang V4.CG1 and A9.CB T0187 89 :YNALKKSG 1k3fA 141 :VEAAKSIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 97 :ALLITGPTGTNVND 1k3fA 160 :DTFYPGQERYDTYS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues self-bump: 2.192 Ang D15.CB and D15.C self-bump: 1.28437 Ang D15.CA and D15.CB neighbor-bump: 2.50996 Ang N12.O and V13.CG2 self-bump: 1.28484 Ang N12.CA and N12.CB neighbor-bump: 2.09133 Ang G10.O and T11.OG1 other bump:2.66347 Ang T9.CG2 and T11.OG1 neighbor-bump: 2.51206 Ang G10.C and T11.OG1 neighbor-bump: 2.22613 Ang T6.CB and G7.N neighbor-bump: 2.29798 Ang T6.OG1 and G7.N Number of specific fragments= 8 total=263 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 1je0A/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1je0A-T0187-local-adpstyle1.pw.a2m.gz # 1je0A read from 1je0A-T0187-local-adpstyle1.pw.a2m.gz # found chain 1je0A in template set T0187 15 :VHVKGNGIGGRNQELALSAAIA 1je0A 57 :VSIATHGIGGPSIAIVLEELAM Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.68987 Ang G11.C and E15.OE2 other bump:2.32122 Ang G11.O and E15.OE2 other bump:1.75239 Ang G11.C and E15.OE1 other bump:2.69391 Ang R12.CA and E15.OE1 other bump:0.799426 Ang G11.O and E15.OE1 other bump:2.53072 Ang G11.C and E15.CD other bump:3.27352 Ang G11.CA and E15.CD other bump:1.72679 Ang G11.O and E15.CD other bump:1.82962 Ang N7.ND2 and Q14.NE2 other bump:2.44598 Ang N7.ND2 and Q14.CD other bump:2.4116 Ang N7.ND2 and Q14.CG other bump:3.06467 Ang N7.CG and Q14.CG T0187 38 :EGIEGVI 1je0A 79 :LGANVFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 2 total=265 Number of alignments=51 # Reading fragments from alignment file # T0187 read from 1je0A-T0187-local-adpstyle5.pw.a2m.gz # 1je0A read from 1je0A-T0187-local-adpstyle5.pw.a2m.gz # found chain 1je0A in template set T0187 15 :VHVKGNGIGGRNQELALSAAIA 1je0A 57 :VSIATHGIGGPSIAIVLEELAM Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.68987 Ang G11.C and E15.OE2 other bump:2.32122 Ang G11.O and E15.OE2 other bump:1.75239 Ang G11.C and E15.OE1 other bump:2.69391 Ang R12.CA and E15.OE1 other bump:0.799426 Ang G11.O and E15.OE1 other bump:2.53072 Ang G11.C and E15.CD other bump:3.27352 Ang G11.CA and E15.CD other bump:1.72679 Ang G11.O and E15.CD other bump:1.82962 Ang N7.ND2 and Q14.NE2 other bump:2.44598 Ang N7.ND2 and Q14.CD other bump:2.4116 Ang N7.ND2 and Q14.CG other bump:3.06467 Ang N7.CG and Q14.CG T0187 38 :EGIEGVI 1je0A 79 :LGANVFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 2 total=267 Number of alignments=52 # Reading fragments from alignment file # T0187 read from 1je0A-T0187-vit-adpstyle1.pw.a2m.gz # 1je0A read from 1je0A-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1je0A in template set T0187 15 :VHVKGNGIGGRNQELALSAAIA 1je0A 57 :VSIATHGIGGPSIAIVLEELAM Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.68987 Ang G11.C and E15.OE2 other bump:2.32122 Ang G11.O and E15.OE2 other bump:1.75239 Ang G11.C and E15.OE1 other bump:2.69391 Ang R12.CA and E15.OE1 other bump:0.799426 Ang G11.O and E15.OE1 other bump:2.53072 Ang G11.C and E15.CD other bump:3.27352 Ang G11.CA and E15.CD other bump:1.72679 Ang G11.O and E15.CD other bump:1.82962 Ang N7.ND2 and Q14.NE2 other bump:2.44598 Ang N7.ND2 and Q14.CD other bump:2.4116 Ang N7.ND2 and Q14.CG other bump:3.06467 Ang N7.CG and Q14.CG T0187 38 :EGIEGVI 1je0A 79 :LGANVFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 2 total=269 Number of alignments=53 # Reading fragments from alignment file # T0187 read from 1je0A-T0187-vit-adpstyle5.pw.a2m.gz # 1je0A read from 1je0A-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1je0A in template set T0187 15 :VHVKGNGIGGRNQELALSAAIA 1je0A 57 :VSIATHGIGGPSIAIVLEELAM Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.68987 Ang G11.C and E15.OE2 other bump:2.32122 Ang G11.O and E15.OE2 other bump:1.75239 Ang G11.C and E15.OE1 other bump:2.69391 Ang R12.CA and E15.OE1 other bump:0.799426 Ang G11.O and E15.OE1 other bump:2.53072 Ang G11.C and E15.CD other bump:3.27352 Ang G11.CA and E15.CD other bump:1.72679 Ang G11.O and E15.CD other bump:1.82962 Ang N7.ND2 and Q14.NE2 other bump:2.44598 Ang N7.ND2 and Q14.CD other bump:2.4116 Ang N7.ND2 and Q14.CG other bump:3.06467 Ang N7.CG and Q14.CG T0187 38 :EGIEGVI 1je0A 79 :LGANVFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 2 total=271 Number of alignments=54 # Reading fragments from alignment file # T0187 read from T0187-1je0A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1je0A read from T0187-1je0A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1je0A in template set T0187 4 :PAALIFG 1je0A 15 :ERVLVVG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:3.08401 Ang L5.CG and F7.CE2 T0187 11 :GETVVHVKGNGIGGRNQELALSAAIAL 1je0A 53 :NGETVSIATHGIGGPSIAIVLEELAML Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.68987 Ang G15.C and E19.OE2 other bump:2.32122 Ang G15.O and E19.OE2 other bump:1.75239 Ang G15.C and E19.OE1 other bump:2.69391 Ang R16.CA and E19.OE1 other bump:0.799426 Ang G15.O and E19.OE1 other bump:2.53072 Ang G15.C and E19.CD other bump:1.72679 Ang G15.O and E19.CD other bump:3.27352 Ang G15.CA and E19.CD other bump:1.82962 Ang N11.ND2 and Q18.NE2 other bump:2.44598 Ang N11.ND2 and Q18.CD other bump:3.06467 Ang N11.CG and Q18.CG other bump:2.4116 Ang N11.ND2 and Q18.CG T0187 41 :EGVILCSAGTDGTDGPTDAAG 1je0A 80 :GANVFIRYGTTGALVPYINLG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 3.05985 Ang G3.C and V4.CG1 neighbor-bump: 2.42824 Ang G1.O and E2.CG T0187 62 :GIVDGSTAKTLK 1je0A 109 :SYNQGGLFYQYL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 2.90872 Ang G2.C and I3.CG2 neighbor-bump: 2.41799 Ang G2.O and I3.CG2 T0187 74 :AMGEDPYQYLKNNDSYNALKKSGALLITG 1je0A 124 :ACVASTPDFELTNKLVTSFSKRNLKYYVG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.90851 Ang Y10.CE2 and N14.ND2 other bump:2.96681 Ang Y10.CZ and N14.ND2 other bump:2.65939 Ang Y8.CB and N13.ND2 other bump:2.50088 Ang E5.C and P7.CD neighbor-bump: 2.63923 Ang D6.N and P7.CD other bump:2.29928 Ang E5.O and P7.CD T0187 107 :NVNDLIIGLIV 1je0A 153 :NVFSSDAFYAE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.8171 Ang I8.CG2 and I11.CD1 other bump:2.73531 Ang I8.CB and I11.CG1 other bump:2.40503 Ang I8.CG2 and I11.CG1 neighbor-bump: 2.50396 Ang G9.O and L10.CD1 neighbor-bump: 2.55429 Ang G9.O and L10.CG other bump:2.27644 Ang N4.OD1 and L6.CD2 Number of specific fragments= 6 total=277 Number of alignments=55 # Reading fragments from alignment file # T0187 read from T0187-1je0A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1je0A read from T0187-1je0A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1je0A in template set T0187 5 :AALIFG 1je0A 16 :RVLVVG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:3.08401 Ang L4.CG and F6.CE2 T0187 13 :TVVHVKGNGIGGRNQELALSAAIALE 1je0A 55 :ETVSIATHGIGGPSIAIVLEELAMLG Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues neighbor-bump: 2.42825 Ang L26.O and E27.CG other bump:2.68987 Ang G13.C and E17.OE2 other bump:2.32122 Ang G13.O and E17.OE2 other bump:2.69391 Ang R14.CA and E17.OE1 other bump:1.75239 Ang G13.C and E17.OE1 other bump:0.799426 Ang G13.O and E17.OE1 other bump:2.53072 Ang G13.C and E17.CD other bump:1.72679 Ang G13.O and E17.CD other bump:3.27352 Ang G13.CA and E17.CD other bump:1.82962 Ang N9.ND2 and Q16.NE2 other bump:2.44598 Ang N9.ND2 and Q16.CD other bump:3.06467 Ang N9.CG and Q16.CG other bump:2.4116 Ang N9.ND2 and Q16.CG T0187 42 :GVILCSAGTDGTDGPTD 1je0A 81 :ANVFIRYGTTGALVPYI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues neighbor-bump: 3.05985 Ang G2.C and V3.CG1 T0187 59 :AAGGIVDGSTAKTLKAMGED 1je0A 105 :VTGASYNQGGLFYQYLRDNA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.60721 Ang V7.CB and K13.NZ other bump:1.53091 Ang V7.CG1 and K13.NZ other bump:2.87811 Ang V7.CG2 and K13.NZ other bump:2.91265 Ang V7.CG1 and K13.CE self-bump: 1.3946 Ang T11.CA and T11.CB neighbor-bump: 2.09021 Ang G9.O and S10.CB neighbor-bump: 2.52698 Ang G9.C and S10.CB T0187 79 :PYQYLKNNDSYNALKKSG 1je0A 129 :TPDFELTNKLVTSFSKRN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90851 Ang Y5.CE2 and N9.ND2 other bump:2.96681 Ang Y5.CZ and N9.ND2 other bump:2.65939 Ang Y3.CB and N8.ND2 neighbor-bump: 2.10801 Ang G1.C and P2.CD T0187 109 :NDLIIGLI 1je0A 148 :KYYVGNVF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 1.98888 Ang I5.O and I6.CG2 neighbor-bump: 2.68347 Ang I5.C and I6.CG2 Number of specific fragments= 6 total=283 Number of alignments=56 # Reading fragments from alignment file # T0187 read from T0187-1je0A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1je0A read from T0187-1je0A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1je0A in template set T0187 14 :VVHVKGNGIGGRNQELALSAAIAL 1je0A 56 :TVSIATHGIGGPSIAIVLEELAML Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.68987 Ang G12.C and E16.OE2 other bump:2.32122 Ang G12.O and E16.OE2 other bump:1.75239 Ang G12.C and E16.OE1 other bump:2.69391 Ang R13.CA and E16.OE1 other bump:0.799426 Ang G12.O and E16.OE1 other bump:2.53072 Ang G12.C and E16.CD other bump:1.72679 Ang G12.O and E16.CD other bump:3.27352 Ang G12.CA and E16.CD other bump:1.82962 Ang N8.ND2 and Q15.NE2 other bump:2.44598 Ang N8.ND2 and Q15.CD other bump:3.06467 Ang N8.CG and Q15.CG other bump:2.4116 Ang N8.ND2 and Q15.CG T0187 41 :EGVILCSAGTDG 1je0A 80 :GANVFIRYGTTG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 3.05985 Ang G3.C and V4.CG1 neighbor-bump: 2.42824 Ang G1.O and E2.CG Number of specific fragments= 2 total=285 Number of alignments=57 # Reading fragments from alignment file # T0187 read from T0187-1je0A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1je0A read from T0187-1je0A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1je0A in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIALE 1je0A 55 :ETVSIATHGIGGPSIAIVLEELAMLG Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues neighbor-bump: 2.42825 Ang L26.O and E27.CG other bump:2.68987 Ang G13.C and E17.OE2 other bump:2.32122 Ang G13.O and E17.OE2 other bump:2.69391 Ang R14.CA and E17.OE1 other bump:1.75239 Ang G13.C and E17.OE1 other bump:0.799426 Ang G13.O and E17.OE1 other bump:2.53072 Ang G13.C and E17.CD other bump:1.72679 Ang G13.O and E17.CD other bump:3.27352 Ang G13.CA and E17.CD other bump:1.82962 Ang N9.ND2 and Q16.NE2 other bump:2.44598 Ang N9.ND2 and Q16.CD other bump:3.06467 Ang N9.CG and Q16.CG other bump:2.4116 Ang N9.ND2 and Q16.CG T0187 42 :GVILCSAGTDG 1je0A 81 :ANVFIRYGTTG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 3.05985 Ang G2.C and V3.CG1 Number of specific fragments= 2 total=287 Number of alignments=58 # Reading fragments from alignment file # T0187 read from T0187-1je0A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1je0A read from T0187-1je0A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1je0A in template set T0187 4 :PAALIFG 1je0A 15 :ERVLVVG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:3.08401 Ang L5.CG and F7.CE2 T0187 11 :GETVVHVKGNGIGGRNQELALSAAIALEG 1je0A 53 :NGETVSIATHGIGGPSIAIVLEELAMLGA Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues neighbor-bump: 2.42821 Ang L28.O and E29.CG other bump:2.68987 Ang G15.C and E19.OE2 other bump:2.32122 Ang G15.O and E19.OE2 other bump:2.69391 Ang R16.CA and E19.OE1 other bump:1.75239 Ang G15.C and E19.OE1 other bump:0.799426 Ang G15.O and E19.OE1 other bump:2.53072 Ang G15.C and E19.CD other bump:1.72679 Ang G15.O and E19.CD other bump:3.27352 Ang G15.CA and E19.CD other bump:1.82962 Ang N11.ND2 and Q18.NE2 other bump:2.44598 Ang N11.ND2 and Q18.CD other bump:3.06467 Ang N11.CG and Q18.CG other bump:2.4116 Ang N11.ND2 and Q18.CG T0187 43 :VILCSAGTDGTDGPTDAAGGIV 1je0A 82 :NVFIRYGTTGALVPYINLGEYI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 3.05984 Ang G1.C and V2.CG1 T0187 65 :DGSTAKTLK 1je0A 112 :QGGLFYQYL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 74 :AMGEDPYQYLKNNDSYNALKKSGALLITGPTGTN 1je0A 124 :ACVASTPDFELTNKLVTSFSKRNLKYYVGNVFSS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.90851 Ang Y10.CE2 and N14.ND2 other bump:2.96681 Ang Y10.CZ and N14.ND2 other bump:2.65939 Ang Y8.CB and N13.ND2 other bump:2.29928 Ang E5.O and P7.CD other bump:2.50088 Ang E5.C and P7.CD neighbor-bump: 2.63923 Ang D6.N and P7.CD Number of specific fragments= 5 total=292 Number of alignments=59 # Reading fragments from alignment file # T0187 read from T0187-1je0A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1je0A read from T0187-1je0A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1je0A in template set T0187 5 :AALIFG 1je0A 16 :RVLVVG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:3.08401 Ang L4.CG and F6.CE2 T0187 12 :ETVVHVKGNGIGGRNQELALSAAIALEG 1je0A 54 :GETVSIATHGIGGPSIAIVLEELAMLGA Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues neighbor-bump: 2.42821 Ang L27.O and E28.CG other bump:2.68987 Ang G14.C and E18.OE2 other bump:2.32122 Ang G14.O and E18.OE2 other bump:2.69391 Ang R15.CA and E18.OE1 other bump:1.75239 Ang G14.C and E18.OE1 other bump:0.799426 Ang G14.O and E18.OE1 other bump:2.53072 Ang G14.C and E18.CD other bump:1.72679 Ang G14.O and E18.CD other bump:3.27352 Ang G14.CA and E18.CD other bump:1.82962 Ang N10.ND2 and Q17.NE2 other bump:2.44598 Ang N10.ND2 and Q17.CD other bump:3.06467 Ang N10.CG and Q17.CG other bump:2.4116 Ang N10.ND2 and Q17.CG T0187 43 :VILCSAGTDGTDGPTDAAGGIV 1je0A 82 :NVFIRYGTTGALVPYINLGEYI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 3.05984 Ang G1.C and V2.CG1 T0187 65 :DGSTAKTLKAMGE 1je0A 111 :NQGGLFYQYLRDN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.3946 Ang T5.CA and T5.CB neighbor-bump: 2.09021 Ang G3.O and S4.CB neighbor-bump: 2.52698 Ang G3.C and S4.CB T0187 78 :DPYQYLKNNDSYNALKKSGALLITGPTGT 1je0A 128 :STPDFELTNKLVTSFSKRNLKYYVGNVFS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.96681 Ang Y6.CZ and N10.ND2 other bump:2.90851 Ang Y6.CE2 and N10.ND2 other bump:2.65939 Ang Y4.CB and N9.ND2 other bump:2.2993 Ang G1.O and P3.CD other bump:2.50089 Ang G1.C and P3.CD neighbor-bump: 2.63924 Ang D2.N and P3.CD Number of specific fragments= 5 total=297 Number of alignments=60 # Reading fragments from alignment file # T0187 read from T0187-1je0A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1je0A read from T0187-1je0A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1je0A in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1je0A 55 :ETVSIATHGIGGPSIAIVLEELAMLGA Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.42821 Ang L26.O and E27.CG other bump:2.68987 Ang G13.C and E17.OE2 other bump:2.32122 Ang G13.O and E17.OE2 other bump:2.69391 Ang R14.CA and E17.OE1 other bump:1.75239 Ang G13.C and E17.OE1 other bump:0.799426 Ang G13.O and E17.OE1 other bump:2.53072 Ang G13.C and E17.CD other bump:1.72679 Ang G13.O and E17.CD other bump:3.27352 Ang G13.CA and E17.CD other bump:1.82962 Ang N9.ND2 and Q16.NE2 other bump:2.44598 Ang N9.ND2 and Q16.CD other bump:3.06467 Ang N9.CG and Q16.CG other bump:2.4116 Ang N9.ND2 and Q16.CG T0187 43 :VILCSAGTDG 1je0A 82 :NVFIRYGTTG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 3.05984 Ang G1.C and V2.CG1 Number of specific fragments= 2 total=299 Number of alignments=61 # Reading fragments from alignment file # T0187 read from T0187-1je0A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1je0A read from T0187-1je0A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1je0A in template set T0187 10 :GG 1je0A 53 :NG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1je0A 55 :ETVSIATHGIGGPSIAIVLEELAMLGA Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.42821 Ang L26.O and E27.CG other bump:2.68987 Ang G13.C and E17.OE2 other bump:2.32122 Ang G13.O and E17.OE2 other bump:2.69391 Ang R14.CA and E17.OE1 other bump:1.75239 Ang G13.C and E17.OE1 other bump:0.799426 Ang G13.O and E17.OE1 other bump:2.53072 Ang G13.C and E17.CD other bump:1.72679 Ang G13.O and E17.CD other bump:3.27352 Ang G13.CA and E17.CD other bump:1.82962 Ang N9.ND2 and Q16.NE2 other bump:2.44598 Ang N9.ND2 and Q16.CD other bump:3.06467 Ang N9.CG and Q16.CG other bump:2.4116 Ang N9.ND2 and Q16.CG T0187 43 :VILCSAGTDGTD 1je0A 82 :NVFIRYGTTGAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 3.05984 Ang G1.C and V2.CG1 Number of specific fragments= 3 total=302 Number of alignments=62 # Reading fragments from alignment file # T0187 read from T0187-1je0A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1je0A read from T0187-1je0A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1je0A in template set T0187 4 :PAALIFGGE 1je0A 4 :VHILAKKGE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75635 Ang F7.CB and E10.OE2 other bump:2.60325 Ang F7.CD2 and E10.OE2 neighbor-bump: 1.87783 Ang G1.C and P2.CD self-bump: 1.31042 Ang P2.N and P2.CD self-bump: 2.17502 Ang P2.N and P2.CG T0187 13 :TVVHVKGNGIGGRNQELALSAAIAL 1je0A 55 :ETVSIATHGIGGPSIAIVLEELAML Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68987 Ang G13.C and E17.OE2 other bump:2.32122 Ang G13.O and E17.OE2 other bump:1.75239 Ang G13.C and E17.OE1 other bump:2.69391 Ang R14.CA and E17.OE1 other bump:0.799426 Ang G13.O and E17.OE1 other bump:2.53072 Ang G13.C and E17.CD other bump:1.72679 Ang G13.O and E17.CD other bump:3.27352 Ang G13.CA and E17.CD other bump:1.82962 Ang N9.ND2 and Q16.NE2 other bump:2.44598 Ang N9.ND2 and Q16.CD other bump:3.06467 Ang N9.CG and Q16.CG other bump:2.4116 Ang N9.ND2 and Q16.CG T0187 41 :EGVILCSAGTDGTDGPTDAAGGIV 1je0A 80 :GANVFIRYGTTGALVPYINLGEYI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 3.05985 Ang G3.C and V4.CG1 neighbor-bump: 2.42824 Ang G1.O and E2.CG T0187 65 :DGSTAKTLKAMG 1je0A 112 :QGGLFYQYLRDN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0187 77 :EDPYQYLKNNDSYNALKKSGALLITG 1je0A 127 :ASTPDFELTNKLVTSFSKRNLKYYVG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.96681 Ang Y7.CZ and N11.ND2 other bump:2.90851 Ang Y7.CE2 and N11.ND2 other bump:2.65939 Ang Y5.CB and N10.ND2 other bump:2.29929 Ang E2.O and P4.CD other bump:2.50088 Ang E2.C and P4.CD neighbor-bump: 2.63924 Ang D3.N and P4.CD Number of specific fragments= 5 total=307 Number of alignments=63 # Reading fragments from alignment file # T0187 read from T0187-1je0A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1je0A read from T0187-1je0A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1je0A in template set T0187 4 :P 1je0A 4 :V Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 5 :AALIFG 1je0A 16 :RVLVVG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:3.08401 Ang L4.CG and F6.CE2 T0187 13 :TVVHVKGNGIGGRNQELALSAAIAL 1je0A 55 :ETVSIATHGIGGPSIAIVLEELAML Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68987 Ang G13.C and E17.OE2 other bump:2.32122 Ang G13.O and E17.OE2 other bump:1.75239 Ang G13.C and E17.OE1 other bump:2.69391 Ang R14.CA and E17.OE1 other bump:0.799426 Ang G13.O and E17.OE1 other bump:2.53072 Ang G13.C and E17.CD other bump:1.72679 Ang G13.O and E17.CD other bump:3.27352 Ang G13.CA and E17.CD other bump:1.82962 Ang N9.ND2 and Q16.NE2 other bump:2.44598 Ang N9.ND2 and Q16.CD other bump:3.06467 Ang N9.CG and Q16.CG other bump:2.4116 Ang N9.ND2 and Q16.CG T0187 41 :EGVILCSAGTDGTDGPTDAAGGIV 1je0A 80 :GANVFIRYGTTGALVPYINLGEYI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 3.05985 Ang G3.C and V4.CG1 neighbor-bump: 2.42824 Ang G1.O and E2.CG T0187 65 :DGSTAKTLKAMGE 1je0A 112 :QGGLFYQYLRDNA Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.93936 Ang K10.NZ and E14.O other bump:0.993299 Ang M12.SD and E14.OE2 other bump:2.56013 Ang M12.CE and E14.OE2 other bump:2.19692 Ang M12.CG and E14.OE2 other bump:2.68315 Ang M12.CB and E14.OE1 other bump:1.8416 Ang M12.SD and E14.OE1 other bump:1.22357 Ang M12.CG and E14.OE1 other bump:3.07465 Ang M12.CB and E14.CD other bump:1.39311 Ang M12.SD and E14.CD other bump:1.89926 Ang M12.CG and E14.CD other bump:2.75316 Ang M12.SD and E14.CG T0187 79 :PYQYLKNNDSYNALKKSGALLITG 1je0A 129 :TPDFELTNKLVTSFSKRNLKYYVG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.90851 Ang Y5.CE2 and N9.ND2 other bump:2.96681 Ang Y5.CZ and N9.ND2 other bump:2.65939 Ang Y3.CB and N8.ND2 neighbor-bump: 2.10801 Ang G1.C and P2.CD Number of specific fragments= 6 total=313 Number of alignments=64 # Reading fragments from alignment file # T0187 read from T0187-1je0A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1je0A read from T0187-1je0A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1je0A in template set T0187 4 :P 1je0A 4 :V Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 5 :AALIFGG 1je0A 16 :RVLVVGD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:3.08401 Ang L4.CG and F6.CE2 T0187 12 :ETV 1je0A 37 :KLT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 15 :VHVKGNGIGGRNQELALSAA 1je0A 57 :VSIATHGIGGPSIAIVLEEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.68987 Ang G11.C and E15.OE2 other bump:2.32122 Ang G11.O and E15.OE2 other bump:1.75239 Ang G11.C and E15.OE1 other bump:2.69391 Ang R12.CA and E15.OE1 other bump:0.799426 Ang G11.O and E15.OE1 other bump:2.53072 Ang G11.C and E15.CD other bump:3.27352 Ang G11.CA and E15.CD other bump:1.72679 Ang G11.O and E15.CD other bump:1.82962 Ang N7.ND2 and Q14.NE2 other bump:2.44598 Ang N7.ND2 and Q14.CD other bump:2.4116 Ang N7.ND2 and Q14.CG other bump:3.06467 Ang N7.CG and Q14.CG T0187 36 :ALEGIE 1je0A 77 :AMLGAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 44 :ILCSAGTDGTDGPTDAAG 1je0A 83 :VFIRYGTTGALVPYINLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 62 :GIVD 1je0A 124 :ACVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 66 :GSTAKTLKAMGED 1je0A 136 :NKLVTSFSKRNLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 79 :PYQYLKNN 1je0A 167 :FVKKWSSR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 87 :DSYNALKKSGALLIT 1je0A 185 :TLFTLSKVKGWKSAT Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.83558 Ang Y4.OH and T16.CB other bump:1.89958 Ang L7.CG and L14.CD2 other bump:1.13917 Ang L7.CD1 and L14.CD2 other bump:1.71238 Ang L7.CB and L14.CD1 other bump:1.63235 Ang L7.CG and L14.CD1 other bump:2.18646 Ang L7.CD2 and L14.CD1 other bump:1.61311 Ang L7.CD1 and L14.CD1 other bump:2.97632 Ang L7.CB and L14.CG other bump:2.06372 Ang L7.CG and L14.CG other bump:2.51306 Ang L7.CD2 and L14.CG other bump:0.939413 Ang L7.CD1 and L14.CG other bump:1.84977 Ang L7.CD1 and L14.CB other bump:2.85495 Ang L7.CD2 and A12.CB T0187 113 :IGLI 1je0A 200 :VLVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 11 total=324 Number of alignments=65 # Reading fragments from alignment file # T0187 read from T0187-1je0A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1je0A read from T0187-1je0A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1je0A in template set T0187 4 :P 1je0A 4 :V Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 5 :AALIFG 1je0A 16 :RVLVVG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:3.08401 Ang L4.CG and F6.CE2 T0187 12 :ETV 1je0A 37 :KLT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 16 :HVKGN 1je0A 49 :TGKYN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 21 :GIGGRNQELALSA 1je0A 63 :GIGGPSIAIVLEE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.68987 Ang G5.C and E9.OE2 other bump:2.32122 Ang G5.O and E9.OE2 other bump:1.75239 Ang G5.C and E9.OE1 other bump:2.69391 Ang R6.CA and E9.OE1 other bump:0.799426 Ang G5.O and E9.OE1 other bump:2.53072 Ang G5.C and E9.CD other bump:1.72679 Ang G5.O and E9.CD other bump:3.27352 Ang G5.CA and E9.CD T0187 35 :IALEGIE 1je0A 76 :LAMLGAN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.54319 Ang I2.CB and I7.CD1 other bump:1.09406 Ang I2.CG2 and I7.CD1 other bump:2.18601 Ang I2.CG2 and I7.CG1 other bump:2.70506 Ang I2.CG2 and I7.CB T0187 44 :ILCSAGTD 1je0A 83 :VFIRYGTT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 54 :DGPTDAAGGI 1je0A 93 :LVPYINLGEY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 64 :VD 1je0A 126 :VA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 66 :GSTAKTLKAMGED 1je0A 136 :NKLVTSFSKRNLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 79 :PYQYLKNN 1je0A 167 :FVKKWSSR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 87 :DSYNALKKSGALLITG 1je0A 184 :ATLFTLSKVKGWKSAT Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:0.90274 Ang K8.CG and I15.CD1 other bump:2.60966 Ang Y4.O and I15.CD1 other bump:2.04474 Ang K8.CE and I15.CD1 other bump:1.87758 Ang K8.CB and I15.CD1 other bump:0.815395 Ang K8.CD and I15.CD1 other bump:1.99855 Ang Y4.CD2 and I15.CG2 other bump:2.4459 Ang Y4.CZ and I15.CG2 other bump:2.47923 Ang K8.CE and I15.CG2 other bump:2.5825 Ang K8.CD and I15.CG2 other bump:1.50739 Ang Y4.CE2 and I15.CG2 other bump:1.43098 Ang K8.NZ and I15.CG2 other bump:2.07121 Ang K8.CG and I15.CG1 other bump:1.7681 Ang K8.CE and I15.CG1 other bump:2.90264 Ang K8.CB and I15.CG1 other bump:0.78933 Ang K8.CD and I15.CG1 other bump:2.45215 Ang K8.NZ and I15.CG1 other bump:2.55839 Ang K8.CE and I15.CB other bump:1.9057 Ang K8.CD and I15.CB other bump:2.82973 Ang Y4.CE2 and I15.CB other bump:2.27221 Ang K8.NZ and I15.CB other bump:3.25176 Ang K8.CD and I15.CA neighbor-bump: 2.09164 Ang G11.O and A12.CB neighbor-bump: 2.39137 Ang G11.C and A12.CB other bump:2.54332 Ang Y4.CD1 and K8.NZ other bump:1.90266 Ang Y4.CD2 and K8.NZ other bump:1.98019 Ang Y4.CE1 and K8.NZ other bump:1.10564 Ang Y4.CZ and K8.NZ other bump:1.00578 Ang Y4.CE2 and K8.NZ other bump:2.12685 Ang Y4.OH and K8.NZ other bump:2.82165 Ang Y4.CG and K8.CE other bump:2.37238 Ang Y4.CD1 and K8.CE other bump:2.85473 Ang Y4.CD2 and K8.CE other bump:1.90082 Ang Y4.CE1 and K8.CE other bump:1.97466 Ang Y4.CZ and K8.CE other bump:2.46999 Ang Y4.CE2 and K8.CE T0187 113 :IGLI 1je0A 200 :VLVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 13 total=337 Number of alignments=66 # Reading fragments from alignment file # T0187 read from T0187-1je0A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1je0A read from T0187-1je0A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1je0A in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIAL 1je0A 55 :ETVSIATHGIGGPSIAIVLEELAML Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68987 Ang G13.C and E17.OE2 other bump:2.32122 Ang G13.O and E17.OE2 other bump:1.75239 Ang G13.C and E17.OE1 other bump:2.69391 Ang R14.CA and E17.OE1 other bump:0.799426 Ang G13.O and E17.OE1 other bump:2.53072 Ang G13.C and E17.CD other bump:1.72679 Ang G13.O and E17.CD other bump:3.27352 Ang G13.CA and E17.CD other bump:1.82962 Ang N9.ND2 and Q16.NE2 other bump:2.44598 Ang N9.ND2 and Q16.CD other bump:3.06467 Ang N9.CG and Q16.CG other bump:2.4116 Ang N9.ND2 and Q16.CG T0187 41 :EGVILCSAGTDG 1je0A 80 :GANVFIRYGTTG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 3.05985 Ang G3.C and V4.CG1 neighbor-bump: 2.42824 Ang G1.O and E2.CG Number of specific fragments= 2 total=339 Number of alignments=67 # Reading fragments from alignment file # T0187 read from T0187-1je0A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1je0A read from T0187-1je0A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1je0A in template set T0187 10 :GGE 1je0A 53 :NGE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 14 :VVHVKGNGIGGRNQELALSAAIAL 1je0A 56 :TVSIATHGIGGPSIAIVLEELAML Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.68987 Ang G12.C and E16.OE2 other bump:2.32122 Ang G12.O and E16.OE2 other bump:1.75239 Ang G12.C and E16.OE1 other bump:2.69391 Ang R13.CA and E16.OE1 other bump:0.799426 Ang G12.O and E16.OE1 other bump:2.53072 Ang G12.C and E16.CD other bump:1.72679 Ang G12.O and E16.CD other bump:3.27352 Ang G12.CA and E16.CD other bump:1.82962 Ang N8.ND2 and Q15.NE2 other bump:2.44598 Ang N8.ND2 and Q15.CD other bump:3.06467 Ang N8.CG and Q15.CG other bump:2.4116 Ang N8.ND2 and Q15.CG T0187 41 :EGVILCSAGTDG 1je0A 80 :GANVFIRYGTTG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 3.05985 Ang G3.C and V4.CG1 neighbor-bump: 2.42824 Ang G1.O and E2.CG Number of specific fragments= 3 total=342 Number of alignments=68 # Reading fragments from alignment file # T0187 read from T0187-1je0A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1je0A read from T0187-1je0A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1je0A in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIAL 1je0A 55 :ETVSIATHGIGGPSIAIVLEELAML Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68987 Ang G13.C and E17.OE2 other bump:2.32122 Ang G13.O and E17.OE2 other bump:1.75239 Ang G13.C and E17.OE1 other bump:2.69391 Ang R14.CA and E17.OE1 other bump:0.799426 Ang G13.O and E17.OE1 other bump:2.53072 Ang G13.C and E17.CD other bump:1.72679 Ang G13.O and E17.CD other bump:3.27352 Ang G13.CA and E17.CD other bump:1.82962 Ang N9.ND2 and Q16.NE2 other bump:2.44598 Ang N9.ND2 and Q16.CD other bump:3.06467 Ang N9.CG and Q16.CG other bump:2.4116 Ang N9.ND2 and Q16.CG T0187 41 :EGVILCSAGTDG 1je0A 80 :GANVFIRYGTTG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 3.05985 Ang G3.C and V4.CG1 neighbor-bump: 2.42824 Ang G1.O and E2.CG Number of specific fragments= 2 total=344 Number of alignments=69 # Reading fragments from alignment file # T0187 read from T0187-1je0A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1je0A read from T0187-1je0A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1je0A in template set T0187 10 :GGE 1je0A 53 :NGE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 14 :VVHVKGNGIGGRNQELALSAAIAL 1je0A 56 :TVSIATHGIGGPSIAIVLEELAML Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.68987 Ang G12.C and E16.OE2 other bump:2.32122 Ang G12.O and E16.OE2 other bump:1.75239 Ang G12.C and E16.OE1 other bump:2.69391 Ang R13.CA and E16.OE1 other bump:0.799426 Ang G12.O and E16.OE1 other bump:2.53072 Ang G12.C and E16.CD other bump:1.72679 Ang G12.O and E16.CD other bump:3.27352 Ang G12.CA and E16.CD other bump:1.82962 Ang N8.ND2 and Q15.NE2 other bump:2.44598 Ang N8.ND2 and Q15.CD other bump:3.06467 Ang N8.CG and Q15.CG other bump:2.4116 Ang N8.ND2 and Q15.CG T0187 41 :EGVILCSAGTDG 1je0A 80 :GANVFIRYGTTG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 3.05985 Ang G3.C and V4.CG1 neighbor-bump: 2.42824 Ang G1.O and E2.CG Number of specific fragments= 3 total=347 Number of alignments=70 # Reading fragments from alignment file # T0187 read from T0187-1je0A-local-adpstyle1.pw.a2m.gz # 1je0A read from T0187-1je0A-local-adpstyle1.pw.a2m.gz # found chain 1je0A in template set T0187 14 :VVHVKGNGIGGRNQELALSAAIAL 1je0A 56 :TVSIATHGIGGPSIAIVLEELAML Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.68987 Ang G12.C and E16.OE2 other bump:2.32122 Ang G12.O and E16.OE2 other bump:1.75239 Ang G12.C and E16.OE1 other bump:2.69391 Ang R13.CA and E16.OE1 other bump:0.799426 Ang G12.O and E16.OE1 other bump:2.53072 Ang G12.C and E16.CD other bump:1.72679 Ang G12.O and E16.CD other bump:3.27352 Ang G12.CA and E16.CD other bump:1.82962 Ang N8.ND2 and Q15.NE2 other bump:2.44598 Ang N8.ND2 and Q15.CD other bump:3.06467 Ang N8.CG and Q15.CG other bump:2.4116 Ang N8.ND2 and Q15.CG Number of specific fragments= 1 total=348 Number of alignments=71 # Reading fragments from alignment file # T0187 read from T0187-1je0A-local-adpstyle5.pw.a2m.gz # 1je0A read from T0187-1je0A-local-adpstyle5.pw.a2m.gz # found chain 1je0A in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1je0A 55 :ETVSIATHGIGGPSIAIVLEELAMLGA Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.42821 Ang L26.O and E27.CG other bump:2.68987 Ang G13.C and E17.OE2 other bump:2.32122 Ang G13.O and E17.OE2 other bump:2.69391 Ang R14.CA and E17.OE1 other bump:1.75239 Ang G13.C and E17.OE1 other bump:0.799426 Ang G13.O and E17.OE1 other bump:2.53072 Ang G13.C and E17.CD other bump:1.72679 Ang G13.O and E17.CD other bump:3.27352 Ang G13.CA and E17.CD other bump:1.82962 Ang N9.ND2 and Q16.NE2 other bump:2.44598 Ang N9.ND2 and Q16.CD other bump:3.06467 Ang N9.CG and Q16.CG other bump:2.4116 Ang N9.ND2 and Q16.CG T0187 43 :VILCSAGTDG 1je0A 82 :NVFIRYGTTG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 3.05984 Ang G1.C and V2.CG1 Number of specific fragments= 2 total=350 Number of alignments=72 # Reading fragments from alignment file # T0187 read from T0187-1je0A-simpleSW-adpstyle1.pw.a2m.gz # 1je0A read from T0187-1je0A-simpleSW-adpstyle1.pw.a2m.gz # found chain 1je0A in template set T0187 80 :YQYLKNN 1je0A 117 :YQYLRDN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 1 total=351 # Reading fragments from alignment file # T0187 read from T0187-1je0A-simpleSW-adpstyle5.pw.a2m.gz # 1je0A read from T0187-1je0A-simpleSW-adpstyle5.pw.a2m.gz # found chain 1je0A in template set T0187 9 :FGGET 1je0A 52 :YNGET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 15 :VHVKGNGIGGRNQELALSAAIAL 1je0A 57 :VSIATHGIGGPSIAIVLEELAML Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.68987 Ang G11.C and E15.OE2 other bump:2.32122 Ang G11.O and E15.OE2 other bump:1.75239 Ang G11.C and E15.OE1 other bump:2.69391 Ang R12.CA and E15.OE1 other bump:0.799426 Ang G11.O and E15.OE1 other bump:2.53072 Ang G11.C and E15.CD other bump:3.27352 Ang G11.CA and E15.CD other bump:1.72679 Ang G11.O and E15.CD other bump:1.82962 Ang N7.ND2 and Q14.NE2 other bump:2.44598 Ang N7.ND2 and Q14.CD other bump:2.4116 Ang N7.ND2 and Q14.CG other bump:3.06467 Ang N7.CG and Q14.CG T0187 41 :EGVILCSAGTDGTDGPTDAAGG 1je0A 80 :GANVFIRYGTTGALVPYINLGE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 3.05985 Ang G3.C and V4.CG1 neighbor-bump: 2.42824 Ang G1.O and E2.CG T0187 63 :IVDGSTA 1je0A 104 :IVTGASY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 74 :AMGEDPYQYLKNND 1je0A 111 :NQGGLFYQYLRDNA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.91237 Ang M3.CE and N14.C self-bump: 1.37778 Ang E5.CA and E5.CB Number of specific fragments= 5 total=356 Number of alignments=73 # Reading fragments from alignment file # T0187 read from T0187-1je0A-vit-adpstyle1.pw.a2m.gz # 1je0A read from T0187-1je0A-vit-adpstyle1.pw.a2m.gz # found chain 1je0A in template set T0187 14 :VVHVKGNGIGGRNQELALSAAIAL 1je0A 56 :TVSIATHGIGGPSIAIVLEELAML Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.68987 Ang G12.C and E16.OE2 other bump:2.32122 Ang G12.O and E16.OE2 other bump:1.75239 Ang G12.C and E16.OE1 other bump:2.69391 Ang R13.CA and E16.OE1 other bump:0.799426 Ang G12.O and E16.OE1 other bump:2.53072 Ang G12.C and E16.CD other bump:1.72679 Ang G12.O and E16.CD other bump:3.27352 Ang G12.CA and E16.CD other bump:1.82962 Ang N8.ND2 and Q15.NE2 other bump:2.44598 Ang N8.ND2 and Q15.CD other bump:3.06467 Ang N8.CG and Q15.CG other bump:2.4116 Ang N8.ND2 and Q15.CG Number of specific fragments= 1 total=357 Number of alignments=74 # Reading fragments from alignment file # T0187 read from T0187-1je0A-vit-adpstyle5.pw.a2m.gz # 1je0A read from T0187-1je0A-vit-adpstyle5.pw.a2m.gz # found chain 1je0A in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1je0A 55 :ETVSIATHGIGGPSIAIVLEELAMLGA Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.42821 Ang L26.O and E27.CG other bump:2.68987 Ang G13.C and E17.OE2 other bump:2.32122 Ang G13.O and E17.OE2 other bump:2.69391 Ang R14.CA and E17.OE1 other bump:1.75239 Ang G13.C and E17.OE1 other bump:0.799426 Ang G13.O and E17.OE1 other bump:2.53072 Ang G13.C and E17.CD other bump:1.72679 Ang G13.O and E17.CD other bump:3.27352 Ang G13.CA and E17.CD other bump:1.82962 Ang N9.ND2 and Q16.NE2 other bump:2.44598 Ang N9.ND2 and Q16.CD other bump:3.06467 Ang N9.CG and Q16.CG other bump:2.4116 Ang N9.ND2 and Q16.CG T0187 43 :VILCSAGTDG 1je0A 82 :NVFIRYGTTG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 3.05984 Ang G1.C and V2.CG1 Number of specific fragments= 2 total=359 Number of alignments=75 # Prefix for input files set to 1jmxA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1jmxA-T0187-local-adpstyle1.pw.a2m.gz # 1jmxA read from 1jmxA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :KPAALIFGGETVVHVKGNGIGGR 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=360 Number of alignments=76 # Reading fragments from alignment file # T0187 read from 1jmxA-T0187-local-adpstyle5.pw.a2m.gz # 1jmxA read from 1jmxA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :KPAALIFGGETVVHVKGNGIGGRNQELA 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGKPDLGA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 T0187 31 :LSAAIALEGIEGVILC 1jmxA 319 :VEVTEVLEQTPTLVRL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 2.21973 Ang A5.O and I6.CG1 neighbor-bump: 2.84153 Ang A5.C and I6.CG1 T0187 47 :SAGTDGTDGPTDAAGGIVD 1jmxA 337 :RAAADAKPGQREVAVGTLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues Number of specific fragments= 3 total=363 Number of alignments=77 # Reading fragments from alignment file # T0187 read from 1jmxA-T0187-vit-adpstyle1.pw.a2m.gz # 1jmxA read from 1jmxA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :KPAALIFGGETVVHVKGNGIGGR 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=364 Number of alignments=78 # Reading fragments from alignment file # T0187 read from 1jmxA-T0187-vit-adpstyle5.pw.a2m.gz # 1jmxA read from 1jmxA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :KPAALIFGGETVVHVKGNGIGGRNQELA 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGKPDLGA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 T0187 31 :LSAAIALEGIEGVILC 1jmxA 319 :VEVTEVLEQTPTLVRL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 2.21973 Ang A5.O and I6.CG1 neighbor-bump: 2.84153 Ang A5.C and I6.CG1 T0187 47 :SAGTDGTDGPTDAAGGIVD 1jmxA 337 :RAAADAKPGQREVAVGTLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues Number of specific fragments= 3 total=367 Number of alignments=79 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :K 1jmxA 3 :Q Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :PAALIFGGETVVHVKGNGIGGRNQELALSAAIALEGIE 1jmxA 14 :GCHIPEGNDTYSRISHQRKTPEGWLMSIARMQVMHGLQ Fragment has 84 clashes (null) has 84 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.92797 Ang I33.CG1 and I38.CG1 other bump:1.90399 Ang I20.CG1 and Q25.OE1 other bump:1.68894 Ang I20.CD1 and Q25.OE1 other bump:2.70615 Ang I20.CG1 and Q25.CD other bump:2.2048 Ang I20.CD1 and Q25.CD other bump:2.75393 Ang I20.CG1 and Q25.CG other bump:2.52349 Ang I20.CD1 and Q25.CG other bump:3.04058 Ang I20.CD1 and Q25.CB other bump:2.53357 Ang I20.CD1 and Q25.CA other bump:2.43518 Ang I20.CD1 and Q25.N other bump:2.89041 Ang I20.CD1 and N24.C other bump:3.02926 Ang I20.CB and N24.CB other bump:1.68062 Ang E10.O and K16.NZ other bump:2.22318 Ang E10.C and K16.NZ other bump:2.39321 Ang T11.N and K16.NZ other bump:2.06712 Ang T11.CA and K16.NZ other bump:2.53049 Ang T11.C and K16.NZ other bump:2.1255 Ang E10.O and K16.CE other bump:2.26942 Ang E10.C and K16.CE other bump:1.88304 Ang T11.N and K16.CE other bump:2.6181 Ang T11.CG2 and K16.CE other bump:2.58361 Ang F7.CZ and K16.CE other bump:1.07653 Ang T11.CA and K16.CE other bump:2.12249 Ang T11.CB and K16.CE other bump:2.29721 Ang T11.C and K16.CE other bump:2.78431 Ang V12.N and K16.CE other bump:2.80791 Ang T11.CG2 and K16.CD other bump:1.78486 Ang F7.CE2 and K16.CD other bump:1.45653 Ang F7.CZ and K16.CD other bump:1.64324 Ang T11.CA and K16.CD other bump:1.86579 Ang T11.CB and K16.CD other bump:2.21593 Ang T11.C and K16.CD other bump:2.194 Ang V12.N and K16.CD other bump:2.74034 Ang F7.CE2 and K16.CG other bump:3.03159 Ang T11.CA and K16.CG other bump:2.84199 Ang V12.N and K16.CG other bump:2.86728 Ang F7.CE2 and K16.CB other bump:2.77834 Ang F7.CZ and K16.CB neighbor-bump: 2.85579 Ang V13.CG1 and H14.CA neighbor-bump: 1.69909 Ang V13.CG1 and H14.N neighbor-bump: 2.41573 Ang V13.CB and H14.N self-bump: 2.31152 Ang V13.CG1 and V13.C self-bump: 2.20424 Ang V13.CB and V13.C self-bump: 1.2963 Ang V13.CA and V13.CB other bump:2.85989 Ang F7.CD2 and V12.C other bump:2.90266 Ang F7.CE2 and V12.C other bump:2.69881 Ang F7.CE2 and V12.O other bump:2.68558 Ang F7.CD2 and V12.CA other bump:2.67855 Ang F7.CE2 and V12.CA other bump:2.36477 Ang F7.CD2 and V12.N other bump:1.74585 Ang F7.CE2 and V12.N other bump:2.79912 Ang F7.CZ and V12.N other bump:3.156 Ang F7.CG and T11.C other bump:2.33772 Ang F7.CD2 and T11.C other bump:1.95282 Ang F7.CE2 and T11.C other bump:2.57108 Ang F7.CZ and T11.C other bump:2.57669 Ang F7.CD2 and T11.O other bump:2.81336 Ang F7.CE2 and T11.O other bump:2.29417 Ang F7.CG and T11.OG1 other bump:1.43334 Ang F7.CD1 and T11.OG1 other bump:1.28975 Ang F7.CE1 and T11.OG1 other bump:2.75543 Ang F7.CE2 and T11.OG1 other bump:2.10812 Ang F7.CZ and T11.OG1 other bump:2.29248 Ang F7.CE1 and T11.CG2 other bump:2.49796 Ang F7.CZ and T11.CG2 other bump:2.45775 Ang F7.CD1 and T11.CB other bump:3.07289 Ang F7.CD2 and T11.CB other bump:1.40528 Ang F7.CE1 and T11.CB other bump:2.32589 Ang F7.CE2 and T11.CB other bump:1.2923 Ang F7.CZ and T11.CB other bump:2.82582 Ang F7.CE1 and T11.CA other bump:2.44284 Ang F7.CE2 and T11.CA other bump:2.16571 Ang F7.CZ and T11.CA neighbor-bump: 2.57413 Ang L5.CD1 and I6.O neighbor-bump: 2.70425 Ang P2.CD and A3.N neighbor-bump: 2.1246 Ang P2.CB and A3.N self-bump: 1.33505 Ang P2.N and P2.CD neighbor-bump: 2.15356 Ang G1.O and P2.CD neighbor-bump: 1.10938 Ang G1.C and P2.CD self-bump: 2.02702 Ang P2.N and P2.CG neighbor-bump: 0.872929 Ang G1.O and P2.CG neighbor-bump: 1.00585 Ang G1.C and P2.CG neighbor-bump: 1.5432 Ang G1.O and P2.CB neighbor-bump: 2.00292 Ang G1.C and P2.CB T0187 42 :GVILCSAGTDGTDGPTDAAGGIVDGSTAKTLKAMGE 1jmxA 67 :KQGLAPSETDGVRYAMERRLNTVEQFDTQLSETCGR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.20138 Ang T13.O and P16.CD other bump:2.95072 Ang T13.C and P16.CD neighbor-bump: 2.60902 Ang G15.N and P16.CD T0187 78 :DPYQYLKNNDSYNALKKSGALLITGPTGT 1jmxA 106 :GARVALQRRPAKEWEHLVNFHLGQWPSLE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.58698 Ang G20.O and I24.CD1 neighbor-bump: 2.2606 Ang D2.N and P3.CD other bump:2.87473 Ang G1.C and P3.CD Number of specific fragments= 4 total=371 Number of alignments=80 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :K 1jmxA 3 :Q Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 6 :ALIFGGETVVHVKGNGIGGRNQELALSAAIALEGIE 1jmxA 16 :HIPEGNDTYSRISHQRKTPEGWLMSIARMQVMHGLQ Fragment has 74 clashes (null) has 74 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.92797 Ang I31.CG1 and I36.CG1 other bump:1.90399 Ang I18.CG1 and Q23.OE1 other bump:1.68894 Ang I18.CD1 and Q23.OE1 other bump:2.70615 Ang I18.CG1 and Q23.CD other bump:2.2048 Ang I18.CD1 and Q23.CD other bump:2.75393 Ang I18.CG1 and Q23.CG other bump:2.52349 Ang I18.CD1 and Q23.CG other bump:3.04058 Ang I18.CD1 and Q23.CB other bump:2.53357 Ang I18.CD1 and Q23.CA other bump:2.43518 Ang I18.CD1 and Q23.N other bump:2.89041 Ang I18.CD1 and N22.C other bump:3.02926 Ang I18.CB and N22.CB other bump:1.68062 Ang E8.O and K14.NZ other bump:2.22318 Ang E8.C and K14.NZ other bump:2.39321 Ang T9.N and K14.NZ other bump:2.06712 Ang T9.CA and K14.NZ other bump:2.53049 Ang T9.C and K14.NZ other bump:2.1255 Ang E8.O and K14.CE other bump:2.26942 Ang E8.C and K14.CE other bump:1.88304 Ang T9.N and K14.CE other bump:2.6181 Ang T9.CG2 and K14.CE other bump:2.58361 Ang F5.CZ and K14.CE other bump:1.07653 Ang T9.CA and K14.CE other bump:2.12249 Ang T9.CB and K14.CE other bump:2.29721 Ang T9.C and K14.CE other bump:2.78431 Ang V10.N and K14.CE other bump:2.80791 Ang T9.CG2 and K14.CD other bump:1.78486 Ang F5.CE2 and K14.CD other bump:1.45653 Ang F5.CZ and K14.CD other bump:1.64324 Ang T9.CA and K14.CD other bump:1.86579 Ang T9.CB and K14.CD other bump:2.21593 Ang T9.C and K14.CD other bump:2.194 Ang V10.N and K14.CD other bump:2.74034 Ang F5.CE2 and K14.CG other bump:3.03159 Ang T9.CA and K14.CG other bump:2.84199 Ang V10.N and K14.CG other bump:2.86728 Ang F5.CE2 and K14.CB other bump:2.77834 Ang F5.CZ and K14.CB neighbor-bump: 2.85579 Ang V11.CG1 and H12.CA neighbor-bump: 1.69909 Ang V11.CG1 and H12.N neighbor-bump: 2.41573 Ang V11.CB and H12.N self-bump: 2.31152 Ang V11.CG1 and V11.C self-bump: 2.20424 Ang V11.CB and V11.C self-bump: 1.2963 Ang V11.CA and V11.CB other bump:2.85989 Ang F5.CD2 and V10.C other bump:2.90266 Ang F5.CE2 and V10.C other bump:2.69881 Ang F5.CE2 and V10.O other bump:2.68558 Ang F5.CD2 and V10.CA other bump:2.67855 Ang F5.CE2 and V10.CA other bump:2.36477 Ang F5.CD2 and V10.N other bump:1.74585 Ang F5.CE2 and V10.N other bump:2.79912 Ang F5.CZ and V10.N other bump:3.156 Ang F5.CG and T9.C other bump:2.33772 Ang F5.CD2 and T9.C other bump:1.95282 Ang F5.CE2 and T9.C other bump:2.57108 Ang F5.CZ and T9.C other bump:2.57669 Ang F5.CD2 and T9.O other bump:2.81336 Ang F5.CE2 and T9.O other bump:2.29417 Ang F5.CG and T9.OG1 other bump:1.43334 Ang F5.CD1 and T9.OG1 other bump:1.28975 Ang F5.CE1 and T9.OG1 other bump:2.75543 Ang F5.CE2 and T9.OG1 other bump:2.10812 Ang F5.CZ and T9.OG1 other bump:2.29248 Ang F5.CE1 and T9.CG2 other bump:2.49796 Ang F5.CZ and T9.CG2 other bump:2.45775 Ang F5.CD1 and T9.CB other bump:3.07289 Ang F5.CD2 and T9.CB other bump:1.40528 Ang F5.CE1 and T9.CB other bump:2.32589 Ang F5.CE2 and T9.CB other bump:1.2923 Ang F5.CZ and T9.CB other bump:2.82582 Ang F5.CE1 and T9.CA other bump:2.44284 Ang F5.CE2 and T9.CA other bump:2.16571 Ang F5.CZ and T9.CA neighbor-bump: 2.57413 Ang L3.CD1 and I4.O T0187 44 :ILCSAGTDGTDGPTDAAGGI 1jmxA 69 :GLAPSETDGVRYAMERRLNT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 2.60902 Ang G13.N and P14.CD other bump:2.20138 Ang T11.O and P14.CD other bump:2.95072 Ang T11.C and P14.CD T0187 64 :VDGSTAKTLKAMGEDPYQYLKNNDSYNALKKSGALLITGPTGTN 1jmxA 92 :FDTQLSETCGRCHSGARVALQRRPAKEWEHLVNFHLGQWPSLEY Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 46 residues other bump:2.58698 Ang G34.O and I38.CD1 neighbor-bump: 2.2606 Ang D16.N and P17.CD other bump:2.75393 Ang E15.CD and P17.CD other bump:2.97641 Ang E15.CB and P17.CD other bump:1.78987 Ang E15.CG and P17.CD other bump:2.87473 Ang E15.C and P17.CD other bump:2.11409 Ang E15.CD and P17.CG other bump:1.97795 Ang E15.OE2 and P17.CG other bump:2.11322 Ang E15.CG and P17.CG other bump:2.32237 Ang E15.CD and P17.CB other bump:2.80159 Ang E15.OE1 and P17.CB other bump:2.47676 Ang E15.OE2 and P17.CB other bump:2.7588 Ang E15.CG and P17.CB other bump:2.82713 Ang E15.CG and P17.N other bump:2.41285 Ang K11.CD and D16.C other bump:2.0035 Ang K11.CE and D16.C other bump:2.42179 Ang V2.CG2 and D16.OD2 other bump:2.47734 Ang K11.CB and D16.OD2 other bump:2.08999 Ang K11.CG and D16.OD2 other bump:1.73989 Ang K11.CB and D16.OD1 other bump:0.560419 Ang K11.CG and D16.OD1 other bump:1.99906 Ang K11.CD and D16.OD1 other bump:2.53233 Ang K11.CA and D16.OD1 other bump:2.10981 Ang K11.CB and D16.CG other bump:1.05085 Ang K11.CG and D16.CG other bump:1.64163 Ang K11.CD and D16.CG other bump:2.05919 Ang K11.CE and D16.CG other bump:2.10916 Ang K11.NZ and D16.CG other bump:2.05414 Ang K11.CG and D16.CB other bump:1.12619 Ang K11.CD and D16.CB other bump:0.678861 Ang K11.CE and D16.CB other bump:1.39379 Ang K11.NZ and D16.CB other bump:2.31481 Ang K11.CG and D16.CA other bump:0.947903 Ang K11.CD and D16.CA other bump:1.49353 Ang K11.CE and D16.CA other bump:2.84493 Ang K11.NZ and D16.CA other bump:2.84739 Ang K11.CG and D16.N other bump:1.62717 Ang K11.CD and D16.N other bump:2.71112 Ang K11.CE and D16.N other bump:2.73231 Ang K11.CD and E15.C other bump:1.98978 Ang V2.CG1 and K11.NZ other bump:2.9625 Ang V2.CG2 and K11.NZ Number of specific fragments= 4 total=375 Number of alignments=81 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 4 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=376 Number of alignments=82 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 4 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=377 Number of alignments=83 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :K 1jmxA 3 :Q Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :PAALIFGGETVVHVKGNGIGGRNQELALSAAIALEGIE 1jmxA 14 :GCHIPEGNDTYSRISHQRKTPEGWLMSIARMQVMHGLQ Fragment has 84 clashes (null) has 84 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.92797 Ang I33.CG1 and I38.CG1 other bump:1.90399 Ang I20.CG1 and Q25.OE1 other bump:1.68894 Ang I20.CD1 and Q25.OE1 other bump:2.70615 Ang I20.CG1 and Q25.CD other bump:2.2048 Ang I20.CD1 and Q25.CD other bump:2.75393 Ang I20.CG1 and Q25.CG other bump:2.52349 Ang I20.CD1 and Q25.CG other bump:3.04058 Ang I20.CD1 and Q25.CB other bump:2.53357 Ang I20.CD1 and Q25.CA other bump:2.43518 Ang I20.CD1 and Q25.N other bump:2.89041 Ang I20.CD1 and N24.C other bump:3.02926 Ang I20.CB and N24.CB other bump:1.68062 Ang E10.O and K16.NZ other bump:2.22318 Ang E10.C and K16.NZ other bump:2.39321 Ang T11.N and K16.NZ other bump:2.06712 Ang T11.CA and K16.NZ other bump:2.53049 Ang T11.C and K16.NZ other bump:2.1255 Ang E10.O and K16.CE other bump:2.26942 Ang E10.C and K16.CE other bump:1.88304 Ang T11.N and K16.CE other bump:2.6181 Ang T11.CG2 and K16.CE other bump:2.58361 Ang F7.CZ and K16.CE other bump:1.07653 Ang T11.CA and K16.CE other bump:2.12249 Ang T11.CB and K16.CE other bump:2.29721 Ang T11.C and K16.CE other bump:2.78431 Ang V12.N and K16.CE other bump:2.80791 Ang T11.CG2 and K16.CD other bump:1.78486 Ang F7.CE2 and K16.CD other bump:1.45653 Ang F7.CZ and K16.CD other bump:1.64324 Ang T11.CA and K16.CD other bump:1.86579 Ang T11.CB and K16.CD other bump:2.21593 Ang T11.C and K16.CD other bump:2.194 Ang V12.N and K16.CD other bump:2.74034 Ang F7.CE2 and K16.CG other bump:3.03159 Ang T11.CA and K16.CG other bump:2.84199 Ang V12.N and K16.CG other bump:2.86728 Ang F7.CE2 and K16.CB other bump:2.77834 Ang F7.CZ and K16.CB neighbor-bump: 2.85579 Ang V13.CG1 and H14.CA neighbor-bump: 1.69909 Ang V13.CG1 and H14.N neighbor-bump: 2.41573 Ang V13.CB and H14.N self-bump: 2.31152 Ang V13.CG1 and V13.C self-bump: 2.20424 Ang V13.CB and V13.C self-bump: 1.2963 Ang V13.CA and V13.CB other bump:2.85989 Ang F7.CD2 and V12.C other bump:2.90266 Ang F7.CE2 and V12.C other bump:2.69881 Ang F7.CE2 and V12.O other bump:2.68558 Ang F7.CD2 and V12.CA other bump:2.67855 Ang F7.CE2 and V12.CA other bump:2.36477 Ang F7.CD2 and V12.N other bump:1.74585 Ang F7.CE2 and V12.N other bump:2.79912 Ang F7.CZ and V12.N other bump:3.156 Ang F7.CG and T11.C other bump:2.33772 Ang F7.CD2 and T11.C other bump:1.95282 Ang F7.CE2 and T11.C other bump:2.57108 Ang F7.CZ and T11.C other bump:2.57669 Ang F7.CD2 and T11.O other bump:2.81336 Ang F7.CE2 and T11.O other bump:2.29417 Ang F7.CG and T11.OG1 other bump:1.43334 Ang F7.CD1 and T11.OG1 other bump:1.28975 Ang F7.CE1 and T11.OG1 other bump:2.75543 Ang F7.CE2 and T11.OG1 other bump:2.10812 Ang F7.CZ and T11.OG1 other bump:2.29248 Ang F7.CE1 and T11.CG2 other bump:2.49796 Ang F7.CZ and T11.CG2 other bump:2.45775 Ang F7.CD1 and T11.CB other bump:3.07289 Ang F7.CD2 and T11.CB other bump:1.40528 Ang F7.CE1 and T11.CB other bump:2.32589 Ang F7.CE2 and T11.CB other bump:1.2923 Ang F7.CZ and T11.CB other bump:2.82582 Ang F7.CE1 and T11.CA other bump:2.44284 Ang F7.CE2 and T11.CA other bump:2.16571 Ang F7.CZ and T11.CA neighbor-bump: 2.57413 Ang L5.CD1 and I6.O neighbor-bump: 2.70425 Ang P2.CD and A3.N neighbor-bump: 2.1246 Ang P2.CB and A3.N self-bump: 1.33505 Ang P2.N and P2.CD neighbor-bump: 2.15356 Ang G1.O and P2.CD neighbor-bump: 1.10938 Ang G1.C and P2.CD self-bump: 2.02702 Ang P2.N and P2.CG neighbor-bump: 0.872929 Ang G1.O and P2.CG neighbor-bump: 1.00585 Ang G1.C and P2.CG neighbor-bump: 1.5432 Ang G1.O and P2.CB neighbor-bump: 2.00292 Ang G1.C and P2.CB T0187 42 :GVILCSAGTDGTDGP 1jmxA 67 :KQGLAPSETDGVRYA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.60902 Ang G15.N and P16.CD other bump:2.20139 Ang T13.O and P16.CD other bump:2.95072 Ang T13.C and P16.CD T0187 57 :TDAAGGIVDGSTAKTLKAMGEDPYQYLK 1jmxA 134 :EYQAQARDRDWLPIALQQVVPDLAKRYP Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.03437 Ang Y25.O and K29.CE other bump:2.58661 Ang Y25.C and K29.CE other bump:2.79545 Ang Q26.CA and K29.CE other bump:1.64584 Ang Y25.O and K29.CD other bump:2.7156 Ang Y25.C and K29.CD other bump:2.31384 Ang Y25.O and K29.CG other bump:2.48565 Ang G21.O and Y25.CD1 neighbor-bump: 2.67811 Ang D23.N and P24.CD other bump:1.35703 Ang M20.O and P24.CD other bump:2.5823 Ang M20.C and P24.CD other bump:3.12158 Ang G21.C and P24.CD other bump:1.95632 Ang M20.O and P24.CG other bump:2.95261 Ang M20.C and P24.CG other bump:2.75087 Ang K18.C and E22.OE1 other bump:2.73326 Ang T16.CA and M20.CE other bump:2.2069 Ang T16.OG1 and M20.CE other bump:2.72079 Ang T16.CB and M20.CE other bump:2.4043 Ang D3.C and I8.CG2 other bump:2.55313 Ang D3.CA and I8.CG2 other bump:2.26009 Ang D3.O and I8.CG2 T0187 85 :NNDSYNALKKSG 1jmxA 163 :ESAAWAEWQKAR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.22211 Ang Y6.CD1 and K10.NZ other bump:2.36697 Ang Y6.CE2 and K10.NZ other bump:1.06094 Ang Y6.CE1 and K10.NZ other bump:1.19937 Ang Y6.CZ and K10.NZ other bump:1.81758 Ang Y6.OH and K10.NZ other bump:2.22656 Ang Y6.CE1 and K10.CE other bump:2.50919 Ang Y6.CZ and K10.CE other bump:2.36604 Ang Y6.OH and K10.CE T0187 97 :ALLITGPTGTNVNDLIIGLI 1jmxA 183 :QWAFSGHMLAKGDVRGVMSV Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.21862 Ang L4.CD1 and I18.CG2 other bump:2.4685 Ang I5.CD1 and I17.CD1 neighbor-bump: 2.69142 Ang L16.C and I17.CG2 neighbor-bump: 2.1276 Ang L16.O and I17.CG2 other bump:2.54981 Ang I5.CG1 and I17.CG1 other bump:2.63655 Ang I5.CD1 and I17.CG1 neighbor-bump: 2.50588 Ang V13.CG1 and N14.N neighbor-bump: 1.24362 Ang N12.O and V13.CG2 neighbor-bump: 2.3072 Ang N12.C and V13.CG2 neighbor-bump: 2.08661 Ang N12.O and V13.CB neighbor-bump: 2.51823 Ang N12.C and V13.CB self-bump: 1.97165 Ang N12.CB and N12.C self-bump: 1.35273 Ang N12.CA and N12.CB neighbor-bump: 2.36286 Ang G7.CA and P8.CD neighbor-bump: 1.74508 Ang G7.C and P8.CD neighbor-bump: 2.52577 Ang G7.C and P8.CG Number of specific fragments= 6 total=383 Number of alignments=84 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :K 1jmxA 3 :Q Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 5 :AALIFGGETVVHVKGNGIGGRNQELALSAAIALEGIE 1jmxA 15 :CHIPEGNDTYSRISHQRKTPEGWLMSIARMQVMHGLQ Fragment has 74 clashes (null) has 74 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.92797 Ang I32.CG1 and I37.CG1 other bump:1.90399 Ang I19.CG1 and Q24.OE1 other bump:1.68894 Ang I19.CD1 and Q24.OE1 other bump:2.70615 Ang I19.CG1 and Q24.CD other bump:2.2048 Ang I19.CD1 and Q24.CD other bump:2.75393 Ang I19.CG1 and Q24.CG other bump:2.52349 Ang I19.CD1 and Q24.CG other bump:3.04058 Ang I19.CD1 and Q24.CB other bump:2.53357 Ang I19.CD1 and Q24.CA other bump:2.43518 Ang I19.CD1 and Q24.N other bump:2.89041 Ang I19.CD1 and N23.C other bump:3.02926 Ang I19.CB and N23.CB other bump:1.68062 Ang E9.O and K15.NZ other bump:2.22318 Ang E9.C and K15.NZ other bump:2.39321 Ang T10.N and K15.NZ other bump:2.06712 Ang T10.CA and K15.NZ other bump:2.53049 Ang T10.C and K15.NZ other bump:2.1255 Ang E9.O and K15.CE other bump:2.26942 Ang E9.C and K15.CE other bump:1.88304 Ang T10.N and K15.CE other bump:2.6181 Ang T10.CG2 and K15.CE other bump:2.58361 Ang F6.CZ and K15.CE other bump:1.07653 Ang T10.CA and K15.CE other bump:2.12249 Ang T10.CB and K15.CE other bump:2.29721 Ang T10.C and K15.CE other bump:2.78431 Ang V11.N and K15.CE other bump:2.80791 Ang T10.CG2 and K15.CD other bump:1.78486 Ang F6.CE2 and K15.CD other bump:1.45653 Ang F6.CZ and K15.CD other bump:1.64324 Ang T10.CA and K15.CD other bump:1.86579 Ang T10.CB and K15.CD other bump:2.21593 Ang T10.C and K15.CD other bump:2.194 Ang V11.N and K15.CD other bump:2.74034 Ang F6.CE2 and K15.CG other bump:3.03159 Ang T10.CA and K15.CG other bump:2.84199 Ang V11.N and K15.CG other bump:2.86728 Ang F6.CE2 and K15.CB other bump:2.77834 Ang F6.CZ and K15.CB neighbor-bump: 2.85579 Ang V12.CG1 and H13.CA neighbor-bump: 1.69909 Ang V12.CG1 and H13.N neighbor-bump: 2.41573 Ang V12.CB and H13.N self-bump: 2.31152 Ang V12.CG1 and V12.C self-bump: 2.20424 Ang V12.CB and V12.C self-bump: 1.2963 Ang V12.CA and V12.CB other bump:2.85989 Ang F6.CD2 and V11.C other bump:2.90266 Ang F6.CE2 and V11.C other bump:2.69881 Ang F6.CE2 and V11.O other bump:2.68558 Ang F6.CD2 and V11.CA other bump:2.67855 Ang F6.CE2 and V11.CA other bump:2.36477 Ang F6.CD2 and V11.N other bump:1.74585 Ang F6.CE2 and V11.N other bump:2.79912 Ang F6.CZ and V11.N other bump:3.156 Ang F6.CG and T10.C other bump:2.33772 Ang F6.CD2 and T10.C other bump:1.95282 Ang F6.CE2 and T10.C other bump:2.57108 Ang F6.CZ and T10.C other bump:2.57669 Ang F6.CD2 and T10.O other bump:2.81336 Ang F6.CE2 and T10.O other bump:2.29417 Ang F6.CG and T10.OG1 other bump:1.43334 Ang F6.CD1 and T10.OG1 other bump:1.28975 Ang F6.CE1 and T10.OG1 other bump:2.75543 Ang F6.CE2 and T10.OG1 other bump:2.10812 Ang F6.CZ and T10.OG1 other bump:2.29248 Ang F6.CE1 and T10.CG2 other bump:2.49796 Ang F6.CZ and T10.CG2 other bump:2.45775 Ang F6.CD1 and T10.CB other bump:3.07289 Ang F6.CD2 and T10.CB other bump:1.40528 Ang F6.CE1 and T10.CB other bump:2.32589 Ang F6.CE2 and T10.CB other bump:1.2923 Ang F6.CZ and T10.CB other bump:2.82582 Ang F6.CE1 and T10.CA other bump:2.44284 Ang F6.CE2 and T10.CA other bump:2.16571 Ang F6.CZ and T10.CA neighbor-bump: 2.57413 Ang L4.CD1 and I5.O T0187 47 :SAGTDGTDGP 1jmxA 72 :PSETDGVRYA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.60902 Ang G10.N and P11.CD other bump:2.95072 Ang T8.C and P11.CD other bump:2.20139 Ang T8.O and P11.CD T0187 57 :TDAAGGIVDGSTAKTLKAMGEDPYQYL 1jmxA 134 :EYQAQARDRDWLPIALQQVVPDLAKRY Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.48565 Ang G21.O and Y25.CD1 neighbor-bump: 2.67811 Ang D23.N and P24.CD other bump:1.35703 Ang M20.O and P24.CD other bump:2.5823 Ang M20.C and P24.CD other bump:3.12158 Ang G21.C and P24.CD other bump:1.95632 Ang M20.O and P24.CG other bump:2.95261 Ang M20.C and P24.CG other bump:2.75087 Ang K18.C and E22.OE1 other bump:2.73326 Ang T16.CA and M20.CE other bump:2.2069 Ang T16.OG1 and M20.CE other bump:2.72079 Ang T16.CB and M20.CE other bump:2.4043 Ang D3.C and I8.CG2 other bump:2.55313 Ang D3.CA and I8.CG2 other bump:2.26009 Ang D3.O and I8.CG2 T0187 84 :KNNDSYNALKKSG 1jmxA 162 :LESAAWAEWQKAR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.22211 Ang Y7.CD1 and K11.NZ other bump:2.36697 Ang Y7.CE2 and K11.NZ other bump:1.06093 Ang Y7.CE1 and K11.NZ other bump:1.19938 Ang Y7.CZ and K11.NZ other bump:1.81759 Ang Y7.OH and K11.NZ other bump:2.22656 Ang Y7.CE1 and K11.CE other bump:2.50921 Ang Y7.CZ and K11.CE other bump:2.36605 Ang Y7.OH and K11.CE T0187 97 :ALLITGPTGT 1jmxA 183 :QWAFSGHMLA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.36286 Ang G7.CA and P8.CD neighbor-bump: 1.74508 Ang G7.C and P8.CD neighbor-bump: 2.52577 Ang G7.C and P8.CG T0187 107 :NVNDLIIGL 1jmxA 195 :DVRGVMSVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 7 total=390 Number of alignments=85 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 4 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=391 Number of alignments=86 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :KPAALIFGGETVVHVKGNGIGGR 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=392 Number of alignments=87 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :K 1jmxA 3 :Q Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 4 :PAALIFGGETVVHVKGNGIGGRNQELALSAAIALEGIE 1jmxA 14 :GCHIPEGNDTYSRISHQRKTPEGWLMSIARMQVMHGLQ Fragment has 84 clashes (null) has 84 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.92797 Ang I33.CG1 and I38.CG1 other bump:1.90399 Ang I20.CG1 and Q25.OE1 other bump:1.68894 Ang I20.CD1 and Q25.OE1 other bump:2.70615 Ang I20.CG1 and Q25.CD other bump:2.2048 Ang I20.CD1 and Q25.CD other bump:2.75393 Ang I20.CG1 and Q25.CG other bump:2.52349 Ang I20.CD1 and Q25.CG other bump:3.04058 Ang I20.CD1 and Q25.CB other bump:2.53357 Ang I20.CD1 and Q25.CA other bump:2.43518 Ang I20.CD1 and Q25.N other bump:2.89041 Ang I20.CD1 and N24.C other bump:3.02926 Ang I20.CB and N24.CB other bump:1.68062 Ang E10.O and K16.NZ other bump:2.22318 Ang E10.C and K16.NZ other bump:2.39321 Ang T11.N and K16.NZ other bump:2.06712 Ang T11.CA and K16.NZ other bump:2.53049 Ang T11.C and K16.NZ other bump:2.1255 Ang E10.O and K16.CE other bump:2.26942 Ang E10.C and K16.CE other bump:1.88304 Ang T11.N and K16.CE other bump:2.6181 Ang T11.CG2 and K16.CE other bump:2.58361 Ang F7.CZ and K16.CE other bump:1.07653 Ang T11.CA and K16.CE other bump:2.12249 Ang T11.CB and K16.CE other bump:2.29721 Ang T11.C and K16.CE other bump:2.78431 Ang V12.N and K16.CE other bump:2.80791 Ang T11.CG2 and K16.CD other bump:1.78486 Ang F7.CE2 and K16.CD other bump:1.45653 Ang F7.CZ and K16.CD other bump:1.64324 Ang T11.CA and K16.CD other bump:1.86579 Ang T11.CB and K16.CD other bump:2.21593 Ang T11.C and K16.CD other bump:2.194 Ang V12.N and K16.CD other bump:2.74034 Ang F7.CE2 and K16.CG other bump:3.03159 Ang T11.CA and K16.CG other bump:2.84199 Ang V12.N and K16.CG other bump:2.86728 Ang F7.CE2 and K16.CB other bump:2.77834 Ang F7.CZ and K16.CB neighbor-bump: 2.85579 Ang V13.CG1 and H14.CA neighbor-bump: 1.69909 Ang V13.CG1 and H14.N neighbor-bump: 2.41573 Ang V13.CB and H14.N self-bump: 2.31152 Ang V13.CG1 and V13.C self-bump: 2.20424 Ang V13.CB and V13.C self-bump: 1.2963 Ang V13.CA and V13.CB other bump:2.85989 Ang F7.CD2 and V12.C other bump:2.90266 Ang F7.CE2 and V12.C other bump:2.69881 Ang F7.CE2 and V12.O other bump:2.68558 Ang F7.CD2 and V12.CA other bump:2.67855 Ang F7.CE2 and V12.CA other bump:2.36477 Ang F7.CD2 and V12.N other bump:1.74585 Ang F7.CE2 and V12.N other bump:2.79912 Ang F7.CZ and V12.N other bump:3.156 Ang F7.CG and T11.C other bump:2.33772 Ang F7.CD2 and T11.C other bump:1.95282 Ang F7.CE2 and T11.C other bump:2.57108 Ang F7.CZ and T11.C other bump:2.57669 Ang F7.CD2 and T11.O other bump:2.81336 Ang F7.CE2 and T11.O other bump:2.29417 Ang F7.CG and T11.OG1 other bump:1.43334 Ang F7.CD1 and T11.OG1 other bump:1.28975 Ang F7.CE1 and T11.OG1 other bump:2.75543 Ang F7.CE2 and T11.OG1 other bump:2.10812 Ang F7.CZ and T11.OG1 other bump:2.29248 Ang F7.CE1 and T11.CG2 other bump:2.49796 Ang F7.CZ and T11.CG2 other bump:2.45775 Ang F7.CD1 and T11.CB other bump:3.07289 Ang F7.CD2 and T11.CB other bump:1.40528 Ang F7.CE1 and T11.CB other bump:2.32589 Ang F7.CE2 and T11.CB other bump:1.2923 Ang F7.CZ and T11.CB other bump:2.82582 Ang F7.CE1 and T11.CA other bump:2.44284 Ang F7.CE2 and T11.CA other bump:2.16571 Ang F7.CZ and T11.CA neighbor-bump: 2.57413 Ang L5.CD1 and I6.O neighbor-bump: 2.70425 Ang P2.CD and A3.N neighbor-bump: 2.1246 Ang P2.CB and A3.N self-bump: 1.33505 Ang P2.N and P2.CD neighbor-bump: 2.15356 Ang G1.O and P2.CD neighbor-bump: 1.10938 Ang G1.C and P2.CD self-bump: 2.02702 Ang P2.N and P2.CG neighbor-bump: 0.872929 Ang G1.O and P2.CG neighbor-bump: 1.00585 Ang G1.C and P2.CG neighbor-bump: 1.5432 Ang G1.O and P2.CB neighbor-bump: 2.00292 Ang G1.C and P2.CB T0187 49 :GTDGTDGPTDAAGGIVDGSTAKTLKAMGE 1jmxA 74 :ETDGVRYAMERRLNTVEQFDTQLSETCGR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.20138 Ang T6.O and P9.CD other bump:2.95072 Ang T6.C and P9.CD neighbor-bump: 2.60902 Ang G8.N and P9.CD T0187 78 :DPYQYLKNNDSYNALKKSG 1jmxA 106 :GARVALQRRPAKEWEHLVN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.87473 Ang G1.C and P3.CD neighbor-bump: 2.2606 Ang D2.N and P3.CD T0187 97 :ALLITGPTGTNVNDLIIGLI 1jmxA 131 :PSLEYQAQARDRDWLPIALQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.28465 Ang V13.CG1 and I18.CD1 neighbor-bump: 2.82477 Ang N12.OD1 and V13.CG2 other bump:2.67444 Ang T6.CA and T11.OG1 other bump:2.18931 Ang T6.O and T11.OG1 other bump:2.2748 Ang T6.C and T11.OG1 Number of specific fragments= 5 total=397 Number of alignments=88 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :K 1jmxA 3 :Q Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 5 :AALIFGGETVVHVKGNGIGGRNQELALSAAIALEGIE 1jmxA 15 :CHIPEGNDTYSRISHQRKTPEGWLMSIARMQVMHGLQ Fragment has 74 clashes (null) has 74 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.92797 Ang I32.CG1 and I37.CG1 other bump:1.90399 Ang I19.CG1 and Q24.OE1 other bump:1.68894 Ang I19.CD1 and Q24.OE1 other bump:2.70615 Ang I19.CG1 and Q24.CD other bump:2.2048 Ang I19.CD1 and Q24.CD other bump:2.75393 Ang I19.CG1 and Q24.CG other bump:2.52349 Ang I19.CD1 and Q24.CG other bump:3.04058 Ang I19.CD1 and Q24.CB other bump:2.53357 Ang I19.CD1 and Q24.CA other bump:2.43518 Ang I19.CD1 and Q24.N other bump:2.89041 Ang I19.CD1 and N23.C other bump:3.02926 Ang I19.CB and N23.CB other bump:1.68062 Ang E9.O and K15.NZ other bump:2.22318 Ang E9.C and K15.NZ other bump:2.39321 Ang T10.N and K15.NZ other bump:2.06712 Ang T10.CA and K15.NZ other bump:2.53049 Ang T10.C and K15.NZ other bump:2.1255 Ang E9.O and K15.CE other bump:2.26942 Ang E9.C and K15.CE other bump:1.88304 Ang T10.N and K15.CE other bump:2.6181 Ang T10.CG2 and K15.CE other bump:2.58361 Ang F6.CZ and K15.CE other bump:1.07653 Ang T10.CA and K15.CE other bump:2.12249 Ang T10.CB and K15.CE other bump:2.29721 Ang T10.C and K15.CE other bump:2.78431 Ang V11.N and K15.CE other bump:2.80791 Ang T10.CG2 and K15.CD other bump:1.78486 Ang F6.CE2 and K15.CD other bump:1.45653 Ang F6.CZ and K15.CD other bump:1.64324 Ang T10.CA and K15.CD other bump:1.86579 Ang T10.CB and K15.CD other bump:2.21593 Ang T10.C and K15.CD other bump:2.194 Ang V11.N and K15.CD other bump:2.74034 Ang F6.CE2 and K15.CG other bump:3.03159 Ang T10.CA and K15.CG other bump:2.84199 Ang V11.N and K15.CG other bump:2.86728 Ang F6.CE2 and K15.CB other bump:2.77834 Ang F6.CZ and K15.CB neighbor-bump: 2.85579 Ang V12.CG1 and H13.CA neighbor-bump: 1.69909 Ang V12.CG1 and H13.N neighbor-bump: 2.41573 Ang V12.CB and H13.N self-bump: 2.31152 Ang V12.CG1 and V12.C self-bump: 2.20424 Ang V12.CB and V12.C self-bump: 1.2963 Ang V12.CA and V12.CB other bump:2.85989 Ang F6.CD2 and V11.C other bump:2.90266 Ang F6.CE2 and V11.C other bump:2.69881 Ang F6.CE2 and V11.O other bump:2.68558 Ang F6.CD2 and V11.CA other bump:2.67855 Ang F6.CE2 and V11.CA other bump:2.36477 Ang F6.CD2 and V11.N other bump:1.74585 Ang F6.CE2 and V11.N other bump:2.79912 Ang F6.CZ and V11.N other bump:3.156 Ang F6.CG and T10.C other bump:2.33772 Ang F6.CD2 and T10.C other bump:1.95282 Ang F6.CE2 and T10.C other bump:2.57108 Ang F6.CZ and T10.C other bump:2.57669 Ang F6.CD2 and T10.O other bump:2.81336 Ang F6.CE2 and T10.O other bump:2.29417 Ang F6.CG and T10.OG1 other bump:1.43334 Ang F6.CD1 and T10.OG1 other bump:1.28975 Ang F6.CE1 and T10.OG1 other bump:2.75543 Ang F6.CE2 and T10.OG1 other bump:2.10812 Ang F6.CZ and T10.OG1 other bump:2.29248 Ang F6.CE1 and T10.CG2 other bump:2.49796 Ang F6.CZ and T10.CG2 other bump:2.45775 Ang F6.CD1 and T10.CB other bump:3.07289 Ang F6.CD2 and T10.CB other bump:1.40528 Ang F6.CE1 and T10.CB other bump:2.32589 Ang F6.CE2 and T10.CB other bump:1.2923 Ang F6.CZ and T10.CB other bump:2.82582 Ang F6.CE1 and T10.CA other bump:2.44284 Ang F6.CE2 and T10.CA other bump:2.16571 Ang F6.CZ and T10.CA neighbor-bump: 2.57413 Ang L4.CD1 and I5.O T0187 48 :AGTDGTDGP 1jmxA 73 :SETDGVRYA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.60902 Ang G9.N and P10.CD other bump:2.20139 Ang T7.O and P10.CD other bump:2.95072 Ang T7.C and P10.CD T0187 63 :IVDGSTAKTLKAMGEDPYQYLKNNDSYNALKKSG 1jmxA 91 :QFDTQLSETCGRCHSGARVALQRRPAKEWEHLVN Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.75393 Ang E16.CD and P18.CD other bump:2.97641 Ang E16.CB and P18.CD other bump:1.78987 Ang E16.CG and P18.CD other bump:2.87473 Ang E16.C and P18.CD neighbor-bump: 2.2606 Ang D17.N and P18.CD other bump:2.11409 Ang E16.CD and P18.CG other bump:1.97795 Ang E16.OE2 and P18.CG other bump:2.11322 Ang E16.CG and P18.CG other bump:2.32237 Ang E16.CD and P18.CB other bump:2.80159 Ang E16.OE1 and P18.CB other bump:2.47676 Ang E16.OE2 and P18.CB other bump:2.7588 Ang E16.CG and P18.CB other bump:2.82713 Ang E16.CG and P18.N other bump:2.41285 Ang K12.CD and D17.C other bump:2.0035 Ang K12.CE and D17.C other bump:2.42178 Ang V3.CG2 and D17.OD2 other bump:2.08999 Ang K12.CG and D17.OD2 other bump:2.47734 Ang K12.CB and D17.OD2 other bump:0.560419 Ang K12.CG and D17.OD1 other bump:1.99906 Ang K12.CD and D17.OD1 other bump:2.53233 Ang K12.CA and D17.OD1 other bump:1.73989 Ang K12.CB and D17.OD1 other bump:1.05085 Ang K12.CG and D17.CG other bump:1.64163 Ang K12.CD and D17.CG other bump:2.05919 Ang K12.CE and D17.CG other bump:2.10916 Ang K12.NZ and D17.CG other bump:2.10981 Ang K12.CB and D17.CG other bump:2.05414 Ang K12.CG and D17.CB other bump:1.12619 Ang K12.CD and D17.CB other bump:0.678861 Ang K12.CE and D17.CB other bump:1.39379 Ang K12.NZ and D17.CB other bump:2.31481 Ang K12.CG and D17.CA other bump:0.947903 Ang K12.CD and D17.CA other bump:1.49353 Ang K12.CE and D17.CA other bump:2.84493 Ang K12.NZ and D17.CA other bump:2.84739 Ang K12.CG and D17.N other bump:1.62717 Ang K12.CD and D17.N other bump:2.71112 Ang K12.CE and D17.N other bump:2.73231 Ang K12.CD and E16.C other bump:1.98977 Ang V3.CG1 and K12.NZ other bump:2.96249 Ang V3.CG2 and K12.NZ T0187 97 :ALLITGPTG 1jmxA 132 :SLEYQAQAR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.10245 Ang L4.C and T9.CG2 other bump:2.65207 Ang L4.CA and T9.CG2 other bump:2.2516 Ang L3.O and T6.OG1 Number of specific fragments= 5 total=402 Number of alignments=89 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :K 1jmxA 3 :Q Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 10 :GGE 1jmxA 14 :GCH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 13 :TVV 1jmxA 18 :PEG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 1.62215 Ang V3.O and V4.CG2 neighbor-bump: 2.53803 Ang V3.C and V4.CG2 neighbor-bump: 2.16988 Ang V3.O and V4.CB neighbor-bump: 2.60174 Ang V3.C and V4.CB T0187 16 :HV 1jmxA 23 :TY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 18 :KGN 1jmxA 31 :RKT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 21 :GIGGRNQELALSAAIAL 1jmxA 49 :GLQISDDDRRTLVKYLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 38 :EGIEG 1jmxA 83 :ERRLN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 49 :GTDGTD 1jmxA 88 :TVEQFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 55 :GPTDAA 1jmxA 101 :GRCHSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 61 :GGIVDGSTAKTLK 1jmxA 111 :LQRRPAKEWEHLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 74 :AMG 1jmxA 139 :ARD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 79 :PYQYLKNND 1jmxA 153 :VPDLAKRYP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55378 Ang G1.O and Y5.CD1 T0187 88 :SYNALKKS 1jmxA 166 :AWAEWQKA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.22211 Ang Y3.CD1 and K7.NZ other bump:2.36696 Ang Y3.CE2 and K7.NZ other bump:1.06093 Ang Y3.CE1 and K7.NZ other bump:1.19937 Ang Y3.CZ and K7.NZ other bump:1.81759 Ang Y3.OH and K7.NZ other bump:2.22655 Ang Y3.CE1 and K7.CE other bump:2.50919 Ang Y3.CZ and K7.CE other bump:2.36605 Ang Y3.OH and K7.CE T0187 96 :GALLITG 1jmxA 177 :ADALPGQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.47137 Ang T7.CB and G8.N neighbor-bump: 2.00445 Ang T7.CG2 and G8.N self-bump: 2.2036 Ang T7.CB and T7.C self-bump: 2.42353 Ang T7.CG2 and T7.C self-bump: 1.26222 Ang T7.CA and T7.CB T0187 103 :PTGTNVNDLIIGLIV 1jmxA 191 :LAKGDVRGVMSVTPD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.70111 Ang I15.CG2 and V16.N neighbor-bump: 2.34581 Ang G4.O and T5.CG2 neighbor-bump: 2.93701 Ang G4.C and T5.CG2 neighbor-bump: 2.0644 Ang G4.O and T5.CB neighbor-bump: 2.54843 Ang G4.C and T5.CB Number of specific fragments= 15 total=417 Number of alignments=90 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :K 1jmxA 3 :Q Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 10 :GGE 1jmxA 14 :GCH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 13 :TVV 1jmxA 18 :PEG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 1.62215 Ang V3.O and V4.CG2 neighbor-bump: 2.53803 Ang V3.C and V4.CG2 neighbor-bump: 2.16988 Ang V3.O and V4.CB neighbor-bump: 2.60174 Ang V3.C and V4.CB T0187 16 :HV 1jmxA 23 :TY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 18 :KGN 1jmxA 31 :RKT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 21 :GIGGR 1jmxA 49 :GLQIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 26 :NQELALSAAIA 1jmxA 56 :DRRTLVKYLAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 38 :EGIEG 1jmxA 83 :ERRLN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 49 :GTDGTD 1jmxA 88 :TVEQFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 55 :GPTDAA 1jmxA 101 :GRCHSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 61 :GGIVDGSTAKTLK 1jmxA 111 :LQRRPAKEWEHLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 75 :MG 1jmxA 140 :RD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 79 :PYQYLKNND 1jmxA 153 :VPDLAKRYP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55378 Ang G1.O and Y5.CD1 T0187 88 :SYNALKKS 1jmxA 166 :AWAEWQKA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.22211 Ang Y3.CD1 and K7.NZ other bump:2.36696 Ang Y3.CE2 and K7.NZ other bump:1.06093 Ang Y3.CE1 and K7.NZ other bump:1.19937 Ang Y3.CZ and K7.NZ other bump:1.81759 Ang Y3.OH and K7.NZ other bump:2.22655 Ang Y3.CE1 and K7.CE other bump:2.50919 Ang Y3.CZ and K7.CE other bump:2.36605 Ang Y3.OH and K7.CE T0187 96 :GALLIT 1jmxA 177 :ADALPG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 1.69086 Ang I6.O and T7.CG2 neighbor-bump: 2.61476 Ang I6.C and T7.CG2 T0187 103 :PTGTNVNDLIIGLI 1jmxA 219 :ADGTPFNGSGSAIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.93666 Ang L10.C and I11.CG2 Number of specific fragments= 16 total=433 Number of alignments=91 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 4 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=434 Number of alignments=92 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :KPAALIFGGETVVHVKGNGIGGR 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=435 Number of alignments=93 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 4 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=436 Number of alignments=94 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :KPAALIFGGETVVHVKGNGIGGR 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=437 Number of alignments=95 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-local-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-local-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :KPAALIFGGETVVHVKGNGIGGR 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=438 Number of alignments=96 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-local-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-local-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :KPAALIFGGETVVHVKGNGIGGRNQ 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGKPD Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.67021 Ang K2.NZ and K17.CE other bump:2.61972 Ang K2.CE and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=439 Number of alignments=97 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-simpleSW-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :KPAALIFGGETVVHVKGNGIGGR 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=440 Number of alignments=98 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-simpleSW-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :KPAALIFGGETVVHVKGNGIGGRNQ 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGKPD Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.67021 Ang K2.NZ and K17.CE other bump:2.61972 Ang K2.CE and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=441 Number of alignments=99 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-vit-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-vit-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :KPAALIFGGETVVHVKGNGIGGR 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=442 Number of alignments=100 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-vit-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-vit-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :KPAALIFGGETVVHVKGNGIGGRNQ 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGKPD Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.67021 Ang K2.NZ and K17.CE other bump:2.61972 Ang K2.CE and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=443 Number of alignments=101 # Prefix for input files set to 1ex2A/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1ex2A-T0187-fssp-global-adpstyle1.pw.a2m.gz # 1ex2A read from 1ex2A-T0187-fssp-global-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :LKKPA 1ex2A 1 :MTKPL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.5673 Ang K2.CG and K3.N T0187 6 :ALIFGGETVVHVK 1ex2A 64 :AIVIGADTMVCLD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.11139 Ang H12.CD2 and G15.CA other bump:3.11212 Ang H12.ND1 and G15.CA other bump:1.80231 Ang H12.CE1 and G15.CA other bump:1.73611 Ang H12.NE2 and G15.CA other bump:2.93404 Ang H12.CD2 and G15.N other bump:2.18369 Ang H12.CE1 and G15.N other bump:1.81709 Ang H12.NE2 and G15.N T0187 20 :NGIGGRNQELALSAAIALEG 1ex2A 77 :GECLGKPQDQEEAASMLRRL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40772 Ang N8.CG and I17.CD1 other bump:2.1508 Ang N8.ND2 and I17.CD1 other bump:2.11438 Ang N8.OD1 and I17.CD1 other bump:3.1351 Ang N8.ND2 and I17.CG1 other bump:2.6688 Ang N8.OD1 and L13.CD2 other bump:2.64234 Ang N8.OD1 and L13.CG T0187 51 :DGTDGPTDAAGGIVDGSTAKTLKAMGEDPYQYLKNNDSYNAL 1ex2A 97 :SGRSHSVITAVSIQAENHSETFYDKTEVAFWSLSEEEIWTYI Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues self-bump: 1.36321 Ang N36.CA and N36.CB other bump:2.77023 Ang D2.OD2 and L34.C other bump:2.38273 Ang D2.OD2 and L34.CB other bump:2.36547 Ang D2.OD2 and L34.CA other bump:2.58016 Ang D2.CG and L34.N other bump:1.96284 Ang D2.OD2 and L34.N other bump:2.36156 Ang D2.OD1 and Y33.CD1 other bump:2.79436 Ang D2.OD1 and Y33.CA other bump:2.31475 Ang D5.OD1 and P30.CG other bump:2.22786 Ang D5.OD1 and P30.CB other bump:2.68558 Ang D5.OD1 and P30.CA other bump:2.45791 Ang D9.CG and M26.CE other bump:1.73163 Ang D9.OD1 and M26.CE other bump:2.821 Ang D9.CG and M26.SD other bump:1.81588 Ang D9.OD1 and M26.SD other bump:3.29091 Ang D9.OD2 and M26.SD neighbor-bump: 2.61512 Ang S18.C and T19.OG1 neighbor-bump: 2.24363 Ang S18.O and T19.OG1 T0187 93 :KKSGALLITGPTGTNVN 1ex2A 153 :QGRGALFVKKIDGDYYS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues self-bump: 1.39309 Ang N16.CA and N16.CB neighbor-bump: 1.92397 Ang G11.C and P12.CD neighbor-bump: 2.46901 Ang G11.CA and P12.CD neighbor-bump: 2.47934 Ang K3.CB and S4.N self-bump: 2.19697 Ang K3.CB and K3.C self-bump: 1.27381 Ang K3.CA and K3.CB T0187 112 :IIGLIV 1ex2A 170 :VMGLPI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 6 total=449 Number of alignments=102 # Reading fragments from alignment file # T0187 read from 1ex2A-T0187-fssp-global-adpstyle5.pw.a2m.gz # 1ex2A read from 1ex2A-T0187-fssp-global-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :LKKPAALIFGGETV 1ex2A 1 :MTKPLILASQSPRR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.5502 Ang I8.O and F9.CD1 neighbor-bump: 2.4467 Ang I8.O and F9.CG neighbor-bump: 2.5673 Ang K2.CG and K3.N T0187 15 :VHVKGNG 1ex2A 28 :IVSEVEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 22 :IGGRNQELALSAAIALEGIEG 1ex2A 42 :PEENVQWLAKQKAKAVADLHP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues T0187 43 :VILC 1ex2A 66 :VIGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 47 :SAGTDG 1ex2A 76 :DGECLG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.64308 Ang S2.C and A3.CB T0187 53 :TDGPTDAAGGIVDGSTAKTLKAMG 1ex2A 99 :RSHSVITAVSIQAENHSETFYDKT Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.45791 Ang D7.CG and M24.CE other bump:1.73163 Ang D7.OD1 and M24.CE other bump:2.821 Ang D7.CG and M24.SD other bump:1.81588 Ang D7.OD1 and M24.SD other bump:3.29091 Ang D7.OD2 and M24.SD neighbor-bump: 2.24363 Ang S16.O and T17.OG1 neighbor-bump: 2.61512 Ang S16.C and T17.OG1 T0187 77 :EDPYQYLKNND 1ex2A 132 :EEIWTYIETKE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.51956 Ang Q6.CD and K9.NZ other bump:1.59311 Ang Q6.OE1 and K9.NZ other bump:2.32147 Ang Q6.OE1 and K9.CE other bump:3.17918 Ang G1.C and P4.CD T0187 91 :ALKKSGALLITGPTGTNVND 1ex2A 143 :PMDKAGAYGIQGRGALFVKK Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 2.24279 Ang N20.OD1 and D21.N other bump:1.87727 Ang L10.O and T15.CG2 other bump:2.80845 Ang L9.CD2 and T15.CG2 other bump:2.699 Ang L10.C and T15.CG2 other bump:2.64438 Ang L10.N and T15.CG2 other bump:1.87462 Ang L10.O and T15.CB other bump:2.98709 Ang L10.C and T15.CB other bump:3.06522 Ang L10.N and T15.CB neighbor-bump: 2.97586 Ang T12.CG2 and G13.CA neighbor-bump: 1.72463 Ang T12.CG2 and G13.N neighbor-bump: 2.42976 Ang T12.CB and G13.N self-bump: 2.36183 Ang T12.CG2 and T12.C self-bump: 2.18051 Ang T12.CB and T12.C self-bump: 1.24559 Ang T12.CA and T12.CB other bump:2.7568 Ang K5.CD and L10.CD2 other bump:3.08256 Ang K5.CG and L10.CD2 other bump:2.23059 Ang K5.NZ and L10.CD1 other bump:1.83461 Ang K5.CD and L10.CD1 other bump:0.892694 Ang K5.CE and L10.CD1 other bump:2.6916 Ang K5.CG and L10.CD1 other bump:1.62681 Ang K5.CD and L10.CG other bump:1.96445 Ang K5.CE and L10.CG other bump:2.65212 Ang K5.CG and L10.CG other bump:2.79088 Ang K5.CD and L10.CB other bump:2.84619 Ang K5.CE and L10.CB self-bump: 1.36954 Ang S6.CA and S6.CB T0187 112 :IIGLI 1ex2A 170 :VMGLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 9 total=458 Number of alignments=103 # Reading fragments from alignment file # T0187 read from 1ex2A-T0187-local-adpstyle1.pw.a2m.gz # 1ex2A read from 1ex2A-T0187-local-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 87 :DSYNALKKSGALLITGPTGTNVNDL 1ex2A 139 :ETKEPMDKAGAYGIQGRGALFVKKI Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 1.93313 Ang N24.OD1 and D25.OD1 neighbor-bump: 2.24279 Ang N24.OD1 and D25.N other bump:1.87727 Ang L14.O and T19.CG2 other bump:2.699 Ang L14.C and T19.CG2 other bump:2.80845 Ang L13.CD2 and T19.CG2 other bump:2.64438 Ang L14.N and T19.CG2 other bump:1.87462 Ang L14.O and T19.CB other bump:2.98709 Ang L14.C and T19.CB other bump:3.06522 Ang L14.N and T19.CB neighbor-bump: 2.97586 Ang T16.CG2 and G17.CA neighbor-bump: 2.42976 Ang T16.CB and G17.N neighbor-bump: 1.72463 Ang T16.CG2 and G17.N self-bump: 2.18051 Ang T16.CB and T16.C self-bump: 2.36183 Ang T16.CG2 and T16.C self-bump: 1.24559 Ang T16.CA and T16.CB other bump:2.7568 Ang K9.CD and L14.CD2 other bump:3.08256 Ang K9.CG and L14.CD2 other bump:1.83461 Ang K9.CD and L14.CD1 other bump:0.892694 Ang K9.CE and L14.CD1 other bump:2.23059 Ang K9.NZ and L14.CD1 other bump:2.6916 Ang K9.CG and L14.CD1 other bump:1.62681 Ang K9.CD and L14.CG other bump:1.96445 Ang K9.CE and L14.CG other bump:2.65212 Ang K9.CG and L14.CG other bump:2.79088 Ang K9.CD and L14.CB other bump:2.84619 Ang K9.CE and L14.CB self-bump: 1.36954 Ang S10.CA and S10.CB Number of specific fragments= 1 total=459 Number of alignments=104 # Reading fragments from alignment file # T0187 read from 1ex2A-T0187-local-adpstyle5.pw.a2m.gz # 1ex2A read from 1ex2A-T0187-local-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 6 :ALIFGGETVVHVKGNGIGG 1ex2A 64 :AIVIGADTMVCLDGECLGK Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.60838 Ang H12.ND1 and N16.C other bump:3.11507 Ang H12.CE1 and N16.C other bump:2.48385 Ang H12.ND1 and N16.O other bump:3.10212 Ang H12.ND1 and N16.CA other bump:2.93438 Ang H12.CE1 and N16.CA other bump:2.58755 Ang H12.ND1 and N16.N other bump:1.883 Ang H12.CE1 and N16.N other bump:2.49167 Ang H12.ND1 and G15.C other bump:1.40134 Ang H12.CE1 and G15.C other bump:2.33254 Ang H12.NE2 and G15.C other bump:2.11022 Ang H12.CE1 and G15.O other bump:3.11139 Ang H12.CD2 and G15.CA other bump:3.11212 Ang H12.ND1 and G15.CA other bump:1.80231 Ang H12.CE1 and G15.CA other bump:1.73611 Ang H12.NE2 and G15.CA other bump:2.93404 Ang H12.CD2 and G15.N other bump:2.18369 Ang H12.CE1 and G15.N other bump:1.81709 Ang H12.NE2 and G15.N T0187 25 :RNQELALSAAIALEGIEGVILCS 1ex2A 84 :QDQEEAASMLRRLSGRSHSVITA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:3.00707 Ang V20.CG1 and L22.CD2 other bump:2.58211 Ang A13.O and I17.CD1 T0187 60 :AGGIVDGSTAKTLKAMGEDPYQYLKN 1ex2A 115 :SETFYDKTEVAFWSLSEEEIWTYIET Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.51956 Ang Q23.CD and K26.NZ other bump:1.59311 Ang Q23.OE1 and K26.NZ other bump:2.32147 Ang Q23.OE1 and K26.CE other bump:1.22823 Ang M17.O and P21.CD other bump:2.46045 Ang M17.C and P21.CD other bump:3.17918 Ang G18.C and P21.CD other bump:2.1812 Ang M17.O and P21.CG other bump:3.2104 Ang M17.C and P21.CG other bump:2.16309 Ang M17.CE and E19.OE2 other bump:3.1174 Ang M17.SD and E19.OE1 other bump:1.78658 Ang M17.CE and E19.OE1 other bump:1.82716 Ang M17.CE and E19.CD other bump:2.84887 Ang M17.CE and E19.CG T0187 89 :YNALKKSGALLITGPTGTNVN 1ex2A 141 :KEPMDKAGAYGIQGRGALFVK Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues self-bump: 1.38175 Ang N22.CA and N22.CB other bump:1.87727 Ang L12.O and T17.CG2 other bump:2.699 Ang L12.C and T17.CG2 other bump:2.80845 Ang L11.CD2 and T17.CG2 other bump:2.64438 Ang L12.N and T17.CG2 other bump:1.87462 Ang L12.O and T17.CB other bump:2.98709 Ang L12.C and T17.CB other bump:3.06522 Ang L12.N and T17.CB neighbor-bump: 2.97586 Ang T14.CG2 and G15.CA neighbor-bump: 2.42976 Ang T14.CB and G15.N neighbor-bump: 1.72463 Ang T14.CG2 and G15.N self-bump: 2.18051 Ang T14.CB and T14.C self-bump: 2.36183 Ang T14.CG2 and T14.C self-bump: 1.24559 Ang T14.CA and T14.CB other bump:2.7568 Ang K7.CD and L12.CD2 other bump:3.08256 Ang K7.CG and L12.CD2 other bump:1.83461 Ang K7.CD and L12.CD1 other bump:0.892694 Ang K7.CE and L12.CD1 other bump:2.23059 Ang K7.NZ and L12.CD1 other bump:2.6916 Ang K7.CG and L12.CD1 other bump:1.62681 Ang K7.CD and L12.CG other bump:1.96445 Ang K7.CE and L12.CG other bump:2.65212 Ang K7.CG and L12.CG other bump:2.79088 Ang K7.CD and L12.CB other bump:2.84619 Ang K7.CE and L12.CB self-bump: 1.36954 Ang S8.CA and S8.CB Number of specific fragments= 4 total=463 Number of alignments=105 # Reading fragments from alignment file # T0187 read from 1ex2A-T0187-vit-adpstyle1.pw.a2m.gz # 1ex2A read from 1ex2A-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 87 :DSYNALKKSGALLITGPTGTNVNDL 1ex2A 139 :ETKEPMDKAGAYGIQGRGALFVKKI Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 1.93313 Ang N24.OD1 and D25.OD1 neighbor-bump: 2.24279 Ang N24.OD1 and D25.N other bump:1.87727 Ang L14.O and T19.CG2 other bump:2.699 Ang L14.C and T19.CG2 other bump:2.80845 Ang L13.CD2 and T19.CG2 other bump:2.64438 Ang L14.N and T19.CG2 other bump:1.87462 Ang L14.O and T19.CB other bump:2.98709 Ang L14.C and T19.CB other bump:3.06522 Ang L14.N and T19.CB neighbor-bump: 2.97586 Ang T16.CG2 and G17.CA neighbor-bump: 2.42976 Ang T16.CB and G17.N neighbor-bump: 1.72463 Ang T16.CG2 and G17.N self-bump: 2.18051 Ang T16.CB and T16.C self-bump: 2.36183 Ang T16.CG2 and T16.C self-bump: 1.24559 Ang T16.CA and T16.CB other bump:2.7568 Ang K9.CD and L14.CD2 other bump:3.08256 Ang K9.CG and L14.CD2 other bump:1.83461 Ang K9.CD and L14.CD1 other bump:0.892694 Ang K9.CE and L14.CD1 other bump:2.23059 Ang K9.NZ and L14.CD1 other bump:2.6916 Ang K9.CG and L14.CD1 other bump:1.62681 Ang K9.CD and L14.CG other bump:1.96445 Ang K9.CE and L14.CG other bump:2.65212 Ang K9.CG and L14.CG other bump:2.79088 Ang K9.CD and L14.CB other bump:2.84619 Ang K9.CE and L14.CB self-bump: 1.36954 Ang S10.CA and S10.CB Number of specific fragments= 1 total=464 Number of alignments=106 # Reading fragments from alignment file # T0187 read from 1ex2A-T0187-vit-adpstyle5.pw.a2m.gz # 1ex2A read from 1ex2A-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 6 :ALIFGGETVVHVKGNGIGG 1ex2A 64 :AIVIGADTMVCLDGECLGK Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.60838 Ang H12.ND1 and N16.C other bump:3.11507 Ang H12.CE1 and N16.C other bump:2.48385 Ang H12.ND1 and N16.O other bump:3.10212 Ang H12.ND1 and N16.CA other bump:2.93438 Ang H12.CE1 and N16.CA other bump:2.58755 Ang H12.ND1 and N16.N other bump:1.883 Ang H12.CE1 and N16.N other bump:2.49167 Ang H12.ND1 and G15.C other bump:1.40134 Ang H12.CE1 and G15.C other bump:2.33254 Ang H12.NE2 and G15.C other bump:2.11022 Ang H12.CE1 and G15.O other bump:3.11139 Ang H12.CD2 and G15.CA other bump:3.11212 Ang H12.ND1 and G15.CA other bump:1.80231 Ang H12.CE1 and G15.CA other bump:1.73611 Ang H12.NE2 and G15.CA other bump:2.93404 Ang H12.CD2 and G15.N other bump:2.18369 Ang H12.CE1 and G15.N other bump:1.81709 Ang H12.NE2 and G15.N T0187 25 :RNQELALSAAIALEGIEGVILCS 1ex2A 84 :QDQEEAASMLRRLSGRSHSVITA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:3.00707 Ang V20.CG1 and L22.CD2 other bump:2.58211 Ang A13.O and I17.CD1 T0187 60 :AGGIVDGSTAKTLKAMGEDPYQYLKN 1ex2A 115 :SETFYDKTEVAFWSLSEEEIWTYIET Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.51956 Ang Q23.CD and K26.NZ other bump:1.59311 Ang Q23.OE1 and K26.NZ other bump:2.32147 Ang Q23.OE1 and K26.CE other bump:1.22823 Ang M17.O and P21.CD other bump:2.46045 Ang M17.C and P21.CD other bump:3.17918 Ang G18.C and P21.CD other bump:2.1812 Ang M17.O and P21.CG other bump:3.2104 Ang M17.C and P21.CG other bump:2.16309 Ang M17.CE and E19.OE2 other bump:3.1174 Ang M17.SD and E19.OE1 other bump:1.78658 Ang M17.CE and E19.OE1 other bump:1.82716 Ang M17.CE and E19.CD other bump:2.84887 Ang M17.CE and E19.CG T0187 89 :YNALKKSGALLITGPTGTNVN 1ex2A 141 :KEPMDKAGAYGIQGRGALFVK Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues self-bump: 1.38175 Ang N22.CA and N22.CB other bump:1.87727 Ang L12.O and T17.CG2 other bump:2.699 Ang L12.C and T17.CG2 other bump:2.80845 Ang L11.CD2 and T17.CG2 other bump:2.64438 Ang L12.N and T17.CG2 other bump:1.87462 Ang L12.O and T17.CB other bump:2.98709 Ang L12.C and T17.CB other bump:3.06522 Ang L12.N and T17.CB neighbor-bump: 2.97586 Ang T14.CG2 and G15.CA neighbor-bump: 2.42976 Ang T14.CB and G15.N neighbor-bump: 1.72463 Ang T14.CG2 and G15.N self-bump: 2.18051 Ang T14.CB and T14.C self-bump: 2.36183 Ang T14.CG2 and T14.C self-bump: 1.24559 Ang T14.CA and T14.CB other bump:2.7568 Ang K7.CD and L12.CD2 other bump:3.08256 Ang K7.CG and L12.CD2 other bump:1.83461 Ang K7.CD and L12.CD1 other bump:0.892694 Ang K7.CE and L12.CD1 other bump:2.23059 Ang K7.NZ and L12.CD1 other bump:2.6916 Ang K7.CG and L12.CD1 other bump:1.62681 Ang K7.CD and L12.CG other bump:1.96445 Ang K7.CE and L12.CG other bump:2.65212 Ang K7.CG and L12.CG other bump:2.79088 Ang K7.CD and L12.CB other bump:2.84619 Ang K7.CE and L12.CB self-bump: 1.36954 Ang S8.CA and S8.CB Number of specific fragments= 4 total=468 Number of alignments=107 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :LKKPAAL 1ex2A 1 :MTKPLIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.5673 Ang K2.CG and K3.N T0187 8 :IFGGETVVHVKGN 1ex2A 66 :VIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.60838 Ang H10.ND1 and N14.C other bump:3.11507 Ang H10.CE1 and N14.C other bump:2.48385 Ang H10.ND1 and N14.O other bump:3.10212 Ang H10.ND1 and N14.CA other bump:2.93438 Ang H10.CE1 and N14.CA other bump:2.58755 Ang H10.ND1 and N14.N other bump:1.883 Ang H10.CE1 and N14.N other bump:2.49167 Ang H10.ND1 and G13.C other bump:1.40134 Ang H10.CE1 and G13.C other bump:2.33254 Ang H10.NE2 and G13.C other bump:2.11022 Ang H10.CE1 and G13.O other bump:3.11139 Ang H10.CD2 and G13.CA other bump:3.11212 Ang H10.ND1 and G13.CA other bump:1.80231 Ang H10.CE1 and G13.CA other bump:1.73611 Ang H10.NE2 and G13.CA other bump:2.93404 Ang H10.CD2 and G13.N other bump:2.18369 Ang H10.CE1 and G13.N other bump:1.81709 Ang H10.NE2 and G13.N T0187 21 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 24 :GRNQELALSAAIALEGIEGVILCSA 1ex2A 83 :PQDQEEAASMLRRLSGRSHSVITAV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.00707 Ang V21.CG1 and L23.CD2 other bump:2.58211 Ang A14.O and I18.CD1 T0187 49 :GTDGTDGPTDAAGGIVDGST 1ex2A 148 :GAYGIQGRGALFVKKIDGDY Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.41836 Ang D7.CB and D11.OD2 other bump:2.16667 Ang D7.CG and D11.OD2 other bump:2.12606 Ang D7.OD1 and D11.OD2 other bump:2.17802 Ang D7.OD1 and D11.OD1 other bump:1.09944 Ang T6.O and D11.OD1 other bump:2.4972 Ang D7.CA and D11.OD1 other bump:1.86272 Ang T6.C and D11.OD1 other bump:2.99372 Ang D7.CB and D11.CG other bump:2.82366 Ang D7.CG and D11.CG other bump:2.26987 Ang D7.OD1 and D11.CG other bump:2.21134 Ang T6.O and D11.CG other bump:3.03821 Ang D7.CA and D11.CG other bump:3.25843 Ang D7.C and D11.CG other bump:3.09786 Ang T6.C and D11.CG other bump:2.69899 Ang G5.C and T10.CG2 other bump:1.87726 Ang G5.O and T10.CG2 other bump:2.64438 Ang G5.N and T10.CG2 other bump:2.98708 Ang G5.C and T10.CB other bump:1.87461 Ang G5.O and T10.CB other bump:3.06523 Ang G5.N and T10.CB neighbor-bump: 2.37402 Ang D7.CB and G8.N self-bump: 2.14372 Ang D7.CB and D7.C self-bump: 1.24998 Ang D7.CA and D7.CB T0187 72 :LKAMGEDPYQYLKNNDS 1ex2A 168 :YSVMGLPISKTMRALRH Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.77393 Ang Y12.CD1 and N16.ND2 other bump:2.13909 Ang Y12.CE1 and N16.ND2 other bump:2.78591 Ang Y12.CZ and N16.ND2 other bump:2.96137 Ang L2.CB and P9.CD other bump:1.87773 Ang E7.O and P9.CD other bump:2.82893 Ang E7.C and P9.CD other bump:2.03683 Ang K3.CG and D8.OD2 other bump:1.86404 Ang K3.CD and D8.OD2 other bump:1.32902 Ang K3.CE and D8.OD2 other bump:1.17999 Ang K3.NZ and D8.OD2 other bump:2.36092 Ang K3.CA and D8.OD1 other bump:1.50683 Ang K3.CB and D8.OD1 other bump:0.305376 Ang K3.CG and D8.OD1 other bump:1.8193 Ang K3.CD and D8.OD1 other bump:2.60277 Ang K3.CB and D8.CG other bump:1.19488 Ang K3.CG and D8.CG other bump:1.81999 Ang K3.CD and D8.CG other bump:1.94708 Ang K3.CE and D8.CG other bump:2.42048 Ang K3.NZ and D8.CG other bump:2.44692 Ang K3.CG and D8.CB other bump:3.05615 Ang K3.CD and D8.CB other bump:2.78566 Ang K3.CE and D8.CB other bump:3.04598 Ang K3.CG and D8.CA Number of specific fragments= 6 total=474 Number of alignments=108 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :LKKPAAL 1ex2A 1 :MTKPLIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.5673 Ang K2.CG and K3.N T0187 8 :IFGGETVVHVKGN 1ex2A 66 :VIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.60838 Ang H10.ND1 and N14.C other bump:3.11507 Ang H10.CE1 and N14.C other bump:2.48385 Ang H10.ND1 and N14.O other bump:3.10212 Ang H10.ND1 and N14.CA other bump:2.93438 Ang H10.CE1 and N14.CA other bump:2.58755 Ang H10.ND1 and N14.N other bump:1.883 Ang H10.CE1 and N14.N other bump:2.49167 Ang H10.ND1 and G13.C other bump:1.40134 Ang H10.CE1 and G13.C other bump:2.33254 Ang H10.NE2 and G13.C other bump:2.11022 Ang H10.CE1 and G13.O other bump:3.11139 Ang H10.CD2 and G13.CA other bump:3.11212 Ang H10.ND1 and G13.CA other bump:1.80231 Ang H10.CE1 and G13.CA other bump:1.73611 Ang H10.NE2 and G13.CA other bump:2.93404 Ang H10.CD2 and G13.N other bump:2.18369 Ang H10.CE1 and G13.N other bump:1.81709 Ang H10.NE2 and G13.N T0187 21 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 24 :GRNQELALSAAIALEGIE 1ex2A 83 :PQDQEEAASMLRRLSGRS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.58211 Ang A14.O and I18.CD1 T0187 49 :GTDGTDGPTDAAGGIVDGSTA 1ex2A 148 :GAYGIQGRGALFVKKIDGDYY Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.41836 Ang D7.CB and D11.OD2 other bump:2.16667 Ang D7.CG and D11.OD2 other bump:2.12606 Ang D7.OD1 and D11.OD2 other bump:2.17802 Ang D7.OD1 and D11.OD1 other bump:1.09944 Ang T6.O and D11.OD1 other bump:2.4972 Ang D7.CA and D11.OD1 other bump:1.86272 Ang T6.C and D11.OD1 other bump:2.99372 Ang D7.CB and D11.CG other bump:2.82366 Ang D7.CG and D11.CG other bump:2.26987 Ang D7.OD1 and D11.CG other bump:2.21134 Ang T6.O and D11.CG other bump:3.03821 Ang D7.CA and D11.CG other bump:3.25843 Ang D7.C and D11.CG other bump:3.09786 Ang T6.C and D11.CG other bump:2.69899 Ang G5.C and T10.CG2 other bump:1.87726 Ang G5.O and T10.CG2 other bump:2.64438 Ang G5.N and T10.CG2 other bump:2.98708 Ang G5.C and T10.CB other bump:1.87461 Ang G5.O and T10.CB other bump:3.06523 Ang G5.N and T10.CB neighbor-bump: 2.37402 Ang D7.CB and G8.N self-bump: 2.14372 Ang D7.CB and D7.C self-bump: 1.24998 Ang D7.CA and D7.CB T0187 73 :KAMGEDPYQYLK 1ex2A 169 :SVMGLPISKTMR Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.4325 Ang K2.CE and Q10.OE1 other bump:1.87773 Ang E6.O and P8.CD other bump:2.82893 Ang E6.C and P8.CD other bump:2.03909 Ang K2.CE and D7.OD2 other bump:2.11321 Ang K2.CG and D7.OD2 other bump:1.70621 Ang K2.CD and D7.OD2 other bump:2.36092 Ang K2.CA and D7.OD1 other bump:1.44771 Ang K2.CB and D7.OD1 other bump:0.247679 Ang K2.CG and D7.OD1 other bump:1.76307 Ang K2.CD and D7.OD1 other bump:2.00882 Ang K2.CE and D7.CG other bump:2.55273 Ang K2.CB and D7.CG other bump:1.2142 Ang K2.CG and D7.CG other bump:1.65536 Ang K2.CD and D7.CG other bump:2.39616 Ang K2.CE and D7.CB other bump:2.40297 Ang K2.CG and D7.CB other bump:2.87668 Ang K2.CD and D7.CB other bump:2.97113 Ang K2.CG and D7.CA T0187 94 :KSGA 1ex2A 181 :ALRH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 7 total=481 Number of alignments=109 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 7 :LIFGGETVVHVKGN 1ex2A 65 :IVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.60838 Ang H11.ND1 and N15.C other bump:3.11507 Ang H11.CE1 and N15.C other bump:2.48385 Ang H11.ND1 and N15.O other bump:3.10212 Ang H11.ND1 and N15.CA other bump:2.93438 Ang H11.CE1 and N15.CA other bump:2.58755 Ang H11.ND1 and N15.N other bump:1.883 Ang H11.CE1 and N15.N other bump:2.49167 Ang H11.ND1 and G14.C other bump:1.40134 Ang H11.CE1 and G14.C other bump:2.33254 Ang H11.NE2 and G14.C other bump:2.11022 Ang H11.CE1 and G14.O other bump:3.11139 Ang H11.CD2 and G14.CA other bump:3.11212 Ang H11.ND1 and G14.CA other bump:1.80231 Ang H11.CE1 and G14.CA other bump:1.73611 Ang H11.NE2 and G14.CA other bump:2.93404 Ang H11.CD2 and G14.N other bump:2.18369 Ang H11.CE1 and G14.N other bump:1.81709 Ang H11.NE2 and G14.N T0187 21 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 24 :GRNQELALSAAIALEGIEGVILCSAG 1ex2A 83 :PQDQEEAASMLRRLSGRSHSVITAVS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.00707 Ang V21.CG1 and L23.CD2 other bump:2.58211 Ang A14.O and I18.CD1 Number of specific fragments= 3 total=484 Number of alignments=110 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 6 :ALIFGGETVVHVKGN 1ex2A 64 :AIVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.60838 Ang H12.ND1 and N16.C other bump:3.11507 Ang H12.CE1 and N16.C other bump:2.48385 Ang H12.ND1 and N16.O other bump:3.10212 Ang H12.ND1 and N16.CA other bump:2.93438 Ang H12.CE1 and N16.CA other bump:2.58755 Ang H12.ND1 and N16.N other bump:1.883 Ang H12.CE1 and N16.N other bump:2.49167 Ang H12.ND1 and G15.C other bump:1.40134 Ang H12.CE1 and G15.C other bump:2.33254 Ang H12.NE2 and G15.C other bump:2.11022 Ang H12.CE1 and G15.O other bump:3.11212 Ang H12.ND1 and G15.CA other bump:3.11139 Ang H12.CD2 and G15.CA other bump:1.80231 Ang H12.CE1 and G15.CA other bump:1.73611 Ang H12.NE2 and G15.CA other bump:2.93404 Ang H12.CD2 and G15.N other bump:2.18369 Ang H12.CE1 and G15.N other bump:1.81709 Ang H12.NE2 and G15.N T0187 21 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 24 :GRNQELALSAAIALEGIEGVILCSAG 1ex2A 83 :PQDQEEAASMLRRLSGRSHSVITAVS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.00707 Ang V21.CG1 and L23.CD2 other bump:2.58211 Ang A14.O and I18.CD1 Number of specific fragments= 3 total=487 Number of alignments=111 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :LKKPAAL 1ex2A 1 :MTKPLIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.5673 Ang K2.CG and K3.N T0187 8 :IFGGETVVHVKGN 1ex2A 66 :VIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.60838 Ang H10.ND1 and N14.C other bump:3.11507 Ang H10.CE1 and N14.C other bump:2.48385 Ang H10.ND1 and N14.O other bump:3.10212 Ang H10.ND1 and N14.CA other bump:2.93438 Ang H10.CE1 and N14.CA other bump:2.58755 Ang H10.ND1 and N14.N other bump:1.883 Ang H10.CE1 and N14.N other bump:2.49167 Ang H10.ND1 and G13.C other bump:1.40134 Ang H10.CE1 and G13.C other bump:2.33254 Ang H10.NE2 and G13.C other bump:2.11022 Ang H10.CE1 and G13.O other bump:3.11139 Ang H10.CD2 and G13.CA other bump:3.11212 Ang H10.ND1 and G13.CA other bump:1.80231 Ang H10.CE1 and G13.CA other bump:1.73611 Ang H10.NE2 and G13.CA other bump:2.93404 Ang H10.CD2 and G13.N other bump:2.18369 Ang H10.CE1 and G13.N other bump:1.81709 Ang H10.NE2 and G13.N T0187 21 :GIG 1ex2A 81 :GKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 25 :RNQELALSAAIALEGIEGVILCSA 1ex2A 84 :QDQEEAASMLRRLSGRSHSVITAV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:3.00707 Ang V20.CG1 and L22.CD2 other bump:2.58211 Ang A13.O and I17.CD1 T0187 49 :GTDGTDGPTDAAGGIVDGSTAKTLKAMGEDPYQYLKN 1ex2A 148 :GAYGIQGRGALFVKKIDGDYYSVMGLPISKTMRALRH Fragment has 51 clashes (null) has 51 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.70771 Ang Y33.CZ and K37.NZ other bump:2.67742 Ang Y33.CD2 and K37.NZ other bump:1.85298 Ang Y33.CE2 and K37.NZ other bump:2.65845 Ang D31.O and Y35.CD1 other bump:3.30278 Ang G29.CA and P32.CD other bump:2.96511 Ang G29.C and P32.CD other bump:1.47842 Ang M28.O and P32.CD other bump:2.67162 Ang M28.C and P32.CD other bump:1.96469 Ang M28.O and P32.CG other bump:2.93751 Ang M28.C and P32.CG other bump:2.35249 Ang M28.SD and D31.OD2 other bump:2.9792 Ang M28.SD and D31.CG other bump:1.00624 Ang K23.CE and M28.CE other bump:2.87046 Ang K23.CG and M28.CE other bump:1.4758 Ang K23.CD and M28.CE other bump:0.994773 Ang K23.NZ and M28.CE other bump:1.236 Ang K23.CE and M28.SD other bump:2.76321 Ang K23.CD and M28.SD other bump:1.53272 Ang K23.NZ and M28.SD other bump:1.83601 Ang K23.CE and M28.CG other bump:3.01462 Ang K23.CG and M28.CG other bump:2.94073 Ang K23.CD and M28.CG other bump:2.46145 Ang K23.CE and M28.CB other bump:2.51585 Ang K23.CG and M28.CB other bump:2.97171 Ang K23.CD and M28.CB other bump:2.97112 Ang K23.CG and M28.CA neighbor-bump: 1.68073 Ang L25.O and K26.CG neighbor-bump: 2.51343 Ang L25.C and K26.CG other bump:2.41836 Ang D7.CB and D11.OD2 other bump:2.16667 Ang D7.CG and D11.OD2 other bump:2.12606 Ang D7.OD1 and D11.OD2 other bump:2.4972 Ang D7.CA and D11.OD1 other bump:2.17802 Ang D7.OD1 and D11.OD1 other bump:1.09944 Ang T6.O and D11.OD1 other bump:1.86272 Ang T6.C and D11.OD1 other bump:3.03821 Ang D7.CA and D11.CG other bump:2.99372 Ang D7.CB and D11.CG other bump:2.82366 Ang D7.CG and D11.CG other bump:2.26987 Ang D7.OD1 and D11.CG other bump:2.21134 Ang T6.O and D11.CG other bump:3.09786 Ang T6.C and D11.CG other bump:3.25843 Ang D7.C and D11.CG other bump:1.87726 Ang G5.O and T10.CG2 other bump:2.69899 Ang G5.C and T10.CG2 other bump:2.64438 Ang G5.N and T10.CG2 other bump:1.87461 Ang G5.O and T10.CB other bump:2.98708 Ang G5.C and T10.CB other bump:3.06523 Ang G5.N and T10.CB neighbor-bump: 2.37402 Ang D7.CB and G8.N self-bump: 2.14372 Ang D7.CB and D7.C self-bump: 1.24998 Ang D7.CA and D7.CB Number of specific fragments= 5 total=492 Number of alignments=112 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :LKKPAAL 1ex2A 1 :MTKPLIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.5673 Ang K2.CG and K3.N T0187 8 :IFGGETVVHVKGN 1ex2A 66 :VIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.60838 Ang H10.ND1 and N14.C other bump:3.11507 Ang H10.CE1 and N14.C other bump:2.48385 Ang H10.ND1 and N14.O other bump:3.10212 Ang H10.ND1 and N14.CA other bump:2.93438 Ang H10.CE1 and N14.CA other bump:2.58755 Ang H10.ND1 and N14.N other bump:1.883 Ang H10.CE1 and N14.N other bump:2.49167 Ang H10.ND1 and G13.C other bump:1.40134 Ang H10.CE1 and G13.C other bump:2.33254 Ang H10.NE2 and G13.C other bump:2.11022 Ang H10.CE1 and G13.O other bump:3.11139 Ang H10.CD2 and G13.CA other bump:3.11212 Ang H10.ND1 and G13.CA other bump:1.80231 Ang H10.CE1 and G13.CA other bump:1.73611 Ang H10.NE2 and G13.CA other bump:2.93404 Ang H10.CD2 and G13.N other bump:2.18369 Ang H10.CE1 and G13.N other bump:1.81709 Ang H10.NE2 and G13.N T0187 21 :GIG 1ex2A 81 :GKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 25 :RNQELALSAAIALEGIE 1ex2A 84 :QDQEEAASMLRRLSGRS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.58211 Ang A13.O and I17.CD1 T0187 49 :GTDGTDGPTDAAGGIVDGSTA 1ex2A 148 :GAYGIQGRGALFVKKIDGDYY Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.41836 Ang D7.CB and D11.OD2 other bump:2.16667 Ang D7.CG and D11.OD2 other bump:2.12606 Ang D7.OD1 and D11.OD2 other bump:2.17802 Ang D7.OD1 and D11.OD1 other bump:1.09944 Ang T6.O and D11.OD1 other bump:2.4972 Ang D7.CA and D11.OD1 other bump:1.86272 Ang T6.C and D11.OD1 other bump:2.99372 Ang D7.CB and D11.CG other bump:2.82366 Ang D7.CG and D11.CG other bump:2.26987 Ang D7.OD1 and D11.CG other bump:2.21134 Ang T6.O and D11.CG other bump:3.03821 Ang D7.CA and D11.CG other bump:3.25843 Ang D7.C and D11.CG other bump:3.09786 Ang T6.C and D11.CG other bump:2.69899 Ang G5.C and T10.CG2 other bump:1.87726 Ang G5.O and T10.CG2 other bump:2.64438 Ang G5.N and T10.CG2 other bump:2.98708 Ang G5.C and T10.CB other bump:1.87461 Ang G5.O and T10.CB other bump:3.06523 Ang G5.N and T10.CB neighbor-bump: 2.37402 Ang D7.CB and G8.N self-bump: 2.14372 Ang D7.CB and D7.C self-bump: 1.24998 Ang D7.CA and D7.CB T0187 73 :KAMGEDPYQYLKN 1ex2A 169 :SVMGLPISKTMRA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.4325 Ang K2.CE and Q10.OE1 other bump:1.87773 Ang E6.O and P8.CD other bump:2.82893 Ang E6.C and P8.CD other bump:2.11321 Ang K2.CG and D7.OD2 other bump:1.70621 Ang K2.CD and D7.OD2 other bump:2.03909 Ang K2.CE and D7.OD2 other bump:2.36092 Ang K2.CA and D7.OD1 other bump:1.44771 Ang K2.CB and D7.OD1 other bump:0.247679 Ang K2.CG and D7.OD1 other bump:1.76307 Ang K2.CD and D7.OD1 other bump:2.55273 Ang K2.CB and D7.CG other bump:1.2142 Ang K2.CG and D7.CG other bump:1.65536 Ang K2.CD and D7.CG other bump:2.00882 Ang K2.CE and D7.CG other bump:2.40297 Ang K2.CG and D7.CB other bump:2.87668 Ang K2.CD and D7.CB other bump:2.39616 Ang K2.CE and D7.CB other bump:2.97113 Ang K2.CG and D7.CA T0187 92 :LKK 1ex2A 182 :LRH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 7 total=499 Number of alignments=113 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 4 :PAALIFGGETVVHVKGN 1ex2A 62 :PHAIVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N T0187 21 :GIG 1ex2A 81 :GKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 25 :RNQELALSAAIALEGIEGVILCSAG 1ex2A 84 :QDQEEAASMLRRLSGRSHSVITAVS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.00707 Ang V20.CG1 and L22.CD2 other bump:2.58211 Ang A13.O and I17.CD1 Number of specific fragments= 3 total=502 Number of alignments=114 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 4 :PAALIFGGETVVHVKGN 1ex2A 62 :PHAIVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N T0187 21 :GIG 1ex2A 81 :GKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 25 :RNQELALSAAIALEGIEGVILCSAG 1ex2A 84 :QDQEEAASMLRRLSGRSHSVITAVS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.00707 Ang V20.CG1 and L22.CD2 other bump:2.58211 Ang A13.O and I17.CD1 Number of specific fragments= 3 total=505 Number of alignments=115 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :LKKPAAL 1ex2A 1 :MTKPLIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.5673 Ang K2.CG and K3.N T0187 8 :IFGGETVVHVKGNGIG 1ex2A 66 :VIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.60838 Ang H10.ND1 and N14.C other bump:3.11507 Ang H10.CE1 and N14.C other bump:2.48385 Ang H10.ND1 and N14.O other bump:3.10212 Ang H10.ND1 and N14.CA other bump:2.93438 Ang H10.CE1 and N14.CA other bump:2.58755 Ang H10.ND1 and N14.N other bump:1.883 Ang H10.CE1 and N14.N other bump:2.49167 Ang H10.ND1 and G13.C other bump:1.40134 Ang H10.CE1 and G13.C other bump:2.33254 Ang H10.NE2 and G13.C other bump:2.11022 Ang H10.CE1 and G13.O other bump:3.11139 Ang H10.CD2 and G13.CA other bump:3.11212 Ang H10.ND1 and G13.CA other bump:1.80231 Ang H10.CE1 and G13.CA other bump:1.73611 Ang H10.NE2 and G13.CA other bump:2.93404 Ang H10.CD2 and G13.N other bump:2.18369 Ang H10.CE1 and G13.N other bump:1.81709 Ang H10.NE2 and G13.N T0187 24 :GRNQELALSAAIALEGIE 1ex2A 83 :PQDQEEAASMLRRLSGRS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.58211 Ang A14.O and I18.CD1 T0187 48 :AGTDGTDGPTDAAGGIVDGST 1ex2A 147 :AGAYGIQGRGALFVKKIDGDY Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.41836 Ang D8.CB and D12.OD2 other bump:2.16667 Ang D8.CG and D12.OD2 other bump:2.12606 Ang D8.OD1 and D12.OD2 other bump:2.17802 Ang D8.OD1 and D12.OD1 other bump:1.09944 Ang T7.O and D12.OD1 other bump:2.4972 Ang D8.CA and D12.OD1 other bump:1.86272 Ang T7.C and D12.OD1 other bump:2.99372 Ang D8.CB and D12.CG other bump:2.82366 Ang D8.CG and D12.CG other bump:2.26987 Ang D8.OD1 and D12.CG other bump:2.21134 Ang T7.O and D12.CG other bump:3.03821 Ang D8.CA and D12.CG other bump:3.25843 Ang D8.C and D12.CG other bump:3.09786 Ang T7.C and D12.CG other bump:2.69899 Ang G6.C and T11.CG2 other bump:1.87726 Ang G6.O and T11.CG2 other bump:2.64438 Ang G6.N and T11.CG2 other bump:2.98708 Ang G6.C and T11.CB other bump:1.87461 Ang G6.O and T11.CB other bump:3.06523 Ang G6.N and T11.CB neighbor-bump: 2.37402 Ang D8.CB and G9.N self-bump: 2.14372 Ang D8.CB and D8.C self-bump: 1.24998 Ang D8.CA and D8.CB T0187 72 :LKAMGEDPYQYLKNNDS 1ex2A 168 :YSVMGLPISKTMRALRH Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.77393 Ang Y12.CD1 and N16.ND2 other bump:2.13909 Ang Y12.CE1 and N16.ND2 other bump:2.78591 Ang Y12.CZ and N16.ND2 other bump:2.96137 Ang L2.CB and P9.CD other bump:1.87773 Ang E7.O and P9.CD other bump:2.82893 Ang E7.C and P9.CD other bump:2.03683 Ang K3.CG and D8.OD2 other bump:1.86404 Ang K3.CD and D8.OD2 other bump:1.32902 Ang K3.CE and D8.OD2 other bump:1.17999 Ang K3.NZ and D8.OD2 other bump:2.36092 Ang K3.CA and D8.OD1 other bump:1.50683 Ang K3.CB and D8.OD1 other bump:0.305376 Ang K3.CG and D8.OD1 other bump:1.8193 Ang K3.CD and D8.OD1 other bump:2.60277 Ang K3.CB and D8.CG other bump:1.19488 Ang K3.CG and D8.CG other bump:1.81999 Ang K3.CD and D8.CG other bump:1.94708 Ang K3.CE and D8.CG other bump:2.42048 Ang K3.NZ and D8.CG other bump:2.44692 Ang K3.CG and D8.CB other bump:3.05615 Ang K3.CD and D8.CB other bump:2.78566 Ang K3.CE and D8.CB other bump:3.04598 Ang K3.CG and D8.CA Number of specific fragments= 5 total=510 Number of alignments=116 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :LKKPAAL 1ex2A 1 :MTKPLIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.5673 Ang K2.CG and K3.N T0187 8 :IFGGETVVHVKGNGIG 1ex2A 66 :VIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.60838 Ang H10.ND1 and N14.C other bump:3.11507 Ang H10.CE1 and N14.C other bump:2.48385 Ang H10.ND1 and N14.O other bump:3.10212 Ang H10.ND1 and N14.CA other bump:2.93438 Ang H10.CE1 and N14.CA other bump:2.58755 Ang H10.ND1 and N14.N other bump:1.883 Ang H10.CE1 and N14.N other bump:2.49167 Ang H10.ND1 and G13.C other bump:1.40134 Ang H10.CE1 and G13.C other bump:2.33254 Ang H10.NE2 and G13.C other bump:2.11022 Ang H10.CE1 and G13.O other bump:3.11139 Ang H10.CD2 and G13.CA other bump:3.11212 Ang H10.ND1 and G13.CA other bump:1.80231 Ang H10.CE1 and G13.CA other bump:1.73611 Ang H10.NE2 and G13.CA other bump:2.93404 Ang H10.CD2 and G13.N other bump:2.18369 Ang H10.CE1 and G13.N other bump:1.81709 Ang H10.NE2 and G13.N T0187 24 :GRNQELALSAAIALEGIE 1ex2A 83 :PQDQEEAASMLRRLSGRS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.58211 Ang A14.O and I18.CD1 T0187 48 :AGTDGTDGPTDAAGGIVDGST 1ex2A 147 :AGAYGIQGRGALFVKKIDGDY Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.41836 Ang D8.CB and D12.OD2 other bump:2.16667 Ang D8.CG and D12.OD2 other bump:2.12606 Ang D8.OD1 and D12.OD2 other bump:2.17802 Ang D8.OD1 and D12.OD1 other bump:1.09944 Ang T7.O and D12.OD1 other bump:2.4972 Ang D8.CA and D12.OD1 other bump:1.86272 Ang T7.C and D12.OD1 other bump:2.99372 Ang D8.CB and D12.CG other bump:2.82366 Ang D8.CG and D12.CG other bump:2.26987 Ang D8.OD1 and D12.CG other bump:2.21134 Ang T7.O and D12.CG other bump:3.03821 Ang D8.CA and D12.CG other bump:3.25843 Ang D8.C and D12.CG other bump:3.09786 Ang T7.C and D12.CG other bump:2.69899 Ang G6.C and T11.CG2 other bump:1.87726 Ang G6.O and T11.CG2 other bump:2.64438 Ang G6.N and T11.CG2 other bump:2.98708 Ang G6.C and T11.CB other bump:1.87461 Ang G6.O and T11.CB other bump:3.06523 Ang G6.N and T11.CB neighbor-bump: 2.37402 Ang D8.CB and G9.N self-bump: 2.14372 Ang D8.CB and D8.C self-bump: 1.24998 Ang D8.CA and D8.CB T0187 72 :LKAMGEDPYQYLK 1ex2A 168 :YSVMGLPISKTMR Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.96137 Ang L2.CB and P9.CD other bump:1.87773 Ang E7.O and P9.CD other bump:2.82893 Ang E7.C and P9.CD other bump:1.32902 Ang K3.CE and D8.OD2 other bump:1.17999 Ang K3.NZ and D8.OD2 other bump:2.03683 Ang K3.CG and D8.OD2 other bump:1.86404 Ang K3.CD and D8.OD2 other bump:2.36092 Ang K3.CA and D8.OD1 other bump:1.50683 Ang K3.CB and D8.OD1 other bump:0.305376 Ang K3.CG and D8.OD1 other bump:1.8193 Ang K3.CD and D8.OD1 other bump:1.94708 Ang K3.CE and D8.CG other bump:2.42048 Ang K3.NZ and D8.CG other bump:2.60277 Ang K3.CB and D8.CG other bump:1.19488 Ang K3.CG and D8.CG other bump:1.81999 Ang K3.CD and D8.CG other bump:2.78566 Ang K3.CE and D8.CB other bump:2.44692 Ang K3.CG and D8.CB other bump:3.05615 Ang K3.CD and D8.CB other bump:3.04598 Ang K3.CG and D8.CA T0187 94 :KSGA 1ex2A 181 :ALRH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 6 total=516 Number of alignments=117 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :LKKPAAL 1ex2A 1 :MTKPLIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.5673 Ang K2.CG and K3.N T0187 8 :IFGGETVVHVKGN 1ex2A 66 :VIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.60838 Ang H10.ND1 and N14.C other bump:3.11507 Ang H10.CE1 and N14.C other bump:2.48385 Ang H10.ND1 and N14.O other bump:3.10212 Ang H10.ND1 and N14.CA other bump:2.93438 Ang H10.CE1 and N14.CA other bump:2.58755 Ang H10.ND1 and N14.N other bump:1.883 Ang H10.CE1 and N14.N other bump:2.49167 Ang H10.ND1 and G13.C other bump:1.40134 Ang H10.CE1 and G13.C other bump:2.33254 Ang H10.NE2 and G13.C other bump:2.11022 Ang H10.CE1 and G13.O other bump:3.11139 Ang H10.CD2 and G13.CA other bump:3.11212 Ang H10.ND1 and G13.CA other bump:1.80231 Ang H10.CE1 and G13.CA other bump:1.73611 Ang H10.NE2 and G13.CA other bump:2.93404 Ang H10.CD2 and G13.N other bump:2.18369 Ang H10.CE1 and G13.N other bump:1.81709 Ang H10.NE2 and G13.N T0187 21 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 24 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 T0187 59 :AAGGI 1ex2A 111 :AENHS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 64 :VDGSTAKTLKAMGE 1ex2A 129 :LSEEEIWTYIETKE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.39803 Ang D3.OD1 and T6.OG1 T0187 78 :DPYQYL 1ex2A 166 :DYYSVM Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.38353 Ang D2.CG and Q5.NE2 other bump:1.29896 Ang D2.OD2 and Q5.NE2 other bump:1.25804 Ang D2.CG and Q5.OE1 other bump:1.7306 Ang D2.OD2 and Q5.OE1 other bump:2.49605 Ang D2.CA and Q5.OE1 other bump:1.22814 Ang D2.CB and Q5.OE1 other bump:2.02023 Ang D2.CG and Q5.CD other bump:1.60082 Ang D2.OD2 and Q5.CD other bump:2.31225 Ang D2.CB and Q5.CD T0187 85 :NNDSYNALKKSGA 1ex2A 172 :GLPISKTMRALRH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.32374 Ang G1.O and N2.CG Number of specific fragments= 8 total=524 Number of alignments=118 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :LKKPAAL 1ex2A 1 :MTKPLIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.5673 Ang K2.CG and K3.N T0187 8 :IFGGETVVHVKGN 1ex2A 66 :VIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.60838 Ang H10.ND1 and N14.C other bump:3.11507 Ang H10.CE1 and N14.C other bump:2.48385 Ang H10.ND1 and N14.O other bump:3.10212 Ang H10.ND1 and N14.CA other bump:2.93438 Ang H10.CE1 and N14.CA other bump:2.58755 Ang H10.ND1 and N14.N other bump:1.883 Ang H10.CE1 and N14.N other bump:2.49167 Ang H10.ND1 and G13.C other bump:1.40134 Ang H10.CE1 and G13.C other bump:2.33254 Ang H10.NE2 and G13.C other bump:2.11022 Ang H10.CE1 and G13.O other bump:3.11139 Ang H10.CD2 and G13.CA other bump:3.11212 Ang H10.ND1 and G13.CA other bump:1.80231 Ang H10.CE1 and G13.CA other bump:1.73611 Ang H10.NE2 and G13.CA other bump:2.93404 Ang H10.CD2 and G13.N other bump:2.18369 Ang H10.CE1 and G13.N other bump:1.81709 Ang H10.NE2 and G13.N T0187 21 :GIG 1ex2A 81 :GKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 25 :RNQELALSAAIALEGI 1ex2A 84 :QDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.53496 Ang L14.O and I17.CG2 other bump:3.11552 Ang L14.C and I17.CG2 T0187 60 :AG 1ex2A 112 :EN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 62 :GI 1ex2A 125 :AF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 64 :VDGSTAKTLKAMGE 1ex2A 129 :LSEEEIWTYIETKE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.39803 Ang D3.OD1 and T6.OG1 T0187 78 :DPYQYL 1ex2A 166 :DYYSVM Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.38353 Ang D2.CG and Q5.NE2 other bump:1.29896 Ang D2.OD2 and Q5.NE2 other bump:1.25804 Ang D2.CG and Q5.OE1 other bump:1.7306 Ang D2.OD2 and Q5.OE1 other bump:2.49605 Ang D2.CA and Q5.OE1 other bump:1.22814 Ang D2.CB and Q5.OE1 other bump:2.02023 Ang D2.CG and Q5.CD other bump:1.60082 Ang D2.OD2 and Q5.CD other bump:2.31225 Ang D2.CB and Q5.CD T0187 85 :NNDSYNALKKSGA 1ex2A 172 :GLPISKTMRALRH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.32374 Ang G1.O and N2.CG Number of specific fragments= 9 total=533 Number of alignments=119 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 7 :LIFGGETVVHVKGNGIG 1ex2A 65 :IVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.60838 Ang H11.ND1 and N15.C other bump:3.11507 Ang H11.CE1 and N15.C other bump:2.48385 Ang H11.ND1 and N15.O other bump:3.10212 Ang H11.ND1 and N15.CA other bump:2.93438 Ang H11.CE1 and N15.CA other bump:2.58755 Ang H11.ND1 and N15.N other bump:1.883 Ang H11.CE1 and N15.N other bump:2.49167 Ang H11.ND1 and G14.C other bump:1.40134 Ang H11.CE1 and G14.C other bump:2.33254 Ang H11.NE2 and G14.C other bump:2.11022 Ang H11.CE1 and G14.O other bump:3.11139 Ang H11.CD2 and G14.CA other bump:3.11212 Ang H11.ND1 and G14.CA other bump:1.80231 Ang H11.CE1 and G14.CA other bump:1.73611 Ang H11.NE2 and G14.CA other bump:2.93404 Ang H11.CD2 and G14.N other bump:2.18369 Ang H11.CE1 and G14.N other bump:1.81709 Ang H11.NE2 and G14.N T0187 24 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 Number of specific fragments= 2 total=535 Number of alignments=120 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 4 :PAALIFGGETVVHVKGNGIG 1ex2A 62 :PHAIVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N T0187 24 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 Number of specific fragments= 2 total=537 Number of alignments=121 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 7 :LIFGGETVVHVKGNGIG 1ex2A 65 :IVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.60838 Ang H11.ND1 and N15.C other bump:3.11507 Ang H11.CE1 and N15.C other bump:2.48385 Ang H11.ND1 and N15.O other bump:3.10212 Ang H11.ND1 and N15.CA other bump:2.93438 Ang H11.CE1 and N15.CA other bump:2.58755 Ang H11.ND1 and N15.N other bump:1.883 Ang H11.CE1 and N15.N other bump:2.49167 Ang H11.ND1 and G14.C other bump:1.40134 Ang H11.CE1 and G14.C other bump:2.33254 Ang H11.NE2 and G14.C other bump:2.11022 Ang H11.CE1 and G14.O other bump:3.11139 Ang H11.CD2 and G14.CA other bump:3.11212 Ang H11.ND1 and G14.CA other bump:1.80231 Ang H11.CE1 and G14.CA other bump:1.73611 Ang H11.NE2 and G14.CA other bump:2.93404 Ang H11.CD2 and G14.N other bump:2.18369 Ang H11.CE1 and G14.N other bump:1.81709 Ang H11.NE2 and G14.N T0187 24 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 Number of specific fragments= 2 total=539 Number of alignments=122 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 4 :PAALIFGGETVVHVKGNGIG 1ex2A 62 :PHAIVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N T0187 24 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 Number of specific fragments= 2 total=541 Number of alignments=123 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-local-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-local-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 3 :KPAALIFGGETVVHVKGNGIG 1ex2A 61 :HPHAIVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.60838 Ang H15.ND1 and N19.C other bump:3.11507 Ang H15.CE1 and N19.C other bump:2.48385 Ang H15.ND1 and N19.O other bump:3.10212 Ang H15.ND1 and N19.CA other bump:2.93438 Ang H15.CE1 and N19.CA other bump:2.58755 Ang H15.ND1 and N19.N other bump:1.883 Ang H15.CE1 and N19.N other bump:2.49167 Ang H15.ND1 and G18.C other bump:1.40134 Ang H15.CE1 and G18.C other bump:2.33254 Ang H15.NE2 and G18.C other bump:2.11022 Ang H15.CE1 and G18.O other bump:3.11212 Ang H15.ND1 and G18.CA other bump:3.11139 Ang H15.CD2 and G18.CA other bump:1.80231 Ang H15.CE1 and G18.CA other bump:1.73611 Ang H15.NE2 and G18.CA other bump:2.93404 Ang H15.CD2 and G18.N other bump:2.18369 Ang H15.CE1 and G18.N other bump:1.81709 Ang H15.NE2 and G18.N Number of specific fragments= 1 total=542 Number of alignments=124 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-local-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-local-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 3 :KPAALIFGGETVVHVKGNGIGG 1ex2A 61 :HPHAIVIGADTMVCLDGECLGK Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.60838 Ang H15.ND1 and N19.C other bump:3.11507 Ang H15.CE1 and N19.C other bump:2.48385 Ang H15.ND1 and N19.O other bump:3.10212 Ang H15.ND1 and N19.CA other bump:2.93438 Ang H15.CE1 and N19.CA other bump:2.58755 Ang H15.ND1 and N19.N other bump:1.883 Ang H15.CE1 and N19.N other bump:2.49167 Ang H15.ND1 and G18.C other bump:1.40134 Ang H15.CE1 and G18.C other bump:2.33254 Ang H15.NE2 and G18.C other bump:2.11022 Ang H15.CE1 and G18.O other bump:3.11139 Ang H15.CD2 and G18.CA other bump:3.11212 Ang H15.ND1 and G18.CA other bump:1.80231 Ang H15.CE1 and G18.CA other bump:1.73611 Ang H15.NE2 and G18.CA other bump:2.93404 Ang H15.CD2 and G18.N other bump:2.18369 Ang H15.CE1 and G18.N other bump:1.81709 Ang H15.NE2 and G18.N T0187 25 :RNQELALSAAIALEGIEGVILCSAGTDGT 1ex2A 84 :QDQEEAASMLRRLSGRSHSVITAVSIQAE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:3.00707 Ang V20.CG1 and L22.CD2 other bump:2.58211 Ang A13.O and I17.CD1 T0187 58 :DAAGGIVDGSTAKTLKAMGEDPYQY 1ex2A 113 :NHSETFYDKTEVAFWSLSEEEIWTY Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.22823 Ang M19.O and P23.CD other bump:2.46045 Ang M19.C and P23.CD other bump:3.17918 Ang G20.C and P23.CD other bump:2.1812 Ang M19.O and P23.CG other bump:3.2104 Ang M19.C and P23.CG other bump:2.16309 Ang M19.CE and E21.OE2 other bump:3.1174 Ang M19.SD and E21.OE1 other bump:1.78658 Ang M19.CE and E21.OE1 other bump:1.82716 Ang M19.CE and E21.CD other bump:2.84887 Ang M19.CE and E21.CG Number of specific fragments= 3 total=545 Number of alignments=125 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-simpleSW-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-simpleSW-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 4 :PAALIFGGETVVHVKGNGIG 1ex2A 62 :PHAIVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N Number of specific fragments= 1 total=546 Number of alignments=126 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-simpleSW-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-simpleSW-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 3 :KPAALIFGGETVVHVKGNGIGG 1ex2A 61 :HPHAIVIGADTMVCLDGECLGK Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.60838 Ang H15.ND1 and N19.C other bump:3.11507 Ang H15.CE1 and N19.C other bump:2.48385 Ang H15.ND1 and N19.O other bump:3.10212 Ang H15.ND1 and N19.CA other bump:2.93438 Ang H15.CE1 and N19.CA other bump:2.58755 Ang H15.ND1 and N19.N other bump:1.883 Ang H15.CE1 and N19.N other bump:2.49167 Ang H15.ND1 and G18.C other bump:1.40134 Ang H15.CE1 and G18.C other bump:2.33254 Ang H15.NE2 and G18.C other bump:2.11022 Ang H15.CE1 and G18.O other bump:3.11139 Ang H15.CD2 and G18.CA other bump:3.11212 Ang H15.ND1 and G18.CA other bump:1.80231 Ang H15.CE1 and G18.CA other bump:1.73611 Ang H15.NE2 and G18.CA other bump:2.93404 Ang H15.CD2 and G18.N other bump:2.18369 Ang H15.CE1 and G18.N other bump:1.81709 Ang H15.NE2 and G18.N T0187 25 :RNQELALSAAIALEGIEGVIL 1ex2A 84 :QDQEEAASMLRRLSGRSHSVI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.58211 Ang A13.O and I17.CD1 Number of specific fragments= 2 total=548 Number of alignments=127 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-vit-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-vit-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 3 :KPAALIFGGETVVHVKGNGIG 1ex2A 61 :HPHAIVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.60838 Ang H15.ND1 and N19.C other bump:3.11507 Ang H15.CE1 and N19.C other bump:2.48385 Ang H15.ND1 and N19.O other bump:3.10212 Ang H15.ND1 and N19.CA other bump:2.93438 Ang H15.CE1 and N19.CA other bump:2.58755 Ang H15.ND1 and N19.N other bump:1.883 Ang H15.CE1 and N19.N other bump:2.49167 Ang H15.ND1 and G18.C other bump:1.40134 Ang H15.CE1 and G18.C other bump:2.33254 Ang H15.NE2 and G18.C other bump:2.11022 Ang H15.CE1 and G18.O other bump:3.11212 Ang H15.ND1 and G18.CA other bump:3.11139 Ang H15.CD2 and G18.CA other bump:1.80231 Ang H15.CE1 and G18.CA other bump:1.73611 Ang H15.NE2 and G18.CA other bump:2.93404 Ang H15.CD2 and G18.N other bump:2.18369 Ang H15.CE1 and G18.N other bump:1.81709 Ang H15.NE2 and G18.N Number of specific fragments= 1 total=549 Number of alignments=128 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-vit-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-vit-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 3 :KPAALIFGGETVVHVKGNGIGG 1ex2A 61 :HPHAIVIGADTMVCLDGECLGK Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.60838 Ang H15.ND1 and N19.C other bump:3.11507 Ang H15.CE1 and N19.C other bump:2.48385 Ang H15.ND1 and N19.O other bump:3.10212 Ang H15.ND1 and N19.CA other bump:2.93438 Ang H15.CE1 and N19.CA other bump:2.58755 Ang H15.ND1 and N19.N other bump:1.883 Ang H15.CE1 and N19.N other bump:2.49167 Ang H15.ND1 and G18.C other bump:1.40134 Ang H15.CE1 and G18.C other bump:2.33254 Ang H15.NE2 and G18.C other bump:2.11022 Ang H15.CE1 and G18.O other bump:3.11139 Ang H15.CD2 and G18.CA other bump:3.11212 Ang H15.ND1 and G18.CA other bump:1.80231 Ang H15.CE1 and G18.CA other bump:1.73611 Ang H15.NE2 and G18.CA other bump:2.93404 Ang H15.CD2 and G18.N other bump:2.18369 Ang H15.CE1 and G18.N other bump:1.81709 Ang H15.NE2 and G18.N T0187 25 :RNQELALSAAIALEGIEGVILCSAGTDGT 1ex2A 84 :QDQEEAASMLRRLSGRSHSVITAVSIQAE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:3.00707 Ang V20.CG1 and L22.CD2 other bump:2.58211 Ang A13.O and I17.CD1 T0187 58 :DAAGGIVDGSTAKTLKAMGEDPYQY 1ex2A 113 :NHSETFYDKTEVAFWSLSEEEIWTY Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.22823 Ang M19.O and P23.CD other bump:2.46045 Ang M19.C and P23.CD other bump:3.17918 Ang G20.C and P23.CD other bump:2.1812 Ang M19.O and P23.CG other bump:3.2104 Ang M19.C and P23.CG other bump:2.16309 Ang M19.CE and E21.OE2 other bump:3.1174 Ang M19.SD and E21.OE1 other bump:1.78658 Ang M19.CE and E21.OE1 other bump:1.82716 Ang M19.CE and E21.CD other bump:2.84887 Ang M19.CE and E21.CG Number of specific fragments= 3 total=552 Number of alignments=129 # Prefix for input files set to 1k3fA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1k3fA-T0187-local-adpstyle1.pw.a2m.gz # 1k3fA read from 1k3fA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1k3fA in template set T0187 15 :VHVKGNGIGGRNQELALSAAIA 1k3fA 62 :VIVCSTGIGGPSTSIAVEELAQ Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.42891 Ang L18.CD1 and I22.CD1 other bump:1.87896 Ang G11.O and E15.OE2 other bump:2.47007 Ang G11.C and E15.OE2 other bump:1.17016 Ang G11.O and E15.OE1 other bump:2.01238 Ang G11.C and E15.OE1 other bump:2.27721 Ang R12.CA and E15.OE1 other bump:2.62749 Ang R12.C and E15.OE1 other bump:1.54275 Ang G11.O and E15.CD other bump:2.54151 Ang G11.C and E15.CD other bump:3.30163 Ang R12.CA and E15.CD other bump:2.1368 Ang N7.ND2 and Q14.NE2 other bump:2.74712 Ang N7.ND2 and Q14.CD T0187 38 :EGIEGVI 1k3fA 84 :LGIRTFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 2 total=554 Number of alignments=130 # Reading fragments from alignment file # T0187 read from 1k3fA-T0187-local-adpstyle5.pw.a2m.gz # 1k3fA read from 1k3fA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1k3fA in template set T0187 15 :VHVKGNGIGGRNQELALSAAIA 1k3fA 62 :VIVCSTGIGGPSTSIAVEELAQ Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.42891 Ang L18.CD1 and I22.CD1 other bump:1.87896 Ang G11.O and E15.OE2 other bump:2.47007 Ang G11.C and E15.OE2 other bump:1.17016 Ang G11.O and E15.OE1 other bump:2.01238 Ang G11.C and E15.OE1 other bump:2.27721 Ang R12.CA and E15.OE1 other bump:2.62749 Ang R12.C and E15.OE1 other bump:1.54275 Ang G11.O and E15.CD other bump:2.54151 Ang G11.C and E15.CD other bump:3.30163 Ang R12.CA and E15.CD other bump:2.1368 Ang N7.ND2 and Q14.NE2 other bump:2.74712 Ang N7.ND2 and Q14.CD T0187 38 :EGIEGVIL 1k3fA 84 :LGIRTFLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 2 total=556 Number of alignments=131 # Reading fragments from alignment file # T0187 read from 1k3fA-T0187-vit-adpstyle1.pw.a2m.gz # 1k3fA read from 1k3fA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1k3fA in template set T0187 15 :VHVKGNGIGGRNQELALSAAIA 1k3fA 62 :VIVCSTGIGGPSTSIAVEELAQ Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.42891 Ang L18.CD1 and I22.CD1 other bump:1.87896 Ang G11.O and E15.OE2 other bump:2.47007 Ang G11.C and E15.OE2 other bump:1.17016 Ang G11.O and E15.OE1 other bump:2.01238 Ang G11.C and E15.OE1 other bump:2.27721 Ang R12.CA and E15.OE1 other bump:2.62749 Ang R12.C and E15.OE1 other bump:1.54275 Ang G11.O and E15.CD other bump:2.54151 Ang G11.C and E15.CD other bump:3.30163 Ang R12.CA and E15.CD other bump:2.1368 Ang N7.ND2 and Q14.NE2 other bump:2.74712 Ang N7.ND2 and Q14.CD T0187 38 :EGIEGVI 1k3fA 84 :LGIRTFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 2 total=558 Number of alignments=132 # Reading fragments from alignment file # T0187 read from 1k3fA-T0187-vit-adpstyle5.pw.a2m.gz # 1k3fA read from 1k3fA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1k3fA in template set T0187 15 :VHVKGNGIGGRNQELALSAAIA 1k3fA 62 :VIVCSTGIGGPSTSIAVEELAQ Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.42891 Ang L18.CD1 and I22.CD1 other bump:1.87896 Ang G11.O and E15.OE2 other bump:2.47007 Ang G11.C and E15.OE2 other bump:1.17016 Ang G11.O and E15.OE1 other bump:2.01238 Ang G11.C and E15.OE1 other bump:2.27721 Ang R12.CA and E15.OE1 other bump:2.62749 Ang R12.C and E15.OE1 other bump:1.54275 Ang G11.O and E15.CD other bump:2.54151 Ang G11.C and E15.CD other bump:3.30163 Ang R12.CA and E15.CD other bump:2.1368 Ang N7.ND2 and Q14.NE2 other bump:2.74712 Ang N7.ND2 and Q14.CD T0187 38 :EGIEGVIL 1k3fA 84 :LGIRTFLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 2 total=560 Number of alignments=133 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1k3fA read from T0187-1k3fA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1k3fA in template set T0187 1 :LKK 1k3fA 1 :MSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 4 :PAALIFGGETV 1k3fA 41 :PVKLASHREFT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 15 :VHVKGNGIGGRNQELALSAAIALEG 1k3fA 62 :VIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.1815 Ang L24.O and E25.CG neighbor-bump: 2.72185 Ang L24.C and E25.CG other bump:2.42891 Ang L18.CD1 and I22.CD1 other bump:1.87896 Ang G11.O and E15.OE2 other bump:2.47007 Ang G11.C and E15.OE2 other bump:1.17016 Ang G11.O and E15.OE1 other bump:2.27721 Ang R12.CA and E15.OE1 other bump:2.62749 Ang R12.C and E15.OE1 other bump:2.01238 Ang G11.C and E15.OE1 other bump:1.54275 Ang G11.O and E15.CD other bump:3.30163 Ang R12.CA and E15.CD other bump:2.54151 Ang G11.C and E15.CD other bump:2.1368 Ang N7.ND2 and Q14.NE2 other bump:2.74712 Ang N7.ND2 and Q14.CD T0187 43 :VILCSAGTDGTDGPTDAAGGI 1k3fA 87 :RTFLRIGTTGAIQPHINVGDV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.65457 Ang T12.CG2 and D17.OD2 self-bump: 1.39004 Ang D17.CA and D17.CB T0187 64 :VDGSTAKTLKAMGEDPYQYLKNNDSYNALKKSG 1k3fA 116 :LDGASLHFAPLEFPAVADFECTTALVEAAKSIG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.6349 Ang N24.ND2 and N28.ND2 other bump:2.88778 Ang N23.ND2 and Y27.CE2 other bump:2.32729 Ang E15.O and P17.CD other bump:2.6489 Ang E15.C and P17.CD T0187 97 :ALLITGPTGTNVNDLIIGLI 1k3fA 160 :DTFYPGQERYDTYSGRVVRH Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 2.6645 Ang I18.CG2 and G19.N other bump:2.94216 Ang D15.OD1 and I18.CG2 other bump:2.91059 Ang D15.CB and I18.CG1 other bump:2.62898 Ang D15.CG and I18.CG1 self-bump: 1.36011 Ang I18.CA and I18.CB self-bump: 1.29693 Ang L16.CA and L16.CB self-bump: 2.20063 Ang D15.CB and D15.C self-bump: 1.3352 Ang D15.CA and D15.CB neighbor-bump: 2.50996 Ang N12.O and V13.CG2 self-bump: 1.28484 Ang N12.CA and N12.CB neighbor-bump: 2.09133 Ang G10.O and T11.OG1 other bump:2.66347 Ang T9.CG2 and T11.OG1 neighbor-bump: 2.51206 Ang G10.C and T11.OG1 neighbor-bump: 2.22613 Ang T6.CB and G7.N neighbor-bump: 2.29798 Ang T6.OG1 and G7.N Number of specific fragments= 6 total=566 Number of alignments=134 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1k3fA read from T0187-1k3fA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1k3fA in template set T0187 1 :LKK 1k3fA 1 :MSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 5 :AALIFG 1k3fA 21 :LAIVPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 12 :ET 1k3fA 27 :DP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 15 :VHVKGNGIGGRNQELALSAAIALEGIE 1k3fA 62 :VIVCSTGIGGPSTSIAVEELAQLGIRT Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.1815 Ang L24.O and E25.CG neighbor-bump: 2.72185 Ang L24.C and E25.CG other bump:2.42891 Ang L18.CD1 and I22.CD1 other bump:2.47007 Ang G11.C and E15.OE2 other bump:1.87896 Ang G11.O and E15.OE2 other bump:2.27721 Ang R12.CA and E15.OE1 other bump:2.62749 Ang R12.C and E15.OE1 other bump:2.01238 Ang G11.C and E15.OE1 other bump:1.17016 Ang G11.O and E15.OE1 other bump:3.30163 Ang R12.CA and E15.CD other bump:2.54151 Ang G11.C and E15.CD other bump:1.54275 Ang G11.O and E15.CD other bump:2.1368 Ang N7.ND2 and Q14.NE2 other bump:2.74712 Ang N7.ND2 and Q14.CD T0187 42 :GVILCSAGTDGTDGPTDAAG 1k3fA 105 :GDVLVTTASVRLDGASLHFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 2.55447 Ang G15.N and P16.CD T0187 62 :GIVDGSTAKTL 1k3fA 130 :AVADFECTTAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.86304 Ang V4.CG1 and A9.CB T0187 73 :KAMGED 1k3fA 145 :KSIGAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 84 :KNNDSYNALKKSG 1k3fA 179 :HFKGSMEEWQAMG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.61018 Ang S6.O and L10.CD1 T0187 97 :ALLITGPTGTNVNDLIIGLI 1k3fA 200 :ATLLTMCASQGLRAGMVAGV Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.65695 Ang P8.CB and D15.OD2 other bump:2.70951 Ang P8.CG and D15.OD2 other bump:2.21137 Ang V13.CG1 and D15.OD1 other bump:2.78774 Ang V13.CG1 and D15.CG neighbor-bump: 2.15512 Ang V13.O and N14.CB neighbor-bump: 2.47793 Ang V13.C and N14.CB other bump:2.65102 Ang P8.CA and V13.CG2 other bump:1.38838 Ang P8.O and V13.CG2 other bump:1.35533 Ang P8.C and V13.CG2 other bump:3.03166 Ang G10.N and V13.CG2 other bump:1.76008 Ang T9.N and V13.CG2 other bump:2.73534 Ang T9.C and V13.CG2 other bump:2.12623 Ang T9.CA and V13.CG2 other bump:2.91112 Ang P8.CB and V13.CG1 other bump:2.5656 Ang P8.O and V13.CB other bump:2.62412 Ang P8.C and V13.CB other bump:3.0867 Ang T9.N and V13.CB self-bump: 1.28715 Ang V13.CA and V13.CB other bump:2.76724 Ang P8.O and V13.CA other bump:3.13691 Ang P8.C and V13.CA neighbor-bump: 2.31079 Ang G10.O and T11.CG2 neighbor-bump: 2.91106 Ang G10.C and T11.CG2 other bump:3.01888 Ang I5.CG2 and T9.OG1 neighbor-bump: 2.06199 Ang G7.O and P8.CD other bump:1.95367 Ang L4.O and P8.CD neighbor-bump: 2.342 Ang G7.CA and P8.CD neighbor-bump: 1.49804 Ang G7.C and P8.CD neighbor-bump: 2.52723 Ang G7.N and P8.CD other bump:3.08709 Ang L4.C and P8.CD neighbor-bump: 2.32702 Ang G7.O and P8.CG other bump:2.21854 Ang L4.O and P8.CG neighbor-bump: 2.47169 Ang G7.C and P8.CG Number of specific fragments= 9 total=575 Number of alignments=135 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1k3fA read from T0187-1k3fA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1k3fA in template set T0187 14 :VVHVKGNGIGGRNQELALSAAIALEG 1k3fA 61 :PVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues neighbor-bump: 2.1815 Ang L25.O and E26.CG neighbor-bump: 2.72185 Ang L25.C and E26.CG other bump:2.42891 Ang L19.CD1 and I23.CD1 other bump:1.87896 Ang G12.O and E16.OE2 other bump:2.47007 Ang G12.C and E16.OE2 other bump:2.27721 Ang R13.CA and E16.OE1 other bump:2.62749 Ang R13.C and E16.OE1 other bump:1.17016 Ang G12.O and E16.OE1 other bump:2.01238 Ang G12.C and E16.OE1 other bump:3.30163 Ang R13.CA and E16.CD other bump:1.54275 Ang G12.O and E16.CD other bump:2.54151 Ang G12.C and E16.CD other bump:2.1368 Ang N8.ND2 and Q15.NE2 other bump:2.74712 Ang N8.ND2 and Q15.CD T0187 43 :VILCSAGTDGTDGPTDAAGGIV 1k3fA 87 :RTFLRIGTTGAIQPHINVGDVL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.65457 Ang T12.CG2 and D17.OD2 self-bump: 1.39004 Ang D17.CA and D17.CB Number of specific fragments= 2 total=577 Number of alignments=136 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1k3fA read from T0187-1k3fA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1k3fA in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1k3fA 60 :KPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.1815 Ang L26.O and E27.CG neighbor-bump: 2.72185 Ang L26.C and E27.CG other bump:2.42891 Ang L20.CD1 and I24.CD1 other bump:2.47007 Ang G13.C and E17.OE2 other bump:1.87896 Ang G13.O and E17.OE2 other bump:2.27721 Ang R14.CA and E17.OE1 other bump:2.62749 Ang R14.C and E17.OE1 other bump:2.01238 Ang G13.C and E17.OE1 other bump:1.17016 Ang G13.O and E17.OE1 other bump:3.30163 Ang R14.CA and E17.CD other bump:2.54151 Ang G13.C and E17.CD other bump:1.54275 Ang G13.O and E17.CD other bump:2.1368 Ang N9.ND2 and Q16.NE2 other bump:2.74712 Ang N9.ND2 and Q16.CD T0187 43 :VILCSAGTDGTDGPTDAAG 1k3fA 87 :RTFLRIGTTGAIQPHINVG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.65457 Ang T12.CG2 and D17.OD2 self-bump: 1.39004 Ang D17.CA and D17.CB Number of specific fragments= 2 total=579 Number of alignments=137 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1k3fA read from T0187-1k3fA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1k3fA in template set T0187 1 :LKK 1k3fA 1 :MSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 4 :PAALIFGGETV 1k3fA 41 :PVKLASHREFT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 15 :VHVKGNGIGGRNQELALSAAIALEG 1k3fA 62 :VIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.1815 Ang L24.O and E25.CG neighbor-bump: 2.72185 Ang L24.C and E25.CG other bump:2.42891 Ang L18.CD1 and I22.CD1 other bump:1.87896 Ang G11.O and E15.OE2 other bump:2.47007 Ang G11.C and E15.OE2 other bump:1.17016 Ang G11.O and E15.OE1 other bump:2.27721 Ang R12.CA and E15.OE1 other bump:2.62749 Ang R12.C and E15.OE1 other bump:2.01238 Ang G11.C and E15.OE1 other bump:1.54275 Ang G11.O and E15.CD other bump:3.30163 Ang R12.CA and E15.CD other bump:2.54151 Ang G11.C and E15.CD other bump:2.1368 Ang N7.ND2 and Q14.NE2 other bump:2.74712 Ang N7.ND2 and Q14.CD T0187 43 :VILCSAGTDGTDGPTDAAGGI 1k3fA 87 :RTFLRIGTTGAIQPHINVGDV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.65457 Ang T12.CG2 and D17.OD2 self-bump: 1.39004 Ang D17.CA and D17.CB T0187 64 :VDGSTAKTLKAMGEDPYQYLKNNDSYNALKKSGALLITGPTGTN 1k3fA 116 :LDGASLHFAPLEFPAVADFECTTALVEAAKSIGATTHVGVTASS Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 46 residues other bump:2.11525 Ang Y27.CE1 and T39.OG1 other bump:2.67745 Ang Y27.CZ and T39.OG1 other bump:3.08445 Ang Y27.CE1 and T39.CG2 other bump:2.41742 Ang Y27.CZ and T39.CG2 other bump:1.27586 Ang Y27.OH and T39.CG2 other bump:2.4818 Ang Y27.OH and T39.CB other bump:2.6926 Ang L30.CD1 and L37.CD2 other bump:2.6349 Ang N24.ND2 and N28.ND2 other bump:2.88778 Ang N23.ND2 and Y27.CE2 other bump:2.32729 Ang E15.O and P17.CD other bump:2.6489 Ang E15.C and P17.CD Number of specific fragments= 5 total=584 Number of alignments=138 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1k3fA read from T0187-1k3fA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1k3fA in template set T0187 1 :L 1k3fA 1 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0187 3 :KPAALIFGGETV 1k3fA 40 :KPVKLASHREFT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0187 15 :VHVKGNGIGGRNQELALSAAIALEG 1k3fA 62 :VIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.1815 Ang L24.O and E25.CG neighbor-bump: 2.72185 Ang L24.C and E25.CG other bump:2.42891 Ang L18.CD1 and I22.CD1 other bump:1.87896 Ang G11.O and E15.OE2 other bump:2.47007 Ang G11.C and E15.OE2 other bump:1.17016 Ang G11.O and E15.OE1 other bump:2.27721 Ang R12.CA and E15.OE1 other bump:2.62749 Ang R12.C and E15.OE1 other bump:2.01238 Ang G11.C and E15.OE1 other bump:1.54275 Ang G11.O and E15.CD other bump:3.30163 Ang R12.CA and E15.CD other bump:2.54151 Ang G11.C and E15.CD other bump:2.1368 Ang N7.ND2 and Q14.NE2 other bump:2.74712 Ang N7.ND2 and Q14.CD T0187 43 :VILCSAGTDG 1k3fA 87 :RTFLRIGTTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 53 :TDGPTDAAG 1k3fA 116 :LDGASLHFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.55447 Ang G4.N and P5.CD T0187 62 :GIVDGSTAKTLK 1k3fA 130 :AVADFECTTALV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.86304 Ang V4.CG1 and A9.CB T0187 90 :NALKKSGALLITGPTGTN 1k3fA 142 :EAAKSIGATTHVGVTASS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.6926 Ang L4.CD1 and L11.CD2 Number of specific fragments= 7 total=591 Number of alignments=139 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1k3fA read from T0187-1k3fA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1k3fA in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1k3fA 60 :KPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.1815 Ang L26.O and E27.CG neighbor-bump: 2.72185 Ang L26.C and E27.CG other bump:2.42891 Ang L20.CD1 and I24.CD1 other bump:2.47007 Ang G13.C and E17.OE2 other bump:1.87896 Ang G13.O and E17.OE2 other bump:2.27721 Ang R14.CA and E17.OE1 other bump:2.62749 Ang R14.C and E17.OE1 other bump:2.01238 Ang G13.C and E17.OE1 other bump:1.17016 Ang G13.O and E17.OE1 other bump:3.30163 Ang R14.CA and E17.CD other bump:2.54151 Ang G13.C and E17.CD other bump:1.54275 Ang G13.O and E17.CD other bump:2.1368 Ang N9.ND2 and Q16.NE2 other bump:2.74712 Ang N9.ND2 and Q16.CD T0187 43 :VILCSAGTDGTDGPTDAAGGIV 1k3fA 87 :RTFLRIGTTGAIQPHINVGDVL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.65457 Ang T12.CG2 and D17.OD2 self-bump: 1.39004 Ang D17.CA and D17.CB Number of specific fragments= 2 total=593 Number of alignments=140 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1k3fA read from T0187-1k3fA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1k3fA in template set T0187 10 :GG 1k3fA 58 :DG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1k3fA 60 :KPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.1815 Ang L26.O and E27.CG neighbor-bump: 2.72185 Ang L26.C and E27.CG other bump:2.42891 Ang L20.CD1 and I24.CD1 other bump:2.47007 Ang G13.C and E17.OE2 other bump:1.87896 Ang G13.O and E17.OE2 other bump:2.27721 Ang R14.CA and E17.OE1 other bump:2.62749 Ang R14.C and E17.OE1 other bump:2.01238 Ang G13.C and E17.OE1 other bump:1.17016 Ang G13.O and E17.OE1 other bump:3.30163 Ang R14.CA and E17.CD other bump:2.54151 Ang G13.C and E17.CD other bump:1.54275 Ang G13.O and E17.CD other bump:2.1368 Ang N9.ND2 and Q16.NE2 other bump:2.74712 Ang N9.ND2 and Q16.CD T0187 43 :VILCSAGTDGTDGPTDAAGGI 1k3fA 87 :RTFLRIGTTGAIQPHINVGDV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.65457 Ang T12.CG2 and D17.OD2 self-bump: 1.39004 Ang D17.CA and D17.CB Number of specific fragments= 3 total=596 Number of alignments=141 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1k3fA read from T0187-1k3fA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1k3fA in template set T0187 1 :LKKP 1k3fA 1 :MSKS Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues other bump:2.85641 Ang K2.CG and G5.CA other bump:3.13868 Ang K2.CD and G5.CA other bump:2.71756 Ang K2.CE and G5.CA other bump:2.14264 Ang K2.CG and G5.N other bump:2.59863 Ang K2.CD and G5.N other bump:2.15233 Ang K2.CE and G5.N other bump:3.19569 Ang K2.CG and P4.C other bump:2.90651 Ang K2.CE and P4.C neighbor-bump: 2.40239 Ang K3.CA and P4.CD neighbor-bump: 1.65949 Ang K3.O and P4.CD neighbor-bump: 1.34166 Ang K3.C and P4.CD neighbor-bump: 2.74083 Ang K3.C and P4.CG self-bump: 1.37944 Ang P4.CA and P4.CB T0187 5 :AALIFGGE 1k3fA 21 :LAIVPGDP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.93729 Ang F6.CD1 and G8.C other bump:2.78674 Ang F6.CE1 and G8.C other bump:1.74441 Ang F6.CD1 and G8.O other bump:1.63285 Ang F6.CE1 and G8.O T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1k3fA 60 :KPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.1815 Ang L26.O and E27.CG neighbor-bump: 2.72185 Ang L26.C and E27.CG other bump:2.42891 Ang L20.CD1 and I24.CD1 other bump:2.47007 Ang G13.C and E17.OE2 other bump:1.87896 Ang G13.O and E17.OE2 other bump:2.27721 Ang R14.CA and E17.OE1 other bump:2.62749 Ang R14.C and E17.OE1 other bump:2.01238 Ang G13.C and E17.OE1 other bump:1.17016 Ang G13.O and E17.OE1 other bump:3.30163 Ang R14.CA and E17.CD other bump:2.54151 Ang G13.C and E17.CD other bump:1.54275 Ang G13.O and E17.CD other bump:2.1368 Ang N9.ND2 and Q16.NE2 other bump:2.74712 Ang N9.ND2 and Q16.CD T0187 43 :VILCSAGTDGTDGPTDAAGGI 1k3fA 87 :RTFLRIGTTGAIQPHINVGDV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.65457 Ang T12.CG2 and D17.OD2 self-bump: 1.39004 Ang D17.CA and D17.CB T0187 64 :VDGSTAKTLKAMGEDPYQYLKNNDSYNALKKSG 1k3fA 116 :LDGASLHFAPLEFPAVADFECTTALVEAAKSIG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.6349 Ang N24.ND2 and N28.ND2 other bump:2.88778 Ang N23.ND2 and Y27.CE2 other bump:2.32729 Ang E15.O and P17.CD other bump:2.6489 Ang E15.C and P17.CD T0187 97 :ALLITGPTGTNVNDLIIGLI 1k3fA 160 :DTFYPGQERYDTYSGRVVRH Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 2.6645 Ang I18.CG2 and G19.N other bump:2.94216 Ang D15.OD1 and I18.CG2 other bump:2.91059 Ang D15.CB and I18.CG1 other bump:2.62898 Ang D15.CG and I18.CG1 self-bump: 1.36011 Ang I18.CA and I18.CB self-bump: 1.29693 Ang L16.CA and L16.CB self-bump: 2.20063 Ang D15.CB and D15.C self-bump: 1.3352 Ang D15.CA and D15.CB neighbor-bump: 2.50996 Ang N12.O and V13.CG2 self-bump: 1.28484 Ang N12.CA and N12.CB neighbor-bump: 2.09133 Ang G10.O and T11.OG1 other bump:2.66347 Ang T9.CG2 and T11.OG1 neighbor-bump: 2.51206 Ang G10.C and T11.OG1 neighbor-bump: 2.22613 Ang T6.CB and G7.N neighbor-bump: 2.29798 Ang T6.OG1 and G7.N Number of specific fragments= 6 total=602 Number of alignments=142 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1k3fA read from T0187-1k3fA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1k3fA in template set T0187 1 :LKK 1k3fA 1 :MSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 5 :AALIFG 1k3fA 21 :LAIVPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1k3fA 60 :KPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.1815 Ang L26.O and E27.CG neighbor-bump: 2.72185 Ang L26.C and E27.CG other bump:2.42891 Ang L20.CD1 and I24.CD1 other bump:2.47007 Ang G13.C and E17.OE2 other bump:1.87896 Ang G13.O and E17.OE2 other bump:2.27721 Ang R14.CA and E17.OE1 other bump:2.62749 Ang R14.C and E17.OE1 other bump:2.01238 Ang G13.C and E17.OE1 other bump:1.17016 Ang G13.O and E17.OE1 other bump:3.30163 Ang R14.CA and E17.CD other bump:2.54151 Ang G13.C and E17.CD other bump:1.54275 Ang G13.O and E17.CD other bump:2.1368 Ang N9.ND2 and Q16.NE2 other bump:2.74712 Ang N9.ND2 and Q16.CD T0187 43 :VILCSAGTDG 1k3fA 87 :RTFLRIGTTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 53 :TDGPTDAAG 1k3fA 116 :LDGASLHFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.55447 Ang G4.N and P5.CD T0187 62 :GIVDGSTAKTL 1k3fA 130 :AVADFECTTAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.86304 Ang V4.CG1 and A9.CB T0187 89 :YNALKKSG 1k3fA 141 :VEAAKSIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 97 :ALLITGPTGTNVND 1k3fA 160 :DTFYPGQERYDTYS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues self-bump: 2.192 Ang D15.CB and D15.C self-bump: 1.28437 Ang D15.CA and D15.CB neighbor-bump: 2.50996 Ang N12.O and V13.CG2 self-bump: 1.28484 Ang N12.CA and N12.CB neighbor-bump: 2.09133 Ang G10.O and T11.OG1 other bump:2.66347 Ang T9.CG2 and T11.OG1 neighbor-bump: 2.51206 Ang G10.C and T11.OG1 neighbor-bump: 2.22613 Ang T6.CB and G7.N neighbor-bump: 2.29798 Ang T6.OG1 and G7.N Number of specific fragments= 8 total=610 Number of alignments=143 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1k3fA read from T0187-1k3fA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1k3fA in template set T0187 1 :LKK 1k3fA 1 :MSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 4 :PAAL 1k3fA 20 :TLAI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 1.82789 Ang G1.C and P2.CD T0187 8 :IFGGETVVHVK 1k3fA 56 :ELDGKPVIVCS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 3.05889 Ang G1.C and I2.CG1 T0187 20 :NGIGGRNQELALSAAIAL 1k3fA 67 :TGIGGPSTSIAVEELAQL Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.42891 Ang L13.CD1 and I17.CD1 other bump:2.8192 Ang N2.CG and A12.CB other bump:1.64519 Ang N2.ND2 and A12.CB other bump:2.47007 Ang G6.C and E10.OE2 other bump:1.87896 Ang G6.O and E10.OE2 other bump:2.62749 Ang R7.C and E10.OE1 other bump:2.01238 Ang G6.C and E10.OE1 other bump:2.27721 Ang R7.CA and E10.OE1 other bump:1.17016 Ang G6.O and E10.OE1 other bump:2.54151 Ang G6.C and E10.CD other bump:3.30163 Ang R7.CA and E10.CD other bump:1.54275 Ang G6.O and E10.CD other bump:2.31256 Ang N2.OD1 and Q9.NE2 other bump:3.06445 Ang N2.CG and Q9.CD other bump:2.69145 Ang N2.OD1 and Q9.CD self-bump: 2.1658 Ang N2.CB and N2.C T0187 39 :GIEGVILCSAG 1k3fA 85 :GIRTFLRIGTT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.3818 Ang S10.CB and A11.N T0187 50 :TDG 1k3fA 103 :NVG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.27738 Ang G1.O and T2.OG1 T0187 53 :TDGPTDAAG 1k3fA 116 :LDGASLHFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.55447 Ang G4.N and P5.CD T0187 62 :GIVDGSTAKTL 1k3fA 130 :AVADFECTTAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.86304 Ang V4.CG1 and A9.CB T0187 73 :KAMGED 1k3fA 145 :KSIGAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 79 :PYQYLKNN 1k3fA 184 :MEEWQAMG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 3.0337 Ang Y3.CD1 and Q4.NE2 neighbor-bump: 2.65862 Ang Y3.CE1 and Q4.NE2 self-bump: 1.36505 Ang Q4.CA and Q4.CB self-bump: 1.3855 Ang P2.CA and P2.CB T0187 87 :DSYNALKKSGA 1k3fA 198 :ESATLLTMCAS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues self-bump: 1.39625 Ang S10.CA and S10.CB T0187 98 :LLITGPTGT 1k3fA 219 :VIVNRTQQE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.90865 Ang G6.CA and P7.CD neighbor-bump: 2.48423 Ang G6.N and P7.CD neighbor-bump: 1.57651 Ang G6.O and P7.CD neighbor-bump: 0.899515 Ang G6.C and P7.CD neighbor-bump: 1.94266 Ang G6.O and P7.CG neighbor-bump: 2.13514 Ang G6.C and P7.CG T0187 116 :IV 1k3fA 228 :IP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues neighbor-bump: 2.95277 Ang I2.CB and V3.CA Number of specific fragments= 13 total=623 Number of alignments=144 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1k3fA read from T0187-1k3fA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1k3fA in template set T0187 1 :LKK 1k3fA 1 :MSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 4 :PAAL 1k3fA 20 :TLAI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 1.82789 Ang G1.C and P2.CD T0187 8 :IFGGETVVH 1k3fA 56 :ELDGKPVIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.05889 Ang G1.C and I2.CG1 T0187 18 :KGNGIGGRNQELALSAAIAL 1k3fA 65 :CSTGIGGPSTSIAVEELAQL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.42891 Ang L15.CD1 and I19.CD1 other bump:2.47007 Ang G8.C and E12.OE2 other bump:1.87896 Ang G8.O and E12.OE2 other bump:2.01238 Ang G8.C and E12.OE1 other bump:2.27721 Ang R9.CA and E12.OE1 other bump:2.62749 Ang R9.C and E12.OE1 other bump:1.17016 Ang G8.O and E12.OE1 other bump:2.54151 Ang G8.C and E12.CD other bump:3.30163 Ang R9.CA and E12.CD other bump:1.54275 Ang G8.O and E12.CD other bump:2.1368 Ang N4.ND2 and Q11.NE2 other bump:2.74712 Ang N4.ND2 and Q11.CD T0187 39 :GIEGVILCSAG 1k3fA 85 :GIRTFLRIGTT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.3818 Ang S10.CB and A11.N T0187 50 :TDG 1k3fA 103 :NVG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.27738 Ang G1.O and T2.OG1 T0187 53 :TDGPTDAAG 1k3fA 116 :LDGASLHFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.55447 Ang G4.N and P5.CD T0187 62 :GIVDGSTAKTL 1k3fA 130 :AVADFECTTAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.86304 Ang V4.CG1 and A9.CB T0187 73 :KAMGED 1k3fA 145 :KSIGAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 79 :PYQYLKN 1k3fA 184 :MEEWQAM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 3.0337 Ang Y3.CD1 and Q4.NE2 neighbor-bump: 2.65862 Ang Y3.CE1 and Q4.NE2 self-bump: 1.36505 Ang Q4.CA and Q4.CB self-bump: 1.3855 Ang P2.CA and P2.CB T0187 86 :NDSYNALKKSGA 1k3fA 197 :MESATLLTMCAS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.39625 Ang S11.CA and S11.CB T0187 98 :LLITGPTGT 1k3fA 219 :VIVNRTQQE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.90865 Ang G6.CA and P7.CD neighbor-bump: 2.48423 Ang G6.N and P7.CD neighbor-bump: 1.57651 Ang G6.O and P7.CD neighbor-bump: 0.899515 Ang G6.C and P7.CD neighbor-bump: 1.94266 Ang G6.O and P7.CG neighbor-bump: 2.13514 Ang G6.C and P7.CG T0187 107 :NV 1k3fA 230 :NA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 13 total=636 Number of alignments=145 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1k3fA read from T0187-1k3fA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1k3fA in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1k3fA 60 :KPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.1815 Ang L26.O and E27.CG neighbor-bump: 2.72185 Ang L26.C and E27.CG other bump:2.42891 Ang L20.CD1 and I24.CD1 other bump:2.47007 Ang G13.C and E17.OE2 other bump:1.87896 Ang G13.O and E17.OE2 other bump:2.27721 Ang R14.CA and E17.OE1 other bump:2.62749 Ang R14.C and E17.OE1 other bump:2.01238 Ang G13.C and E17.OE1 other bump:1.17016 Ang G13.O and E17.OE1 other bump:3.30163 Ang R14.CA and E17.CD other bump:2.54151 Ang G13.C and E17.CD other bump:1.54275 Ang G13.O and E17.CD other bump:2.1368 Ang N9.ND2 and Q16.NE2 other bump:2.74712 Ang N9.ND2 and Q16.CD T0187 43 :VILCSAGTDG 1k3fA 87 :RTFLRIGTTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 2 total=638 Number of alignments=146 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1k3fA read from T0187-1k3fA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1k3fA in template set T0187 11 :GE 1k3fA 59 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 14 :VVHVKGNGIGGRNQELALSAAIALEG 1k3fA 61 :PVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues neighbor-bump: 2.1815 Ang L25.O and E26.CG neighbor-bump: 2.72185 Ang L25.C and E26.CG other bump:2.42891 Ang L19.CD1 and I23.CD1 other bump:1.87896 Ang G12.O and E16.OE2 other bump:2.47007 Ang G12.C and E16.OE2 other bump:2.27721 Ang R13.CA and E16.OE1 other bump:2.62749 Ang R13.C and E16.OE1 other bump:1.17016 Ang G12.O and E16.OE1 other bump:2.01238 Ang G12.C and E16.OE1 other bump:3.30163 Ang R13.CA and E16.CD other bump:1.54275 Ang G12.O and E16.CD other bump:2.54151 Ang G12.C and E16.CD other bump:2.1368 Ang N8.ND2 and Q15.NE2 other bump:2.74712 Ang N8.ND2 and Q15.CD T0187 43 :VILCSAGTDGT 1k3fA 87 :RTFLRIGTTGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 3 total=641 Number of alignments=147 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1k3fA read from T0187-1k3fA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1k3fA in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1k3fA 60 :KPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.1815 Ang L26.O and E27.CG neighbor-bump: 2.72185 Ang L26.C and E27.CG other bump:2.42891 Ang L20.CD1 and I24.CD1 other bump:2.47007 Ang G13.C and E17.OE2 other bump:1.87896 Ang G13.O and E17.OE2 other bump:2.27721 Ang R14.CA and E17.OE1 other bump:2.62749 Ang R14.C and E17.OE1 other bump:2.01238 Ang G13.C and E17.OE1 other bump:1.17016 Ang G13.O and E17.OE1 other bump:3.30163 Ang R14.CA and E17.CD other bump:2.54151 Ang G13.C and E17.CD other bump:1.54275 Ang G13.O and E17.CD other bump:2.1368 Ang N9.ND2 and Q16.NE2 other bump:2.74712 Ang N9.ND2 and Q16.CD T0187 43 :VILCSAGTDG 1k3fA 87 :RTFLRIGTTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 2 total=643 Number of alignments=148 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1k3fA read from T0187-1k3fA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1k3fA in template set T0187 11 :GE 1k3fA 59 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 14 :VVHVKGNGIGGRNQELALSAAIALEG 1k3fA 61 :PVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues neighbor-bump: 2.1815 Ang L25.O and E26.CG neighbor-bump: 2.72185 Ang L25.C and E26.CG other bump:2.42891 Ang L19.CD1 and I23.CD1 other bump:1.87896 Ang G12.O and E16.OE2 other bump:2.47007 Ang G12.C and E16.OE2 other bump:2.27721 Ang R13.CA and E16.OE1 other bump:2.62749 Ang R13.C and E16.OE1 other bump:1.17016 Ang G12.O and E16.OE1 other bump:2.01238 Ang G12.C and E16.OE1 other bump:3.30163 Ang R13.CA and E16.CD other bump:1.54275 Ang G12.O and E16.CD other bump:2.54151 Ang G12.C and E16.CD other bump:2.1368 Ang N8.ND2 and Q15.NE2 other bump:2.74712 Ang N8.ND2 and Q15.CD T0187 43 :VILCSAGTDGT 1k3fA 87 :RTFLRIGTTGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 3 total=646 Number of alignments=149 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-local-adpstyle1.pw.a2m.gz # 1k3fA read from T0187-1k3fA-local-adpstyle1.pw.a2m.gz # found chain 1k3fA in template set T0187 15 :VHVKGNGIGGRNQELALSAAIAL 1k3fA 62 :VIVCSTGIGGPSTSIAVEELAQL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.42891 Ang L18.CD1 and I22.CD1 other bump:1.87896 Ang G11.O and E15.OE2 other bump:2.47007 Ang G11.C and E15.OE2 other bump:1.17016 Ang G11.O and E15.OE1 other bump:2.01238 Ang G11.C and E15.OE1 other bump:2.27721 Ang R12.CA and E15.OE1 other bump:2.62749 Ang R12.C and E15.OE1 other bump:1.54275 Ang G11.O and E15.CD other bump:2.54151 Ang G11.C and E15.CD other bump:3.30163 Ang R12.CA and E15.CD other bump:2.1368 Ang N7.ND2 and Q14.NE2 other bump:2.74712 Ang N7.ND2 and Q14.CD Number of specific fragments= 1 total=647 Number of alignments=150 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-local-adpstyle5.pw.a2m.gz # 1k3fA read from T0187-1k3fA-local-adpstyle5.pw.a2m.gz # found chain 1k3fA in template set T0187 14 :VVHVKGNGIGGRNQELALSAAIAL 1k3fA 61 :PVIVCSTGIGGPSTSIAVEELAQL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.42891 Ang L19.CD1 and I23.CD1 other bump:1.87896 Ang G12.O and E16.OE2 other bump:2.47007 Ang G12.C and E16.OE2 other bump:2.27721 Ang R13.CA and E16.OE1 other bump:2.62749 Ang R13.C and E16.OE1 other bump:1.17016 Ang G12.O and E16.OE1 other bump:2.01238 Ang G12.C and E16.OE1 other bump:3.30163 Ang R13.CA and E16.CD other bump:1.54275 Ang G12.O and E16.CD other bump:2.54151 Ang G12.C and E16.CD other bump:2.1368 Ang N8.ND2 and Q15.NE2 other bump:2.74712 Ang N8.ND2 and Q15.CD T0187 41 :EGVILCSAGTDGTDGPTDAAGGIVDGSTAKTLK 1k3fA 85 :GIRTFLRIGTTGAIQPHINVGDVLVTTASVRLD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.4517 Ang K34.CB and G35.N other bump:2.65457 Ang T14.CG2 and D19.OD2 self-bump: 1.39004 Ang D19.CA and D19.CB neighbor-bump: 2.18151 Ang G1.O and E2.CG neighbor-bump: 2.72185 Ang G1.C and E2.CG Number of specific fragments= 2 total=649 Number of alignments=151 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-simpleSW-adpstyle1.pw.a2m.gz # 1k3fA read from T0187-1k3fA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1k3fA in template set T0187 43 :VILCSAGTDG 1k3fA 62 :VIVCSTGIGG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.34266 Ang D10.CB and G11.N self-bump: 2.1674 Ang D10.CB and D10.C self-bump: 1.30922 Ang D10.CA and D10.CB neighbor-bump: 2.6558 Ang I3.O and L4.CD2 Number of specific fragments= 1 total=650 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-simpleSW-adpstyle5.pw.a2m.gz # 1k3fA read from T0187-1k3fA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1k3fA in template set T0187 15 :VHVKGNGIGGRNQELA 1k3fA 62 :VIVCSTGIGGPSTSIA Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:1.87896 Ang G11.O and E15.OE2 other bump:2.47007 Ang G11.C and E15.OE2 other bump:1.17016 Ang G11.O and E15.OE1 other bump:2.01238 Ang G11.C and E15.OE1 other bump:2.27721 Ang R12.CA and E15.OE1 other bump:2.62749 Ang R12.C and E15.OE1 other bump:1.54275 Ang G11.O and E15.CD other bump:2.54151 Ang G11.C and E15.CD other bump:3.30163 Ang R12.CA and E15.CD other bump:2.1368 Ang N7.ND2 and Q14.NE2 other bump:2.74712 Ang N7.ND2 and Q14.CD Number of specific fragments= 1 total=651 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-vit-adpstyle1.pw.a2m.gz # 1k3fA read from T0187-1k3fA-vit-adpstyle1.pw.a2m.gz # found chain 1k3fA in template set T0187 15 :VHVKGNGIGGRNQELALSAAIAL 1k3fA 62 :VIVCSTGIGGPSTSIAVEELAQL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.42891 Ang L18.CD1 and I22.CD1 other bump:1.87896 Ang G11.O and E15.OE2 other bump:2.47007 Ang G11.C and E15.OE2 other bump:1.17016 Ang G11.O and E15.OE1 other bump:2.01238 Ang G11.C and E15.OE1 other bump:2.27721 Ang R12.CA and E15.OE1 other bump:2.62749 Ang R12.C and E15.OE1 other bump:1.54275 Ang G11.O and E15.CD other bump:2.54151 Ang G11.C and E15.CD other bump:3.30163 Ang R12.CA and E15.CD other bump:2.1368 Ang N7.ND2 and Q14.NE2 other bump:2.74712 Ang N7.ND2 and Q14.CD Number of specific fragments= 1 total=652 Number of alignments=152 # Reading fragments from alignment file # T0187 read from T0187-1k3fA-vit-adpstyle5.pw.a2m.gz # 1k3fA read from T0187-1k3fA-vit-adpstyle5.pw.a2m.gz # found chain 1k3fA in template set T0187 14 :VVHVKGNGIGGRNQELALSAAIAL 1k3fA 61 :PVIVCSTGIGGPSTSIAVEELAQL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.42891 Ang L19.CD1 and I23.CD1 other bump:1.87896 Ang G12.O and E16.OE2 other bump:2.47007 Ang G12.C and E16.OE2 other bump:2.27721 Ang R13.CA and E16.OE1 other bump:2.62749 Ang R13.C and E16.OE1 other bump:1.17016 Ang G12.O and E16.OE1 other bump:2.01238 Ang G12.C and E16.OE1 other bump:3.30163 Ang R13.CA and E16.CD other bump:1.54275 Ang G12.O and E16.CD other bump:2.54151 Ang G12.C and E16.CD other bump:2.1368 Ang N8.ND2 and Q15.NE2 other bump:2.74712 Ang N8.ND2 and Q15.CD T0187 41 :EGVILCSAGTDGTDGPTDAAGGIVDGSTAKTLK 1k3fA 85 :GIRTFLRIGTTGAIQPHINVGDVLVTTASVRLD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.4517 Ang K34.CB and G35.N other bump:2.65457 Ang T14.CG2 and D19.OD2 self-bump: 1.39004 Ang D19.CA and D19.CB neighbor-bump: 2.18151 Ang G1.O and E2.CG neighbor-bump: 2.72185 Ang G1.C and E2.CG Number of specific fragments= 2 total=654 Number of alignments=153 # Prefix for input files set to 1lx7A/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1lx7A-T0187-local-adpstyle1.pw.a2m.gz # 1lx7A read from 1lx7A-T0187-local-adpstyle1.pw.a2m.gz # found chain 1lx7A in template set T0187 15 :VHVKGNGIGGRNQELALSAAIA 1lx7A 62 :VIVCSTGIGGPSTSIAVEELAQ Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.68581 Ang N7.ND2 and A17.CB other bump:2.38673 Ang G11.O and E15.OE2 other bump:2.73983 Ang G11.C and E15.OE2 other bump:1.10646 Ang G11.O and E15.OE1 other bump:1.91688 Ang G11.C and E15.OE1 other bump:2.54858 Ang R12.CA and E15.OE1 other bump:1.88574 Ang G11.O and E15.CD other bump:2.64874 Ang G11.C and E15.CD other bump:2.11062 Ang N7.CG and Q14.NE2 other bump:2.26242 Ang N7.ND2 and Q14.NE2 other bump:1.72809 Ang N7.OD1 and Q14.NE2 other bump:2.14561 Ang N7.CB and Q14.OE1 other bump:1.74077 Ang N7.CG and Q14.OE1 other bump:1.67239 Ang N7.OD1 and Q14.OE1 other bump:2.99538 Ang N7.CB and Q14.CD other bump:1.98084 Ang N7.CG and Q14.CD other bump:2.37557 Ang N7.ND2 and Q14.CD other bump:1.88759 Ang N7.OD1 and Q14.CD self-bump: 2.08589 Ang N7.CB and N7.C other bump:2.87982 Ang H3.CE1 and K5.CB other bump:2.24426 Ang H3.NE2 and K5.CB T0187 38 :EGIEGVI 1lx7A 84 :LGIRTFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 2 total=656 Number of alignments=154 # Reading fragments from alignment file # T0187 read from 1lx7A-T0187-local-adpstyle5.pw.a2m.gz # 1lx7A read from 1lx7A-T0187-local-adpstyle5.pw.a2m.gz # found chain 1lx7A in template set T0187 15 :VHVKGNGIGGRNQELALSAAIA 1lx7A 62 :VIVCSTGIGGPSTSIAVEELAQ Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.68581 Ang N7.ND2 and A17.CB other bump:2.38673 Ang G11.O and E15.OE2 other bump:2.73983 Ang G11.C and E15.OE2 other bump:1.10646 Ang G11.O and E15.OE1 other bump:1.91688 Ang G11.C and E15.OE1 other bump:2.54858 Ang R12.CA and E15.OE1 other bump:1.88574 Ang G11.O and E15.CD other bump:2.64874 Ang G11.C and E15.CD other bump:2.11062 Ang N7.CG and Q14.NE2 other bump:2.26242 Ang N7.ND2 and Q14.NE2 other bump:1.72809 Ang N7.OD1 and Q14.NE2 other bump:2.14561 Ang N7.CB and Q14.OE1 other bump:1.74077 Ang N7.CG and Q14.OE1 other bump:1.67239 Ang N7.OD1 and Q14.OE1 other bump:2.99538 Ang N7.CB and Q14.CD other bump:1.98084 Ang N7.CG and Q14.CD other bump:2.37557 Ang N7.ND2 and Q14.CD other bump:1.88759 Ang N7.OD1 and Q14.CD self-bump: 2.08589 Ang N7.CB and N7.C other bump:2.87982 Ang H3.CE1 and K5.CB other bump:2.24426 Ang H3.NE2 and K5.CB T0187 38 :EGIEGVIL 1lx7A 84 :LGIRTFLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 2 total=658 Number of alignments=155 # Reading fragments from alignment file # T0187 read from 1lx7A-T0187-vit-adpstyle1.pw.a2m.gz # 1lx7A read from 1lx7A-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1lx7A in template set T0187 15 :VHVKGNGIGGRNQELALSAAIA 1lx7A 62 :VIVCSTGIGGPSTSIAVEELAQ Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.68581 Ang N7.ND2 and A17.CB other bump:2.38673 Ang G11.O and E15.OE2 other bump:2.73983 Ang G11.C and E15.OE2 other bump:1.10646 Ang G11.O and E15.OE1 other bump:1.91688 Ang G11.C and E15.OE1 other bump:2.54858 Ang R12.CA and E15.OE1 other bump:1.88574 Ang G11.O and E15.CD other bump:2.64874 Ang G11.C and E15.CD other bump:2.11062 Ang N7.CG and Q14.NE2 other bump:2.26242 Ang N7.ND2 and Q14.NE2 other bump:1.72809 Ang N7.OD1 and Q14.NE2 other bump:2.14561 Ang N7.CB and Q14.OE1 other bump:1.74077 Ang N7.CG and Q14.OE1 other bump:1.67239 Ang N7.OD1 and Q14.OE1 other bump:2.99538 Ang N7.CB and Q14.CD other bump:1.98084 Ang N7.CG and Q14.CD other bump:2.37557 Ang N7.ND2 and Q14.CD other bump:1.88759 Ang N7.OD1 and Q14.CD self-bump: 2.08589 Ang N7.CB and N7.C other bump:2.87982 Ang H3.CE1 and K5.CB other bump:2.24426 Ang H3.NE2 and K5.CB T0187 38 :EGIEGVI 1lx7A 84 :LGIRTFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 2 total=660 Number of alignments=156 # Reading fragments from alignment file # T0187 read from 1lx7A-T0187-vit-adpstyle5.pw.a2m.gz # 1lx7A read from 1lx7A-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1lx7A in template set T0187 15 :VHVKGNGIGGRNQELALSAAIA 1lx7A 62 :VIVCSTGIGGPSTSIAVEELAQ Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.68581 Ang N7.ND2 and A17.CB other bump:2.38673 Ang G11.O and E15.OE2 other bump:2.73983 Ang G11.C and E15.OE2 other bump:1.10646 Ang G11.O and E15.OE1 other bump:1.91688 Ang G11.C and E15.OE1 other bump:2.54858 Ang R12.CA and E15.OE1 other bump:1.88574 Ang G11.O and E15.CD other bump:2.64874 Ang G11.C and E15.CD other bump:2.11062 Ang N7.CG and Q14.NE2 other bump:2.26242 Ang N7.ND2 and Q14.NE2 other bump:1.72809 Ang N7.OD1 and Q14.NE2 other bump:2.14561 Ang N7.CB and Q14.OE1 other bump:1.74077 Ang N7.CG and Q14.OE1 other bump:1.67239 Ang N7.OD1 and Q14.OE1 other bump:2.99538 Ang N7.CB and Q14.CD other bump:1.98084 Ang N7.CG and Q14.CD other bump:2.37557 Ang N7.ND2 and Q14.CD other bump:1.88759 Ang N7.OD1 and Q14.CD self-bump: 2.08589 Ang N7.CB and N7.C other bump:2.87982 Ang H3.CE1 and K5.CB other bump:2.24426 Ang H3.NE2 and K5.CB T0187 38 :EGIEGVIL 1lx7A 84 :LGIRTFLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 2 total=662 Number of alignments=157 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1lx7A read from T0187-1lx7A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1lx7A in template set T0187 4 :PAALIFGGETV 1lx7A 41 :PVKLASHREFT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.52871 Ang F7.CD1 and V12.CB other bump:2.76383 Ang G8.C and T11.OG1 other bump:1.62975 Ang G8.O and T11.OG1 T0187 15 :VHVKGNGIGGRNQELALSAAIALEG 1lx7A 62 :VIVCSTGIGGPSTSIAVEELAQLGI Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68581 Ang N7.ND2 and A17.CB other bump:2.73983 Ang G11.C and E15.OE2 other bump:2.38673 Ang G11.O and E15.OE2 other bump:1.91688 Ang G11.C and E15.OE1 other bump:1.10646 Ang G11.O and E15.OE1 other bump:2.54858 Ang R12.CA and E15.OE1 other bump:2.64874 Ang G11.C and E15.CD other bump:1.88574 Ang G11.O and E15.CD other bump:2.11062 Ang N7.CG and Q14.NE2 other bump:1.72809 Ang N7.OD1 and Q14.NE2 other bump:2.26242 Ang N7.ND2 and Q14.NE2 other bump:2.14561 Ang N7.CB and Q14.OE1 other bump:1.74077 Ang N7.CG and Q14.OE1 other bump:1.67239 Ang N7.OD1 and Q14.OE1 other bump:2.99538 Ang N7.CB and Q14.CD other bump:1.98084 Ang N7.CG and Q14.CD other bump:1.88759 Ang N7.OD1 and Q14.CD other bump:2.37557 Ang N7.ND2 and Q14.CD self-bump: 2.08589 Ang N7.CB and N7.C other bump:2.87982 Ang H3.CE1 and K5.CB other bump:2.24426 Ang H3.NE2 and K5.CB T0187 43 :VILCSAGTDGTDGPTDAAG 1lx7A 87 :RTFLRIGTTGAIQPHINVG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 62 :GIVDGSTAKTLKAMGEDPYQYLKNNDSYNALKKSG 1lx7A 114 :VRLDGASLHFAPLEFPAVADFECTTALVEAAKSIG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:1.65951 Ang E17.O and P19.CD other bump:3.30561 Ang E17.CA and P19.CD other bump:2.22611 Ang E17.C and P19.CD neighbor-bump: 2.45283 Ang T11.O and L12.CG other bump:2.25019 Ang I3.CG2 and D5.OD1 T0187 97 :ALLITGPTGTNVNDLIIGLI 1lx7A 160 :DTFYPGQERYDTYSGRVVRH Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.83757 Ang T9.CG2 and I18.CD1 other bump:3.20601 Ang T9.CG2 and I18.CG1 other bump:2.20167 Ang T11.O and L16.CD2 other bump:2.76669 Ang V13.CG2 and L16.N self-bump: 1.36582 Ang N14.CA and N14.CB other bump:2.61448 Ang I5.CG2 and V13.CG1 other bump:2.32371 Ang L3.CD2 and G7.N other bump:2.7741 Ang L3.CD2 and T6.C other bump:2.66124 Ang L3.CD2 and T6.CB other bump:2.42369 Ang L3.CD2 and T6.CA other bump:3.11287 Ang L3.CG and T6.N other bump:1.8849 Ang L3.CD2 and T6.N other bump:2.77515 Ang L3.CD2 and I5.C Number of specific fragments= 5 total=667 Number of alignments=158 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1lx7A read from T0187-1lx7A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1lx7A in template set T0187 4 :PAALIFG 1lx7A 20 :TLAIVPG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.07815 Ang G1.C and P2.CD T0187 13 :T 1lx7A 50 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 15 :VHVKGNGIGGRNQELALSAAIALEG 1lx7A 62 :VIVCSTGIGGPSTSIAVEELAQLGI Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68581 Ang N7.ND2 and A17.CB other bump:2.73983 Ang G11.C and E15.OE2 other bump:2.38673 Ang G11.O and E15.OE2 other bump:1.91688 Ang G11.C and E15.OE1 other bump:1.10646 Ang G11.O and E15.OE1 other bump:2.54858 Ang R12.CA and E15.OE1 other bump:2.64874 Ang G11.C and E15.CD other bump:1.88574 Ang G11.O and E15.CD other bump:2.11062 Ang N7.CG and Q14.NE2 other bump:1.72809 Ang N7.OD1 and Q14.NE2 other bump:2.26242 Ang N7.ND2 and Q14.NE2 other bump:2.14561 Ang N7.CB and Q14.OE1 other bump:1.74077 Ang N7.CG and Q14.OE1 other bump:1.67239 Ang N7.OD1 and Q14.OE1 other bump:2.99538 Ang N7.CB and Q14.CD other bump:1.98084 Ang N7.CG and Q14.CD other bump:1.88759 Ang N7.OD1 and Q14.CD other bump:2.37557 Ang N7.ND2 and Q14.CD self-bump: 2.08589 Ang N7.CB and N7.C other bump:2.87982 Ang H3.CE1 and K5.CB other bump:2.24426 Ang H3.NE2 and K5.CB T0187 43 :VILCSAGTDG 1lx7A 87 :RTFLRIGTTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 53 :TDGPTDAAG 1lx7A 116 :LDGASLHFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.59439 Ang G4.N and P5.CD T0187 62 :GIVDGSTAKTL 1lx7A 130 :AVADFECTTAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 73 :KAMGED 1lx7A 145 :KSIGAT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.10389 Ang M4.CB and E6.OE2 other bump:2.57813 Ang M4.CE and E6.OE2 other bump:1.49502 Ang G1.O and E6.OE1 other bump:2.47728 Ang G1.C and E6.OE1 other bump:2.88189 Ang M4.CB and E6.CD T0187 97 :ALLITGPTGTNVNDLIIG 1lx7A 160 :DTFYPGQERYDTYSGRVV Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.83757 Ang T9.CG2 and I18.CD1 other bump:3.20601 Ang T9.CG2 and I18.CG1 other bump:2.20167 Ang T11.O and L16.CD2 other bump:2.76669 Ang V13.CG2 and L16.N self-bump: 1.36582 Ang N14.CA and N14.CB other bump:2.61448 Ang I5.CG2 and V13.CG1 other bump:2.32371 Ang L3.CD2 and G7.N other bump:2.7741 Ang L3.CD2 and T6.C other bump:2.66124 Ang L3.CD2 and T6.CB other bump:2.42369 Ang L3.CD2 and T6.CA other bump:3.11287 Ang L3.CG and T6.N other bump:1.8849 Ang L3.CD2 and T6.N other bump:2.77515 Ang L3.CD2 and I5.C Number of specific fragments= 8 total=675 Number of alignments=159 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1lx7A read from T0187-1lx7A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1lx7A in template set T0187 14 :VVHVKGNGIGGRNQELALSAAIALEG 1lx7A 61 :PVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.68581 Ang N8.ND2 and A18.CB other bump:2.73983 Ang G12.C and E16.OE2 other bump:2.38673 Ang G12.O and E16.OE2 other bump:1.91688 Ang G12.C and E16.OE1 other bump:1.10646 Ang G12.O and E16.OE1 other bump:2.54858 Ang R13.CA and E16.OE1 other bump:2.64874 Ang G12.C and E16.CD other bump:1.88574 Ang G12.O and E16.CD other bump:2.11062 Ang N8.CG and Q15.NE2 other bump:1.72809 Ang N8.OD1 and Q15.NE2 other bump:2.26242 Ang N8.ND2 and Q15.NE2 other bump:2.14561 Ang N8.CB and Q15.OE1 other bump:1.74077 Ang N8.CG and Q15.OE1 other bump:1.67239 Ang N8.OD1 and Q15.OE1 other bump:2.99538 Ang N8.CB and Q15.CD other bump:1.98084 Ang N8.CG and Q15.CD other bump:1.88759 Ang N8.OD1 and Q15.CD other bump:2.37557 Ang N8.ND2 and Q15.CD self-bump: 2.08589 Ang N8.CB and N8.C other bump:2.87982 Ang H4.CE1 and K6.CB other bump:2.24426 Ang H4.NE2 and K6.CB T0187 43 :VILCSAGTDGTDGPTDAAGGIV 1lx7A 87 :RTFLRIGTTGAIQPHINVGDVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues Number of specific fragments= 2 total=677 Number of alignments=160 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1lx7A read from T0187-1lx7A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1lx7A in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIALE 1lx7A 60 :KPVIVCSTGIGGPSTSIAVEELAQLG Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.68581 Ang N9.ND2 and A19.CB other bump:2.73983 Ang G13.C and E17.OE2 other bump:2.38673 Ang G13.O and E17.OE2 other bump:1.91688 Ang G13.C and E17.OE1 other bump:1.10646 Ang G13.O and E17.OE1 other bump:2.54858 Ang R14.CA and E17.OE1 other bump:2.64874 Ang G13.C and E17.CD other bump:1.88574 Ang G13.O and E17.CD other bump:2.11062 Ang N9.CG and Q16.NE2 other bump:1.72809 Ang N9.OD1 and Q16.NE2 other bump:2.26242 Ang N9.ND2 and Q16.NE2 other bump:1.74077 Ang N9.CG and Q16.OE1 other bump:1.67239 Ang N9.OD1 and Q16.OE1 other bump:2.14561 Ang N9.CB and Q16.OE1 other bump:1.98084 Ang N9.CG and Q16.CD other bump:1.88759 Ang N9.OD1 and Q16.CD other bump:2.99538 Ang N9.CB and Q16.CD other bump:2.37557 Ang N9.ND2 and Q16.CD self-bump: 2.08589 Ang N9.CB and N9.C other bump:2.87982 Ang H5.CE1 and K7.CB other bump:2.24426 Ang H5.NE2 and K7.CB T0187 42 :GVILCSAGTDGTDGPTDAAG 1lx7A 86 :IRTFLRIGTTGAIQPHINVG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues Number of specific fragments= 2 total=679 Number of alignments=161 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1lx7A read from T0187-1lx7A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1lx7A in template set T0187 4 :PAALIFGGETV 1lx7A 41 :PVKLASHREFT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.52871 Ang F7.CD1 and V12.CB other bump:2.76383 Ang G8.C and T11.OG1 other bump:1.62975 Ang G8.O and T11.OG1 T0187 15 :VHVKGNGIGGRNQELALSAAIALEG 1lx7A 62 :VIVCSTGIGGPSTSIAVEELAQLGI Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68581 Ang N7.ND2 and A17.CB other bump:2.73983 Ang G11.C and E15.OE2 other bump:2.38673 Ang G11.O and E15.OE2 other bump:1.91688 Ang G11.C and E15.OE1 other bump:1.10646 Ang G11.O and E15.OE1 other bump:2.54858 Ang R12.CA and E15.OE1 other bump:2.64874 Ang G11.C and E15.CD other bump:1.88574 Ang G11.O and E15.CD other bump:2.11062 Ang N7.CG and Q14.NE2 other bump:1.72809 Ang N7.OD1 and Q14.NE2 other bump:2.26242 Ang N7.ND2 and Q14.NE2 other bump:2.14561 Ang N7.CB and Q14.OE1 other bump:1.74077 Ang N7.CG and Q14.OE1 other bump:1.67239 Ang N7.OD1 and Q14.OE1 other bump:2.99538 Ang N7.CB and Q14.CD other bump:1.98084 Ang N7.CG and Q14.CD other bump:1.88759 Ang N7.OD1 and Q14.CD other bump:2.37557 Ang N7.ND2 and Q14.CD self-bump: 2.08589 Ang N7.CB and N7.C other bump:2.87982 Ang H3.CE1 and K5.CB other bump:2.24426 Ang H3.NE2 and K5.CB T0187 43 :VILCSAGTDGTDGPTDAAGGI 1lx7A 87 :RTFLRIGTTGAIQPHINVGDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues T0187 64 :VDGSTAKTLKAMGEDPYQYLKNNDSYNALKKSGALLITGPTGTN 1lx7A 116 :LDGASLHFAPLEFPAVADFECTTALVEAAKSIGATTHVGVTASS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 46 residues other bump:3.09324 Ang V2.CG1 and N45.ND2 other bump:2.81711 Ang L30.CG and L37.CD2 other bump:2.67428 Ang L30.CB and L37.CD2 other bump:2.24794 Ang L30.CD1 and L37.CD2 other bump:2.49806 Ang L30.CB and L37.CD1 other bump:2.9919 Ang L30.CB and L37.CG other bump:1.65951 Ang E15.O and P17.CD other bump:3.30561 Ang E15.CA and P17.CD other bump:2.22611 Ang E15.C and P17.CD neighbor-bump: 2.45283 Ang T9.O and L10.CG Number of specific fragments= 4 total=683 Number of alignments=162 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1lx7A read from T0187-1lx7A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1lx7A in template set T0187 3 :KPAALIFGGETV 1lx7A 40 :KPVKLASHREFT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.52871 Ang F8.CD1 and V13.CB other bump:2.76383 Ang G9.C and T12.OG1 other bump:1.62975 Ang G9.O and T12.OG1 T0187 15 :VHVKGNGIGGRNQELALSAAIALEG 1lx7A 62 :VIVCSTGIGGPSTSIAVEELAQLGI Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68581 Ang N7.ND2 and A17.CB other bump:2.73983 Ang G11.C and E15.OE2 other bump:2.38673 Ang G11.O and E15.OE2 other bump:1.91688 Ang G11.C and E15.OE1 other bump:1.10646 Ang G11.O and E15.OE1 other bump:2.54858 Ang R12.CA and E15.OE1 other bump:2.64874 Ang G11.C and E15.CD other bump:1.88574 Ang G11.O and E15.CD other bump:2.11062 Ang N7.CG and Q14.NE2 other bump:1.72809 Ang N7.OD1 and Q14.NE2 other bump:2.26242 Ang N7.ND2 and Q14.NE2 other bump:2.14561 Ang N7.CB and Q14.OE1 other bump:1.74077 Ang N7.CG and Q14.OE1 other bump:1.67239 Ang N7.OD1 and Q14.OE1 other bump:2.99538 Ang N7.CB and Q14.CD other bump:1.98084 Ang N7.CG and Q14.CD other bump:1.88759 Ang N7.OD1 and Q14.CD other bump:2.37557 Ang N7.ND2 and Q14.CD self-bump: 2.08589 Ang N7.CB and N7.C other bump:2.87982 Ang H3.CE1 and K5.CB other bump:2.24426 Ang H3.NE2 and K5.CB T0187 43 :VILCSAGTDG 1lx7A 87 :RTFLRIGTTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 53 :TDGPTDAAG 1lx7A 116 :LDGASLHFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.59439 Ang G4.N and P5.CD T0187 62 :GIVDGSTAKTL 1lx7A 130 :AVADFECTTAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 89 :YNALKKSGALLITGPTGTN 1lx7A 141 :VEAAKSIGATTHVGVTASS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.67428 Ang L5.CB and L12.CD2 other bump:2.81711 Ang L5.CG and L12.CD2 other bump:2.24794 Ang L5.CD1 and L12.CD2 other bump:2.49806 Ang L5.CB and L12.CD1 other bump:2.9919 Ang L5.CB and L12.CG Number of specific fragments= 6 total=689 Number of alignments=163 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1lx7A read from T0187-1lx7A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1lx7A in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1lx7A 60 :KPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.68581 Ang N9.ND2 and A19.CB other bump:2.73983 Ang G13.C and E17.OE2 other bump:2.38673 Ang G13.O and E17.OE2 other bump:1.91688 Ang G13.C and E17.OE1 other bump:1.10646 Ang G13.O and E17.OE1 other bump:2.54858 Ang R14.CA and E17.OE1 other bump:2.64874 Ang G13.C and E17.CD other bump:1.88574 Ang G13.O and E17.CD other bump:2.11062 Ang N9.CG and Q16.NE2 other bump:1.72809 Ang N9.OD1 and Q16.NE2 other bump:2.26242 Ang N9.ND2 and Q16.NE2 other bump:1.74077 Ang N9.CG and Q16.OE1 other bump:1.67239 Ang N9.OD1 and Q16.OE1 other bump:2.14561 Ang N9.CB and Q16.OE1 other bump:1.98084 Ang N9.CG and Q16.CD other bump:1.88759 Ang N9.OD1 and Q16.CD other bump:2.99538 Ang N9.CB and Q16.CD other bump:2.37557 Ang N9.ND2 and Q16.CD self-bump: 2.08589 Ang N9.CB and N9.C other bump:2.87982 Ang H5.CE1 and K7.CB other bump:2.24426 Ang H5.NE2 and K7.CB T0187 43 :VILCSAGTDGTDGPTDAAGGIV 1lx7A 87 :RTFLRIGTTGAIQPHINVGDVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues Number of specific fragments= 2 total=691 Number of alignments=164 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1lx7A read from T0187-1lx7A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1lx7A in template set T0187 10 :GG 1lx7A 58 :DG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1lx7A 60 :KPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.68581 Ang N9.ND2 and A19.CB other bump:2.73983 Ang G13.C and E17.OE2 other bump:2.38673 Ang G13.O and E17.OE2 other bump:1.91688 Ang G13.C and E17.OE1 other bump:1.10646 Ang G13.O and E17.OE1 other bump:2.54858 Ang R14.CA and E17.OE1 other bump:2.64874 Ang G13.C and E17.CD other bump:1.88574 Ang G13.O and E17.CD other bump:2.11062 Ang N9.CG and Q16.NE2 other bump:1.72809 Ang N9.OD1 and Q16.NE2 other bump:2.26242 Ang N9.ND2 and Q16.NE2 other bump:1.74077 Ang N9.CG and Q16.OE1 other bump:1.67239 Ang N9.OD1 and Q16.OE1 other bump:2.14561 Ang N9.CB and Q16.OE1 other bump:1.98084 Ang N9.CG and Q16.CD other bump:1.88759 Ang N9.OD1 and Q16.CD other bump:2.99538 Ang N9.CB and Q16.CD other bump:2.37557 Ang N9.ND2 and Q16.CD self-bump: 2.08589 Ang N9.CB and N9.C other bump:2.87982 Ang H5.CE1 and K7.CB other bump:2.24426 Ang H5.NE2 and K7.CB T0187 43 :VILCSAGTDGTDGPTDAAGGI 1lx7A 87 :RTFLRIGTTGAIQPHINVGDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues Number of specific fragments= 3 total=694 Number of alignments=165 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1lx7A read from T0187-1lx7A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1lx7A in template set T0187 5 :AALIFG 1lx7A 21 :LAIVPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 11 :GETVVHVKGNGIGGRNQELALSAAIALEG 1lx7A 58 :DGKPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.68581 Ang N11.ND2 and A21.CB other bump:2.73983 Ang G15.C and E19.OE2 other bump:2.38673 Ang G15.O and E19.OE2 other bump:1.91688 Ang G15.C and E19.OE1 other bump:1.10646 Ang G15.O and E19.OE1 other bump:2.54858 Ang R16.CA and E19.OE1 other bump:2.64874 Ang G15.C and E19.CD other bump:1.88574 Ang G15.O and E19.CD other bump:2.11062 Ang N11.CG and Q18.NE2 other bump:1.72809 Ang N11.OD1 and Q18.NE2 other bump:2.26242 Ang N11.ND2 and Q18.NE2 other bump:2.14561 Ang N11.CB and Q18.OE1 other bump:1.74077 Ang N11.CG and Q18.OE1 other bump:1.67239 Ang N11.OD1 and Q18.OE1 other bump:2.99538 Ang N11.CB and Q18.CD other bump:1.98084 Ang N11.CG and Q18.CD other bump:1.88759 Ang N11.OD1 and Q18.CD other bump:2.37557 Ang N11.ND2 and Q18.CD self-bump: 2.08589 Ang N11.CB and N11.C other bump:2.87982 Ang H7.CE1 and K9.CB other bump:2.24426 Ang H7.NE2 and K9.CB T0187 43 :VILCSAGTDGTDGPTDAAGGI 1lx7A 87 :RTFLRIGTTGAIQPHINVGDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues T0187 64 :VDGSTAKTLKAMGEDPYQYLKNNDSYNALKKSGALLITGPT 1lx7A 116 :LDGASLHFAPLEFPAVADFECTTALVEAAKSIGATTHVGVT Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.81711 Ang L30.CG and L37.CD2 other bump:2.67428 Ang L30.CB and L37.CD2 other bump:2.24794 Ang L30.CD1 and L37.CD2 other bump:2.49806 Ang L30.CB and L37.CD1 other bump:2.9919 Ang L30.CB and L37.CG other bump:1.65951 Ang E15.O and P17.CD other bump:3.30561 Ang E15.CA and P17.CD other bump:2.22611 Ang E15.C and P17.CD neighbor-bump: 2.45283 Ang T9.O and L10.CG Number of specific fragments= 4 total=698 Number of alignments=166 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1lx7A read from T0187-1lx7A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1lx7A in template set T0187 5 :AALIFG 1lx7A 21 :LAIVPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 13 :TVVHVKGNGIGGRNQELALSAAIALE 1lx7A 60 :KPVIVCSTGIGGPSTSIAVEELAQLG Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.68581 Ang N9.ND2 and A19.CB other bump:2.73983 Ang G13.C and E17.OE2 other bump:2.38673 Ang G13.O and E17.OE2 other bump:1.91688 Ang G13.C and E17.OE1 other bump:1.10646 Ang G13.O and E17.OE1 other bump:2.54858 Ang R14.CA and E17.OE1 other bump:2.64874 Ang G13.C and E17.CD other bump:1.88574 Ang G13.O and E17.CD other bump:2.11062 Ang N9.CG and Q16.NE2 other bump:1.72809 Ang N9.OD1 and Q16.NE2 other bump:2.26242 Ang N9.ND2 and Q16.NE2 other bump:1.74077 Ang N9.CG and Q16.OE1 other bump:1.67239 Ang N9.OD1 and Q16.OE1 other bump:2.14561 Ang N9.CB and Q16.OE1 other bump:1.98084 Ang N9.CG and Q16.CD other bump:1.88759 Ang N9.OD1 and Q16.CD other bump:2.99538 Ang N9.CB and Q16.CD other bump:2.37557 Ang N9.ND2 and Q16.CD self-bump: 2.08589 Ang N9.CB and N9.C other bump:2.87982 Ang H5.CE1 and K7.CB other bump:2.24426 Ang H5.NE2 and K7.CB T0187 42 :GVILCSAGTDG 1lx7A 86 :IRTFLRIGTTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 54 :DGPTDAAG 1lx7A 117 :DGASLHFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.59439 Ang G3.N and P4.CD T0187 62 :GIVDGSTAKTL 1lx7A 130 :AVADFECTTAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 89 :YNALKKSGALLITGPT 1lx7A 141 :VEAAKSIGATTHVGVT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.67428 Ang L5.CB and L12.CD2 other bump:2.81711 Ang L5.CG and L12.CD2 other bump:2.24794 Ang L5.CD1 and L12.CD2 other bump:2.49806 Ang L5.CB and L12.CD1 other bump:2.9919 Ang L5.CB and L12.CG Number of specific fragments= 6 total=704 Number of alignments=167 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1lx7A read from T0187-1lx7A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1lx7A in template set T0187 3 :KPAALIFGG 1lx7A 19 :ATLAIVPGD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.14501 Ang F8.CE1 and G10.C other bump:2.39973 Ang F8.CD1 and G10.O neighbor-bump: 2.07816 Ang K2.C and P3.CD T0187 12 :ETVVHV 1lx7A 42 :VKLASH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 18 :KGNGIGGRNQELALSAA 1lx7A 65 :CSTGIGGPSTSIAVEEL Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.68581 Ang N4.ND2 and A14.CB other bump:2.38673 Ang G8.O and E12.OE2 other bump:2.73983 Ang G8.C and E12.OE2 other bump:1.10646 Ang G8.O and E12.OE1 other bump:1.91688 Ang G8.C and E12.OE1 other bump:2.54858 Ang R9.CA and E12.OE1 other bump:1.88574 Ang G8.O and E12.CD other bump:2.64874 Ang G8.C and E12.CD other bump:2.11062 Ang N4.CG and Q11.NE2 other bump:2.26242 Ang N4.ND2 and Q11.NE2 other bump:1.72809 Ang N4.OD1 and Q11.NE2 other bump:2.14561 Ang N4.CB and Q11.OE1 other bump:1.74077 Ang N4.CG and Q11.OE1 other bump:1.67239 Ang N4.OD1 and Q11.OE1 other bump:2.99538 Ang N4.CB and Q11.CD other bump:1.98084 Ang N4.CG and Q11.CD other bump:2.37557 Ang N4.ND2 and Q11.CD other bump:1.88759 Ang N4.OD1 and Q11.CD self-bump: 2.08589 Ang N4.CB and N4.C T0187 36 :ALEGIE 1lx7A 82 :AQLGIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 43 :VILCSAGTDGT 1lx7A 88 :TFLRIGTTGAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 54 :DGPTDAAG 1lx7A 117 :DGASLHFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.59439 Ang G3.N and P4.CD T0187 62 :GIVDGSTAKTL 1lx7A 130 :AVADFECTTAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 73 :KAMGED 1lx7A 145 :KSIGAT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.10389 Ang M4.CB and E6.OE2 other bump:2.57813 Ang M4.CE and E6.OE2 other bump:1.49502 Ang G1.O and E6.OE1 other bump:2.47728 Ang G1.C and E6.OE1 other bump:2.88189 Ang M4.CB and E6.CD T0187 79 :PYQYLKNN 1lx7A 184 :MEEWQAMG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:1.38435 Ang Y3.OH and K7.NZ other bump:2.62951 Ang Y3.CD1 and K7.NZ other bump:1.50402 Ang Y3.CE1 and K7.NZ other bump:2.07496 Ang Y3.CE2 and K7.NZ other bump:0.958112 Ang Y3.CZ and K7.NZ other bump:1.99372 Ang Y3.OH and K7.CE other bump:2.26849 Ang Y3.CE1 and K7.CE other bump:2.30251 Ang Y3.CZ and K7.CE T0187 87 :DSYNALKKSGALLITG 1lx7A 199 :SATLLTMCASQGLRAG Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.68108 Ang K9.CB and T16.OG1 other bump:2.53071 Ang K9.CG and T16.OG1 other bump:2.04858 Ang N5.OD1 and T16.CG2 other bump:3.11892 Ang K9.CD and T16.N other bump:2.78932 Ang K9.CD and I15.C other bump:2.66813 Ang K9.NZ and I15.CA other bump:2.71342 Ang K9.CD and I15.CA other bump:2.73346 Ang K9.CE and I15.CA other bump:1.2519 Ang K9.NZ and I15.N other bump:2.41323 Ang K9.CD and I15.N other bump:1.78319 Ang K9.CE and I15.N other bump:1.15482 Ang K9.NZ and L14.C other bump:2.84931 Ang K9.CG and L14.C other bump:1.83538 Ang K9.CD and L14.C other bump:0.527586 Ang K9.CE and L14.C other bump:1.43636 Ang K9.CD and L14.O other bump:0.917557 Ang K9.CE and L14.O other bump:2.02695 Ang K9.NZ and L14.CB other bump:2.79521 Ang K9.CG and L14.CB other bump:3.12091 Ang K9.CD and L14.CB other bump:2.40657 Ang K9.CE and L14.CB other bump:1.38833 Ang K9.NZ and L14.CA other bump:2.9338 Ang K9.CD and L14.CA other bump:1.58902 Ang K9.CE and L14.CA other bump:2.30014 Ang K9.CE and L14.N T0187 111 :LIIGLIV 1lx7A 215 :MVAGVIV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.5178 Ang I3.O and I4.CG2 neighbor-bump: 2.9567 Ang I3.C and I4.CG2 Number of specific fragments= 11 total=715 Number of alignments=168 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1lx7A read from T0187-1lx7A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1lx7A in template set T0187 3 :KPAALIFG 1lx7A 19 :ATLAIVPG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.07816 Ang K2.C and P3.CD T0187 12 :ETVVHV 1lx7A 42 :VKLASH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 18 :KGNGIGGRNQELALSAA 1lx7A 65 :CSTGIGGPSTSIAVEEL Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.68581 Ang N4.ND2 and A14.CB other bump:2.38673 Ang G8.O and E12.OE2 other bump:2.73983 Ang G8.C and E12.OE2 other bump:1.10646 Ang G8.O and E12.OE1 other bump:1.91688 Ang G8.C and E12.OE1 other bump:2.54858 Ang R9.CA and E12.OE1 other bump:1.88574 Ang G8.O and E12.CD other bump:2.64874 Ang G8.C and E12.CD other bump:2.11062 Ang N4.CG and Q11.NE2 other bump:2.26242 Ang N4.ND2 and Q11.NE2 other bump:1.72809 Ang N4.OD1 and Q11.NE2 other bump:2.14561 Ang N4.CB and Q11.OE1 other bump:1.74077 Ang N4.CG and Q11.OE1 other bump:1.67239 Ang N4.OD1 and Q11.OE1 other bump:2.99538 Ang N4.CB and Q11.CD other bump:1.98084 Ang N4.CG and Q11.CD other bump:2.37557 Ang N4.ND2 and Q11.CD other bump:1.88759 Ang N4.OD1 and Q11.CD self-bump: 2.08589 Ang N4.CB and N4.C T0187 36 :ALEGIE 1lx7A 82 :AQLGIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 43 :VILCSAGTDGT 1lx7A 88 :TFLRIGTTGAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 54 :DGPTDAA 1lx7A 117 :DGASLHF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.59439 Ang G3.N and P4.CD T0187 62 :GIVDGS 1lx7A 130 :AVADFE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 68 :TAKTLKAMGED 1lx7A 140 :LVEAAKSIGAT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.10389 Ang M9.CB and E11.OE2 other bump:2.57813 Ang M9.CE and E11.OE2 other bump:1.49502 Ang L6.O and E11.OE1 other bump:2.47728 Ang L6.C and E11.OE1 other bump:2.88189 Ang M9.CB and E11.CD T0187 79 :PYQYLKNN 1lx7A 184 :MEEWQAMG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:1.38435 Ang Y3.OH and K7.NZ other bump:2.62951 Ang Y3.CD1 and K7.NZ other bump:1.50402 Ang Y3.CE1 and K7.NZ other bump:2.07496 Ang Y3.CE2 and K7.NZ other bump:0.958112 Ang Y3.CZ and K7.NZ other bump:1.99372 Ang Y3.OH and K7.CE other bump:2.26849 Ang Y3.CE1 and K7.CE other bump:2.30251 Ang Y3.CZ and K7.CE T0187 87 :DSYNAL 1lx7A 198 :ESATLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 93 :KKSGALLITGP 1lx7A 205 :MCASQGLRAGM Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 1.91742 Ang G11.C and P12.CD other bump:2.5307 Ang K3.CG and T10.OG1 other bump:2.68108 Ang K3.CB and T10.OG1 other bump:3.11892 Ang K3.CD and T10.N other bump:2.78932 Ang K3.CD and I9.C other bump:2.73345 Ang K3.CE and I9.CA other bump:2.66812 Ang K3.NZ and I9.CA other bump:2.71343 Ang K3.CD and I9.CA other bump:1.78319 Ang K3.CE and I9.N other bump:1.2519 Ang K3.NZ and I9.N other bump:2.41323 Ang K3.CD and I9.N other bump:2.84932 Ang K3.CG and L8.C other bump:0.527585 Ang K3.CE and L8.C other bump:1.15482 Ang K3.NZ and L8.C other bump:1.83539 Ang K3.CD and L8.C other bump:0.917563 Ang K3.CE and L8.O other bump:1.43637 Ang K3.CD and L8.O other bump:2.79521 Ang K3.CG and L8.CB other bump:2.40656 Ang K3.CE and L8.CB other bump:2.02695 Ang K3.NZ and L8.CB other bump:3.12091 Ang K3.CD and L8.CB other bump:1.58901 Ang K3.CE and L8.CA other bump:1.38833 Ang K3.NZ and L8.CA other bump:2.9338 Ang K3.CD and L8.CA other bump:2.30015 Ang K3.CE and L8.N T0187 112 :IIGLI 1lx7A 216 :VAGVI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.51779 Ang I2.O and I3.CG2 neighbor-bump: 2.95669 Ang I2.C and I3.CG2 Number of specific fragments= 12 total=727 Number of alignments=169 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1lx7A read from T0187-1lx7A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1lx7A in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1lx7A 60 :KPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.68581 Ang N9.ND2 and A19.CB other bump:2.73983 Ang G13.C and E17.OE2 other bump:2.38673 Ang G13.O and E17.OE2 other bump:1.91688 Ang G13.C and E17.OE1 other bump:1.10646 Ang G13.O and E17.OE1 other bump:2.54858 Ang R14.CA and E17.OE1 other bump:2.64874 Ang G13.C and E17.CD other bump:1.88574 Ang G13.O and E17.CD other bump:2.11062 Ang N9.CG and Q16.NE2 other bump:1.72809 Ang N9.OD1 and Q16.NE2 other bump:2.26242 Ang N9.ND2 and Q16.NE2 other bump:1.74077 Ang N9.CG and Q16.OE1 other bump:1.67239 Ang N9.OD1 and Q16.OE1 other bump:2.14561 Ang N9.CB and Q16.OE1 other bump:1.98084 Ang N9.CG and Q16.CD other bump:1.88759 Ang N9.OD1 and Q16.CD other bump:2.99538 Ang N9.CB and Q16.CD other bump:2.37557 Ang N9.ND2 and Q16.CD self-bump: 2.08589 Ang N9.CB and N9.C other bump:2.87982 Ang H5.CE1 and K7.CB other bump:2.24426 Ang H5.NE2 and K7.CB T0187 43 :VILCSAGTDGTDGPTDAAGGIV 1lx7A 87 :RTFLRIGTTGAIQPHINVGDVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues Number of specific fragments= 2 total=729 Number of alignments=170 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1lx7A read from T0187-1lx7A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1lx7A in template set T0187 11 :GE 1lx7A 59 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 14 :VVHVKGNGIGGRNQELALSAAIALE 1lx7A 61 :PVIVCSTGIGGPSTSIAVEELAQLG Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68581 Ang N8.ND2 and A18.CB other bump:2.73983 Ang G12.C and E16.OE2 other bump:2.38673 Ang G12.O and E16.OE2 other bump:1.91688 Ang G12.C and E16.OE1 other bump:1.10646 Ang G12.O and E16.OE1 other bump:2.54858 Ang R13.CA and E16.OE1 other bump:2.64874 Ang G12.C and E16.CD other bump:1.88574 Ang G12.O and E16.CD other bump:2.11062 Ang N8.CG and Q15.NE2 other bump:1.72809 Ang N8.OD1 and Q15.NE2 other bump:2.26242 Ang N8.ND2 and Q15.NE2 other bump:2.14561 Ang N8.CB and Q15.OE1 other bump:1.74077 Ang N8.CG and Q15.OE1 other bump:1.67239 Ang N8.OD1 and Q15.OE1 other bump:2.99538 Ang N8.CB and Q15.CD other bump:1.98084 Ang N8.CG and Q15.CD other bump:1.88759 Ang N8.OD1 and Q15.CD other bump:2.37557 Ang N8.ND2 and Q15.CD self-bump: 2.08589 Ang N8.CB and N8.C other bump:2.87982 Ang H4.CE1 and K6.CB other bump:2.24426 Ang H4.NE2 and K6.CB T0187 42 :GVILCSAGTDGTDGPTDAAG 1lx7A 86 :IRTFLRIGTTGAIQPHINVG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues Number of specific fragments= 3 total=732 Number of alignments=171 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1lx7A read from T0187-1lx7A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1lx7A in template set T0187 13 :TVVHVKGNGIGGRNQELALSAAIALEG 1lx7A 60 :KPVIVCSTGIGGPSTSIAVEELAQLGI Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.68581 Ang N9.ND2 and A19.CB other bump:2.73983 Ang G13.C and E17.OE2 other bump:2.38673 Ang G13.O and E17.OE2 other bump:1.91688 Ang G13.C and E17.OE1 other bump:1.10646 Ang G13.O and E17.OE1 other bump:2.54858 Ang R14.CA and E17.OE1 other bump:2.64874 Ang G13.C and E17.CD other bump:1.88574 Ang G13.O and E17.CD other bump:2.11062 Ang N9.CG and Q16.NE2 other bump:1.72809 Ang N9.OD1 and Q16.NE2 other bump:2.26242 Ang N9.ND2 and Q16.NE2 other bump:1.74077 Ang N9.CG and Q16.OE1 other bump:1.67239 Ang N9.OD1 and Q16.OE1 other bump:2.14561 Ang N9.CB and Q16.OE1 other bump:1.98084 Ang N9.CG and Q16.CD other bump:1.88759 Ang N9.OD1 and Q16.CD other bump:2.99538 Ang N9.CB and Q16.CD other bump:2.37557 Ang N9.ND2 and Q16.CD self-bump: 2.08589 Ang N9.CB and N9.C other bump:2.87982 Ang H5.CE1 and K7.CB other bump:2.24426 Ang H5.NE2 and K7.CB T0187 43 :VILCSAGTDGTDGPTDAAGGIV 1lx7A 87 :RTFLRIGTTGAIQPHINVGDVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues Number of specific fragments= 2 total=734 Number of alignments=172 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1lx7A read from T0187-1lx7A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1lx7A in template set T0187 11 :GE 1lx7A 59 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 14 :VVHVKGNGIGGRNQELALSAAIALE 1lx7A 61 :PVIVCSTGIGGPSTSIAVEELAQLG Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68581 Ang N8.ND2 and A18.CB other bump:2.73983 Ang G12.C and E16.OE2 other bump:2.38673 Ang G12.O and E16.OE2 other bump:1.91688 Ang G12.C and E16.OE1 other bump:1.10646 Ang G12.O and E16.OE1 other bump:2.54858 Ang R13.CA and E16.OE1 other bump:2.64874 Ang G12.C and E16.CD other bump:1.88574 Ang G12.O and E16.CD other bump:2.11062 Ang N8.CG and Q15.NE2 other bump:1.72809 Ang N8.OD1 and Q15.NE2 other bump:2.26242 Ang N8.ND2 and Q15.NE2 other bump:2.14561 Ang N8.CB and Q15.OE1 other bump:1.74077 Ang N8.CG and Q15.OE1 other bump:1.67239 Ang N8.OD1 and Q15.OE1 other bump:2.99538 Ang N8.CB and Q15.CD other bump:1.98084 Ang N8.CG and Q15.CD other bump:1.88759 Ang N8.OD1 and Q15.CD other bump:2.37557 Ang N8.ND2 and Q15.CD self-bump: 2.08589 Ang N8.CB and N8.C other bump:2.87982 Ang H4.CE1 and K6.CB other bump:2.24426 Ang H4.NE2 and K6.CB T0187 42 :GVILCSAGTDGTDGPTDAAG 1lx7A 86 :IRTFLRIGTTGAIQPHINVG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues Number of specific fragments= 3 total=737 Number of alignments=173 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-local-adpstyle1.pw.a2m.gz # 1lx7A read from T0187-1lx7A-local-adpstyle1.pw.a2m.gz # found chain 1lx7A in template set T0187 15 :VHVKGNGIGGRNQELALSAAIAL 1lx7A 62 :VIVCSTGIGGPSTSIAVEELAQL Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.68581 Ang N7.ND2 and A17.CB other bump:2.38673 Ang G11.O and E15.OE2 other bump:2.73983 Ang G11.C and E15.OE2 other bump:1.10646 Ang G11.O and E15.OE1 other bump:1.91688 Ang G11.C and E15.OE1 other bump:2.54858 Ang R12.CA and E15.OE1 other bump:1.88574 Ang G11.O and E15.CD other bump:2.64874 Ang G11.C and E15.CD other bump:2.11062 Ang N7.CG and Q14.NE2 other bump:2.26242 Ang N7.ND2 and Q14.NE2 other bump:1.72809 Ang N7.OD1 and Q14.NE2 other bump:2.14561 Ang N7.CB and Q14.OE1 other bump:1.74077 Ang N7.CG and Q14.OE1 other bump:1.67239 Ang N7.OD1 and Q14.OE1 other bump:2.99538 Ang N7.CB and Q14.CD other bump:1.98084 Ang N7.CG and Q14.CD other bump:2.37557 Ang N7.ND2 and Q14.CD other bump:1.88759 Ang N7.OD1 and Q14.CD self-bump: 2.08589 Ang N7.CB and N7.C other bump:2.87982 Ang H3.CE1 and K5.CB other bump:2.24426 Ang H3.NE2 and K5.CB Number of specific fragments= 1 total=738 Number of alignments=174 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-local-adpstyle5.pw.a2m.gz # 1lx7A read from T0187-1lx7A-local-adpstyle5.pw.a2m.gz # found chain 1lx7A in template set T0187 14 :VVHVKGNGIGGRNQELALSAAIAL 1lx7A 61 :PVIVCSTGIGGPSTSIAVEELAQL Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.68581 Ang N8.ND2 and A18.CB other bump:2.38673 Ang G12.O and E16.OE2 other bump:2.73983 Ang G12.C and E16.OE2 other bump:1.10646 Ang G12.O and E16.OE1 other bump:1.91688 Ang G12.C and E16.OE1 other bump:2.54858 Ang R13.CA and E16.OE1 other bump:1.88574 Ang G12.O and E16.CD other bump:2.64874 Ang G12.C and E16.CD other bump:2.11062 Ang N8.CG and Q15.NE2 other bump:2.26242 Ang N8.ND2 and Q15.NE2 other bump:1.72809 Ang N8.OD1 and Q15.NE2 other bump:2.14561 Ang N8.CB and Q15.OE1 other bump:1.74077 Ang N8.CG and Q15.OE1 other bump:1.67239 Ang N8.OD1 and Q15.OE1 other bump:2.99538 Ang N8.CB and Q15.CD other bump:1.98084 Ang N8.CG and Q15.CD other bump:2.37557 Ang N8.ND2 and Q15.CD other bump:1.88759 Ang N8.OD1 and Q15.CD self-bump: 2.08589 Ang N8.CB and N8.C other bump:2.87982 Ang H4.CE1 and K6.CB other bump:2.24426 Ang H4.NE2 and K6.CB T0187 41 :EGVILCSAGTDGTDGPTDAAGGIVDGSTAKTLK 1lx7A 85 :GIRTFLRIGTTGAIQPHINVGDVLVTTASVRLD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:3.18763 Ang K31.CD and L33.CD2 other bump:2.22788 Ang K31.CE and L33.CD2 neighbor-bump: 2.94094 Ang S28.C and T29.CG2 neighbor-bump: 2.44265 Ang S28.O and T29.CG2 Number of specific fragments= 2 total=740 Number of alignments=175 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-simpleSW-adpstyle1.pw.a2m.gz # 1lx7A read from T0187-1lx7A-simpleSW-adpstyle1.pw.a2m.gz # found chain 1lx7A in template set T0187 43 :VILCSAGTDG 1lx7A 62 :VIVCSTGIGG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 1.9661 Ang T9.O and D10.CG neighbor-bump: 2.77728 Ang T9.C and D10.CG Number of specific fragments= 1 total=741 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-simpleSW-adpstyle5.pw.a2m.gz # 1lx7A read from T0187-1lx7A-simpleSW-adpstyle5.pw.a2m.gz # found chain 1lx7A in template set T0187 15 :VHVKGNGIGGRNQELA 1lx7A 62 :VIVCSTGIGGPSTSIA Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.68581 Ang N7.ND2 and A17.CB other bump:2.73983 Ang G11.C and E15.OE2 other bump:2.38673 Ang G11.O and E15.OE2 other bump:1.91688 Ang G11.C and E15.OE1 other bump:1.10646 Ang G11.O and E15.OE1 other bump:2.54858 Ang R12.CA and E15.OE1 other bump:2.64874 Ang G11.C and E15.CD other bump:1.88574 Ang G11.O and E15.CD other bump:1.72809 Ang N7.OD1 and Q14.NE2 other bump:2.11062 Ang N7.CG and Q14.NE2 other bump:2.26242 Ang N7.ND2 and Q14.NE2 other bump:2.14561 Ang N7.CB and Q14.OE1 other bump:1.67239 Ang N7.OD1 and Q14.OE1 other bump:1.74077 Ang N7.CG and Q14.OE1 other bump:2.99538 Ang N7.CB and Q14.CD other bump:1.88759 Ang N7.OD1 and Q14.CD other bump:1.98084 Ang N7.CG and Q14.CD other bump:2.37557 Ang N7.ND2 and Q14.CD self-bump: 2.08589 Ang N7.CB and N7.C other bump:2.87982 Ang H3.CE1 and K5.CB other bump:2.24426 Ang H3.NE2 and K5.CB Number of specific fragments= 1 total=742 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-vit-adpstyle1.pw.a2m.gz # 1lx7A read from T0187-1lx7A-vit-adpstyle1.pw.a2m.gz # found chain 1lx7A in template set T0187 15 :VHVKGNGIGGRNQELALSAAIAL 1lx7A 62 :VIVCSTGIGGPSTSIAVEELAQL Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.68581 Ang N7.ND2 and A17.CB other bump:2.38673 Ang G11.O and E15.OE2 other bump:2.73983 Ang G11.C and E15.OE2 other bump:1.10646 Ang G11.O and E15.OE1 other bump:1.91688 Ang G11.C and E15.OE1 other bump:2.54858 Ang R12.CA and E15.OE1 other bump:1.88574 Ang G11.O and E15.CD other bump:2.64874 Ang G11.C and E15.CD other bump:2.11062 Ang N7.CG and Q14.NE2 other bump:2.26242 Ang N7.ND2 and Q14.NE2 other bump:1.72809 Ang N7.OD1 and Q14.NE2 other bump:2.14561 Ang N7.CB and Q14.OE1 other bump:1.74077 Ang N7.CG and Q14.OE1 other bump:1.67239 Ang N7.OD1 and Q14.OE1 other bump:2.99538 Ang N7.CB and Q14.CD other bump:1.98084 Ang N7.CG and Q14.CD other bump:2.37557 Ang N7.ND2 and Q14.CD other bump:1.88759 Ang N7.OD1 and Q14.CD self-bump: 2.08589 Ang N7.CB and N7.C other bump:2.87982 Ang H3.CE1 and K5.CB other bump:2.24426 Ang H3.NE2 and K5.CB Number of specific fragments= 1 total=743 Number of alignments=176 # Reading fragments from alignment file # T0187 read from T0187-1lx7A-vit-adpstyle5.pw.a2m.gz # 1lx7A read from T0187-1lx7A-vit-adpstyle5.pw.a2m.gz # found chain 1lx7A in template set T0187 14 :VVHVKGNGIGGRNQELALSAAIAL 1lx7A 61 :PVIVCSTGIGGPSTSIAVEELAQL Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.68581 Ang N8.ND2 and A18.CB other bump:2.38673 Ang G12.O and E16.OE2 other bump:2.73983 Ang G12.C and E16.OE2 other bump:1.10646 Ang G12.O and E16.OE1 other bump:1.91688 Ang G12.C and E16.OE1 other bump:2.54858 Ang R13.CA and E16.OE1 other bump:1.88574 Ang G12.O and E16.CD other bump:2.64874 Ang G12.C and E16.CD other bump:2.11062 Ang N8.CG and Q15.NE2 other bump:2.26242 Ang N8.ND2 and Q15.NE2 other bump:1.72809 Ang N8.OD1 and Q15.NE2 other bump:2.14561 Ang N8.CB and Q15.OE1 other bump:1.74077 Ang N8.CG and Q15.OE1 other bump:1.67239 Ang N8.OD1 and Q15.OE1 other bump:2.99538 Ang N8.CB and Q15.CD other bump:1.98084 Ang N8.CG and Q15.CD other bump:2.37557 Ang N8.ND2 and Q15.CD other bump:1.88759 Ang N8.OD1 and Q15.CD self-bump: 2.08589 Ang N8.CB and N8.C other bump:2.87982 Ang H4.CE1 and K6.CB other bump:2.24426 Ang H4.NE2 and K6.CB T0187 41 :EGVILCSAGTDGTDGPTDAAGGIVDGSTAKTLK 1lx7A 85 :GIRTFLRIGTTGAIQPHINVGDVLVTTASVRLD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:3.18763 Ang K31.CD and L33.CD2 other bump:2.22788 Ang K31.CE and L33.CD2 neighbor-bump: 2.94094 Ang S28.C and T29.CG2 neighbor-bump: 2.44265 Ang S28.O and T29.CG2 Number of specific fragments= 2 total=745 Number of alignments=177 # Prefix for input files set to 1jeqB/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1jeqB-T0187-fssp-global-adpstyle1.pw.a2m.gz # 1jeqB read from 1jeqB-T0187-fssp-global-adpstyle1.pw.a2m.gz # found chain 1jeqB in template set T0187 4 :PAALIF 1jeqB 7 :KAAVVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 10 :GGETVVHVK 1jeqB 16 :VGFTMSNSI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36934 Ang T5.CG2 and H8.NE2 other bump:2.60215 Ang T5.CA and H8.NE2 other bump:2.69847 Ang T5.CB and H8.NE2 other bump:2.25282 Ang T5.CA and H8.CD2 other bump:2.68175 Ang T5.CB and H8.CD2 other bump:2.68717 Ang T5.C and H8.CD2 other bump:2.44527 Ang T5.O and H8.CD2 T0187 23 :GGRNQELALSAAIALEGIEGVI 1jeqB 25 :PGIESPFEQAKKVITMFVQRQV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 45 :LCSAGTDGTDGPTDAAGGIVDGSTAKTLKAMGEDPYQYLKN 1jeqB 56 :LVLFGTDGTDNPLSGGDQYQNITVHRHLMLPDFDLLEDIES Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues self-bump: 1.2898 Ang N42.CA and N42.CB self-bump: 1.37754 Ang K41.CA and K41.CB other bump:2.10501 Ang D35.O and Y39.CD1 other bump:2.31791 Ang G33.O and P36.CD other bump:2.79741 Ang G33.C and P36.CD other bump:2.53857 Ang K27.NZ and P36.CB other bump:2.37395 Ang K27.NZ and M32.CE neighbor-bump: 2.27397 Ang L29.O and K30.CG neighbor-bump: 2.78594 Ang V21.CG1 and D22.CA neighbor-bump: 2.38393 Ang V21.CB and D22.N neighbor-bump: 1.60339 Ang V21.CG1 and D22.N self-bump: 2.19741 Ang V21.CB and V21.C self-bump: 2.29709 Ang V21.CG1 and V21.C other bump:2.77919 Ang T10.CB and V21.CG2 other bump:2.3813 Ang T10.CG2 and V21.CG2 other bump:2.34947 Ang T10.OG1 and V21.CG2 other bump:2.95699 Ang T10.CB and V21.CG1 other bump:1.66411 Ang T10.OG1 and V21.CG1 self-bump: 1.3059 Ang V21.CA and V21.CB other bump:2.44306 Ang T10.OG1 and V21.CB other bump:2.67247 Ang T14.CG2 and I20.CD1 neighbor-bump: 1.73252 Ang A16.O and A17.CB neighbor-bump: 2.21128 Ang A16.C and A17.CB other bump:2.83318 Ang T10.CG2 and D15.OD2 other bump:2.05771 Ang G12.N and D15.OD2 other bump:2.841 Ang G12.CA and D15.OD2 other bump:2.87974 Ang T10.CG2 and D15.CG other bump:3.10467 Ang G12.N and D15.CG T0187 86 :NDSYNALKKSGALLITGPTGTNV 1jeqB 122 :TIGKKFEKRHIEIFTDLSSRFSK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.59929 Ang T17.C and P19.CD neighbor-bump: 2.55298 Ang G18.N and P19.CD other bump:3.3172 Ang T17.CA and P19.CD other bump:2.51604 Ang T17.OG1 and P19.CD other bump:3.00658 Ang N2.CG and K10.CE other bump:2.45315 Ang N2.ND2 and K10.CE other bump:2.65059 Ang N2.ND2 and K10.CD T0187 109 :NDLIIGLIV 1jeqB 204 :GLEIVKMVM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.86908 Ang N2.OD1 and I6.CD1 Number of specific fragments= 6 total=751 Number of alignments=178 # Reading fragments from alignment file # T0187 read from 1jeqB-T0187-fssp-global-adpstyle5.pw.a2m.gz # 1jeqB read from 1jeqB-T0187-fssp-global-adpstyle5.pw.a2m.gz # found chain 1jeqB in template set T0187 4 :P 1jeqB 7 :K Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 5 :AALIFG 1jeqB 55 :ALVLFG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 11 :GETVVHVKGNGI 1jeqB 75 :QNITVHRHLMLP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 2.8527 Ang H7.CD2 and V8.CG2 T0187 24 :GRNQELALSAAIA 1jeqB 87 :DFDLLEDIESKIQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.34832 Ang S10.CA and S10.CB T0187 37 :LEGIEG 1jeqB 122 :TIGKKF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.53045 Ang I5.CG2 and E6.N T0187 43 :VILCSAGTDGTDG 1jeqB 132 :IEIFTDLSSRFSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 56 :PTDAAG 1jeqB 147 :LDIIIH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 62 :GIV 1jeqB 165 :LPF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 67 :STAKTLKAMG 1jeqB 203 :EGLEIVKMVM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 77 :EDPYQ 1jeqB 218 :EDGLD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:1.92631 Ang G1.O and P4.CD other bump:2.43566 Ang G1.C and P4.CD other bump:2.59668 Ang E2.C and P4.CD neighbor-bump: 2.37638 Ang D3.N and P4.CD other bump:1.99707 Ang G1.O and P4.CG other bump:2.66264 Ang G1.C and P4.CG other bump:2.59186 Ang G1.O and P4.CB T0187 85 :NNDSYNALKKSGALL 1jeqB 223 :EIYSFSESLRKLCVF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:3.09949 Ang D4.CB and L9.CD2 T0187 101 :T 1jeqB 239 :K Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 102 :GPTGTNV 1jeqB 445 :APTEAQL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 109 :NDLIIGLIV 1jeqB 455 :DALIDSMSL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.38304 Ang L4.CD1 and L8.CD1 Number of specific fragments= 14 total=765 Number of alignments=179 # Reading fragments from alignment file # T0187 read from 1jeqB-T0187-local-adpstyle1.pw.a2m.gz # 1jeqB read from 1jeqB-T0187-local-adpstyle1.pw.a2m.gz # found chain 1jeqB in template set T0187 28 :ELALSAAIALEGIEGVILCSAGTDGTDGPTDAAGGIVDGSTAKTLKAMGEDPYQYL 1jeqB 39 :TMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGDQYQNITVHRHLMLPDFDLLEDI Fragment has 55 clashes (null) has 55 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 58 residues other bump:2.90189 Ang E2.CD and L57.CD2 other bump:2.04859 Ang E2.OE2 and L57.CD2 other bump:2.95757 Ang L5.CD1 and L57.CD2 other bump:2.18963 Ang E2.OE2 and L57.CG other bump:2.89074 Ang E2.CD and L57.CB other bump:1.83824 Ang E2.OE2 and L57.CB other bump:2.10501 Ang D52.O and Y56.CD1 other bump:1.48309 Ang L5.O and Y54.OH other bump:2.10172 Ang I9.CG2 and Y54.OH other bump:2.32713 Ang L5.C and Y54.OH other bump:2.85309 Ang I9.CB and Y54.OH other bump:2.51683 Ang L5.O and Y54.CZ other bump:2.56739 Ang I9.CG2 and Y54.CZ other bump:2.84808 Ang L5.C and Y54.CZ other bump:2.48297 Ang L5.CB and Y54.CE2 other bump:2.88317 Ang L5.O and Y54.CE2 other bump:3.08488 Ang L5.CA and Y54.CE2 other bump:2.59082 Ang L5.C and Y54.CE2 other bump:2.84241 Ang S6.N and Y54.CE2 other bump:2.39255 Ang I9.CG2 and Y54.CE1 other bump:2.77291 Ang I9.CD1 and Y54.CE1 other bump:2.31791 Ang G50.O and P53.CD other bump:2.79741 Ang G50.C and P53.CD other bump:2.53857 Ang K44.NZ and P53.CB other bump:2.20401 Ang L5.CD2 and M49.CE other bump:2.37395 Ang K44.NZ and M49.CE other bump:3.22016 Ang L5.CD2 and M49.SD other bump:2.64122 Ang V17.CB and M49.SD other bump:3.06306 Ang V17.CG1 and M49.CG neighbor-bump: 2.27397 Ang L46.O and K47.CG other bump:2.92672 Ang I18.CG2 and L46.CD2 other bump:2.94458 Ang I18.CG2 and L46.CG other bump:2.41937 Ang I18.CG2 and L46.CA other bump:2.21541 Ang I18.CG2 and L46.N other bump:2.79215 Ang I18.CG2 and T45.C neighbor-bump: 2.78594 Ang V38.CG1 and D39.CA neighbor-bump: 1.60339 Ang V38.CG1 and D39.N neighbor-bump: 2.38393 Ang V38.CB and D39.N self-bump: 2.29709 Ang V38.CG1 and V38.C self-bump: 2.19741 Ang V38.CB and V38.C other bump:2.77919 Ang T27.CB and V38.CG2 other bump:2.3813 Ang T27.CG2 and V38.CG2 other bump:2.34947 Ang T27.OG1 and V38.CG2 other bump:2.95699 Ang T27.CB and V38.CG1 other bump:1.66411 Ang T27.OG1 and V38.CG1 other bump:2.44306 Ang T27.OG1 and V38.CB self-bump: 1.3059 Ang V38.CA and V38.CB other bump:2.67247 Ang T31.CG2 and I37.CD1 neighbor-bump: 1.73252 Ang A33.O and A34.CB neighbor-bump: 2.21128 Ang A33.C and A34.CB other bump:2.83318 Ang T27.CG2 and D32.OD2 other bump:2.05771 Ang G29.N and D32.OD2 other bump:2.841 Ang G29.CA and D32.OD2 other bump:2.87974 Ang T27.CG2 and D32.CG other bump:3.10467 Ang G29.N and D32.CG Number of specific fragments= 1 total=766 Number of alignments=180 # Reading fragments from alignment file # T0187 read from 1jeqB-T0187-local-adpstyle5.pw.a2m.gz # 1jeqB read from 1jeqB-T0187-local-adpstyle5.pw.a2m.gz # found chain 1jeqB in template set T0187 28 :E 1jeqB 30 :P Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 29 :LALSAAIALEGIEGVILCSAGTDGTDGPTDAAGGIVDGSTAKTLKAMGEDPYQYL 1jeqB 40 :MFVQRQVFAENKDEIALVLFGTDGTDNPLSGGDQYQNITVHRHLMLPDFDLLEDI Fragment has 50 clashes (null) has 50 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 57 residues other bump:2.95757 Ang L4.CD1 and L56.CD2 other bump:2.10501 Ang D51.O and Y55.CD1 other bump:1.48309 Ang L4.O and Y53.OH other bump:2.10172 Ang I8.CG2 and Y53.OH other bump:2.32713 Ang L4.C and Y53.OH other bump:2.85309 Ang I8.CB and Y53.OH other bump:2.51683 Ang L4.O and Y53.CZ other bump:2.56739 Ang I8.CG2 and Y53.CZ other bump:2.84808 Ang L4.C and Y53.CZ other bump:2.48297 Ang L4.CB and Y53.CE2 other bump:2.88317 Ang L4.O and Y53.CE2 other bump:3.08488 Ang L4.CA and Y53.CE2 other bump:2.59082 Ang L4.C and Y53.CE2 other bump:2.84241 Ang S5.N and Y53.CE2 other bump:2.39255 Ang I8.CG2 and Y53.CE1 other bump:2.77291 Ang I8.CD1 and Y53.CE1 other bump:2.31791 Ang G49.O and P52.CD other bump:2.79741 Ang G49.C and P52.CD other bump:2.53857 Ang K43.NZ and P52.CB other bump:2.20401 Ang L4.CD2 and M48.CE other bump:2.37395 Ang K43.NZ and M48.CE other bump:3.22016 Ang L4.CD2 and M48.SD other bump:2.64122 Ang V16.CB and M48.SD other bump:3.06306 Ang V16.CG1 and M48.CG neighbor-bump: 2.27397 Ang L45.O and K46.CG other bump:2.92672 Ang I17.CG2 and L45.CD2 other bump:2.94458 Ang I17.CG2 and L45.CG other bump:2.41937 Ang I17.CG2 and L45.CA other bump:2.21541 Ang I17.CG2 and L45.N other bump:2.79215 Ang I17.CG2 and T44.C neighbor-bump: 2.78594 Ang V37.CG1 and D38.CA neighbor-bump: 1.60339 Ang V37.CG1 and D38.N neighbor-bump: 2.38393 Ang V37.CB and D38.N self-bump: 2.29709 Ang V37.CG1 and V37.C self-bump: 2.19741 Ang V37.CB and V37.C other bump:2.77919 Ang T26.CB and V37.CG2 other bump:2.3813 Ang T26.CG2 and V37.CG2 other bump:2.34947 Ang T26.OG1 and V37.CG2 other bump:2.95699 Ang T26.CB and V37.CG1 other bump:1.66411 Ang T26.OG1 and V37.CG1 other bump:2.44306 Ang T26.OG1 and V37.CB self-bump: 1.3059 Ang V37.CA and V37.CB other bump:2.67247 Ang T30.CG2 and I36.CD1 neighbor-bump: 1.73252 Ang A32.O and A33.CB neighbor-bump: 2.21128 Ang A32.C and A33.CB other bump:2.83318 Ang T26.CG2 and D31.OD2 other bump:2.05771 Ang G28.N and D31.OD2 other bump:2.841 Ang G28.CA and D31.OD2 other bump:2.87974 Ang T26.CG2 and D31.CG other bump:3.10467 Ang G28.N and D31.CG Number of specific fragments= 2 total=768 Number of alignments=181 # Reading fragments from alignment file # T0187 read from 1jeqB-T0187-vit-adpstyle1.pw.a2m.gz # 1jeqB read from 1jeqB-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1jeqB in template set T0187 28 :ELALSAAIALEGIEGVILCSAGTDGTDGPTDAAGGIVDGSTAKTLKAMGEDPYQYL 1jeqB 39 :TMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGDQYQNITVHRHLMLPDFDLLEDI Fragment has 55 clashes (null) has 55 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 58 residues other bump:2.90189 Ang E2.CD and L57.CD2 other bump:2.04859 Ang E2.OE2 and L57.CD2 other bump:2.95757 Ang L5.CD1 and L57.CD2 other bump:2.18963 Ang E2.OE2 and L57.CG other bump:2.89074 Ang E2.CD and L57.CB other bump:1.83824 Ang E2.OE2 and L57.CB other bump:2.10501 Ang D52.O and Y56.CD1 other bump:1.48309 Ang L5.O and Y54.OH other bump:2.10172 Ang I9.CG2 and Y54.OH other bump:2.32713 Ang L5.C and Y54.OH other bump:2.85309 Ang I9.CB and Y54.OH other bump:2.51683 Ang L5.O and Y54.CZ other bump:2.56739 Ang I9.CG2 and Y54.CZ other bump:2.84808 Ang L5.C and Y54.CZ other bump:2.48297 Ang L5.CB and Y54.CE2 other bump:2.88317 Ang L5.O and Y54.CE2 other bump:3.08488 Ang L5.CA and Y54.CE2 other bump:2.59082 Ang L5.C and Y54.CE2 other bump:2.84241 Ang S6.N and Y54.CE2 other bump:2.39255 Ang I9.CG2 and Y54.CE1 other bump:2.77291 Ang I9.CD1 and Y54.CE1 other bump:2.31791 Ang G50.O and P53.CD other bump:2.79741 Ang G50.C and P53.CD other bump:2.53857 Ang K44.NZ and P53.CB other bump:2.20401 Ang L5.CD2 and M49.CE other bump:2.37395 Ang K44.NZ and M49.CE other bump:3.22016 Ang L5.CD2 and M49.SD other bump:2.64122 Ang V17.CB and M49.SD other bump:3.06306 Ang V17.CG1 and M49.CG neighbor-bump: 2.27397 Ang L46.O and K47.CG other bump:2.92672 Ang I18.CG2 and L46.CD2 other bump:2.94458 Ang I18.CG2 and L46.CG other bump:2.41937 Ang I18.CG2 and L46.CA other bump:2.21541 Ang I18.CG2 and L46.N other bump:2.79215 Ang I18.CG2 and T45.C neighbor-bump: 2.78594 Ang V38.CG1 and D39.CA neighbor-bump: 1.60339 Ang V38.CG1 and D39.N neighbor-bump: 2.38393 Ang V38.CB and D39.N self-bump: 2.29709 Ang V38.CG1 and V38.C self-bump: 2.19741 Ang V38.CB and V38.C other bump:2.77919 Ang T27.CB and V38.CG2 other bump:2.3813 Ang T27.CG2 and V38.CG2 other bump:2.34947 Ang T27.OG1 and V38.CG2 other bump:2.95699 Ang T27.CB and V38.CG1 other bump:1.66411 Ang T27.OG1 and V38.CG1 other bump:2.44306 Ang T27.OG1 and V38.CB self-bump: 1.3059 Ang V38.CA and V38.CB other bump:2.67247 Ang T31.CG2 and I37.CD1 neighbor-bump: 1.73252 Ang A33.O and A34.CB neighbor-bump: 2.21128 Ang A33.C and A34.CB other bump:2.83318 Ang T27.CG2 and D32.OD2 other bump:2.05771 Ang G29.N and D32.OD2 other bump:2.841 Ang G29.CA and D32.OD2 other bump:2.87974 Ang T27.CG2 and D32.CG other bump:3.10467 Ang G29.N and D32.CG Number of specific fragments= 1 total=769 Number of alignments=182 # Reading fragments from alignment file # T0187 read from 1jeqB-T0187-vit-adpstyle5.pw.a2m.gz # 1jeqB read from 1jeqB-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1jeqB in template set T0187 28 :E 1jeqB 30 :P Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 29 :LALSAAIALEGIEGVILCSAGTDGTDGPTDAAGGIVDGSTAKTLKAMGEDPYQYL 1jeqB 40 :MFVQRQVFAENKDEIALVLFGTDGTDNPLSGGDQYQNITVHRHLMLPDFDLLEDI Fragment has 50 clashes (null) has 50 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 57 residues other bump:2.95757 Ang L4.CD1 and L56.CD2 other bump:2.10501 Ang D51.O and Y55.CD1 other bump:1.48309 Ang L4.O and Y53.OH other bump:2.10172 Ang I8.CG2 and Y53.OH other bump:2.32713 Ang L4.C and Y53.OH other bump:2.85309 Ang I8.CB and Y53.OH other bump:2.51683 Ang L4.O and Y53.CZ other bump:2.56739 Ang I8.CG2 and Y53.CZ other bump:2.84808 Ang L4.C and Y53.CZ other bump:2.48297 Ang L4.CB and Y53.CE2 other bump:2.88317 Ang L4.O and Y53.CE2 other bump:3.08488 Ang L4.CA and Y53.CE2 other bump:2.59082 Ang L4.C and Y53.CE2 other bump:2.84241 Ang S5.N and Y53.CE2 other bump:2.39255 Ang I8.CG2 and Y53.CE1 other bump:2.77291 Ang I8.CD1 and Y53.CE1 other bump:2.31791 Ang G49.O and P52.CD other bump:2.79741 Ang G49.C and P52.CD other bump:2.53857 Ang K43.NZ and P52.CB other bump:2.20401 Ang L4.CD2 and M48.CE other bump:2.37395 Ang K43.NZ and M48.CE other bump:3.22016 Ang L4.CD2 and M48.SD other bump:2.64122 Ang V16.CB and M48.SD other bump:3.06306 Ang V16.CG1 and M48.CG neighbor-bump: 2.27397 Ang L45.O and K46.CG other bump:2.92672 Ang I17.CG2 and L45.CD2 other bump:2.94458 Ang I17.CG2 and L45.CG other bump:2.41937 Ang I17.CG2 and L45.CA other bump:2.21541 Ang I17.CG2 and L45.N other bump:2.79215 Ang I17.CG2 and T44.C neighbor-bump: 2.78594 Ang V37.CG1 and D38.CA neighbor-bump: 1.60339 Ang V37.CG1 and D38.N neighbor-bump: 2.38393 Ang V37.CB and D38.N self-bump: 2.29709 Ang V37.CG1 and V37.C self-bump: 2.19741 Ang V37.CB and V37.C other bump:2.77919 Ang T26.CB and V37.CG2 other bump:2.3813 Ang T26.CG2 and V37.CG2 other bump:2.34947 Ang T26.OG1 and V37.CG2 other bump:2.95699 Ang T26.CB and V37.CG1 other bump:1.66411 Ang T26.OG1 and V37.CG1 other bump:2.44306 Ang T26.OG1 and V37.CB self-bump: 1.3059 Ang V37.CA and V37.CB other bump:2.67247 Ang T30.CG2 and I36.CD1 neighbor-bump: 1.73252 Ang A32.O and A33.CB neighbor-bump: 2.21128 Ang A32.C and A33.CB other bump:2.83318 Ang T26.CG2 and D31.OD2 other bump:2.05771 Ang G28.N and D31.OD2 other bump:2.841 Ang G28.CA and D31.OD2 other bump:2.87974 Ang T26.CG2 and D31.CG other bump:3.10467 Ang G28.N and D31.CG Number of specific fragments= 2 total=771 Number of alignments=183 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1jeqB read from T0187-1jeqB-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1jeqB in template set T0187 2 :KKPAALIFGGETVVHVKGNGIGGRNQE 1jeqB 7 :KAAVVLCMDVGFTMSNSIPGIESPFEQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.85616 Ang V15.CG1 and N26.CB other bump:3.01424 Ang V15.CG1 and N26.CA T0187 29 :LALSAAIALEGIEGVILCSAGTDGTD 1jeqB 40 :MFVQRQVFAENKDEIALVLFGTDGTD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues T0187 55 :GPTDAAGGIVDGST 1jeqB 70 :GGDQYQNITVHRHL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues self-bump: 2.12655 Ang P3.CA and P3.CD neighbor-bump: 2.42384 Ang G2.CA and P3.CD neighbor-bump: 0.928186 Ang G2.O and P3.CD neighbor-bump: 1.04203 Ang G2.C and P3.CD self-bump: 2.0469 Ang P3.CA and P3.CG neighbor-bump: 2.09253 Ang G2.O and P3.CG neighbor-bump: 2.51153 Ang G2.C and P3.CG T0187 85 :NNDSYNALKKSGALLITGPTGTNVNDLIIGLI 1jeqB 84 :MLPDFDLLEDIESKIQPGSQQADFLDALIVSM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.74519 Ang T21.CG2 and G22.N Number of specific fragments= 4 total=775 Number of alignments=184 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1jeqB read from T0187-1jeqB-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1jeqB in template set T0187 3 :KPAALIF 1jeqB 7 :KAAVVLC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 10 :GGETVVHVKGNGIGG 1jeqB 15 :DVGFTMSNSIPGIES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 25 :RNQELALSAAIALEGIEGVILCSAGTDGTDGPTDAAG 1jeqB 36 :KVITMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues neighbor-bump: 1.73252 Ang A36.O and A37.CB neighbor-bump: 2.21128 Ang A36.C and A37.CB other bump:2.83318 Ang T30.CG2 and D35.OD2 other bump:2.05771 Ang G32.N and D35.OD2 other bump:2.841 Ang G32.CA and D35.OD2 other bump:2.87974 Ang T30.CG2 and D35.CG other bump:3.10467 Ang G32.N and D35.CG T0187 62 :G 1jeqB 77 :I Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 63 :IVDGSTAKTLKAMGEDPY 1jeqB 85 :LPDFDLLEDIESKIQPGS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.43195 Ang T10.CG2 and M14.CE self-bump: 1.37754 Ang K12.CA and K12.CB other bump:2.20027 Ang D4.OD1 and S6.OG T0187 84 :KNNDSYNALKKSGALLITGPTGTNVNDLIIGLI 1jeqB 103 :QQADFLDALIVSMDVIQHETIGKKFEKRHIEIF Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:3.18588 Ang V26.CG1 and D28.C other bump:2.6769 Ang V26.CG1 and D28.O neighbor-bump: 2.71303 Ang T24.CG2 and N25.N other bump:2.94643 Ang T19.C and P21.CD neighbor-bump: 2.29294 Ang G20.N and P21.CD other bump:2.88692 Ang L17.C and P21.CD neighbor-bump: 2.45089 Ang G20.CA and P21.CD neighbor-bump: 1.99266 Ang G20.C and P21.CD self-bump: 1.35552 Ang P21.N and P21.CD other bump:1.69882 Ang L17.O and P21.CD other bump:2.5985 Ang L17.C and P21.CG self-bump: 2.21776 Ang P21.N and P21.CG other bump:1.60189 Ang L17.O and P21.CG Number of specific fragments= 6 total=781 Number of alignments=185 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1jeqB read from T0187-1jeqB-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1jeqB in template set T0187 25 :RNQELALSAAIALEGIEGVILCSAGTDGTDGP 1jeqB 36 :KVITMFVQRQVFAENKDEIALVLFGTDGTDNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues Number of specific fragments= 1 total=782 Number of alignments=186 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1jeqB read from T0187-1jeqB-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1jeqB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGPTDA 1jeqB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNPLSG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.83318 Ang T28.CG2 and D33.OD2 other bump:2.05771 Ang G30.N and D33.OD2 other bump:2.841 Ang G30.CA and D33.OD2 other bump:2.87974 Ang T28.CG2 and D33.CG other bump:3.10467 Ang G30.N and D33.CG Number of specific fragments= 1 total=783 Number of alignments=187 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1jeqB read from T0187-1jeqB-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1jeqB in template set T0187 4 :PAALIFGGETVVHVKGN 1jeqB 7 :KAAVVLCMDVGFTMSNS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.32543 Ang V12.CG2 and H14.CE1 other bump:2.80015 Ang V12.CG2 and H14.ND1 T0187 21 :GIGGRNQE 1jeqB 26 :GIESPFEQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 29 :LALSAAIALEGIEGVILCSAGTDGTDGPTDAAG 1jeqB 40 :MFVQRQVFAENKDEIALVLFGTDGTDNPLSGGD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.21128 Ang A32.C and A33.CB neighbor-bump: 1.73252 Ang A32.O and A33.CB other bump:2.83318 Ang T26.CG2 and D31.OD2 other bump:2.05771 Ang G28.N and D31.OD2 other bump:2.841 Ang G28.CA and D31.OD2 other bump:2.87974 Ang T26.CG2 and D31.CG other bump:3.10467 Ang G28.N and D31.CG T0187 62 :GIVDGSTAKTLK 1jeqB 84 :MLPDFDLLEDIE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.37754 Ang K13.CA and K13.CB other bump:2.20027 Ang D5.OD1 and S7.OG T0187 74 :AMGEDPYQYLKNNDSYNALKKS 1jeqB 102 :SQQADFLDALIVSMDVIQHETI Fragment has 45 clashes (null) has 45 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.07655 Ang N18.C and K22.NZ other bump:1.34058 Ang N18.OD1 and K22.NZ other bump:2.01034 Ang N18.CA and K22.NZ other bump:1.43091 Ang N18.CB and K22.NZ other bump:1.80836 Ang N18.ND2 and K22.NZ other bump:0.733004 Ang N18.CG and K22.NZ other bump:1.28007 Ang N18.OD1 and K22.CE other bump:2.81122 Ang N18.CB and K22.CE other bump:1.60063 Ang N18.ND2 and K22.CE other bump:1.38486 Ang N18.CG and K22.CE other bump:2.77132 Ang N18.OD1 and K22.CD other bump:1.57624 Ang N18.ND2 and K22.CD other bump:2.37225 Ang N18.CG and K22.CD other bump:2.67754 Ang N18.ND2 and K22.CG other bump:0.423372 Ang Y17.CD1 and K21.NZ other bump:1.40078 Ang Y17.CE1 and K21.NZ other bump:2.4717 Ang Y17.CB and K21.NZ other bump:1.2462 Ang Y17.CG and K21.NZ other bump:2.13544 Ang Y17.CD2 and K21.NZ other bump:2.5188 Ang Y17.CE2 and K21.NZ other bump:2.27454 Ang Y17.CZ and K21.NZ other bump:1.1339 Ang Y17.CD1 and K21.CE other bump:2.03039 Ang Y17.CE1 and K21.CE other bump:2.66656 Ang Y17.CA and K21.CE other bump:2.47539 Ang Y17.CB and K21.CE other bump:1.62934 Ang Y17.CG and K21.CE other bump:2.62589 Ang Y17.CD2 and K21.CE other bump:2.99885 Ang Y17.C and K21.CE other bump:2.08848 Ang Y17.CD1 and K21.CD other bump:2.08963 Ang Y17.CE1 and K21.CD other bump:3.04207 Ang Y17.CG and K21.CD other bump:3.06295 Ang Y17.CZ and K21.CD other bump:2.64445 Ang Y17.O and K21.CB other bump:1.73237 Ang D6.OD2 and Q9.NE2 other bump:2.15577 Ang D6.CG and Q9.NE2 other bump:2.36536 Ang D6.CA and Q9.OE1 other bump:1.2064 Ang D6.CB and Q9.OE1 other bump:2.11397 Ang D6.OD2 and Q9.OE1 other bump:1.08825 Ang D6.CG and Q9.OE1 other bump:1.60483 Ang D6.OD1 and Q9.OE1 other bump:2.71387 Ang D6.C and Q9.OE1 other bump:2.19878 Ang D6.CB and Q9.CD other bump:2.20422 Ang D6.OD2 and Q9.CD other bump:1.80356 Ang D6.CG and Q9.CD other bump:2.28836 Ang D6.OD1 and Q9.CD T0187 105 :GTNVNDLIIGLIV 1jeqB 124 :GKKFEKRHIEIFT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.18588 Ang V5.CG1 and D7.C other bump:2.6769 Ang V5.CG1 and D7.O neighbor-bump: 2.71303 Ang T3.CG2 and N4.N Number of specific fragments= 6 total=789 Number of alignments=188 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1jeqB read from T0187-1jeqB-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1jeqB in template set T0187 3 :KPAALIF 1jeqB 7 :KAAVVLC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 11 :GETVVHVKGN 1jeqB 14 :MDVGFTMSNS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.32543 Ang V5.CG2 and H7.CE1 other bump:2.80015 Ang V5.CG2 and H7.ND1 T0187 21 :GIGG 1jeqB 26 :GIES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 25 :RNQELALSAAIALEGIEGVILCSAGTDGTDGPTDAAG 1jeqB 36 :KVITMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues neighbor-bump: 1.73252 Ang A36.O and A37.CB neighbor-bump: 2.21128 Ang A36.C and A37.CB other bump:2.83318 Ang T30.CG2 and D35.OD2 other bump:2.05771 Ang G32.N and D35.OD2 other bump:2.841 Ang G32.CA and D35.OD2 other bump:2.87974 Ang T30.CG2 and D35.CG other bump:3.10467 Ang G32.N and D35.CG T0187 62 :GIVDGSTAKTLK 1jeqB 84 :MLPDFDLLEDIE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.37754 Ang K13.CA and K13.CB other bump:2.20027 Ang D5.OD1 and S7.OG T0187 74 :AMGEDPYQYLKNNDSYNALKKSG 1jeqB 102 :SQQADFLDALIVSMDVIQHETIG Fragment has 45 clashes (null) has 45 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.07655 Ang N18.C and K22.NZ other bump:2.01034 Ang N18.CA and K22.NZ other bump:1.43091 Ang N18.CB and K22.NZ other bump:1.34058 Ang N18.OD1 and K22.NZ other bump:1.80836 Ang N18.ND2 and K22.NZ other bump:0.733004 Ang N18.CG and K22.NZ other bump:2.81122 Ang N18.CB and K22.CE other bump:1.28007 Ang N18.OD1 and K22.CE other bump:1.60063 Ang N18.ND2 and K22.CE other bump:1.38486 Ang N18.CG and K22.CE other bump:2.77132 Ang N18.OD1 and K22.CD other bump:1.57624 Ang N18.ND2 and K22.CD other bump:2.37225 Ang N18.CG and K22.CD other bump:2.67754 Ang N18.ND2 and K22.CG other bump:2.4717 Ang Y17.CB and K21.NZ other bump:0.423372 Ang Y17.CD1 and K21.NZ other bump:1.40078 Ang Y17.CE1 and K21.NZ other bump:1.2462 Ang Y17.CG and K21.NZ other bump:2.13544 Ang Y17.CD2 and K21.NZ other bump:2.5188 Ang Y17.CE2 and K21.NZ other bump:2.27454 Ang Y17.CZ and K21.NZ other bump:2.47539 Ang Y17.CB and K21.CE other bump:1.1339 Ang Y17.CD1 and K21.CE other bump:2.03039 Ang Y17.CE1 and K21.CE other bump:2.66656 Ang Y17.CA and K21.CE other bump:1.62934 Ang Y17.CG and K21.CE other bump:2.62589 Ang Y17.CD2 and K21.CE other bump:2.99885 Ang Y17.C and K21.CE other bump:2.08848 Ang Y17.CD1 and K21.CD other bump:2.08963 Ang Y17.CE1 and K21.CD other bump:3.04207 Ang Y17.CG and K21.CD other bump:3.06295 Ang Y17.CZ and K21.CD other bump:2.64445 Ang Y17.O and K21.CB other bump:2.15577 Ang D6.CG and Q9.NE2 other bump:1.73237 Ang D6.OD2 and Q9.NE2 other bump:2.36536 Ang D6.CA and Q9.OE1 other bump:1.2064 Ang D6.CB and Q9.OE1 other bump:1.08825 Ang D6.CG and Q9.OE1 other bump:2.11397 Ang D6.OD2 and Q9.OE1 other bump:1.60483 Ang D6.OD1 and Q9.OE1 other bump:2.71387 Ang D6.C and Q9.OE1 other bump:2.19878 Ang D6.CB and Q9.CD other bump:1.80356 Ang D6.CG and Q9.CD other bump:2.20422 Ang D6.OD2 and Q9.CD other bump:2.28836 Ang D6.OD1 and Q9.CD T0187 109 :NDLIIGLI 1jeqB 128 :EKRHIEIF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 7 total=796 Number of alignments=189 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1jeqB read from T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1jeqB in template set T0187 25 :RNQELALSAAIALEGIEGVILCSAGTDGTDGP 1jeqB 36 :KVITMFVQRQVFAENKDEIALVLFGTDGTDNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues Number of specific fragments= 1 total=797 Number of alignments=190 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1jeqB read from T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1jeqB in template set T0187 26 :NQELALSAAIALEGIEGVILCSAGTDGTDGPTD 1jeqB 37 :VITMFVQRQVFAENKDEIALVLFGTDGTDNPLS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.83031 Ang T29.CG2 and D34.OD2 other bump:2.83431 Ang T29.CG2 and D34.OD1 other bump:2.07876 Ang G31.N and D34.OD1 other bump:2.74599 Ang T29.CG2 and D34.CG Number of specific fragments= 1 total=798 Number of alignments=191 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1jeqB read from T0187-1jeqB-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1jeqB in template set T0187 2 :KKPAALIFGGETVVHVKGNGIGGRNQE 1jeqB 7 :KAAVVLCMDVGFTMSNSIPGIESPFEQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.85616 Ang V15.CG1 and N26.CB other bump:3.01424 Ang V15.CG1 and N26.CA T0187 29 :LALSAAIALEGIEGVILCSAGTDGTD 1jeqB 40 :MFVQRQVFAENKDEIALVLFGTDGTD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues T0187 55 :GPTDAAGGIVDGST 1jeqB 70 :GGDQYQNITVHRHL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues self-bump: 2.12655 Ang P3.CA and P3.CD neighbor-bump: 2.42384 Ang G2.CA and P3.CD neighbor-bump: 0.928186 Ang G2.O and P3.CD neighbor-bump: 1.04203 Ang G2.C and P3.CD self-bump: 2.0469 Ang P3.CA and P3.CG neighbor-bump: 2.09253 Ang G2.O and P3.CG neighbor-bump: 2.51153 Ang G2.C and P3.CG T0187 85 :NNDSYNALKKSGALLITGPTGTNVNDLIIGLI 1jeqB 84 :MLPDFDLLEDIESKIQPGSQQADFLDALIVSM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.74519 Ang T21.CG2 and G22.N Number of specific fragments= 4 total=802 Number of alignments=192 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1jeqB read from T0187-1jeqB-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1jeqB in template set T0187 3 :KPAALIF 1jeqB 7 :KAAVVLC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 18 :KGN 1jeqB 21 :SNS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 21 :GIGG 1jeqB 26 :GIES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 25 :RNQELALSAAIALEGIEGVILCSAGTDGTDGPTDAAGG 1jeqB 36 :KVITMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGDQ Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues neighbor-bump: 1.73252 Ang A36.O and A37.CB neighbor-bump: 2.21128 Ang A36.C and A37.CB other bump:2.83318 Ang T30.CG2 and D35.OD2 other bump:2.05771 Ang G32.N and D35.OD2 other bump:2.841 Ang G32.CA and D35.OD2 other bump:2.87974 Ang T30.CG2 and D35.CG other bump:3.10467 Ang G32.N and D35.CG T0187 63 :IVDGSTAKTLK 1jeqB 85 :LPDFDLLEDIE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues self-bump: 1.37754 Ang K12.CA and K12.CB other bump:2.20027 Ang D4.OD1 and S6.OG T0187 97 :ALLITGPTGTNVNDLIIGLI 1jeqB 96 :SKIQPGSQQADFLDALIVSM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 2.74519 Ang T9.CG2 and G10.N Number of specific fragments= 6 total=808 Number of alignments=193 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1jeqB read from T0187-1jeqB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1jeqB in template set T0187 2 :KKPAALIFGGE 1jeqB 52 :DEIALVLFGTD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.02741 Ang K3.C and P4.CD neighbor-bump: 2.78499 Ang K3.C and P4.CG T0187 13 :TVVHVKGN 1jeqB 77 :ITVHRHLM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.8527 Ang H5.CD2 and V6.CG2 T0187 21 :GIGGRNQELALSAAIAL 1jeqB 101 :GSQQADFLDALIVSMDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 38 :EGIE 1jeqB 123 :IGKK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.53045 Ang I4.CG2 and E5.N T0187 42 :GVILCSAGTDGTDGPTDAA 1jeqB 128 :EKRHIEIFTDLSSRFSKSQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 2.39567 Ang G15.CA and P16.CD neighbor-bump: 1.74422 Ang G15.C and P16.CD other bump:2.51397 Ang D11.CG and T13.CG2 other bump:2.37756 Ang D11.OD2 and T13.CG2 T0187 66 :GSTAKTLKA 1jeqB 148 :DIIIHSLKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 75 :MGED 1jeqB 185 :LGGH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.99012 Ang G1.C and E4.CG T0187 79 :PYQYLKNNDSYNALKKSG 1jeqB 200 :QQKEGLEIVKMVMISLEG Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.69608 Ang Y12.CD1 and K16.NZ other bump:2.58559 Ang Y12.CD2 and K16.NZ other bump:1.63263 Ang Y12.CE1 and K16.NZ other bump:1.47057 Ang Y12.CE2 and K16.NZ other bump:0.343027 Ang Y12.CZ and K16.NZ other bump:1.08472 Ang Y12.OH and K16.NZ other bump:1.94187 Ang Y12.CE2 and K16.CE other bump:1.69609 Ang Y12.CZ and K16.CE other bump:1.155 Ang Y12.OH and K16.CE other bump:2.17127 Ang Y12.CE2 and K16.CD other bump:2.52399 Ang Y12.CZ and K16.CD other bump:2.53536 Ang Y12.OH and K16.CD other bump:2.89255 Ang Y12.CE2 and K16.CG T0187 97 :ALLIT 1jeqB 222 :DEIYS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.63448 Ang I5.CG2 and T6.O neighbor-bump: 2.63624 Ang I5.CG2 and T6.N T0187 102 :GPT 1jeqB 242 :RHS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 105 :GTNVNDLIIG 1jeqB 254 :GSNLSIRIAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 115 :LIV 1jeqB 267 :ILQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 12 total=820 Number of alignments=194 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1jeqB read from T0187-1jeqB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1jeqB in template set T0187 2 :KKPAALIFGGE 1jeqB 52 :DEIALVLFGTD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.02741 Ang K3.C and P4.CD neighbor-bump: 2.78499 Ang K3.C and P4.CG T0187 13 :TVVHVKGN 1jeqB 77 :ITVHRHLM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.8527 Ang H5.CD2 and V6.CG2 T0187 21 :GIGGRNQELALSAAIAL 1jeqB 101 :GSQQADFLDALIVSMDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 38 :EGIE 1jeqB 123 :IGKK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.53045 Ang I4.CG2 and E5.N T0187 42 :GVILCSAGTDGTDGPTDAA 1jeqB 128 :EKRHIEIFTDLSSRFSKSQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 2.39567 Ang G15.CA and P16.CD neighbor-bump: 1.74422 Ang G15.C and P16.CD other bump:2.51397 Ang D11.CG and T13.CG2 other bump:2.37756 Ang D11.OD2 and T13.CG2 T0187 66 :GSTAKTLKA 1jeqB 148 :DIIIHSLKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 75 :MGED 1jeqB 185 :LGGH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.99012 Ang G1.C and E4.CG T0187 79 :PYQYLKNNDSYNALKKSG 1jeqB 199 :EQQKEGLEIVKMVMISLE Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.29455 Ang N13.ND2 and K17.NZ other bump:3.1339 Ang N8.CG and Y12.CZ other bump:2.72573 Ang N8.OD1 and Y12.CZ other bump:2.84242 Ang N8.ND2 and Y12.CZ other bump:2.73956 Ang N8.CG and Y12.CE2 other bump:1.89943 Ang N8.OD1 and Y12.CE2 other bump:3.06296 Ang N8.ND2 and Y12.CE2 other bump:2.55238 Ang N8.OD1 and Y12.CD2 other bump:2.42948 Ang Y3.CE1 and K7.NZ other bump:2.77168 Ang Y3.CZ and K7.NZ other bump:2.40198 Ang Y3.OH and K7.NZ other bump:1.71009 Ang Y3.CE1 and K7.CE other bump:1.92507 Ang Y3.CZ and K7.CE other bump:1.79708 Ang Y3.OH and K7.CE other bump:2.50171 Ang G1.O and Y5.CD1 T0187 97 :ALLIT 1jeqB 222 :DEIYS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.63448 Ang I5.CG2 and T6.O neighbor-bump: 2.63624 Ang I5.CG2 and T6.N T0187 102 :GPT 1jeqB 242 :RHS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 105 :GTNVNDLIIG 1jeqB 254 :GSNLSIRIAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 115 :LIV 1jeqB 267 :ILQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 12 total=832 Number of alignments=195 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1jeqB read from T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1jeqB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGP 1jeqB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues Number of specific fragments= 1 total=833 Number of alignments=196 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1jeqB read from T0187-1jeqB-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1jeqB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGPTDAAG 1jeqB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 2.21128 Ang A34.C and A35.CB neighbor-bump: 1.73252 Ang A34.O and A35.CB other bump:2.83318 Ang T28.CG2 and D33.OD2 other bump:2.05771 Ang G30.N and D33.OD2 other bump:2.841 Ang G30.CA and D33.OD2 other bump:2.87974 Ang T28.CG2 and D33.CG other bump:3.10467 Ang G30.N and D33.CG Number of specific fragments= 1 total=834 Number of alignments=197 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1jeqB read from T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1jeqB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGP 1jeqB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues Number of specific fragments= 1 total=835 Number of alignments=198 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1jeqB read from T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1jeqB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGPTDAAG 1jeqB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 2.21128 Ang A34.C and A35.CB neighbor-bump: 1.73252 Ang A34.O and A35.CB other bump:2.83318 Ang T28.CG2 and D33.OD2 other bump:2.05771 Ang G30.N and D33.OD2 other bump:2.841 Ang G30.CA and D33.OD2 other bump:2.87974 Ang T28.CG2 and D33.CG other bump:3.10467 Ang G30.N and D33.CG Number of specific fragments= 1 total=836 Number of alignments=199 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-local-adpstyle1.pw.a2m.gz # 1jeqB read from T0187-1jeqB-local-adpstyle1.pw.a2m.gz # found chain 1jeqB in template set T0187 29 :LALSAAIALEGIEGVILCSAGTDGTDGP 1jeqB 40 :MFVQRQVFAENKDEIALVLFGTDGTDNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues Number of specific fragments= 1 total=837 Number of alignments=200 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-local-adpstyle5.pw.a2m.gz # 1jeqB read from T0187-1jeqB-local-adpstyle5.pw.a2m.gz # found chain 1jeqB in template set T0187 29 :LALSAAIALEGIEGVILCSAGTDGTDGPTDAA 1jeqB 40 :MFVQRQVFAENKDEIALVLFGTDGTDNPLSGG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.21129 Ang A32.C and A33.CB neighbor-bump: 1.73253 Ang A32.O and A33.CB other bump:2.83318 Ang T26.CG2 and D31.OD2 other bump:2.05771 Ang G28.N and D31.OD2 other bump:2.841 Ang G28.CA and D31.OD2 other bump:2.87974 Ang T26.CG2 and D31.CG other bump:3.10467 Ang G28.N and D31.CG T0187 62 :GIVDGSTA 1jeqB 72 :DQYQNITV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 78 :DPYQYLK 1jeqB 80 :HRHLMLP Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:1.10585 Ang P3.CD and Y6.OH other bump:2.57879 Ang P3.CG and Y6.OH other bump:1.78662 Ang P3.CD and Y6.CZ other bump:2.88828 Ang P3.CG and Y6.CZ other bump:3.00693 Ang P3.CD and Y6.CE2 other bump:2.4116 Ang Y4.O and Y6.CE1 other bump:2.2464 Ang P3.CD and Y6.CE1 other bump:2.83919 Ang P3.CG and Y6.CE1 other bump:2.2457 Ang Y4.O and Y6.CD1 T0187 88 :SYNALKKSGALLITGPTGTNVNDLIIG 1jeqB 87 :DFDLLEDIESKIQPGSQQADFLDALIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.74519 Ang T18.CG2 and G19.N Number of specific fragments= 4 total=841 Number of alignments=201 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-simpleSW-adpstyle1.pw.a2m.gz # 1jeqB read from T0187-1jeqB-simpleSW-adpstyle1.pw.a2m.gz # found chain 1jeqB in template set T0187 38 :EGIEGVILCSAGTDGTDGP 1jeqB 49 :ENKDEIALVLFGTDGTDNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues Number of specific fragments= 1 total=842 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-simpleSW-adpstyle5.pw.a2m.gz # 1jeqB read from T0187-1jeqB-simpleSW-adpstyle5.pw.a2m.gz # found chain 1jeqB in template set T0187 34 :AIALEGIEGVILCSAGTDGTDGPTDAA 1jeqB 45 :QVFAENKDEIALVLFGTDGTDNPLSGG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.21129 Ang A27.C and A28.CB neighbor-bump: 1.73253 Ang A27.O and A28.CB other bump:2.83318 Ang T21.CG2 and D26.OD2 other bump:2.05771 Ang G23.N and D26.OD2 other bump:2.841 Ang G23.CA and D26.OD2 other bump:2.87974 Ang T21.CG2 and D26.CG other bump:3.10467 Ang G23.N and D26.CG Number of specific fragments= 1 total=843 Number of alignments=202 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-vit-adpstyle1.pw.a2m.gz # 1jeqB read from T0187-1jeqB-vit-adpstyle1.pw.a2m.gz # found chain 1jeqB in template set T0187 29 :LALSAAIALEGIEGVILCSAGTDGTDGP 1jeqB 40 :MFVQRQVFAENKDEIALVLFGTDGTDNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues Number of specific fragments= 1 total=844 Number of alignments=203 # Reading fragments from alignment file # T0187 read from T0187-1jeqB-vit-adpstyle5.pw.a2m.gz # 1jeqB read from T0187-1jeqB-vit-adpstyle5.pw.a2m.gz # found chain 1jeqB in template set T0187 29 :LALSAAIALEGIEGVILCSAGTDGTDGPTDAA 1jeqB 40 :MFVQRQVFAENKDEIALVLFGTDGTDNPLSGG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.21129 Ang A32.C and A33.CB neighbor-bump: 1.73253 Ang A32.O and A33.CB other bump:2.83318 Ang T26.CG2 and D31.OD2 other bump:2.05771 Ang G28.N and D31.OD2 other bump:2.841 Ang G28.CA and D31.OD2 other bump:2.87974 Ang T26.CG2 and D31.CG other bump:3.10467 Ang G28.N and D31.CG T0187 62 :GIVDGSTA 1jeqB 72 :DQYQNITV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 78 :DPYQYLK 1jeqB 80 :HRHLMLP Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:1.10585 Ang P3.CD and Y6.OH other bump:2.57879 Ang P3.CG and Y6.OH other bump:1.78662 Ang P3.CD and Y6.CZ other bump:2.88828 Ang P3.CG and Y6.CZ other bump:3.00693 Ang P3.CD and Y6.CE2 other bump:2.4116 Ang Y4.O and Y6.CE1 other bump:2.2464 Ang P3.CD and Y6.CE1 other bump:2.83919 Ang P3.CG and Y6.CE1 other bump:2.2457 Ang Y4.O and Y6.CD1 T0187 88 :SYNALKKSGALLITGPTGTNVNDLIIG 1jeqB 87 :DFDLLEDIESKIQPGSQQADFLDALIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.74519 Ang T18.CG2 and G19.N Number of specific fragments= 4 total=848 Number of alignments=204 # Prefix for input files set to 1jeyB/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1jeyB-T0187-local-adpstyle1.pw.a2m.gz # 1jeyB read from 1jeyB-T0187-local-adpstyle1.pw.a2m.gz # found chain 1jeyB in template set T0187 28 :ELALSAAIALEGIEGVILCSAGTDGTDGPTDAAGGIVDGSTAKTLKAMGEDPYQYLKN 1jeyB 39 :TMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGDQYQNITVHRHLMLPDFDLLEDIES Fragment has 46 clashes (null) has 46 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 60 residues other bump:2.44735 Ang L5.CD1 and L57.CD1 other bump:2.65616 Ang D52.O and Y56.CD1 other bump:2.13003 Ang L5.C and Y54.OH other bump:2.1762 Ang I9.CG2 and Y54.OH other bump:1.24784 Ang L5.O and Y54.OH other bump:2.88047 Ang I9.CB and Y54.OH other bump:2.67191 Ang L5.C and Y54.CZ other bump:2.49897 Ang I9.CG2 and Y54.CZ other bump:2.34658 Ang L5.O and Y54.CZ other bump:2.53583 Ang L5.CB and Y54.CE2 other bump:3.05589 Ang L5.CA and Y54.CE2 other bump:2.47485 Ang L5.C and Y54.CE2 other bump:2.66992 Ang S6.N and Y54.CE2 other bump:2.81037 Ang L5.O and Y54.CE2 other bump:2.20357 Ang I9.CG2 and Y54.CE1 other bump:3.03451 Ang I9.CB and Y54.CE1 other bump:2.78587 Ang I9.CD1 and Y54.CE1 other bump:2.99096 Ang I9.CG1 and Y54.CE1 other bump:2.52709 Ang G50.O and P53.CD other bump:2.90864 Ang G50.C and P53.CD other bump:2.87145 Ang L5.CG and M49.CE other bump:1.88623 Ang L5.CD2 and M49.CE other bump:2.85875 Ang L5.CD2 and M49.SD other bump:2.77763 Ang V17.CB and M49.SD neighbor-bump: 2.52482 Ang L46.O and K47.CG other bump:2.96725 Ang I18.CG2 and L46.CG other bump:2.5921 Ang I18.CG2 and L46.CA other bump:2.34377 Ang I18.CG2 and L46.N other bump:3.00435 Ang I18.CG2 and T45.C other bump:3.09461 Ang C20.SG and T42.CG2 neighbor-bump: 2.76802 Ang V38.CG1 and D39.CA neighbor-bump: 2.37549 Ang V38.CB and D39.N other bump:2.63981 Ang T27.OG1 and D39.N neighbor-bump: 1.56143 Ang V38.CG1 and D39.N self-bump: 2.1919 Ang V38.CB and V38.C self-bump: 2.288 Ang V38.CG1 and V38.C other bump:2.30843 Ang T27.CG2 and V38.CG2 other bump:2.60743 Ang T27.OG1 and V38.CG2 other bump:2.71972 Ang T27.CB and V38.CG1 other bump:1.37387 Ang T27.OG1 and V38.CG1 self-bump: 1.30428 Ang V38.CA and V38.CB other bump:2.42252 Ang T27.OG1 and V38.CB neighbor-bump: 1.86614 Ang A33.O and A34.CB neighbor-bump: 2.29633 Ang A33.C and A34.CB other bump:2.63108 Ang T27.CG2 and D32.OD2 other bump:2.95527 Ang T27.CG2 and D32.CG Number of specific fragments= 1 total=849 Number of alignments=205 # Reading fragments from alignment file # T0187 read from 1jeyB-T0187-local-adpstyle5.pw.a2m.gz # 1jeyB read from 1jeyB-T0187-local-adpstyle5.pw.a2m.gz # found chain 1jeyB in template set T0187 29 :LALSAAIALEGIEGVILCSAGTDGTDGPTDAAGGIVDGSTAKTLKAMGED 1jeyB 40 :MFVQRQVFAENKDEIALVLFGTDGTDNPLSGGDQYQNITVHRHLMLPDFD Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:2.87145 Ang L4.CG and M48.CE other bump:1.88623 Ang L4.CD2 and M48.CE other bump:2.85875 Ang L4.CD2 and M48.SD other bump:2.77763 Ang V16.CB and M48.SD neighbor-bump: 2.52482 Ang L45.O and K46.CG other bump:2.96725 Ang I17.CG2 and L45.CG other bump:2.5921 Ang I17.CG2 and L45.CA other bump:2.34377 Ang I17.CG2 and L45.N other bump:3.00435 Ang I17.CG2 and T44.C other bump:3.09461 Ang C19.SG and T41.CG2 neighbor-bump: 2.76802 Ang V37.CG1 and D38.CA neighbor-bump: 2.37549 Ang V37.CB and D38.N other bump:2.63981 Ang T26.OG1 and D38.N neighbor-bump: 1.56143 Ang V37.CG1 and D38.N self-bump: 2.1919 Ang V37.CB and V37.C self-bump: 2.288 Ang V37.CG1 and V37.C other bump:2.30843 Ang T26.CG2 and V37.CG2 other bump:2.60743 Ang T26.OG1 and V37.CG2 other bump:2.71972 Ang T26.CB and V37.CG1 other bump:1.37387 Ang T26.OG1 and V37.CG1 self-bump: 1.30428 Ang V37.CA and V37.CB other bump:2.42252 Ang T26.OG1 and V37.CB neighbor-bump: 1.86614 Ang A32.O and A33.CB neighbor-bump: 2.29633 Ang A32.C and A33.CB other bump:2.63108 Ang T26.CG2 and D31.OD2 other bump:2.95527 Ang T26.CG2 and D31.CG Number of specific fragments= 1 total=850 Number of alignments=206 # Reading fragments from alignment file # T0187 read from 1jeyB-T0187-vit-adpstyle1.pw.a2m.gz # 1jeyB read from 1jeyB-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1jeyB in template set T0187 28 :ELALSAAIALEGIEGVILCSAGTDGTDGPTDAAGGIVDGSTAKTLKAMGEDPYQYLKN 1jeyB 39 :TMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGDQYQNITVHRHLMLPDFDLLEDIES Fragment has 46 clashes (null) has 46 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 60 residues other bump:2.44735 Ang L5.CD1 and L57.CD1 other bump:2.65616 Ang D52.O and Y56.CD1 other bump:2.13003 Ang L5.C and Y54.OH other bump:2.1762 Ang I9.CG2 and Y54.OH other bump:1.24784 Ang L5.O and Y54.OH other bump:2.88047 Ang I9.CB and Y54.OH other bump:2.67191 Ang L5.C and Y54.CZ other bump:2.49897 Ang I9.CG2 and Y54.CZ other bump:2.34658 Ang L5.O and Y54.CZ other bump:2.53583 Ang L5.CB and Y54.CE2 other bump:3.05589 Ang L5.CA and Y54.CE2 other bump:2.47485 Ang L5.C and Y54.CE2 other bump:2.66992 Ang S6.N and Y54.CE2 other bump:2.81037 Ang L5.O and Y54.CE2 other bump:2.20357 Ang I9.CG2 and Y54.CE1 other bump:3.03451 Ang I9.CB and Y54.CE1 other bump:2.78587 Ang I9.CD1 and Y54.CE1 other bump:2.99096 Ang I9.CG1 and Y54.CE1 other bump:2.52709 Ang G50.O and P53.CD other bump:2.90864 Ang G50.C and P53.CD other bump:2.87145 Ang L5.CG and M49.CE other bump:1.88623 Ang L5.CD2 and M49.CE other bump:2.85875 Ang L5.CD2 and M49.SD other bump:2.77763 Ang V17.CB and M49.SD neighbor-bump: 2.52482 Ang L46.O and K47.CG other bump:2.96725 Ang I18.CG2 and L46.CG other bump:2.5921 Ang I18.CG2 and L46.CA other bump:2.34377 Ang I18.CG2 and L46.N other bump:3.00435 Ang I18.CG2 and T45.C other bump:3.09461 Ang C20.SG and T42.CG2 neighbor-bump: 2.76802 Ang V38.CG1 and D39.CA neighbor-bump: 2.37549 Ang V38.CB and D39.N other bump:2.63981 Ang T27.OG1 and D39.N neighbor-bump: 1.56143 Ang V38.CG1 and D39.N self-bump: 2.1919 Ang V38.CB and V38.C self-bump: 2.288 Ang V38.CG1 and V38.C other bump:2.30843 Ang T27.CG2 and V38.CG2 other bump:2.60743 Ang T27.OG1 and V38.CG2 other bump:2.71972 Ang T27.CB and V38.CG1 other bump:1.37387 Ang T27.OG1 and V38.CG1 self-bump: 1.30428 Ang V38.CA and V38.CB other bump:2.42252 Ang T27.OG1 and V38.CB neighbor-bump: 1.86614 Ang A33.O and A34.CB neighbor-bump: 2.29633 Ang A33.C and A34.CB other bump:2.63108 Ang T27.CG2 and D32.OD2 other bump:2.95527 Ang T27.CG2 and D32.CG Number of specific fragments= 1 total=851 Number of alignments=207 # Reading fragments from alignment file # T0187 read from 1jeyB-T0187-vit-adpstyle5.pw.a2m.gz # 1jeyB read from 1jeyB-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1jeyB in template set T0187 29 :LALSAAIALEGIEGVILCSAGTDGTDGPTDAAGGIVDGSTAKTLKAMGED 1jeyB 40 :MFVQRQVFAENKDEIALVLFGTDGTDNPLSGGDQYQNITVHRHLMLPDFD Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:2.87145 Ang L4.CG and M48.CE other bump:1.88623 Ang L4.CD2 and M48.CE other bump:2.85875 Ang L4.CD2 and M48.SD other bump:2.77763 Ang V16.CB and M48.SD neighbor-bump: 2.52482 Ang L45.O and K46.CG other bump:2.96725 Ang I17.CG2 and L45.CG other bump:2.5921 Ang I17.CG2 and L45.CA other bump:2.34377 Ang I17.CG2 and L45.N other bump:3.00435 Ang I17.CG2 and T44.C other bump:3.09461 Ang C19.SG and T41.CG2 neighbor-bump: 2.76802 Ang V37.CG1 and D38.CA neighbor-bump: 2.37549 Ang V37.CB and D38.N other bump:2.63981 Ang T26.OG1 and D38.N neighbor-bump: 1.56143 Ang V37.CG1 and D38.N self-bump: 2.1919 Ang V37.CB and V37.C self-bump: 2.288 Ang V37.CG1 and V37.C other bump:2.30843 Ang T26.CG2 and V37.CG2 other bump:2.60743 Ang T26.OG1 and V37.CG2 other bump:2.71972 Ang T26.CB and V37.CG1 other bump:1.37387 Ang T26.OG1 and V37.CG1 self-bump: 1.30428 Ang V37.CA and V37.CB other bump:2.42252 Ang T26.OG1 and V37.CB neighbor-bump: 1.86614 Ang A32.O and A33.CB neighbor-bump: 2.29633 Ang A32.C and A33.CB other bump:2.63108 Ang T26.CG2 and D31.OD2 other bump:2.95527 Ang T26.CG2 and D31.CG Number of specific fragments= 1 total=852 Number of alignments=208 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1jeyB read from T0187-1jeyB-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1jeyB in template set T0187 2 :KKPAALIFGGETVVHVKGNGIGGRNQE 1jeyB 7 :KAAVVLCMDVGFTMSNSIPGIESPFEQ Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.90312 Ang F9.CZ and N26.ND2 other bump:2.78929 Ang V15.CG1 and N26.CB other bump:3.04593 Ang V15.CG1 and N26.CA other bump:2.50363 Ang T13.CA and H16.CE1 other bump:2.70337 Ang T13.CB and H16.CE1 other bump:2.14313 Ang T13.C and H16.CE1 other bump:1.54458 Ang T13.O and H16.CE1 other bump:2.86424 Ang T13.CA and H16.ND1 other bump:2.30986 Ang T13.C and H16.ND1 other bump:1.32899 Ang T13.O and H16.ND1 other bump:2.45222 Ang T13.O and H16.CG T0187 29 :LALSAAIALEGIEGVILCSAGTDGTDGPTDAAG 1jeyB 40 :MFVQRQVFAENKDEIALVLFGTDGTDNPLSGGD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 1.86614 Ang A32.O and A33.CB neighbor-bump: 2.29633 Ang A32.C and A33.CB other bump:2.63108 Ang T26.CG2 and D31.OD2 other bump:2.95527 Ang T26.CG2 and D31.CG T0187 62 :GIVDGSTAKTLKAMGEDPY 1jeyB 84 :MLPDFDLLEDIESKIQPGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 84 :KNNDSYNALKKSGALLITGPTGTNVNDLIIGLIV 1jeyB 103 :QQADFLDALIVSMDVIQHETIGKKFEKRHIEIFT Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:3.12803 Ang V26.CG1 and D28.C other bump:2.33917 Ang V26.CG1 and D28.O neighbor-bump: 2.21854 Ang T22.CG2 and G23.N self-bump: 1.32627 Ang T22.CA and T22.CB other bump:2.33167 Ang L17.O and P21.CD other bump:3.00569 Ang L17.C and P21.CD neighbor-bump: 2.556 Ang G20.N and P21.CD self-bump: 1.36569 Ang P21.N and P21.CD other bump:3.16386 Ang L17.CA and P21.CG other bump:2.00297 Ang L17.O and P21.CG other bump:2.86063 Ang L17.C and P21.CG Number of specific fragments= 4 total=856 Number of alignments=209 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1jeyB read from T0187-1jeyB-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1jeyB in template set T0187 3 :KPAALIF 1jeyB 7 :KAAVVLC Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.13902 Ang K2.C and P3.CD T0187 10 :GGETVVHVKGNGIGG 1jeyB 15 :DVGFTMSNSIPGIES Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.70337 Ang T5.CB and H8.CE1 other bump:2.50363 Ang T5.CA and H8.CE1 other bump:2.14313 Ang T5.C and H8.CE1 other bump:1.54458 Ang T5.O and H8.CE1 other bump:2.86424 Ang T5.CA and H8.ND1 other bump:2.30986 Ang T5.C and H8.ND1 other bump:1.32899 Ang T5.O and H8.ND1 other bump:2.45222 Ang T5.O and H8.CG T0187 25 :RNQELALSAAIALEGIEGVILCSAGTDGTDGPTDAAG 1jeyB 36 :KVITMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGD Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues neighbor-bump: 1.86614 Ang A36.O and A37.CB neighbor-bump: 2.29633 Ang A36.C and A37.CB other bump:2.63108 Ang T30.CG2 and D35.OD2 other bump:2.95527 Ang T30.CG2 and D35.CG other bump:2.19106 Ang G1.O and E5.OE2 other bump:0.811631 Ang G1.O and E5.OE1 other bump:1.87362 Ang G1.C and E5.OE1 other bump:2.71402 Ang R2.CA and E5.OE1 other bump:1.66544 Ang G1.O and E5.CD other bump:2.75691 Ang G1.C and E5.CD T0187 62 :GIVDGSTAKTLKAMGEDPY 1jeyB 84 :MLPDFDLLEDIESKIQPGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 84 :KNNDSYNALKKSGALLITGPTGTNVNDLIIGLIV 1jeyB 103 :QQADFLDALIVSMDVIQHETIGKKFEKRHIEIFT Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:3.12803 Ang V26.CG1 and D28.C other bump:2.33917 Ang V26.CG1 and D28.O neighbor-bump: 2.21854 Ang T22.CG2 and G23.N self-bump: 1.32627 Ang T22.CA and T22.CB other bump:2.33167 Ang L17.O and P21.CD other bump:3.00569 Ang L17.C and P21.CD neighbor-bump: 2.556 Ang G20.N and P21.CD self-bump: 1.36569 Ang P21.N and P21.CD other bump:3.16386 Ang L17.CA and P21.CG other bump:2.00297 Ang L17.O and P21.CG other bump:2.86063 Ang L17.C and P21.CG Number of specific fragments= 5 total=861 Number of alignments=210 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1jeyB read from T0187-1jeyB-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1jeyB in template set T0187 25 :RNQELALSAAIALEGIEGVILCSAGTDGTDGP 1jeyB 36 :KVITMFVQRQVFAENKDEIALVLFGTDGTDNP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.19106 Ang G1.O and E5.OE2 other bump:0.811631 Ang G1.O and E5.OE1 other bump:1.87362 Ang G1.C and E5.OE1 other bump:2.71402 Ang R2.CA and E5.OE1 other bump:1.66544 Ang G1.O and E5.CD other bump:2.75691 Ang G1.C and E5.CD Number of specific fragments= 1 total=862 Number of alignments=211 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1jeyB read from T0187-1jeyB-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1jeyB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGPTD 1jeyB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNPLS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.96697 Ang T28.CG2 and D33.OD2 other bump:2.64128 Ang T28.CG2 and D33.OD1 other bump:2.84488 Ang T28.CG2 and D33.CG Number of specific fragments= 1 total=863 Number of alignments=212 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1jeyB read from T0187-1jeyB-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1jeyB in template set T0187 4 :PAALIFGGETVVHVKGN 1jeyB 7 :KAAVVLCMDVGFTMSNS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.21803 Ang V12.CG2 and H14.CE1 other bump:2.69869 Ang V12.CG2 and H14.ND1 T0187 21 :GIGGRNQE 1jeyB 26 :GIESPFEQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 29 :LALSAAIALEGIEGVILCSAGTDGTDGPTDAAG 1jeyB 40 :MFVQRQVFAENKDEIALVLFGTDGTDNPLSGGD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 1.86614 Ang A32.O and A33.CB neighbor-bump: 2.29633 Ang A32.C and A33.CB other bump:2.63108 Ang T26.CG2 and D31.OD2 other bump:2.95527 Ang T26.CG2 and D31.CG T0187 62 :GIVDGSTAKTLKA 1jeyB 84 :MLPDFDLLEDIES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 75 :MGEDPYQYLKNNDSYNALKKS 1jeyB 103 :QQADFLDALIVSMDVIQHETI Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.42084 Ang N17.C and K21.NZ other bump:1.59706 Ang N17.CB and K21.NZ other bump:2.1106 Ang N17.CA and K21.NZ other bump:2.40905 Ang Y16.CB and K20.NZ other bump:2.46886 Ang Y16.CA and K20.NZ other bump:2.22819 Ang Y16.CG and K20.NZ other bump:1.70037 Ang Y16.CD1 and K20.NZ other bump:2.50925 Ang Y16.CG and K20.CE other bump:1.4183 Ang Y16.CD1 and K20.CE other bump:1.82146 Ang Y16.CE1 and K20.CE other bump:2.93011 Ang Y16.CD1 and K20.CD T0187 105 :GTNVNDLIIGLIV 1jeyB 124 :GKKFEKRHIEIFT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.12803 Ang V5.CG1 and D7.C other bump:2.33917 Ang V5.CG1 and D7.O Number of specific fragments= 6 total=869 Number of alignments=213 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1jeyB read from T0187-1jeyB-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1jeyB in template set T0187 3 :KPAALIF 1jeyB 7 :KAAVVLC Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.13902 Ang K2.C and P3.CD T0187 11 :GETVVHVKGN 1jeyB 14 :MDVGFTMSNS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.21803 Ang V5.CG2 and H7.CE1 other bump:2.69869 Ang V5.CG2 and H7.ND1 T0187 21 :GIGG 1jeyB 26 :GIES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 25 :RNQELALSAAIALEGIEGVILCSAGTDGTDGPTDAAG 1jeyB 36 :KVITMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGD Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues neighbor-bump: 1.86614 Ang A36.O and A37.CB neighbor-bump: 2.29633 Ang A36.C and A37.CB other bump:2.63108 Ang T30.CG2 and D35.OD2 other bump:2.95527 Ang T30.CG2 and D35.CG other bump:2.19106 Ang G1.O and E5.OE2 other bump:0.811631 Ang G1.O and E5.OE1 other bump:1.87362 Ang G1.C and E5.OE1 other bump:2.71402 Ang R2.CA and E5.OE1 other bump:1.66544 Ang G1.O and E5.CD other bump:2.75691 Ang G1.C and E5.CD T0187 62 :GIVDGSTAKTLKAM 1jeyB 84 :MLPDFDLLEDIESK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 76 :GEDPYQYLKNNDSYNALKKSG 1jeyB 104 :QADFLDALIVSMDVIQHETIG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.42084 Ang N16.C and K20.NZ other bump:2.1106 Ang N16.CA and K20.NZ other bump:1.59706 Ang N16.CB and K20.NZ other bump:2.46886 Ang Y15.CA and K19.NZ other bump:2.40905 Ang Y15.CB and K19.NZ other bump:2.22819 Ang Y15.CG and K19.NZ other bump:1.70037 Ang Y15.CD1 and K19.NZ other bump:2.50925 Ang Y15.CG and K19.CE other bump:1.4183 Ang Y15.CD1 and K19.CE other bump:1.82146 Ang Y15.CE1 and K19.CE other bump:2.93011 Ang Y15.CD1 and K19.CD T0187 111 :LIIGLI 1jeyB 130 :RHIEIF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 7 total=876 Number of alignments=214 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1jeyB read from T0187-1jeyB-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1jeyB in template set T0187 25 :RNQELALSAAIALEGIEGVILCSAGTDGTDGP 1jeyB 36 :KVITMFVQRQVFAENKDEIALVLFGTDGTDNP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.19106 Ang G1.O and E5.OE2 other bump:0.811631 Ang G1.O and E5.OE1 other bump:1.87362 Ang G1.C and E5.OE1 other bump:2.71402 Ang R2.CA and E5.OE1 other bump:1.66544 Ang G1.O and E5.CD other bump:2.75691 Ang G1.C and E5.CD Number of specific fragments= 1 total=877 Number of alignments=215 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1jeyB read from T0187-1jeyB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1jeyB in template set T0187 26 :NQELALSAAIALEGIEGVILCSAGTDGTDGPTD 1jeyB 37 :VITMFVQRQVFAENKDEIALVLFGTDGTDNPLS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.96697 Ang T29.CG2 and D34.OD2 other bump:2.64128 Ang T29.CG2 and D34.OD1 other bump:2.84488 Ang T29.CG2 and D34.CG Number of specific fragments= 1 total=878 Number of alignments=216 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1jeyB read from T0187-1jeyB-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1jeyB in template set T0187 2 :KKPAALIFGGETVVHVKGNGIGGRNQE 1jeyB 7 :KAAVVLCMDVGFTMSNSIPGIESPFEQ Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.90312 Ang F9.CZ and N26.ND2 other bump:2.78929 Ang V15.CG1 and N26.CB other bump:3.04593 Ang V15.CG1 and N26.CA other bump:2.50363 Ang T13.CA and H16.CE1 other bump:2.70337 Ang T13.CB and H16.CE1 other bump:2.14313 Ang T13.C and H16.CE1 other bump:1.54458 Ang T13.O and H16.CE1 other bump:2.86424 Ang T13.CA and H16.ND1 other bump:2.30986 Ang T13.C and H16.ND1 other bump:1.32899 Ang T13.O and H16.ND1 other bump:2.45222 Ang T13.O and H16.CG T0187 29 :LALSAAIALEGIEGVILCSAGTDGTD 1jeyB 40 :MFVQRQVFAENKDEIALVLFGTDGTD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues T0187 55 :GPTDAAGGIVDGST 1jeyB 70 :GGDQYQNITVHRHL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 0.908384 Ang G2.O and P3.CD neighbor-bump: 1.0514 Ang G2.C and P3.CD self-bump: 2.14138 Ang P3.CA and P3.CD neighbor-bump: 2.4343 Ang G2.CA and P3.CD neighbor-bump: 2.07753 Ang G2.O and P3.CG neighbor-bump: 2.51605 Ang G2.C and P3.CG self-bump: 2.04618 Ang P3.CA and P3.CG T0187 85 :NNDSYNALKKSGALLITGPTGTNVNDLIIGLI 1jeyB 84 :MLPDFDLLEDIESKIQPGSQQADFLDALIVSM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.45354 Ang T21.CG2 and G22.N Number of specific fragments= 4 total=882 Number of alignments=217 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1jeyB read from T0187-1jeyB-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1jeyB in template set T0187 3 :KPAALIF 1jeyB 7 :KAAVVLC Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.13902 Ang K2.C and P3.CD T0187 18 :KGN 1jeyB 21 :SNS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 21 :GIGG 1jeyB 26 :GIES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 25 :RNQELALSAAIALEGIEGVILCSAGTDGTDGPTDAAGG 1jeyB 36 :KVITMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGDQ Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues neighbor-bump: 1.86614 Ang A36.O and A37.CB neighbor-bump: 2.29633 Ang A36.C and A37.CB other bump:2.63108 Ang T30.CG2 and D35.OD2 other bump:2.95527 Ang T30.CG2 and D35.CG other bump:2.19106 Ang G1.O and E5.OE2 other bump:0.811631 Ang G1.O and E5.OE1 other bump:1.87362 Ang G1.C and E5.OE1 other bump:2.71402 Ang R2.CA and E5.OE1 other bump:1.66544 Ang G1.O and E5.CD other bump:2.75691 Ang G1.C and E5.CD T0187 63 :IVDG 1jeyB 78 :TVHR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 86 :NDSYNALKKSGALLITGPTGTNVNDLIIGLI 1jeyB 85 :LPDFDLLEDIESKIQPGSQQADFLDALIVSM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.45354 Ang T20.CG2 and G21.N Number of specific fragments= 6 total=888 Number of alignments=218 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1jeyB read from T0187-1jeyB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1jeyB in template set T0187 2 :KKPA 1jeyB 51 :KDEI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 6 :ALIFGGE 1jeyB 56 :LVLFGTD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 13 :TVVHVK 1jeyB 77 :ITVHRH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.93369 Ang H5.CD2 and V6.CG2 T0187 19 :GNGIGGRNQELALSAAIAL 1jeyB 99 :QPGSQQADFLDALIVSMDV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.98564 Ang N9.CB and L12.CD1 T0187 38 :EGIE 1jeyB 121 :ETIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 42 :GVILCSAGTDGTDGPT 1jeyB 128 :EKRHIEIFTDLSSRFS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 2.4072 Ang G15.CA and P16.CD neighbor-bump: 1.81681 Ang G15.C and P16.CD other bump:2.7462 Ang D11.OD2 and T13.CG2 other bump:2.75873 Ang D11.CG and T13.CG2 T0187 65 :DGSTAKTLKA 1jeyB 144 :KSQLDIIIHS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 75 :MGEDPYQYLKNNDSYNALKKSG 1jeyB 195 :KGITEQQKEGLEIVKMVMISLE Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.89446 Ang N12.OD1 and Y16.CZ other bump:3.11779 Ang N12.CG and Y16.CE2 other bump:2.24328 Ang N12.OD1 and Y16.CE2 other bump:2.65691 Ang Y7.CE2 and K11.NZ other bump:2.41484 Ang Y7.CE2 and K11.CE other bump:2.7136 Ang Y7.CZ and K11.CE other bump:0.673222 Ang G1.O and Y9.OH other bump:1.36502 Ang G1.C and Y9.OH other bump:2.21427 Ang M2.CA and Y9.OH other bump:1.96914 Ang M2.N and Y9.OH other bump:1.24214 Ang G1.O and Y9.CZ other bump:2.46952 Ang G1.C and Y9.CZ other bump:2.11793 Ang G1.O and Y9.CE2 other bump:2.32511 Ang G1.O and Y9.CE1 other bump:2.52946 Ang D5.O and Y9.CD1 other bump:2.40988 Ang E4.OE1 and Q8.CD other bump:2.59107 Ang D5.OD2 and Q8.CG other bump:2.62543 Ang D5.OD2 and Q8.CB other bump:2.26564 Ang D5.OD2 and Q8.N T0187 97 :ALLIT 1jeyB 222 :DEIYS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.5475 Ang I5.CG2 and T6.O T0187 103 :PTGTNVN 1jeyB 231 :LRKLCVF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 110 :DLIIGLI 1jeyB 258 :SIRIAAY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 11 total=899 Number of alignments=219 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1jeyB read from T0187-1jeyB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1jeyB in template set T0187 2 :KKP 1jeyB 51 :KDE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 5 :AALIFGGE 1jeyB 55 :ALVLFGTD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 13 :TVVHVK 1jeyB 77 :ITVHRH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.93369 Ang H5.CD2 and V6.CG2 T0187 19 :GNGIGGRNQELALSAAIAL 1jeyB 99 :QPGSQQADFLDALIVSMDV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.98564 Ang N9.CB and L12.CD1 T0187 38 :EGIE 1jeyB 121 :ETIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 42 :GVILCSAGTDGTDGPT 1jeyB 128 :EKRHIEIFTDLSSRFS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 2.4072 Ang G15.CA and P16.CD neighbor-bump: 1.81681 Ang G15.C and P16.CD other bump:2.7462 Ang D11.OD2 and T13.CG2 other bump:2.75873 Ang D11.CG and T13.CG2 T0187 65 :DGSTAKTLK 1jeyB 144 :KSQLDIIIH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 75 :MGEDPYQYLKNNDSYNALKKSG 1jeyB 195 :KGITEQQKEGLEIVKMVMISLE Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.89446 Ang N12.OD1 and Y16.CZ other bump:3.11779 Ang N12.CG and Y16.CE2 other bump:2.24328 Ang N12.OD1 and Y16.CE2 other bump:2.65691 Ang Y7.CE2 and K11.NZ other bump:2.41484 Ang Y7.CE2 and K11.CE other bump:2.7136 Ang Y7.CZ and K11.CE other bump:0.673222 Ang G1.O and Y9.OH other bump:1.36502 Ang G1.C and Y9.OH other bump:2.21427 Ang M2.CA and Y9.OH other bump:1.96914 Ang M2.N and Y9.OH other bump:1.24214 Ang G1.O and Y9.CZ other bump:2.46952 Ang G1.C and Y9.CZ other bump:2.11793 Ang G1.O and Y9.CE2 other bump:2.32511 Ang G1.O and Y9.CE1 other bump:2.52946 Ang D5.O and Y9.CD1 other bump:2.40988 Ang E4.OE1 and Q8.CD other bump:2.59107 Ang D5.OD2 and Q8.CG other bump:2.62543 Ang D5.OD2 and Q8.CB other bump:2.26564 Ang D5.OD2 and Q8.N T0187 97 :ALLIT 1jeyB 222 :DEIYS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.5475 Ang I5.CG2 and T6.O T0187 103 :PTGTNVN 1jeyB 231 :LRKLCVF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 110 :DLIIGLI 1jeyB 258 :SIRIAAY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 11 total=910 Number of alignments=220 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1jeyB read from T0187-1jeyB-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1jeyB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGP 1jeyB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues Number of specific fragments= 1 total=911 Number of alignments=221 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1jeyB read from T0187-1jeyB-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1jeyB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGPTDAAG 1jeyB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 1.86614 Ang A34.O and A35.CB neighbor-bump: 2.29633 Ang A34.C and A35.CB other bump:2.63108 Ang T28.CG2 and D33.OD2 other bump:2.95527 Ang T28.CG2 and D33.CG Number of specific fragments= 1 total=912 Number of alignments=222 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1jeyB read from T0187-1jeyB-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1jeyB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGP 1jeyB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues Number of specific fragments= 1 total=913 Number of alignments=223 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1jeyB read from T0187-1jeyB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1jeyB in template set T0187 27 :QELALSAAIALEGIEGVILCSAGTDGTDGPTDAAG 1jeyB 38 :ITMFVQRQVFAENKDEIALVLFGTDGTDNPLSGGD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 1.86614 Ang A34.O and A35.CB neighbor-bump: 2.29633 Ang A34.C and A35.CB other bump:2.63108 Ang T28.CG2 and D33.OD2 other bump:2.95527 Ang T28.CG2 and D33.CG Number of specific fragments= 1 total=914 Number of alignments=224 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-local-adpstyle1.pw.a2m.gz # 1jeyB read from T0187-1jeyB-local-adpstyle1.pw.a2m.gz # found chain 1jeyB in template set T0187 29 :LALSAAIALEGIEGVILCSAGTDGTDGP 1jeyB 40 :MFVQRQVFAENKDEIALVLFGTDGTDNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues Number of specific fragments= 1 total=915 Number of alignments=225 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-local-adpstyle5.pw.a2m.gz # 1jeyB read from T0187-1jeyB-local-adpstyle5.pw.a2m.gz # found chain 1jeyB in template set T0187 29 :LALSAAIALEGIEGVILCSAGTDGTDGPTDAA 1jeyB 40 :MFVQRQVFAENKDEIALVLFGTDGTDNPLSGG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.63108 Ang T26.CG2 and D31.OD2 other bump:2.95527 Ang T26.CG2 and D31.CG T0187 62 :GIVDGSTA 1jeyB 72 :DQYQNITV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.92922 Ang I3.CG2 and V4.CA neighbor-bump: 2.45883 Ang I3.CB and V4.N neighbor-bump: 1.69493 Ang I3.CG2 and V4.N self-bump: 2.32105 Ang I3.CG2 and I3.C self-bump: 1.28618 Ang I3.CA and I3.CB T0187 78 :DPYQYLK 1jeyB 80 :HRHLMLP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:1.54884 Ang P3.CD and Y6.OH other bump:3.09658 Ang P3.CG and Y6.CZ other bump:2.45546 Ang P3.CD and Y6.CZ other bump:2.42201 Ang Y4.O and Y6.CE1 other bump:2.14279 Ang Y4.O and Y6.CD1 T0187 88 :SYNALKKSGALLITGPTGTNVNDLIIG 1jeyB 87 :DFDLLEDIESKIQPGSQQADFLDALIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.45354 Ang T18.CG2 and G19.N Number of specific fragments= 4 total=919 Number of alignments=226 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-simpleSW-adpstyle1.pw.a2m.gz # 1jeyB read from T0187-1jeyB-simpleSW-adpstyle1.pw.a2m.gz # found chain 1jeyB in template set T0187 38 :EGIEGVILCSAGTDGTDGP 1jeyB 49 :ENKDEIALVLFGTDGTDNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues Number of specific fragments= 1 total=920 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-simpleSW-adpstyle5.pw.a2m.gz # 1jeyB read from T0187-1jeyB-simpleSW-adpstyle5.pw.a2m.gz # found chain 1jeyB in template set T0187 34 :AIALEGIEGVILCSAGTDGTDGPTDAA 1jeyB 45 :QVFAENKDEIALVLFGTDGTDNPLSGG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.63108 Ang T21.CG2 and D26.OD2 other bump:2.95527 Ang T21.CG2 and D26.CG Number of specific fragments= 1 total=921 Number of alignments=227 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-vit-adpstyle1.pw.a2m.gz # 1jeyB read from T0187-1jeyB-vit-adpstyle1.pw.a2m.gz # found chain 1jeyB in template set T0187 29 :LALSAAIALEGIEGVILCSAGTDGTDGP 1jeyB 40 :MFVQRQVFAENKDEIALVLFGTDGTDNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues Number of specific fragments= 1 total=922 Number of alignments=228 # Reading fragments from alignment file # T0187 read from T0187-1jeyB-vit-adpstyle5.pw.a2m.gz # 1jeyB read from T0187-1jeyB-vit-adpstyle5.pw.a2m.gz # found chain 1jeyB in template set T0187 29 :LALSAAIALEGIEGVILCSAGTDGTDGPTDAA 1jeyB 40 :MFVQRQVFAENKDEIALVLFGTDGTDNPLSGG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.63108 Ang T26.CG2 and D31.OD2 other bump:2.95527 Ang T26.CG2 and D31.CG T0187 62 :GIVDGSTA 1jeyB 72 :DQYQNITV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.92922 Ang I3.CG2 and V4.CA neighbor-bump: 2.45883 Ang I3.CB and V4.N neighbor-bump: 1.69493 Ang I3.CG2 and V4.N self-bump: 2.32105 Ang I3.CG2 and I3.C self-bump: 1.28618 Ang I3.CA and I3.CB T0187 78 :DPYQYLK 1jeyB 80 :HRHLMLP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:1.54884 Ang P3.CD and Y6.OH other bump:3.09658 Ang P3.CG and Y6.CZ other bump:2.45546 Ang P3.CD and Y6.CZ other bump:2.42201 Ang Y4.O and Y6.CE1 other bump:2.14279 Ang Y4.O and Y6.CD1 T0187 88 :SYNALKKSGALLITGPTGTNVNDLIIG 1jeyB 87 :DFDLLEDIESKIQPGSQQADFLDALIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues neighbor-bump: 2.45354 Ang T18.CG2 and G19.N Number of specific fragments= 4 total=926 Number of alignments=229 # Prefix for input files set to 1xlmA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from T0187-1xlmA-local-adpstyle1.pw.a2m.gz # 1xlmA read from T0187-1xlmA-local-adpstyle1.pw.a2m.gz # adding 1xlmA to template set 1xlmA:# found chain 1xlmA in template set T0187 50 :TDGTDGPTDAAGGIVDGSTAKTLKAMGEDPYQYLKN 1xlmA 298 :TDGYDGVWDSAKANMSMYLLLKERALAFRADPEVQE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.75288 Ang D30.C and K36.NZ other bump:1.71198 Ang D30.O and K36.NZ other bump:1.99515 Ang E29.O and L35.CD1 other bump:2.56376 Ang G28.O and Y32.CD2 other bump:2.95724 Ang G28.C and P31.CD neighbor-bump: 2.49917 Ang D30.N and P31.CD self-bump: 1.37868 Ang P31.N and P31.CD other bump:1.56679 Ang M27.O and P31.CD other bump:2.6793 Ang M27.C and P31.CD other bump:1.55965 Ang M27.O and P31.CG other bump:2.66067 Ang M27.C and P31.CG other bump:1.77121 Ang G4.O and P8.CD other bump:2.78229 Ang G4.C and P8.CD other bump:2.78983 Ang T5.CA and P8.CD other bump:2.46544 Ang T5.O and P8.CD other bump:2.51176 Ang T5.C and P8.CD other bump:3.00254 Ang T5.CA and P8.CG other bump:3.27411 Ang T5.C and P8.CG Number of specific fragments= 1 total=927 Number of alignments=230 # Reading fragments from alignment file # T0187 read from T0187-1xlmA-local-adpstyle5.pw.a2m.gz # 1xlmA read from T0187-1xlmA-local-adpstyle5.pw.a2m.gz # found chain 1xlmA in template set T0187 37 :LEGIEGVILCSAGTDGTDGPTDAAGGIVDGSTAKTLKAMGEDPYQYL 1xlmA 285 :YTGPRHFDYKPSRTDGYDGVWDSAKANMSMYLLLKERALAFRADPEV Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:3.04906 Ang E42.CG and L48.CD2 other bump:2.1719 Ang E42.O and L48.CD2 other bump:2.74006 Ang E42.C and L48.CD2 other bump:2.56376 Ang G41.O and Y45.CD2 other bump:2.95724 Ang G41.C and P44.CD neighbor-bump: 2.49917 Ang D43.N and P44.CD other bump:1.56679 Ang M40.O and P44.CD self-bump: 1.37868 Ang P44.N and P44.CD other bump:2.6793 Ang M40.C and P44.CD other bump:1.55965 Ang M40.O and P44.CG other bump:2.66067 Ang M40.C and P44.CG other bump:2.69875 Ang V8.CG1 and I28.CD1 other bump:2.48855 Ang V8.CG2 and I28.CG2 other bump:1.77121 Ang G17.O and P21.CD other bump:2.78229 Ang G17.C and P21.CD other bump:2.78983 Ang T18.CA and P21.CD other bump:2.46544 Ang T18.O and P21.CD other bump:2.51176 Ang T18.C and P21.CD other bump:3.00254 Ang T18.CA and P21.CG other bump:3.27411 Ang T18.C and P21.CG Number of specific fragments= 1 total=928 Number of alignments=231 # Reading fragments from alignment file # T0187 read from T0187-1xlmA-simpleSW-adpstyle1.pw.a2m.gz # 1xlmA read from T0187-1xlmA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1xlmA in template set T0187 50 :TDGTDGPTDAA 1xlmA 298 :TDGYDGVWDSA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:1.77121 Ang G4.O and P8.CD other bump:2.78229 Ang G4.C and P8.CD other bump:2.78983 Ang T5.CA and P8.CD other bump:2.46544 Ang T5.O and P8.CD other bump:2.51176 Ang T5.C and P8.CD other bump:3.00254 Ang T5.CA and P8.CG other bump:3.27411 Ang T5.C and P8.CG Number of specific fragments= 1 total=929 # Reading fragments from alignment file # T0187 read from T0187-1xlmA-simpleSW-adpstyle5.pw.a2m.gz # 1xlmA read from T0187-1xlmA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1xlmA in template set Number of specific fragments= 0 total=929 # Reading fragments from alignment file # T0187 read from T0187-1xlmA-vit-adpstyle1.pw.a2m.gz # 1xlmA read from T0187-1xlmA-vit-adpstyle1.pw.a2m.gz # found chain 1xlmA in template set T0187 50 :TDGTDGPTDAAGGIVDGSTAKTLKAMGEDPYQYLKN 1xlmA 298 :TDGYDGVWDSAKANMSMYLLLKERALAFRADPEVQE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.75288 Ang D30.C and K36.NZ other bump:1.71198 Ang D30.O and K36.NZ other bump:1.99515 Ang E29.O and L35.CD1 other bump:2.56376 Ang G28.O and Y32.CD2 other bump:2.95724 Ang G28.C and P31.CD neighbor-bump: 2.49917 Ang D30.N and P31.CD self-bump: 1.37868 Ang P31.N and P31.CD other bump:1.56679 Ang M27.O and P31.CD other bump:2.6793 Ang M27.C and P31.CD other bump:1.55965 Ang M27.O and P31.CG other bump:2.66067 Ang M27.C and P31.CG other bump:1.77121 Ang G4.O and P8.CD other bump:2.78229 Ang G4.C and P8.CD other bump:2.78983 Ang T5.CA and P8.CD other bump:2.46544 Ang T5.O and P8.CD other bump:2.51176 Ang T5.C and P8.CD other bump:3.00254 Ang T5.CA and P8.CG other bump:3.27411 Ang T5.C and P8.CG Number of specific fragments= 1 total=930 Number of alignments=232 # Reading fragments from alignment file # T0187 read from T0187-1xlmA-vit-adpstyle5.pw.a2m.gz # 1xlmA read from T0187-1xlmA-vit-adpstyle5.pw.a2m.gz # found chain 1xlmA in template set T0187 37 :LEGIEGVILCSAGTDGTDGPTDAAGGIVDGSTAKTLKAMGEDPYQYL 1xlmA 285 :YTGPRHFDYKPSRTDGYDGVWDSAKANMSMYLLLKERALAFRADPEV Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:3.04906 Ang E42.CG and L48.CD2 other bump:2.1719 Ang E42.O and L48.CD2 other bump:2.74006 Ang E42.C and L48.CD2 other bump:2.56376 Ang G41.O and Y45.CD2 other bump:2.95724 Ang G41.C and P44.CD neighbor-bump: 2.49917 Ang D43.N and P44.CD other bump:1.56679 Ang M40.O and P44.CD self-bump: 1.37868 Ang P44.N and P44.CD other bump:2.6793 Ang M40.C and P44.CD other bump:1.55965 Ang M40.O and P44.CG other bump:2.66067 Ang M40.C and P44.CG other bump:2.69875 Ang V8.CG1 and I28.CD1 other bump:2.48855 Ang V8.CG2 and I28.CG2 other bump:1.77121 Ang G17.O and P21.CD other bump:2.78229 Ang G17.C and P21.CD other bump:2.78983 Ang T18.CA and P21.CD other bump:2.46544 Ang T18.O and P21.CD other bump:2.51176 Ang T18.C and P21.CD other bump:3.00254 Ang T18.CA and P21.CG other bump:3.27411 Ang T18.C and P21.CG Number of specific fragments= 1 total=931 Number of alignments=233 # Prefix for input files set to 1xlaA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from T0187-1xlaA-local-adpstyle1.pw.a2m.gz # 1xlaA read from T0187-1xlaA-local-adpstyle1.pw.a2m.gz # adding 1xlaA to template set 1xlaA:# found chain 1xlaA in template set T0187 50 :TDGTDGPTDAAGGIVDGSTAKTLKAMGEDPYQYLKN 1xlaA 298 :TDGYDGVWDSAKANMSMYLLLKERALAFRADPEVQE Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues self-bump: 1.37604 Ang N37.CA and N37.CB other bump:1.41183 Ang D30.O and K36.NZ other bump:2.44733 Ang D30.C and K36.NZ other bump:2.16386 Ang E29.O and L35.CD1 other bump:2.70689 Ang Y32.CD2 and L35.N other bump:3.08336 Ang Y32.CE2 and L35.N other bump:3.12523 Ang Y32.CE2 and Y34.C other bump:2.89273 Ang Y32.OH and Y34.CE1 other bump:2.5582 Ang Y32.OH and Y34.CD2 other bump:2.59297 Ang Y32.CZ and Y34.CD1 other bump:1.99226 Ang Y32.OH and Y34.CD1 other bump:2.85517 Ang Y32.CE2 and Y34.CG other bump:1.76901 Ang Y32.OH and Y34.CG other bump:2.25237 Ang Y32.CZ and Y34.CB other bump:2.94678 Ang Y32.CD2 and Y34.CB other bump:1.79374 Ang Y32.CE2 and Y34.CB other bump:2.2858 Ang Y32.OH and Y34.CB other bump:3.18836 Ang Y32.CD2 and Y34.CA other bump:2.60468 Ang Y32.CE2 and Y34.CA other bump:2.89879 Ang Y32.CE2 and Y34.N other bump:1.76136 Ang M27.O and P31.CD other bump:2.92246 Ang M27.C and P31.CD neighbor-bump: 2.49356 Ang D30.N and P31.CD other bump:1.83928 Ang M27.O and P31.CG other bump:2.96942 Ang M27.C and P31.CG other bump:2.07546 Ang G4.O and P8.CD other bump:3.09728 Ang G4.C and P8.CD other bump:2.67477 Ang T5.C and P8.CD other bump:3.00418 Ang T5.CA and P8.CD other bump:2.51768 Ang T5.O and P8.CD other bump:3.19062 Ang T5.CA and P8.CG self-bump: 1.24783 Ang D6.CA and D6.C Number of specific fragments= 1 total=932 Number of alignments=234 # Reading fragments from alignment file # T0187 read from T0187-1xlaA-local-adpstyle5.pw.a2m.gz # 1xlaA read from T0187-1xlaA-local-adpstyle5.pw.a2m.gz # found chain 1xlaA in template set T0187 37 :LEGIEGVILCSAGTDGTDGPTDAAGGIVDGSTAKTLKAMGEDPYQYL 1xlaA 285 :YTGPRHFDYKPSRTDGYDGVWDSAKANMSMYLLLKERALAFRADPEV Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:1.91772 Ang E42.O and L48.CD2 other bump:2.75094 Ang E42.C and L48.CD2 other bump:2.70689 Ang Y45.CD2 and L48.N other bump:3.08336 Ang Y45.CE2 and L48.N other bump:3.12523 Ang Y45.CE2 and Y47.C other bump:2.89273 Ang Y45.OH and Y47.CE1 other bump:2.5582 Ang Y45.OH and Y47.CD2 other bump:2.59297 Ang Y45.CZ and Y47.CD1 other bump:1.99226 Ang Y45.OH and Y47.CD1 other bump:1.76901 Ang Y45.OH and Y47.CG other bump:2.85517 Ang Y45.CE2 and Y47.CG other bump:2.94678 Ang Y45.CD2 and Y47.CB other bump:2.25237 Ang Y45.CZ and Y47.CB other bump:2.2858 Ang Y45.OH and Y47.CB other bump:1.79374 Ang Y45.CE2 and Y47.CB other bump:3.18836 Ang Y45.CD2 and Y47.CA other bump:2.60468 Ang Y45.CE2 and Y47.CA other bump:2.89879 Ang Y45.CE2 and Y47.N other bump:1.76136 Ang M40.O and P44.CD other bump:2.92246 Ang M40.C and P44.CD neighbor-bump: 2.49356 Ang D43.N and P44.CD other bump:1.83928 Ang M40.O and P44.CG other bump:2.96942 Ang M40.C and P44.CG other bump:2.07546 Ang G17.O and P21.CD other bump:3.09728 Ang G17.C and P21.CD other bump:2.67477 Ang T18.C and P21.CD other bump:3.00418 Ang T18.CA and P21.CD other bump:2.51768 Ang T18.O and P21.CD other bump:3.19062 Ang T18.CA and P21.CG self-bump: 1.24783 Ang D19.CA and D19.C Number of specific fragments= 1 total=933 Number of alignments=235 # Reading fragments from alignment file # T0187 read from T0187-1xlaA-simpleSW-adpstyle1.pw.a2m.gz # 1xlaA read from T0187-1xlaA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1xlaA in template set T0187 50 :TDGTDGPTDAA 1xlaA 298 :TDGYDGVWDSA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.07546 Ang G4.O and P8.CD other bump:3.09728 Ang G4.C and P8.CD other bump:3.00418 Ang T5.CA and P8.CD other bump:2.67477 Ang T5.C and P8.CD other bump:2.51768 Ang T5.O and P8.CD other bump:3.19062 Ang T5.CA and P8.CG self-bump: 1.24783 Ang D6.CA and D6.C Number of specific fragments= 1 total=934 # Reading fragments from alignment file # T0187 read from T0187-1xlaA-simpleSW-adpstyle5.pw.a2m.gz # 1xlaA read from T0187-1xlaA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1xlaA in template set Number of specific fragments= 0 total=934 # Reading fragments from alignment file # T0187 read from T0187-1xlaA-vit-adpstyle1.pw.a2m.gz # 1xlaA read from T0187-1xlaA-vit-adpstyle1.pw.a2m.gz # found chain 1xlaA in template set T0187 50 :TDGTDGPTDAAGGIVDGSTAKTLKAMGEDPYQYLKN 1xlaA 298 :TDGYDGVWDSAKANMSMYLLLKERALAFRADPEVQE Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues self-bump: 1.37604 Ang N37.CA and N37.CB other bump:1.41183 Ang D30.O and K36.NZ other bump:2.44733 Ang D30.C and K36.NZ other bump:2.16386 Ang E29.O and L35.CD1 other bump:2.70689 Ang Y32.CD2 and L35.N other bump:3.08336 Ang Y32.CE2 and L35.N other bump:3.12523 Ang Y32.CE2 and Y34.C other bump:2.89273 Ang Y32.OH and Y34.CE1 other bump:2.5582 Ang Y32.OH and Y34.CD2 other bump:2.59297 Ang Y32.CZ and Y34.CD1 other bump:1.99226 Ang Y32.OH and Y34.CD1 other bump:2.85517 Ang Y32.CE2 and Y34.CG other bump:1.76901 Ang Y32.OH and Y34.CG other bump:2.25237 Ang Y32.CZ and Y34.CB other bump:2.94678 Ang Y32.CD2 and Y34.CB other bump:1.79374 Ang Y32.CE2 and Y34.CB other bump:2.2858 Ang Y32.OH and Y34.CB other bump:3.18836 Ang Y32.CD2 and Y34.CA other bump:2.60468 Ang Y32.CE2 and Y34.CA other bump:2.89879 Ang Y32.CE2 and Y34.N other bump:1.76136 Ang M27.O and P31.CD other bump:2.92246 Ang M27.C and P31.CD neighbor-bump: 2.49356 Ang D30.N and P31.CD other bump:1.83928 Ang M27.O and P31.CG other bump:2.96942 Ang M27.C and P31.CG other bump:2.07546 Ang G4.O and P8.CD other bump:3.09728 Ang G4.C and P8.CD other bump:2.67477 Ang T5.C and P8.CD other bump:3.00418 Ang T5.CA and P8.CD other bump:2.51768 Ang T5.O and P8.CD other bump:3.19062 Ang T5.CA and P8.CG self-bump: 1.24783 Ang D6.CA and D6.C Number of specific fragments= 1 total=935 Number of alignments=236 # Reading fragments from alignment file # T0187 read from T0187-1xlaA-vit-adpstyle5.pw.a2m.gz # 1xlaA read from T0187-1xlaA-vit-adpstyle5.pw.a2m.gz # found chain 1xlaA in template set T0187 37 :LEGIEGVILCSAGTDGTDGPTDAAGGIVDGSTAKTLKAMGEDPYQYL 1xlaA 285 :YTGPRHFDYKPSRTDGYDGVWDSAKANMSMYLLLKERALAFRADPEV Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:1.91772 Ang E42.O and L48.CD2 other bump:2.75094 Ang E42.C and L48.CD2 other bump:2.70689 Ang Y45.CD2 and L48.N other bump:3.08336 Ang Y45.CE2 and L48.N other bump:3.12523 Ang Y45.CE2 and Y47.C other bump:2.89273 Ang Y45.OH and Y47.CE1 other bump:2.5582 Ang Y45.OH and Y47.CD2 other bump:2.59297 Ang Y45.CZ and Y47.CD1 other bump:1.99226 Ang Y45.OH and Y47.CD1 other bump:1.76901 Ang Y45.OH and Y47.CG other bump:2.85517 Ang Y45.CE2 and Y47.CG other bump:2.94678 Ang Y45.CD2 and Y47.CB other bump:2.25237 Ang Y45.CZ and Y47.CB other bump:2.2858 Ang Y45.OH and Y47.CB other bump:1.79374 Ang Y45.CE2 and Y47.CB other bump:3.18836 Ang Y45.CD2 and Y47.CA other bump:2.60468 Ang Y45.CE2 and Y47.CA other bump:2.89879 Ang Y45.CE2 and Y47.N other bump:1.76136 Ang M40.O and P44.CD other bump:2.92246 Ang M40.C and P44.CD neighbor-bump: 2.49356 Ang D43.N and P44.CD other bump:1.83928 Ang M40.O and P44.CG other bump:2.96942 Ang M40.C and P44.CG other bump:2.07546 Ang G17.O and P21.CD other bump:3.09728 Ang G17.C and P21.CD other bump:2.67477 Ang T18.C and P21.CD other bump:3.00418 Ang T18.CA and P21.CD other bump:2.51768 Ang T18.O and P21.CD other bump:3.19062 Ang T18.CA and P21.CG self-bump: 1.24783 Ang D19.CA and D19.C Number of specific fragments= 1 total=936 Number of alignments=237 # Prefix for input files set to 1gowA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from T0187-1gowA-local-adpstyle1.pw.a2m.gz # 1gowA read from T0187-1gowA-local-adpstyle1.pw.a2m.gz # adding 1gowA to template set 1gowA:# found chain 1gowA in template set T0187 8 :IFGGETVVHVKGN 1gowA 209 :VVGGLGYVGVKSG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.39685 Ang E6.OE2 and H10.ND1 other bump:2.65899 Ang E6.OE1 and H10.CB other bump:2.585 Ang F3.O and T7.CB T0187 21 :GIGGRNQELALSAAIAL 1gowA 223 :PPGYLSFELSRRAMYNI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.34196 Ang N7.ND2 and L10.CG other bump:3.06962 Ang N7.CG and L10.CG other bump:2.25843 Ang N7.ND2 and L10.CB other bump:2.26798 Ang N7.ND2 and L10.N T0187 43 :VILCSAGTDGTDGP 1gowA 240 :IQAHARAYDGIKSV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.43878 Ang G14.N and P15.CD neighbor-bump: 2.15719 Ang G14.CA and P15.CD neighbor-bump: 1.73352 Ang G14.C and P15.CD other bump:2.47244 Ang G11.O and P15.CD self-bump: 1.31458 Ang P15.N and P15.CD neighbor-bump: 2.76528 Ang G14.C and P15.CG self-bump: 2.18122 Ang P15.N and P15.CG T0187 57 :TDAAGGIVDGSTAKTLKAMGEDPYQYLKNNDSYNALKKS 1gowA 255 :KKPVGIIYANSSFQPLTDKDMEAVEMAENDNRWWFFDAI Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues self-bump: 1.37198 Ang K39.CA and K39.CB other bump:1.82058 Ang Y25.CZ and K29.NZ other bump:0.652734 Ang Y25.OH and K29.NZ other bump:2.85897 Ang Y25.CE2 and K29.NZ other bump:2.62927 Ang Y25.CE1 and K29.NZ other bump:0.777753 Ang Y25.CZ and K29.CE other bump:1.26889 Ang Y25.OH and K29.CE other bump:1.71339 Ang Y25.CE2 and K29.CE other bump:2.78386 Ang Y25.CD1 and K29.CE other bump:1.73183 Ang Y25.CE1 and K29.CE other bump:2.7591 Ang Y25.CD2 and K29.CE other bump:2.10305 Ang Y25.CZ and K29.CD other bump:2.35387 Ang Y25.OH and K29.CD other bump:2.01345 Ang Y25.CE2 and K29.CD other bump:2.95319 Ang Y25.CD2 and K29.CD other bump:2.71376 Ang D23.CG and Y27.CE1 other bump:2.4617 Ang D23.OD1 and Y27.CE1 other bump:2.46485 Ang D23.OD2 and Y27.CE1 other bump:3.02688 Ang D23.OD2 and Y27.CD1 other bump:2.86191 Ang A14.CA and Y25.CE1 other bump:2.52218 Ang A14.CB and Y25.CE1 other bump:1.99551 Ang A14.O and Y25.CE1 other bump:2.72716 Ang A14.C and Y25.CE1 other bump:2.56231 Ang A14.CB and Y25.CD1 other bump:2.01162 Ang A14.O and Y25.CD1 other bump:2.68429 Ang A14.C and Y25.CD1 other bump:2.31442 Ang G21.O and P24.CD other bump:2.77545 Ang G21.C and P24.CD other bump:3.1986 Ang T16.CG2 and G21.C Number of specific fragments= 4 total=940 Number of alignments=238 # Reading fragments from alignment file # T0187 read from T0187-1gowA-local-adpstyle5.pw.a2m.gz # 1gowA read from T0187-1gowA-local-adpstyle5.pw.a2m.gz # found chain 1gowA in template set T0187 8 :IFGGETVVHVKGN 1gowA 209 :VVGGLGYVGVKSG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.39685 Ang E6.OE2 and H10.ND1 other bump:2.65899 Ang E6.OE1 and H10.CB other bump:2.585 Ang F3.O and T7.CB T0187 21 :GIGGRNQELALSAAIAL 1gowA 223 :PPGYLSFELSRRAMYNI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.34196 Ang N7.ND2 and L10.CG other bump:3.06962 Ang N7.CG and L10.CG other bump:2.25843 Ang N7.ND2 and L10.CB other bump:2.26798 Ang N7.ND2 and L10.N T0187 43 :VILCSAGTDGTDGP 1gowA 240 :IQAHARAYDGIKSV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.43878 Ang G14.N and P15.CD neighbor-bump: 2.15719 Ang G14.CA and P15.CD neighbor-bump: 1.73352 Ang G14.C and P15.CD other bump:2.47244 Ang G11.O and P15.CD self-bump: 1.31458 Ang P15.N and P15.CD neighbor-bump: 2.76528 Ang G14.C and P15.CG self-bump: 2.18122 Ang P15.N and P15.CG T0187 57 :TDAAGGIVDGSTAKTLKAMGEDPYQYLKNNDSYNALKKSG 1gowA 255 :KKPVGIIYANSSFQPLTDKDMEAVEMAENDNRWWFFDAII Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues self-bump: 1.37198 Ang K39.CA and K39.CB other bump:1.82058 Ang Y25.CZ and K29.NZ other bump:0.652734 Ang Y25.OH and K29.NZ other bump:2.85897 Ang Y25.CE2 and K29.NZ other bump:2.62927 Ang Y25.CE1 and K29.NZ other bump:0.777753 Ang Y25.CZ and K29.CE other bump:1.26889 Ang Y25.OH and K29.CE other bump:1.71339 Ang Y25.CE2 and K29.CE other bump:2.78386 Ang Y25.CD1 and K29.CE other bump:1.73183 Ang Y25.CE1 and K29.CE other bump:2.7591 Ang Y25.CD2 and K29.CE other bump:2.10305 Ang Y25.CZ and K29.CD other bump:2.35387 Ang Y25.OH and K29.CD other bump:2.01345 Ang Y25.CE2 and K29.CD other bump:2.95319 Ang Y25.CD2 and K29.CD other bump:2.71376 Ang D23.CG and Y27.CE1 other bump:2.4617 Ang D23.OD1 and Y27.CE1 other bump:2.46485 Ang D23.OD2 and Y27.CE1 other bump:3.02688 Ang D23.OD2 and Y27.CD1 other bump:2.86191 Ang A14.CA and Y25.CE1 other bump:2.52218 Ang A14.CB and Y25.CE1 other bump:1.99551 Ang A14.O and Y25.CE1 other bump:2.72716 Ang A14.C and Y25.CE1 other bump:2.56231 Ang A14.CB and Y25.CD1 other bump:2.01162 Ang A14.O and Y25.CD1 other bump:2.68429 Ang A14.C and Y25.CD1 other bump:2.31442 Ang G21.O and P24.CD other bump:2.77545 Ang G21.C and P24.CD other bump:3.1986 Ang T16.CG2 and G21.C Number of specific fragments= 4 total=944 Number of alignments=239 # Reading fragments from alignment file # T0187 read from T0187-1gowA-simpleSW-adpstyle1.pw.a2m.gz # 1gowA read from T0187-1gowA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1gowA in template set T0187 78 :DPYQYLKNNDSYNALKKSGALLITGP 1gowA 32 :DWYKWVHDPENMAAGLVSGDLPENGP Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.76342 Ang Y4.OH and I24.CD1 other bump:2.35657 Ang Y13.OH and L22.CD2 other bump:2.47477 Ang L7.CD1 and K18.CE other bump:1.88571 Ang L7.O and Y13.OH other bump:2.13397 Ang L7.O and Y13.CZ other bump:3.25767 Ang L7.C and Y13.CZ other bump:2.4988 Ang L7.O and Y13.CE1 other bump:0.764739 Ang Y4.CE1 and K8.NZ other bump:1.73342 Ang Y4.CD1 and K8.NZ other bump:1.9553 Ang Y4.CZ and K8.NZ other bump:1.87048 Ang Y4.CE1 and K8.CE other bump:2.00034 Ang Y4.CD1 and K8.CE neighbor-bump: 2.62992 Ang D2.N and P3.CD neighbor-bump: 1.75913 Ang D2.OD1 and P3.CD Number of specific fragments= 1 total=945 Number of alignments=240 # Reading fragments from alignment file # T0187 read from T0187-1gowA-simpleSW-adpstyle5.pw.a2m.gz # 1gowA read from T0187-1gowA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1gowA in template set Number of specific fragments= 0 total=945 # Reading fragments from alignment file # T0187 read from T0187-1gowA-vit-adpstyle1.pw.a2m.gz # 1gowA read from T0187-1gowA-vit-adpstyle1.pw.a2m.gz # found chain 1gowA in template set T0187 8 :IFGGETVVHVKGN 1gowA 209 :VVGGLGYVGVKSG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.39685 Ang E6.OE2 and H10.ND1 other bump:2.65899 Ang E6.OE1 and H10.CB other bump:2.585 Ang F3.O and T7.CB T0187 21 :GIGGRNQELALSAAIAL 1gowA 223 :PPGYLSFELSRRAMYNI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.34196 Ang N7.ND2 and L10.CG other bump:3.06962 Ang N7.CG and L10.CG other bump:2.25843 Ang N7.ND2 and L10.CB other bump:2.26798 Ang N7.ND2 and L10.N T0187 43 :VILCSAGTDGTDGP 1gowA 240 :IQAHARAYDGIKSV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.43878 Ang G14.N and P15.CD neighbor-bump: 2.15719 Ang G14.CA and P15.CD neighbor-bump: 1.73352 Ang G14.C and P15.CD other bump:2.47244 Ang G11.O and P15.CD self-bump: 1.31458 Ang P15.N and P15.CD neighbor-bump: 2.76528 Ang G14.C and P15.CG self-bump: 2.18122 Ang P15.N and P15.CG T0187 57 :TDAAGGIVDGSTAKTLKAMGEDPYQYLKNNDSYNALKKS 1gowA 255 :KKPVGIIYANSSFQPLTDKDMEAVEMAENDNRWWFFDAI Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues self-bump: 1.37198 Ang K39.CA and K39.CB other bump:1.82058 Ang Y25.CZ and K29.NZ other bump:0.652734 Ang Y25.OH and K29.NZ other bump:2.85897 Ang Y25.CE2 and K29.NZ other bump:2.62927 Ang Y25.CE1 and K29.NZ other bump:0.777753 Ang Y25.CZ and K29.CE other bump:1.26889 Ang Y25.OH and K29.CE other bump:1.71339 Ang Y25.CE2 and K29.CE other bump:2.78386 Ang Y25.CD1 and K29.CE other bump:1.73183 Ang Y25.CE1 and K29.CE other bump:2.7591 Ang Y25.CD2 and K29.CE other bump:2.10305 Ang Y25.CZ and K29.CD other bump:2.35387 Ang Y25.OH and K29.CD other bump:2.01345 Ang Y25.CE2 and K29.CD other bump:2.95319 Ang Y25.CD2 and K29.CD other bump:2.71376 Ang D23.CG and Y27.CE1 other bump:2.4617 Ang D23.OD1 and Y27.CE1 other bump:2.46485 Ang D23.OD2 and Y27.CE1 other bump:3.02688 Ang D23.OD2 and Y27.CD1 other bump:2.86191 Ang A14.CA and Y25.CE1 other bump:2.52218 Ang A14.CB and Y25.CE1 other bump:1.99551 Ang A14.O and Y25.CE1 other bump:2.72716 Ang A14.C and Y25.CE1 other bump:2.56231 Ang A14.CB and Y25.CD1 other bump:2.01162 Ang A14.O and Y25.CD1 other bump:2.68429 Ang A14.C and Y25.CD1 other bump:2.31442 Ang G21.O and P24.CD other bump:2.77545 Ang G21.C and P24.CD other bump:3.1986 Ang T16.CG2 and G21.C Number of specific fragments= 4 total=949 Number of alignments=241 # Reading fragments from alignment file # T0187 read from T0187-1gowA-vit-adpstyle5.pw.a2m.gz # 1gowA read from T0187-1gowA-vit-adpstyle5.pw.a2m.gz # found chain 1gowA in template set T0187 8 :IFGGETVVHVKGN 1gowA 209 :VVGGLGYVGVKSG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.39685 Ang E6.OE2 and H10.ND1 other bump:2.65899 Ang E6.OE1 and H10.CB other bump:2.585 Ang F3.O and T7.CB T0187 21 :GIGGRNQELALSAAIAL 1gowA 223 :PPGYLSFELSRRAMYNI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.34196 Ang N7.ND2 and L10.CG other bump:3.06962 Ang N7.CG and L10.CG other bump:2.25843 Ang N7.ND2 and L10.CB other bump:2.26798 Ang N7.ND2 and L10.N T0187 43 :VILCSAGTDGTDGP 1gowA 240 :IQAHARAYDGIKSV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.43878 Ang G14.N and P15.CD neighbor-bump: 2.15719 Ang G14.CA and P15.CD neighbor-bump: 1.73352 Ang G14.C and P15.CD other bump:2.47244 Ang G11.O and P15.CD self-bump: 1.31458 Ang P15.N and P15.CD neighbor-bump: 2.76528 Ang G14.C and P15.CG self-bump: 2.18122 Ang P15.N and P15.CG T0187 57 :TDAAGGIVDGSTAKTLKAMGEDPYQYLKNNDSYNALKKSG 1gowA 255 :KKPVGIIYANSSFQPLTDKDMEAVEMAENDNRWWFFDAII Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues self-bump: 1.37198 Ang K39.CA and K39.CB other bump:1.82058 Ang Y25.CZ and K29.NZ other bump:0.652734 Ang Y25.OH and K29.NZ other bump:2.85897 Ang Y25.CE2 and K29.NZ other bump:2.62927 Ang Y25.CE1 and K29.NZ other bump:0.777753 Ang Y25.CZ and K29.CE other bump:1.26889 Ang Y25.OH and K29.CE other bump:1.71339 Ang Y25.CE2 and K29.CE other bump:2.78386 Ang Y25.CD1 and K29.CE other bump:1.73183 Ang Y25.CE1 and K29.CE other bump:2.7591 Ang Y25.CD2 and K29.CE other bump:2.10305 Ang Y25.CZ and K29.CD other bump:2.35387 Ang Y25.OH and K29.CD other bump:2.01345 Ang Y25.CE2 and K29.CD other bump:2.95319 Ang Y25.CD2 and K29.CD other bump:2.71376 Ang D23.CG and Y27.CE1 other bump:2.4617 Ang D23.OD1 and Y27.CE1 other bump:2.46485 Ang D23.OD2 and Y27.CE1 other bump:3.02688 Ang D23.OD2 and Y27.CD1 other bump:2.86191 Ang A14.CA and Y25.CE1 other bump:2.52218 Ang A14.CB and Y25.CE1 other bump:1.99551 Ang A14.O and Y25.CE1 other bump:2.72716 Ang A14.C and Y25.CE1 other bump:2.56231 Ang A14.CB and Y25.CD1 other bump:2.01162 Ang A14.O and Y25.CD1 other bump:2.68429 Ang A14.C and Y25.CD1 other bump:2.31442 Ang G21.O and P24.CD other bump:2.77545 Ang G21.C and P24.CD other bump:3.1986 Ang T16.CG2 and G21.C Number of specific fragments= 4 total=953 Number of alignments=242 # Prefix for input files set to # command:# Prefix for input files set to # command:CPU_time= 54220 msec, elapsed time= 63843.2 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 242 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 243: T0187.rand+T0187-1gowA-simpleSW-adpstyle1.pw.a2m.gz:1gowA at pool[123] 90.181 cost/residue, 310 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 242 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 243: T0187.rand+T0187-1gowA-simpleS...+1jeqB-T0187-vit-adpstyle5.pw.a2m.gz:1jeqB at pool[106] 87.8045 cost/residue, 185 clashes # command:# naming current conformation T0187.try1-al2 # command:# command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 242 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 243: T0187.try1-al2+T0187-1jmxA-local-adpstyle1.pw.a2m.gz:1jmxA at pool[25] 87.5644 cost/residue, 173 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 242 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 243: T0187.try1-al2+T0187-1jmxA-local-adpstyle1.pw.a2m.gz:1jmxA 87.5644 cost/residue, 173 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 242 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 243: T0187.try1-al4+T0187-1jeqB-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz:1jeqB at pool[233] 84.8702 cost/residue, 195 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 242 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 243: T0187.try1-al4+T0187-1jeqB-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz:1jeqB 84.8702 cost/residue, 195 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 242 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 243: T0187.try1-al6+T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1jeqB at pool[44] 84.857 cost/residue, 194 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 242 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 243: T0187.try1-al6+T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1jeqB 84.857 cost/residue, 194 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 242 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 243: T0187.try1-al8+1jeqB-T0187-local-adpstyle1.pw.a2m.gz:1jeqB at pool[193] 84.5004 cost/residue, 211 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 242 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 243: T0187.try1-al8+1jeqB-T0187-local-adpstyle1.pw.a2m.gz:1jeqB 84.5004 cost/residue, 211 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 242 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 243: T0187.try1-al10+T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1jeqB at pool[80] 84.498 cost/residue, 210 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 242 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 243: T0187.try1-al10+T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1jeqB 84.498 cost/residue, 210 clashes # command:# naming current conformation T0187.try1-al12 # command:# command:# CostConform T0187.try1-al12 costs 84.498 T0187.try1-al10+T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1jeqB costs 84.498 T0187.try1-al10 costs 84.5004 T0187.try1-al8+1jeqB-T0187-local-adpstyle1.pw.a2m.gz:1jeqB costs 84.5004 T0187.try1-al8 costs 84.857 T0187.try1-al6+T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1jeqB costs 84.857 T0187.try1-al6 costs 84.8702 T0187.try1-al4+T0187-1jeqB-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz:1jeqB costs 84.8702 T0187.try1-al4 costs 87.5644 T0187.try1-al2+T0187-1jmxA-local-adpstyle1.pw.a2m.gz:1jmxA costs 87.5644 T0187.try1-al2 costs 87.8045 T0187.rand+T0187-1gowA-simpleSW-adpstyle1.pw.a2m.gz:1gowA costs 90.181 T0187.rand costs 100.657 # command:CPU_time= 226890 msec, elapsed time= 236667 msec) # command:# Prefix for input files set to # command:# Reading fragments from alignment file # T0187 read from T0187.t2k.frag # 1e19A.1.1 read from T0187.t2k.frag # adding 1e19A to template set 1e19A:Skipped atom 14, because occupancy 0.5 <= existing 0.500001 Skipped atom 15, because occupancy 0.5 <= existing 0.500001 Skipped atom 16, because occupancy 0.5 <= existing 0.500001 Skipped atom 17, because occupancy 0.5 <= existing 0.500001 Skipped atom 18, because occupancy 0.5 <= existing 0.500001 Skipped atom 284, because occupancy 0.5 <= existing 0.500001 Skipped atom 285, because occupancy 0.5 <= existing 0.500001 Skipped atom 286, because occupancy 0.5 <= existing 0.500001 Skipped atom 287, because occupancy 0.5 <= existing 0.500001 Skipped atom 318, because occupancy 0.4 <= existing 0.600001 Skipped atom 319, because occupancy 0.4 <= existing 0.600001 Skipped atom 320, because occupancy 0.4 <= existing 0.600001 Skipped atom 321, because occupancy 0.4 <= existing 0.600001 Skipped atom 441, because occupancy 0.5 <= existing 0.500001 Skipped atom 442, because occupancy 0.5 <= existing 0.500001 Skipped atom 443, because occupancy 0.5 <= existing 0.500001 Skipped atom 454, because occupancy 0.2 <= existing 0.800001 Skipped atom 455, because occupancy 0.2 <= existing 0.800001 Skipped atom 763, because occupancy 0.5 <= existing 0.500001 Skipped atom 764, because occupancy 0.5 <= existing 0.500001 Skipped atom 765, because occupancy 0.5 <= existing 0.500001 Skipped atom 766, because occupancy 0.5 <= existing 0.500001 Skipped atom 767, because occupancy 0.5 <= existing 0.500001 Skipped atom 875, because occupancy 0.5 <= existing 0.500001 Skipped atom 876, because occupancy 0.5 <= existing 0.500001 Skipped atom 877, because occupancy 0.5 <= existing 0.500001 Skipped atom 878, because occupancy 0.5 <= existing 0.500001 Skipped atom 1391, because occupancy 0.5 <= existing 0.500001 Skipped atom 1392, because occupancy 0.5 <= existing 0.500001 Skipped atom 1393, because occupancy 0.5 <= existing 0.500001 Skipped atom 1394, because occupancy 0.5 <= existing 0.500001 Skipped atom 1395, because occupancy 0.5 <= existing 0.500001 Skipped atom 1453, because occupancy 0.5 <= existing 0.500001 Skipped atom 1454, because occupancy 0.5 <= existing 0.500001 Skipped atom 1455, because occupancy 0.5 <= existing 0.500001 Skipped atom 1456, because occupancy 0.5 <= existing 0.500001 Skipped atom 1457, because occupancy 0.5 <= existing 0.500001 Skipped atom 1671, because occupancy 0.5 <= existing 0.500001 Skipped atom 1672, because occupancy 0.5 <= existing 0.500001 Skipped atom 1673, because occupancy 0.5 <= existing 0.500001 Skipped atom 1674, because occupancy 0.5 <= existing 0.500001 Skipped atom 1675, because occupancy 0.5 <= existing 0.500001 Skipped atom 2159, because occupancy 0.5 <= existing 0.500001 Skipped atom 2160, because occupancy 0.5 <= existing 0.500001 Skipped atom 2161, because occupancy 0.5 <= existing 0.500001 Skipped atom 2162, because occupancy 0.5 <= existing 0.500001 Skipped atom 2350, because occupancy 0.5 <= existing 0.500001 Skipped atom 2351, because occupancy 0.5 <= existing 0.500001 Skipped atom 2352, because occupancy 0.5 <= existing 0.500001 Skipped atom 2353, because occupancy 0.5 <= existing 0.500001 Skipped atom 2354, because occupancy 0.5 <= existing 0.500001 Skipped atom 2412, because occupancy 0.5 <= existing 0.500001 Skipped atom 2413, because occupancy 0.5 <= existing 0.500001 Skipped atom 2414, because occupancy 0.5 <= existing 0.500001 Skipped atom 2415, because occupancy 0.5 <= existing 0.500001 Skipped atom 2416, because occupancy 0.5 <= existing 0.500001 # found chain 1e19A in template set T0187 1 :LKKPAALIF 1e19A 2 :GKRVVIALG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=954 # 1e19A.1.0 read from T0187.t2k.frag # found chain 1e19A in template set T0187 3 :KPAALIF 1e19A 3 :KRVVIAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 1 total=955 # 1gs5A.1.1 read from T0187.t2k.frag # adding 1gs5A to template set 1gs5A:Skipped atom 9, because occupancy 0.4 <= existing 0.400001 Skipped atom 10, because occupancy 0.4 <= existing 0.400001 Skipped atom 11, because occupancy 0.4 <= existing 0.400001 Skipped atom 130, because occupancy 0.5 <= existing 0.500001 Skipped atom 131, because occupancy 0.5 <= existing 0.500001 Skipped atom 132, because occupancy 0.5 <= existing 0.500001 Skipped atom 133, because occupancy 0.5 <= existing 0.500001 Skipped atom 134, because occupancy 0.5 <= existing 0.500001 Skipped atom 328, because occupancy 0.5 <= existing 0.500001 Skipped atom 329, because occupancy 0.5 <= existing 0.500001 Skipped atom 330, because occupancy 0.5 <= existing 0.500001 Skipped atom 331, because occupancy 0.5 <= existing 0.500001 Skipped atom 443, because occupancy 0.5 <= existing 0.500001 Skipped atom 444, because occupancy 0.5 <= existing 0.500001 Skipped atom 445, because occupancy 0.5 <= existing 0.500001 Skipped atom 446, because occupancy 0.5 <= existing 0.500001 Skipped atom 748, because occupancy 0.5 <= existing 0.500001 Skipped atom 749, because occupancy 0.5 <= existing 0.500001 Skipped atom 750, because occupancy 0.5 <= existing 0.500001 Skipped atom 751, because occupancy 0.5 <= existing 0.500001 Skipped atom 752, because occupancy 0.5 <= existing 0.500001 Skipped atom 903, because occupancy 0.5 <= existing 0.500001 Skipped atom 904, because occupancy 0.5 <= existing 0.500001 Skipped atom 905, because occupancy 0.5 <= existing 0.500001 Skipped atom 906, because occupancy 0.5 <= existing 0.500001 Skipped atom 907, 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 1365, because occupancy 0.5 <= existing 0.500001 Skipped atom 1366, because occupancy 0.5 <= existing 0.500001 Skipped atom 1367, because occupancy 0.5 <= existing 0.500001 Skipped atom 1368, because occupancy 0.5 <= existing 0.500001 Skipped atom 1542, because occupancy 0.5 <= existing 0.500001 Skipped atom 1543, because occupancy 0.5 <= existing 0.500001 Skipped atom 1544, because occupancy 0.5 <= existing 0.500001 Skipped atom 1545, because occupancy 0.5 <= existing 0.500001 Skipped atom 1576, because occupancy 0.5 <= existing 0.500001 Skipped atom 1577, because occupancy 0.5 <= existing 0.500001 Skipped atom 1578, because occupancy 0.5 <= existing 0.500001 Skipped atom 1579, because occupancy 0.5 <= existing 0.500001 # found chain 1gs5A in template set T0187 1 :LKKPAALIF 1gs5A 2 :MNPLIIKLG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.64884 Ang L7.CD2 and F9.CZ other bump:2.66274 Ang L7.CG and F9.CZ other bump:2.57108 Ang L7.CD1 and F9.CZ other bump:2.18671 Ang L7.CD2 and F9.CE1 other bump:1.91909 Ang L7.CG and F9.CE1 other bump:2.54111 Ang L7.CD1 and F9.CE1 Number of specific fragments= 1 total=956 # 1gs5A.1.0 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 3 :KPAALIF 1gs5A 3 :NPLIIKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 1 total=957 # 1g0rA.1.0 read from T0187.t2k.frag # adding 1g0rA to template set 1g0rA:Skipped atom 72, because occupancy 0.5 <= existing 0.500001 Skipped atom 74, because occupancy 0.5 <= existing 0.500001 Skipped atom 76, because occupancy 0.5 <= existing 0.500001 Skipped atom 78, because occupancy 0.5 <= existing 0.500001 Skipped atom 80, because occupancy 0.5 <= existing 0.500001 Skipped atom 82, because occupancy 0.5 <= existing 0.500001 Skipped atom 862, because occupancy 0.3 <= existing 0.700001 Skipped atom 864, because occupancy 0.3 <= existing 0.700001 Skipped atom 866, because occupancy 0.3 <= existing 0.700001 Skipped atom 868, because occupancy 0.3 <= existing 0.700001 Skipped atom 870, because occupancy 0.3 <= existing 0.700001 Skipped atom 872, because occupancy 0.3 <= existing 0.700001 Skipped atom 874, because occupancy 0.3 <= existing 0.700001 Skipped atom 876, because occupancy 0.3 <= existing 0.700001 Skipped atom 878, because occupancy 0.3 <= existing 0.700001 Skipped atom 880, because occupancy 0.3 <= existing 0.700001 Skipped atom 882, because occupancy 0.3 <= existing 0.700001 Skipped atom 884, because occupancy 0.3 <= existing 0.700001 Skipped atom 1844, because occupancy 0.3 <= existing 0.700001 Skipped atom 1846, because occupancy 0.3 <= existing 0.700001 Skipped atom 1848, because occupancy 0.3 <= existing 0.700001 Skipped atom 1850, because occupancy 0.3 <= existing 0.700001 Skipped atom 1852, because occupancy 0.3 <= existing 0.700001 Skipped atom 1854, because occupancy 0.3 <= existing 0.700001 Skipped atom 1856, because occupancy 0.3 <= existing 0.700001 Skipped atom 1858, because occupancy 0.3 <= existing 0.700001 Skipped atom 1860, because occupancy 0.3 <= existing 0.700001 Skipped atom 1971, because occupancy 0.3 <= existing 0.700001 Skipped atom 1973, because occupancy 0.3 <= existing 0.700001 Skipped atom 1975, because occupancy 0.3 <= existing 0.700001 Skipped atom 1977, because occupancy 0.3 <= existing 0.700001 Skipped atom 1979, because occupancy 0.3 <= existing 0.700001 Skipped atom 1981, because occupancy 0.3 <= existing 0.700001 Skipped atom 2033, because occupancy 0.5 <= existing 0.500001 Skipped atom 2035, because occupancy 0.5 <= existing 0.500001 Skipped atom 2037, because occupancy 0.5 <= existing 0.500001 Skipped atom 2039, because occupancy 0.5 <= existing 0.500001 Skipped atom 2041, because occupancy 0.5 <= existing 0.500001 Skipped atom 2043, because occupancy 0.5 <= existing 0.500001 Skipped atom 2045, because occupancy 0.5 <= existing 0.500001 Skipped atom 2047, because occupancy 0.5 <= existing 0.500001 Skipped atom 2049, because occupancy 0.5 <= existing 0.500001 Skipped atom 2051, because occupancy 0.5 <= existing 0.500001 Skipped atom 2053, because occupancy 0.5 <= existing 0.500001 Skipped atom 2055, because occupancy 0.3 <= existing 0.700001 Skipped atom 2057, because occupancy 0.3 <= existing 0.700001 Skipped atom 2059, because occupancy 0.3 <= existing 0.700001 Skipped atom 2061, because occupancy 0.3 <= existing 0.700001 Skipped atom 2063, because occupancy 0.3 <= existing 0.700001 Skipped atom 2065, because occupancy 0.3 <= existing 0.700001 Skipped atom 2067, because occupancy 0.3 <= existing 0.700001 Skipped atom 2069, because occupancy 0.3 <= existing 0.700001 Skipped atom 2071, because occupancy 0.3 <= existing 0.700001 # found chain 1g0rA in template set T0187 3 :KPAALIF 1g0rA 3 :RKGIILA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.66605 Ang L6.CB and F8.CZ other bump:2.75054 Ang L6.CD1 and F8.CZ other bump:1.89479 Ang L6.CB and F8.CE2 other bump:2.76464 Ang L6.CG and F8.CE2 other bump:2.64978 Ang L6.CD1 and F8.CE2 other bump:3.07643 Ang L6.CA and F8.CE2 other bump:2.81442 Ang L6.CB and F8.CD2 Number of specific fragments= 1 total=958 # 1g0rA.1.1 read from T0187.t2k.frag # found chain 1g0rA in template set T0187 1 :LKKPAALIF 1g0rA 2 :KRKGIILAG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.99104 Ang F9.CD2 and G10.CA neighbor-bump: 2.40572 Ang F9.CB and G10.N neighbor-bump: 2.5814 Ang F9.CD2 and G10.N other bump:3.00652 Ang L7.CB and F9.CE1 other bump:2.12108 Ang L7.CG and F9.CE1 other bump:2.46144 Ang L7.CD2 and F9.CE1 other bump:2.48358 Ang L7.CG and F9.CD1 other bump:2.73932 Ang A6.CB and I8.CD1 Number of specific fragments= 1 total=959 # 1gs5A.2.2 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 2 :KKPAALIFG 1gs5A 3 :NPLIIKLGG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48329 Ang F9.CD1 and G10.CA neighbor-bump: 2.39582 Ang F9.CG and G10.N neighbor-bump: 1.97184 Ang F9.CD1 and G10.N self-bump: 2.21318 Ang F9.CB and F9.C Number of specific fragments= 1 total=960 # 2dln.2.2 read from T0187.t2k.frag # adding 2dln to template set 2dln:# found chain 2dln in template set T0187 2 :KKPAALIFG 2dln 3 :DKIAVLLGG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.15291 Ang F9.CB and F9.C self-bump: 1.2468 Ang F9.CA and F9.CB neighbor-bump: 2.69049 Ang I8.CG2 and F9.N Number of specific fragments= 1 total=961 # 1iow.2.2 read from T0187.t2k.frag # adding 1iow to template set 1iow:# found chain 1iow in template set T0187 2 :KKPAALIFG 1iow 3 :DKIAVLLGG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.2599 Ang F9.CB and G10.CA neighbor-bump: 1.86692 Ang F9.CB and G10.N self-bump: 1.86642 Ang F9.CB and F9.C Number of specific fragments= 1 total=962 # 1e19A.2.2 read from T0187.t2k.frag # found chain 1e19A in template set T0187 2 :KKPAALIFG 1e19A 3 :KRVVIALGG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.14674 Ang F9.CD2 and G10.CA neighbor-bump: 2.56691 Ang F9.CG and G10.N neighbor-bump: 2.53349 Ang F9.CD2 and G10.N Number of specific fragments= 1 total=963 # 1g0rA.2.1 read from T0187.t2k.frag # found chain 1g0rA in template set T0187 3 :KPAALIFG 1g0rA 3 :RKGIILAG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.27404 Ang L6.CB and F8.CE1 other bump:2.91905 Ang L6.CD1 and F8.CE1 other bump:2.83603 Ang L6.CB and F8.CD1 Number of specific fragments= 1 total=964 # 1g0rA.2.2 read from T0187.t2k.frag # found chain 1g0rA in template set T0187 2 :KKPAALIFG 1g0rA 3 :RKGIILAGG Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.8251 Ang F9.CG and G10.CA neighbor-bump: 2.57978 Ang F9.CE2 and G10.CA neighbor-bump: 2.12948 Ang F9.CD2 and G10.CA neighbor-bump: 2.25517 Ang F9.CB and G10.N neighbor-bump: 1.89877 Ang F9.CG and G10.N neighbor-bump: 2.93979 Ang F9.CE2 and G10.N neighbor-bump: 1.97428 Ang F9.CD2 and G10.N self-bump: 2.1979 Ang F9.CB and F9.C other bump:2.73932 Ang A6.CB and I8.CD1 Number of specific fragments= 1 total=965 # 2dln.3.3 read from T0187.t2k.frag # found chain 2dln in template set T0187 3 :KPAALIFGG 2dln 4 :KIAVLLGGT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.15291 Ang F8.CB and F8.C self-bump: 1.2468 Ang F8.CA and F8.CB neighbor-bump: 2.69049 Ang I7.CG2 and F8.N Number of specific fragments= 1 total=966 # 1iow.3.3 read from T0187.t2k.frag # found chain 1iow in template set T0187 3 :KPAALIFGG 1iow 4 :KIAVLLGGT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.2599 Ang F8.CB and G9.CA neighbor-bump: 1.86692 Ang F8.CB and G9.N self-bump: 1.86642 Ang F8.CB and F8.C Number of specific fragments= 1 total=967 # 1gs5A.3.3 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 3 :KPAALIFGG 1gs5A 4 :PLIIKLGGV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48329 Ang F8.CD1 and G9.CA neighbor-bump: 2.39582 Ang F8.CG and G9.N neighbor-bump: 1.97184 Ang F8.CD1 and G9.N self-bump: 2.21318 Ang F8.CB and F8.C Number of specific fragments= 1 total=968 # 1e19A.3.3 read from T0187.t2k.frag # found chain 1e19A in template set T0187 3 :KPAALIFG 1e19A 4 :RVVIALGG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 3.14674 Ang F8.CD2 and G9.CA neighbor-bump: 2.56691 Ang F8.CG and G9.N neighbor-bump: 2.53349 Ang F8.CD2 and G9.N Number of specific fragments= 1 total=969 # 1qhxA.3.3 read from T0187.t2k.frag # adding 1qhxA to template set 1qhxA:# found chain 1qhxA in template set T0187 3 :KPAALIFGG 1qhxA 4 :RMIILNGGS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.34419 Ang I7.O and F8.CD1 neighbor-bump: 2.75101 Ang I7.C and F8.CD1 neighbor-bump: 2.38618 Ang I7.O and F8.CG neighbor-bump: 2.0872 Ang K2.C and P3.CD neighbor-bump: 2.58829 Ang K2.CB and P3.CD Number of specific fragments= 1 total=970 # 1qhsA.3.3 read from T0187.t2k.frag # adding 1qhsA to template set 1qhsA:# found chain 1qhsA in template set T0187 3 :KPAALIFGG 1qhsA 4 :RMIILNGGS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.53338 Ang I7.O and F8.CD1 neighbor-bump: 2.50825 Ang I7.O and F8.CG neighbor-bump: 1.96559 Ang K2.C and P3.CD neighbor-bump: 2.5002 Ang K2.CB and P3.CD neighbor-bump: 2.75395 Ang K2.C and P3.CG Number of specific fragments= 1 total=971 # 2dln.4.4 read from T0187.t2k.frag # found chain 2dln in template set T0187 4 :PAALIFGGE 2dln 5 :IAVLLGGTS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.15291 Ang F7.CB and F7.C self-bump: 1.2468 Ang F7.CA and F7.CB neighbor-bump: 2.69049 Ang I6.CG2 and F7.N Number of specific fragments= 1 total=972 # 1iow.4.4 read from T0187.t2k.frag # found chain 1iow in template set T0187 4 :PAALIFGGE 1iow 5 :IAVLLGGTS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.2599 Ang F7.CB and G8.CA neighbor-bump: 1.86692 Ang F7.CB and G8.N self-bump: 1.86642 Ang F7.CB and F7.C Number of specific fragments= 1 total=973 # 1qhxA.4.4 read from T0187.t2k.frag # found chain 1qhxA in template set T0187 4 :PAALIFGGE 1qhxA 5 :MIILNGGSS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.34419 Ang I6.O and F7.CD1 neighbor-bump: 2.75101 Ang I6.C and F7.CD1 neighbor-bump: 2.38618 Ang I6.O and F7.CG neighbor-bump: 1.81454 Ang G1.C and P2.CD neighbor-bump: 2.65373 Ang G1.C and P2.CG Number of specific fragments= 1 total=974 # 1qhsA.4.4 read from T0187.t2k.frag # found chain 1qhsA in template set T0187 4 :PAALIFGGE 1qhsA 5 :MIILNGGSS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.53338 Ang I6.O and F7.CD1 neighbor-bump: 2.50825 Ang I6.O and F7.CG neighbor-bump: 1.9055 Ang G1.C and P2.CD neighbor-bump: 2.75346 Ang G1.C and P2.CG Number of specific fragments= 1 total=975 # 1g0rA.4.4 read from T0187.t2k.frag # found chain 1g0rA in template set T0187 4 :PAALIFGGE 1g0rA 5 :GIILAGGSG Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.57978 Ang F7.CE2 and G8.CA neighbor-bump: 2.8251 Ang F7.CG and G8.CA neighbor-bump: 2.12948 Ang F7.CD2 and G8.CA neighbor-bump: 2.93979 Ang F7.CE2 and G8.N neighbor-bump: 2.25517 Ang F7.CB and G8.N neighbor-bump: 1.89877 Ang F7.CG and G8.N neighbor-bump: 1.97428 Ang F7.CD2 and G8.N self-bump: 2.1979 Ang F7.CB and F7.C other bump:2.73932 Ang A4.CB and I6.CD1 Number of specific fragments= 1 total=976 # 1g0rA.4.5 read from T0187.t2k.frag # found chain 1g0rA in template set T0187 4 :PAALIFGGE 1g0rA 6 :IILAGGSGT Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.04597 Ang I6.O and F7.CE1 neighbor-bump: 3.23408 Ang I6.C and F7.CE1 neighbor-bump: 1.14185 Ang I6.O and F7.CD1 neighbor-bump: 2.27991 Ang I6.C and F7.CD1 neighbor-bump: 1.91479 Ang I6.O and F7.CG neighbor-bump: 2.73965 Ang I6.C and F7.CG neighbor-bump: 3.19446 Ang I6.CG1 and F7.CA neighbor-bump: 2.34006 Ang I6.CB and F7.N neighbor-bump: 2.16928 Ang I6.CG1 and F7.N neighbor-bump: 1.89453 Ang G1.C and P2.CD neighbor-bump: 2.78236 Ang G1.C and P2.CG Number of specific fragments= 1 total=977 # 2dln.5.5 read from T0187.t2k.frag # found chain 2dln in template set T0187 5 :AALIFGGET 2dln 6 :AVLLGGTSA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.15291 Ang F6.CB and F6.C self-bump: 1.2468 Ang F6.CA and F6.CB neighbor-bump: 2.69049 Ang I5.CG2 and F6.N Number of specific fragments= 1 total=978 # 1iow.5.5 read from T0187.t2k.frag # found chain 1iow in template set T0187 5 :AALIFGGET 1iow 6 :AVLLGGTSA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.2599 Ang F6.CB and G7.CA neighbor-bump: 1.86692 Ang F6.CB and G7.N self-bump: 1.86642 Ang F6.CB and F6.C Number of specific fragments= 1 total=979 # 1g0rA.5.5 read from T0187.t2k.frag # found chain 1g0rA in template set T0187 5 :AALIFGGET 1g0rA 6 :IILAGGSGT Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.8251 Ang F6.CG and G7.CA neighbor-bump: 2.12948 Ang F6.CD2 and G7.CA neighbor-bump: 2.57978 Ang F6.CE2 and G7.CA neighbor-bump: 2.25517 Ang F6.CB and G7.N neighbor-bump: 1.89877 Ang F6.CG and G7.N neighbor-bump: 1.97428 Ang F6.CD2 and G7.N neighbor-bump: 2.93979 Ang F6.CE2 and G7.N self-bump: 2.1979 Ang F6.CB and F6.C other bump:2.73932 Ang A3.CB and I5.CD1 Number of specific fragments= 1 total=980 # 1fxiA.5.5 read from T0187.t2k.frag # adding 1fxiA to template set 1fxiA:# found chain 1fxiA in template set T0187 5 :AALIFGGET 1fxiA 6 :TLKTPDGDN Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81977 Ang L4.CG and E9.OE2 other bump:3.10394 Ang L4.CD1 and E9.OE2 other bump:1.61691 Ang L4.CD2 and E9.OE2 other bump:2.24489 Ang L4.CD2 and E9.CD other bump:2.33903 Ang L4.CD2 and E9.CG other bump:3.15478 Ang L4.CD2 and E9.CB neighbor-bump: 3.00966 Ang F6.CD1 and G7.CA neighbor-bump: 2.37593 Ang F6.CD1 and G7.N neighbor-bump: 2.66334 Ang I5.C and F6.C neighbor-bump: 2.35121 Ang I5.O and F6.C neighbor-bump: 2.2147 Ang I5.O and F6.O self-bump: 1.31326 Ang F6.CA and F6.CB neighbor-bump: 2.65218 Ang I5.CG2 and F6.N Number of specific fragments= 1 total=981 # 6pfkA.5.5 read from T0187.t2k.frag # adding 6pfkA to template set 6pfkA:Skipped atom 1875, because occupancy 0.5 <= existing 0.500001 Skipped atom 1877, because occupancy 0.5 <= existing 0.500001 Skipped atom 1879, because occupancy 0.5 <= existing 0.500001 Skipped atom 1881, because occupancy 0.5 <= existing 0.500001 Skipped atom 1883, because occupancy 0.5 <= existing 0.500001 Skipped atom 1885, because occupancy 0.5 <= existing 0.500001 # found chain 6pfkA in template set T0187 5 :AALIFGGET 6pfkA 6 :VLTSGGDSP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.80991 Ang F6.CE2 and G7.O neighbor-bump: 2.46161 Ang F6.CD2 and G7.O neighbor-bump: 2.02444 Ang I5.O and F6.CE1 neighbor-bump: 3.14594 Ang I5.C and F6.CE1 neighbor-bump: 0.920145 Ang I5.O and F6.CD1 neighbor-bump: 2.13745 Ang I5.C and F6.CD1 neighbor-bump: 1.69447 Ang I5.O and F6.CG neighbor-bump: 2.62022 Ang I5.C and F6.CG Number of specific fragments= 1 total=982 # 1e58A.5.5 read from T0187.t2k.frag # adding 1e58A to template set 1e58A:Skipped atom 62, because occupancy 0.35 <= existing 0.650001 Skipped atom 63, because occupancy 0.35 <= existing 0.650001 Skipped atom 64, because occupancy 0.35 <= existing 0.650001 Skipped atom 86, because occupancy 0.28 <= existing 0.710001 Skipped atom 87, because occupancy 0.28 <= existing 0.710001 Skipped atom 88, because occupancy 0.28 <= existing 0.710001 Skipped atom 89, because occupancy 0.28 <= existing 0.710001 Skipped atom 90, because occupancy 0.28 <= existing 0.710001 Skipped atom 178, because occupancy 0.5 <= existing 0.500001 Skipped atom 179, because occupancy 0.5 <= existing 0.500001 Skipped atom 180, because occupancy 0.5 <= existing 0.500001 Skipped atom 181, because occupancy 0.5 <= existing 0.500001 Skipped atom 182, because occupancy 0.5 <= existing 0.500001 Skipped atom 312, because occupancy 0.19 <= existing 0.810001 Skipped atom 313, because occupancy 0.19 <= existing 0.810001 Skipped atom 314, because occupancy 0.19 <= existing 0.810001 Skipped atom 315, because occupancy 0.19 <= existing 0.810001 Skipped atom 316, because occupancy 0.19 <= existing 0.810001 Skipped atom 331, because occupancy 0.5 <= existing 0.500001 Skipped atom 332, because occupancy 0.5 <= existing 0.500001 Skipped atom 767, because occupancy 0.38 <= existing 0.620001 Skipped atom 768, because occupancy 0.38 <= existing 0.620001 Skipped atom 769, because occupancy 0.38 <= existing 0.620001 Skipped atom 770, because occupancy 0.38 <= existing 0.620001 Skipped atom 771, because occupancy 0.38 <= existing 0.620001 Skipped atom 772, because occupancy 0.38 <= existing 0.620001 Skipped atom 773, because occupancy 0.38 <= existing 0.620001 Skipped atom 886, because occupancy 0.4 <= existing 0.600001 Skipped atom 887, because occupancy 0.4 <= existing 0.600001 Skipped atom 888, because occupancy 0.4 <= existing 0.600001 Skipped atom 889, because occupancy 0.4 <= existing 0.600001 Skipped atom 899, because occupancy 0.32 <= existing 0.680001 Skipped atom 900, because occupancy 0.32 <= existing 0.680001 Skipped atom 901, because occupancy 0.32 <= existing 0.680001 Skipped atom 902, because occupancy 0.32 <= existing 0.680001 Skipped atom 903, because occupancy 0.32 <= existing 0.680001 Skipped atom 928, because occupancy 0.49 <= existing 0.510001 Skipped atom 929, because occupancy 0.49 <= existing 0.510001 Skipped atom 930, because occupancy 0.49 <= existing 0.510001 Skipped atom 931, because occupancy 0.49 <= existing 0.510001 Skipped atom 1083, because occupancy 0.19 <= existing 0.810001 Skipped atom 1084, because occupancy 0.19 <= existing 0.810001 Skipped atom 1085, because occupancy 0.19 <= existing 0.810001 Skipped atom 1172, because occupancy 0.47 <= existing 0.530001 Skipped atom 1173, because occupancy 0.47 <= existing 0.530001 Skipped atom 1174, because occupancy 0.47 <= existing 0.530001 Skipped atom 1175, because occupancy 0.47 <= existing 0.530001 Skipped atom 1376, because occupancy 0.5 <= existing 0.500001 Skipped atom 1377, because occupancy 0.5 <= existing 0.500001 Skipped atom 1629, because occupancy 0.31 <= existing 0.690001 Skipped atom 1630, because occupancy 0.31 <= existing 0.690001 # found chain 1e58A in template set T0187 5 :AALIFGGET 1e58A 6 :VLVRHGESQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89432 Ang F6.CD1 and E9.OE2 Number of specific fragments= 1 total=983 # 1czpA.6.8 read from T0187.t2k.frag # adding 1czpA to template set 1czpA:Skipped atom 90, because occupancy 0.3 <= existing 0.700001 Skipped atom 92, because occupancy 0.3 <= existing 0.700001 Skipped atom 94, because occupancy 0.3 <= existing 0.700001 Skipped atom 96, because occupancy 0.3 <= existing 0.700001 Skipped atom 98, because occupancy 0.3 <= existing 0.700001 Skipped atom 227, because occupancy 0.47 <= existing 0.530001 Skipped atom 229, because occupancy 0.47 <= existing 0.530001 Skipped atom 231, because occupancy 0.47 <= existing 0.530001 Skipped atom 233, because occupancy 0.47 <= existing 0.530001 Skipped atom 354, because occupancy 0.4 <= existing 0.600001 Skipped atom 356, because occupancy 0.4 <= existing 0.600001 Skipped atom 358, because occupancy 0.4 <= existing 0.600001 Skipped atom 360, because occupancy 0.4 <= existing 0.600001 Skipped atom 362, because occupancy 0.4 <= existing 0.600001 Skipped atom 364, because occupancy 0.4 <= existing 0.600001 Skipped atom 366, because occupancy 0.4 <= existing 0.600001 Skipped atom 368, because occupancy 0.4 <= existing 0.600001 Skipped atom 370, because occupancy 0.4 <= existing 0.600001 Skipped atom 372, because occupancy 0.4 <= existing 0.600001 Skipped atom 374, because occupancy 0.4 <= existing 0.600001 Skipped atom 376, because occupancy 0.4 <= existing 0.600001 Skipped atom 378, because occupancy 0.4 <= existing 0.600001 Skipped atom 380, because occupancy 0.4 <= existing 0.600001 Skipped atom 382, because occupancy 0.4 <= existing 0.600001 Skipped atom 384, because occupancy 0.4 <= existing 0.600001 Skipped atom 386, because occupancy 0.4 <= existing 0.600001 Skipped atom 388, because occupancy 0.4 <= existing 0.600001 Skipped atom 390, because occupancy 0.4 <= existing 0.600001 Skipped atom 392, because occupancy 0.4 <= existing 0.600001 Skipped atom 394, because occupancy 0.4 <= existing 0.600001 Skipped atom 396, because occupancy 0.4 <= existing 0.600001 Skipped atom 398, because occupancy 0.4 <= existing 0.600001 Skipped atom 400, because occupancy 0.4 <= existing 0.600001 Skipped atom 576, because occupancy 0.5 <= existing 0.500001 Skipped atom 578, because occupancy 0.5 <= existing 0.500001 Skipped atom 580, because occupancy 0.5 <= existing 0.500001 Skipped atom 582, because occupancy 0.5 <= existing 0.500001 # found chain 1czpA in template set T0187 6 :ALIFGGETV 1czpA 9 :NEAEGTKHE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=984 # 1qt9A.6.8 read from T0187.t2k.frag # adding 1qt9A to template set 1qt9A:Skipped atom 61, because occupancy 0.27 <= existing 0.730001 Skipped atom 63, because occupancy 0.27 <= existing 0.730001 Skipped atom 65, because occupancy 0.27 <= existing 0.730001 Skipped atom 93, because occupancy 0.41 <= existing 0.590001 Skipped atom 95, because occupancy 0.41 <= existing 0.590001 Skipped atom 97, because occupancy 0.41 <= existing 0.590001 Skipped atom 99, because occupancy 0.41 <= existing 0.590001 Skipped atom 101, because occupancy 0.41 <= existing 0.590001 Skipped atom 214, because occupancy 0.06 <= existing 0.940001 Skipped atom 216, because occupancy 0.06 <= existing 0.940001 Skipped atom 218, because occupancy 0.06 <= existing 0.940001 Skipped atom 220, because occupancy 0.06 <= existing 0.940001 Skipped atom 315, because occupancy 0.4 <= existing 0.600001 Skipped atom 526, because occupancy 0.46 <= existing 0.540001 Skipped atom 528, because occupancy 0.46 <= existing 0.540001 Skipped atom 530, because occupancy 0.46 <= existing 0.540001 Skipped atom 565, because occupancy 0.29 <= existing 0.710001 Skipped atom 567, because occupancy 0.29 <= existing 0.710001 Skipped atom 569, because occupancy 0.29 <= existing 0.710001 Skipped atom 571, because occupancy 0.29 <= existing 0.710001 Skipped atom 573, because occupancy 0.29 <= existing 0.710001 # found chain 1qt9A in template set T0187 6 :ALIFGGETV 1qt9A 9 :NEAEGTKHE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=985 # 1fxiA.6.6 read from T0187.t2k.frag # found chain 1fxiA in template set T0187 6 :ALIFGGETV 1fxiA 7 :LKTPDGDNV Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81977 Ang L3.CG and E8.OE2 other bump:3.10394 Ang L3.CD1 and E8.OE2 other bump:1.61691 Ang L3.CD2 and E8.OE2 other bump:2.24489 Ang L3.CD2 and E8.CD other bump:2.33903 Ang L3.CD2 and E8.CG other bump:3.15478 Ang L3.CD2 and E8.CB neighbor-bump: 3.00966 Ang F5.CD1 and G6.CA neighbor-bump: 2.37593 Ang F5.CD1 and G6.N neighbor-bump: 2.66334 Ang I4.C and F5.C neighbor-bump: 2.35121 Ang I4.O and F5.C neighbor-bump: 2.2147 Ang I4.O and F5.O self-bump: 1.31326 Ang F5.CA and F5.CB neighbor-bump: 2.65218 Ang I4.CG2 and F5.N Number of specific fragments= 1 total=986 # 1frd.6.8 read from T0187.t2k.frag # adding 1frd to template set 1frd:# found chain 1frd in template set T0187 6 :ALIFGGETV 1frd 9 :NKKQDIDTT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.3008 Ang G7.O and E8.CG Number of specific fragments= 1 total=987 # 1lgpA.6.9 read from T0187.t2k.frag # adding 1lgpA to template set 1lgpA:# found chain 1lgpA in template set T0187 6 :ALIFGGETV 1lgpA 22 :LGAEEGEPH Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88511 Ang I4.CD1 and E8.OE2 other bump:3.18737 Ang I4.CG1 and E8.CD other bump:2.73354 Ang I4.CD1 and E8.CG other bump:2.29149 Ang I4.CG1 and E8.CG other bump:1.9342 Ang I4.CD1 and E8.CB other bump:2.12768 Ang I4.CG1 and E8.CB other bump:2.85707 Ang F5.CD2 and G7.CA other bump:3.07658 Ang F5.CG and G7.N other bump:1.94315 Ang F5.CD2 and G7.N other bump:2.62038 Ang F5.CE2 and G7.N neighbor-bump: 2.92863 Ang F5.CD2 and G6.C neighbor-bump: 3.15767 Ang F5.CD2 and G6.CA neighbor-bump: 2.59113 Ang F5.CG and G6.N neighbor-bump: 2.53389 Ang F5.CD2 and G6.N neighbor-bump: 2.15852 Ang A2.O and L3.CB neighbor-bump: 2.51561 Ang A2.C and L3.CB Number of specific fragments= 1 total=988 # 2dln.6.6 read from T0187.t2k.frag # found chain 2dln in template set T0187 6 :ALIFGGETV 2dln 7 :VLLGGTSAE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.15291 Ang F5.CB and F5.C self-bump: 1.2468 Ang F5.CA and F5.CB neighbor-bump: 2.69049 Ang I4.CG2 and F5.N Number of specific fragments= 1 total=989 # 1czpA.7.9 read from T0187.t2k.frag # found chain 1czpA in template set T0187 7 :LIFGGETVV 1czpA 10 :EAEGTKHEI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=990 # 1qt9A.7.9 read from T0187.t2k.frag # found chain 1qt9A in template set T0187 7 :LIFGGETVV 1qt9A 10 :EAEGTKHEI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=991 # 1frd.7.9 read from T0187.t2k.frag # found chain 1frd in template set T0187 7 :LIFGGETVV 1frd 10 :KKQDIDTTI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.3008 Ang G6.O and E7.CG Number of specific fragments= 1 total=992 # 1lgpA.7.10 read from T0187.t2k.frag # found chain 1lgpA in template set T0187 7 :LIFGGETVV 1lgpA 23 :GAEEGEPHV Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88511 Ang I3.CD1 and E7.OE2 other bump:3.18737 Ang I3.CG1 and E7.CD other bump:2.29149 Ang I3.CG1 and E7.CG other bump:2.73354 Ang I3.CD1 and E7.CG other bump:2.12768 Ang I3.CG1 and E7.CB other bump:1.9342 Ang I3.CD1 and E7.CB other bump:2.85707 Ang F4.CD2 and G6.CA other bump:3.07658 Ang F4.CG and G6.N other bump:1.94315 Ang F4.CD2 and G6.N other bump:2.62038 Ang F4.CE2 and G6.N neighbor-bump: 2.92863 Ang F4.CD2 and G5.C neighbor-bump: 3.15767 Ang F4.CD2 and G5.CA neighbor-bump: 2.59113 Ang F4.CG and G5.N neighbor-bump: 2.53389 Ang F4.CD2 and G5.N Number of specific fragments= 1 total=993 # 1fxiA.7.7 read from T0187.t2k.frag # found chain 1fxiA in template set T0187 7 :LIFGGETVV 1fxiA 8 :KTPDGDNVI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.45873 Ang V10.N and V10.CG1 other bump:2.81977 Ang L2.CG and E7.OE2 other bump:3.10393 Ang L2.CD1 and E7.OE2 other bump:1.61691 Ang L2.CD2 and E7.OE2 other bump:2.24489 Ang L2.CD2 and E7.CD other bump:2.33903 Ang L2.CD2 and E7.CG other bump:3.15478 Ang L2.CD2 and E7.CB neighbor-bump: 3.00966 Ang F4.CD1 and G5.CA neighbor-bump: 2.37592 Ang F4.CD1 and G5.N neighbor-bump: 2.66334 Ang I3.C and F4.C neighbor-bump: 2.35121 Ang I3.O and F4.C neighbor-bump: 2.2147 Ang I3.O and F4.O self-bump: 1.31326 Ang F4.CA and F4.CB neighbor-bump: 2.65218 Ang I3.CG2 and F4.N Number of specific fragments= 1 total=994 # 1augA.7.10 read from T0187.t2k.frag # adding 1augA to template set 1augA:# found chain 1augA in template set T0187 7 :LIFGGETVV 1augA 11 :DPFGGETVN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06889 Ang I3.N and V10.CG2 other bump:2.90831 Ang I3.CA and V10.CG2 other bump:3.04059 Ang L2.C and V10.CG2 other bump:2.80522 Ang I3.CG1 and T8.C other bump:2.90786 Ang I3.CG2 and E7.C other bump:2.11938 Ang I3.CG2 and E7.O Number of specific fragments= 1 total=995 # 1frd.8.10 read from T0187.t2k.frag # found chain 1frd in template set T0187 8 :IFGGETVVH 1frd 11 :KQDIDTTIE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.3008 Ang G5.O and E6.CG Number of specific fragments= 1 total=996 # 1czpA.8.10 read from T0187.t2k.frag # found chain 1czpA in template set T0187 8 :IFGGETVVH 1czpA 11 :AEGTKHEIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=997 # 1qt9A.8.10 read from T0187.t2k.frag # found chain 1qt9A in template set T0187 8 :IFGGETVVH 1qt9A 11 :AEGTKHEIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=998 # 1fxiA.8.8 read from T0187.t2k.frag # found chain 1fxiA in template set T0187 8 :IFGGETVVH 1fxiA 9 :TPDGDNVIT Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.45873 Ang V9.N and V9.CG1 neighbor-bump: 3.00966 Ang F3.CD1 and G4.CA neighbor-bump: 2.37592 Ang F3.CD1 and G4.N neighbor-bump: 2.66334 Ang I2.C and F3.C neighbor-bump: 2.35121 Ang I2.O and F3.C neighbor-bump: 2.2147 Ang I2.O and F3.O self-bump: 1.31327 Ang F3.CA and F3.CB Number of specific fragments= 1 total=999 # 1lgpA.8.11 read from T0187.t2k.frag # found chain 1lgpA in template set T0187 8 :IFGGETVVH 1lgpA 24 :AEEGEPHVL Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8851 Ang I2.CD1 and E6.OE2 other bump:3.18736 Ang I2.CG1 and E6.CD other bump:2.73353 Ang I2.CD1 and E6.CG other bump:2.29148 Ang I2.CG1 and E6.CG other bump:1.93419 Ang I2.CD1 and E6.CB other bump:2.12767 Ang I2.CG1 and E6.CB other bump:2.85706 Ang F3.CD2 and G5.CA other bump:3.07658 Ang F3.CG and G5.N other bump:1.94314 Ang F3.CD2 and G5.N other bump:2.62039 Ang F3.CE2 and G5.N neighbor-bump: 2.92862 Ang F3.CD2 and G4.C neighbor-bump: 3.15767 Ang F3.CD2 and G4.CA neighbor-bump: 2.59112 Ang F3.CG and G4.N neighbor-bump: 2.53389 Ang F3.CD2 and G4.N Number of specific fragments= 1 total=1000 # 1augA.8.11 read from T0187.t2k.frag # found chain 1augA in template set T0187 8 :IFGGETVVH 1augA 12 :PFGGETVNP Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90831 Ang I2.CA and V9.CG2 other bump:3.0406 Ang G1.C and V9.CG2 other bump:3.0689 Ang I2.N and V9.CG2 other bump:2.91579 Ang I2.CG1 and T7.C other bump:2.36406 Ang I2.CD1 and T7.C other bump:1.9076 Ang I2.CD1 and T7.O other bump:2.92991 Ang I2.CD1 and T7.CA other bump:2.73183 Ang I2.CG2 and E6.C other bump:2.06556 Ang I2.CG2 and E6.O Number of specific fragments= 1 total=1001 # 1frd.9.11 read from T0187.t2k.frag # found chain 1frd in template set T0187 9 :FGGETVVHV 1frd 12 :QDIDTTIEI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.3008 Ang G4.O and E5.CG Number of specific fragments= 1 total=1002 # 1czpA.9.11 read from T0187.t2k.frag # found chain 1czpA in template set T0187 9 :FGGETVVHV 1czpA 12 :EGTKHEIEV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1003 # 1qt9A.9.11 read from T0187.t2k.frag # found chain 1qt9A in template set T0187 9 :FGGETVVHV 1qt9A 12 :EGTKHEIEV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1004 # 1fxiA.9.9 read from T0187.t2k.frag # found chain 1fxiA in template set T0187 9 :FGGETVVHV 1fxiA 10 :PDGDNVITV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.45873 Ang V8.N and V8.CG1 neighbor-bump: 3.00965 Ang F2.CD1 and G3.CA neighbor-bump: 2.37592 Ang F2.CD1 and G3.N neighbor-bump: 2.66334 Ang G1.C and F2.C neighbor-bump: 2.35121 Ang G1.O and F2.C neighbor-bump: 2.2147 Ang G1.O and F2.O self-bump: 1.31326 Ang F2.CA and F2.CB Number of specific fragments= 1 total=1005 # 1lgpA.9.12 read from T0187.t2k.frag # found chain 1lgpA in template set T0187 9 :FGGETVVHV 1lgpA 25 :EEGEPHVLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1006 # 1frd.9.10 read from T0187.t2k.frag # found chain 1frd in template set T0187 9 :FGGETVVHV 1frd 11 :KQDIDTTIE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.00507 Ang E5.O and T6.OG1 neighbor-bump: 2.64881 Ang E5.C and T6.OG1 Number of specific fragments= 1 total=1007 # 1frd.10.12 read from T0187.t2k.frag # found chain 1frd in template set T0187 10 :GGETVVHVK 1frd 13 :DIDTTIEID Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.3008 Ang G3.O and E4.CG Number of specific fragments= 1 total=1008 # 1czpA.10.12 read from T0187.t2k.frag # found chain 1czpA in template set T0187 10 :GGETVVHVK 1czpA 13 :GTKHEIEVP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1009 # 1qt9A.10.12 read from T0187.t2k.frag # found chain 1qt9A in template set T0187 10 :GGETVVHVK 1qt9A 13 :GTKHEIEVP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1010 # 1fxiA.10.10 read from T0187.t2k.frag # found chain 1fxiA in template set T0187 10 :GGETVVHVK 1fxiA 11 :DGDNVITVP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.45873 Ang V7.N and V7.CG1 Number of specific fragments= 1 total=1011 # 1lgpA.10.13 read from T0187.t2k.frag # found chain 1lgpA in template set T0187 10 :GGETVVHVK 1lgpA 26 :EGEPHVLLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1012 # 1xsoA.10.11 read from T0187.t2k.frag # adding 1xsoA to template set 1xsoA:Skipped atom 34, because occupancy 0.5 <= existing 0.500001 Skipped atom 36, because occupancy 0.5 <= existing 0.500001 Skipped atom 49, because occupancy 0.5 <= existing 0.500001 Skipped atom 51, because occupancy 0.5 <= existing 0.500001 Skipped atom 53, because occupancy 0.5 <= existing 0.500001 Skipped atom 55, because occupancy 0.5 <= existing 0.500001 Skipped atom 203, because occupancy 0.5 <= existing 0.500001 Skipped atom 205, because occupancy 0.5 <= existing 0.500001 Skipped atom 379, because occupancy 0.5 <= existing 0.500001 Skipped atom 381, because occupancy 0.5 <= existing 0.500001 Skipped atom 383, because occupancy 0.5 <= existing 0.500001 Skipped atom 385, because occupancy 0.5 <= existing 0.500001 Skipped atom 439, because occupancy 0.5 <= existing 0.500001 Skipped atom 730, because occupancy 0.5 <= existing 0.500001 Skipped atom 732, because occupancy 0.5 <= existing 0.500001 Skipped atom 1082, because occupancy 0.5 <= existing 0.500001 Skipped atom 1084, because occupancy 0.5 <= existing 0.500001 # found chain 1xsoA in template set T0187 10 :GGETVVHVK 1xsoA 13 :DVKGVVHFE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.52867 Ang E4.O and T5.CG2 Number of specific fragments= 1 total=1013 # 1frd.11.13 read from T0187.t2k.frag # found chain 1frd in template set T0187 11 :GETVVHVKG 1frd 14 :IDTTIEIDE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.3008 Ang G2.O and E3.CG Number of specific fragments= 1 total=1014 # 1czpA.11.13 read from T0187.t2k.frag # found chain 1czpA in template set T0187 11 :GETVVHVKG 1czpA 14 :TKHEIEVPD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1015 # 1qt9A.11.13 read from T0187.t2k.frag # found chain 1qt9A in template set T0187 11 :GETVVHVKG 1qt9A 14 :TKHEIEVPD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1016 # 1fxiA.11.11 read from T0187.t2k.frag # found chain 1fxiA in template set T0187 11 :GETVVHVKG 1fxiA 12 :GDNVITVPD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.45873 Ang V6.N and V6.CG1 Number of specific fragments= 1 total=1017 # 1lgpA.11.14 read from T0187.t2k.frag # found chain 1lgpA in template set T0187 11 :GETVVHVKG 1lgpA 27 :GEPHVLLRK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1018 # 1xsoA.11.12 read from T0187.t2k.frag # found chain 1xsoA in template set T0187 11 :GETVVHVKG 1xsoA 14 :VKGVVHFEQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.52867 Ang E3.O and T4.CG2 Number of specific fragments= 1 total=1019 # 1frd.12.14 read from T0187.t2k.frag # found chain 1frd in template set T0187 12 :ETVVHVKGN 1frd 15 :DTTIEIDEE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.30081 Ang G1.O and E2.CG Number of specific fragments= 1 total=1020 # 1czpA.12.14 read from T0187.t2k.frag # found chain 1czpA in template set T0187 12 :ETVVHVKGN 1czpA 15 :KHEIEVPDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1021 # 1qt9A.12.14 read from T0187.t2k.frag # found chain 1qt9A in template set T0187 12 :ETVVHVKGN 1qt9A 15 :KHEIEVPDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1022 # 1fxiA.12.12 read from T0187.t2k.frag # found chain 1fxiA in template set T0187 12 :ETVVHVKGN 1fxiA 13 :DNVITVPDD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.45873 Ang V5.N and V5.CG1 Number of specific fragments= 1 total=1023 # 1lgpA.12.15 read from T0187.t2k.frag # found chain 1lgpA in template set T0187 12 :ETVVHVKGN 1lgpA 28 :EPHVLLRKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1024 # 1xsoA.12.13 read from T0187.t2k.frag # found chain 1xsoA in template set T0187 12 :ETVVHVKGN 1xsoA 15 :KGVVHFEQQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.52867 Ang E2.O and T3.CG2 Number of specific fragments= 1 total=1025 # 1frd.13.15 read from T0187.t2k.frag # found chain 1frd in template set T0187 13 :TVVHVKGNG 1frd 16 :TTIEIDEET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1026 # 1czpA.13.15 read from T0187.t2k.frag # found chain 1czpA in template set T0187 13 :TVVHVKGNG 1czpA 16 :HEIEVPDDE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1027 # 1qt9A.13.15 read from T0187.t2k.frag # found chain 1qt9A in template set T0187 13 :TVVHVKGNG 1qt9A 16 :HEIEVPDDE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1028 # 1fxiA.13.13 read from T0187.t2k.frag # found chain 1fxiA in template set T0187 13 :TVVHVKGNG 1fxiA 14 :NVITVPDDE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.45873 Ang V4.N and V4.CG1 Number of specific fragments= 1 total=1029 # 1tam.13.16 read from T0187.t2k.frag # adding 1tam to template set 1tam:# found chain 1tam in template set T0187 13 :TVVHVKGNG 1tam 17 :EKIRLRPGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1030 # 1frd.13.16 read from T0187.t2k.frag # found chain 1frd in template set T0187 13 :TVVHVKGNG 1frd 17 :TIEIDEETT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54248 Ang V3.CG1 and H5.NE2 other bump:2.67173 Ang V3.CG1 and H5.CD2 Number of specific fragments= 1 total=1031 # 1frd.14.16 read from T0187.t2k.frag # found chain 1frd in template set T0187 14 :VVHVKGNGI 1frd 17 :TIEIDEETT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1032 # 1czpA.14.16 read from T0187.t2k.frag # found chain 1czpA in template set T0187 14 :VVHVKGNGI 1czpA 17 :EIEVPDDEY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1033 # 1qt9A.14.16 read from T0187.t2k.frag # found chain 1qt9A in template set T0187 14 :VVHVKGNGI 1qt9A 17 :EIEVPDDEY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1034 # 1tam.14.17 read from T0187.t2k.frag # found chain 1tam in template set T0187 14 :VVHVKGNGI 1tam 18 :KIRLRPGGK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.96859 Ang G9.C and I10.CG1 Number of specific fragments= 1 total=1035 # 1xsoA.14.15 read from T0187.t2k.frag # found chain 1xsoA in template set T0187 14 :VVHVKGNGI 1xsoA 17 :VVHFEQQDE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1036 # 1fxiA.14.14 read from T0187.t2k.frag # found chain 1fxiA in template set T0187 14 :VVHVKGNGI 1fxiA 15 :VITVPDDEY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.45873 Ang V3.N and V3.CG1 Number of specific fragments= 1 total=1037 # 1frd.15.17 read from T0187.t2k.frag # found chain 1frd in template set T0187 15 :VHVKGNGIG 1frd 18 :IEIDEETTI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1038 # 1tam.15.18 read from T0187.t2k.frag # found chain 1tam in template set T0187 15 :VHVKGNGIG 1tam 19 :IRLRPGGKK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.08404 Ang G8.C and I9.CG1 Number of specific fragments= 1 total=1039 # 1xsoA.15.16 read from T0187.t2k.frag # found chain 1xsoA in template set T0187 15 :VHVKGNGIG 1xsoA 18 :VHFEQQDEG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1040 # 1bowA.15.15 read from T0187.t2k.frag # adding 1bowA to template set 1bowA:# found chain 1bowA in template set T0187 15 :VHVKGNGIG 1bowA 16 :IQTEAEGIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1041 # 1auoA.15.15 read from T0187.t2k.frag # adding 1auoA to template set 1auoA:# found chain 1auoA in template set T0187 15 :VHVKGNGIG 1auoA 16 :CVIWLHGLG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.0738 Ang I9.CG2 and G10.CA neighbor-bump: 2.04571 Ang I9.CG2 and G10.N self-bump: 1.37181 Ang I9.CA and I9.CB neighbor-bump: 2.95735 Ang G1.C and V2.CG2 Number of specific fragments= 1 total=1042 # 1czpA.15.17 read from T0187.t2k.frag # found chain 1czpA in template set T0187 15 :VHVKGNGIG 1czpA 18 :IEVPDDEYI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1043 # 1frd.16.18 read from T0187.t2k.frag # found chain 1frd in template set T0187 16 :HVKGNGIGG 1frd 19 :EIDEETTIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1044 # 1auoA.16.16 read from T0187.t2k.frag # found chain 1auoA in template set T0187 16 :HVKGNGIGG 1auoA 17 :VIWLHGLGA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.0738 Ang I8.CG2 and G9.CA neighbor-bump: 2.04571 Ang I8.CG2 and G9.N self-bump: 1.37181 Ang I8.CA and I8.CB Number of specific fragments= 1 total=1045 # 1tam.16.19 read from T0187.t2k.frag # found chain 1tam in template set T0187 16 :HVKGNGIGG 1tam 20 :RLRPGGKKK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.08404 Ang G7.C and I8.CG1 Number of specific fragments= 1 total=1046 # 1aurA.16.16 read from T0187.t2k.frag # adding 1aurA to template set 1aurA:# found chain 1aurA in template set T0187 16 :HVKGNGIGG 1aurA 17 :VIWLHGLGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1047 # 1xsoA.16.17 read from T0187.t2k.frag # found chain 1xsoA in template set T0187 16 :HVKGNGIGG 1xsoA 19 :HFEQQDEGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1048 # 1bowA.16.16 read from T0187.t2k.frag # found chain 1bowA in template set T0187 16 :HVKGNGIGG 1bowA 17 :QTEAEGIGP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1049 # 1auoA.17.17 read from T0187.t2k.frag # found chain 1auoA in template set T0187 17 :VKGNGIGGR 1auoA 18 :IWLHGLGAD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.0738 Ang I7.CG2 and G8.CA neighbor-bump: 2.04571 Ang I7.CG2 and G8.N self-bump: 1.37181 Ang I7.CA and I7.CB Number of specific fragments= 1 total=1050 # 1tam.17.20 read from T0187.t2k.frag # found chain 1tam in template set T0187 17 :VKGNGIGGR 1tam 21 :LRPGGKKKY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.08404 Ang G6.C and I7.CG1 Number of specific fragments= 1 total=1051 # 1frd.17.19 read from T0187.t2k.frag # found chain 1frd in template set T0187 17 :VKGNGIGGR 1frd 20 :IDEETTILD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32171 Ang I7.CG2 and R10.NH2 other bump:3.15146 Ang I7.CG1 and R10.CZ other bump:3.03842 Ang I7.CG2 and R10.CZ other bump:3.07991 Ang I7.CG1 and R10.NE other bump:3.13411 Ang I7.CG1 and R10.CG Number of specific fragments= 1 total=1052 # 1aurA.17.17 read from T0187.t2k.frag # found chain 1aurA in template set T0187 17 :VKGNGIGGR 1aurA 18 :IWLHGLGAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1053 # 1bowA.17.17 read from T0187.t2k.frag # found chain 1bowA in template set T0187 17 :VKGNGIGGR 1bowA 18 :TEAEGIGPE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.58962 Ang V2.CG1 and K3.N Number of specific fragments= 1 total=1054 # 1ayyA.17.21 read from T0187.t2k.frag # adding 1ayyA to template set 1ayyA:# found chain 1ayyA in template set T0187 17 :VKGNGIGGR 1ayyA 22 :WKVLSKGGK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30472 Ang K3.O and I7.CD1 Number of specific fragments= 1 total=1055 # 1ayyA.18.22 read from T0187.t2k.frag # found chain 1ayyA in template set T0187 18 :KGNGIGGRN 1ayyA 23 :KVLSKGGKA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30472 Ang K2.O and I6.CD1 Number of specific fragments= 1 total=1056 # 1tam.18.21 read from T0187.t2k.frag # found chain 1tam in template set T0187 18 :KGNGIGGRN 1tam 22 :RPGGKKKYK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.08404 Ang G5.C and I6.CG1 Number of specific fragments= 1 total=1057 # 1auoA.18.18 read from T0187.t2k.frag # found chain 1auoA in template set T0187 18 :KGNGIGGRN 1auoA 19 :WLHGLGADR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.0738 Ang I6.CG2 and G7.CA neighbor-bump: 2.04571 Ang I6.CG2 and G7.N self-bump: 1.37181 Ang I6.CA and I6.CB Number of specific fragments= 1 total=1058 # 9gafA.18.22 read from T0187.t2k.frag # adding 9gafA to template set 9gafA:# found chain 9gafA in template set T0187 18 :KGNGIGGRN 9gafA 23 :KVLSKGGKA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37902 Ang N10.CA and N10.CB Number of specific fragments= 1 total=1059 # 1aurA.18.18 read from T0187.t2k.frag # found chain 1aurA in template set T0187 18 :KGNGIGGRN 1aurA 19 :WLHGLGADR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1060 # 1bowA.18.18 read from T0187.t2k.frag # found chain 1bowA in template set T0187 18 :KGNGIGGRN 1bowA 19 :EAEGIGPEN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1061 # 1ayyA.19.23 read from T0187.t2k.frag # found chain 1ayyA in template set T0187 19 :GNGIGGRNQ 1ayyA 24 :VLSKGGKAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30472 Ang G1.O and I5.CD1 Number of specific fragments= 1 total=1062 # 9gafA.19.23 read from T0187.t2k.frag # found chain 9gafA in template set T0187 19 :GNGIGGRNQ 9gafA 24 :VLSKGGKAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37902 Ang N9.CA and N9.CB Number of specific fragments= 1 total=1063 # 1tam.19.22 read from T0187.t2k.frag # found chain 1tam in template set T0187 19 :GNGIGGRNQ 1tam 23 :PGGKKKYKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.08404 Ang G4.C and I5.CG1 Number of specific fragments= 1 total=1064 # 1auoA.19.19 read from T0187.t2k.frag # found chain 1auoA in template set T0187 19 :GNGIGGRNQ 1auoA 20 :LHGLGADRY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.0738 Ang I5.CG2 and G6.CA neighbor-bump: 2.04571 Ang I5.CG2 and G6.N self-bump: 1.37181 Ang I5.CA and I5.CB Number of specific fragments= 1 total=1065 # 1tag.19.24 read from T0187.t2k.frag # found chain 1tag in training set T0187 19 :GNGIGGRNQ 1tag 51 :IIHQDGYSL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.19813 Ang I5.CG2 and G6.N self-bump: 2.41744 Ang I5.CG2 and I5.C self-bump: 1.25946 Ang I5.CA and I5.CB Number of specific fragments= 1 total=1066 # 1aurA.19.19 read from T0187.t2k.frag # found chain 1aurA in template set T0187 19 :GNGIGGRNQ 1aurA 20 :LHGLGADRY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1067 # 1ayyA.20.24 read from T0187.t2k.frag # found chain 1ayyA in template set T0187 20 :NGIGGRNQE 1ayyA 25 :LSKGGKALD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1068 # 9gafA.20.24 read from T0187.t2k.frag # found chain 9gafA in template set T0187 20 :NGIGGRNQE 9gafA 25 :LSKGGKALD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37902 Ang N8.CA and N8.CB Number of specific fragments= 1 total=1069 # 1tam.20.23 read from T0187.t2k.frag # found chain 1tam in template set T0187 20 :NGIGGRNQE 1tam 24 :GGKKKYKLK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.08404 Ang G3.C and I4.CG1 Number of specific fragments= 1 total=1070 # 1tag.20.25 read from T0187.t2k.frag # found chain 1tag in training set T0187 20 :NGIGGRNQE 1tag 52 :IHQDGYSLE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.19813 Ang I4.CG2 and G5.N self-bump: 2.41744 Ang I4.CG2 and I4.C self-bump: 1.25946 Ang I4.CA and I4.CB Number of specific fragments= 1 total=1071 # 1tadA.20.25 read from T0187.t2k.frag # adding 1tadA to template set 1tadA:# found chain 1tadA in template set T0187 20 :NGIGGRNQE 1tadA 52 :IHQDGYSLE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.19461 Ang I4.CG2 and G5.N self-bump: 2.42519 Ang I4.CG2 and I4.C self-bump: 1.29943 Ang I4.CA and I4.CB Number of specific fragments= 1 total=1072 # 1hiwA.20.24 read from T0187.t2k.frag # adding 1hiwA to template set 1hiwA:# found chain 1hiwA in template set T0187 20 :NGIGGRNQE 1hiwA 24 :GGKKQYKLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1073 # 1ayyA.21.25 read from T0187.t2k.frag # found chain 1ayyA in template set T0187 21 :GIGGRNQEL 1ayyA 26 :SKGGKALDA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1074 # 9gafA.21.25 read from T0187.t2k.frag # found chain 9gafA in template set T0187 21 :GIGGRNQEL 9gafA 26 :SKGGKALDA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37902 Ang N7.CA and N7.CB Number of specific fragments= 1 total=1075 # 1tag.21.26 read from T0187.t2k.frag # found chain 1tag in training set T0187 21 :GIGGRNQEL 1tag 53 :HQDGYSLEE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45726 Ang N7.OD1 and L10.CG other bump:2.54176 Ang N7.OD1 and L10.CB neighbor-bump: 2.19813 Ang I3.CG2 and G4.N self-bump: 2.41744 Ang I3.CG2 and I3.C self-bump: 1.25946 Ang I3.CA and I3.CB Number of specific fragments= 1 total=1076 # 1tadA.21.26 read from T0187.t2k.frag # found chain 1tadA in template set T0187 21 :GIGGRNQEL 1tadA 53 :HQDGYSLEE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30011 Ang N7.OD1 and L10.CG other bump:2.44281 Ang N7.OD1 and L10.CB neighbor-bump: 2.19461 Ang I3.CG2 and G4.N self-bump: 2.42519 Ang I3.CG2 and I3.C self-bump: 1.29943 Ang I3.CA and I3.CB Number of specific fragments= 1 total=1077 # 1tam.21.24 read from T0187.t2k.frag # found chain 1tam in template set T0187 21 :GIGGRNQEL 1tam 25 :GKKKYKLKH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.08404 Ang G2.C and I3.CG1 Number of specific fragments= 1 total=1078 # 1f37A.21.23 read from T0187.t2k.frag # adding 1f37A to template set 1f37A:# found chain 1f37A in template set T0187 21 :GIGGRNQEL 1f37A 24 :QRGSREVFQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1079 # 1ayyA.22.26 read from T0187.t2k.frag # found chain 1ayyA in template set T0187 22 :IGGRNQELA 1ayyA 27 :KGGKALDAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1080 # 9gafA.22.26 read from T0187.t2k.frag # found chain 9gafA in template set T0187 22 :IGGRNQELA 9gafA 27 :KGGKALDAV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37902 Ang N6.CA and N6.CB Number of specific fragments= 1 total=1081 # 1tag.22.27 read from T0187.t2k.frag # found chain 1tag in training set T0187 22 :IGGRNQELA 1tag 54 :QDGYSLEEC Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67228 Ang N6.OD1 and L9.CD1 other bump:3.06477 Ang N6.CG and L9.CG other bump:2.24486 Ang N6.OD1 and L9.CG other bump:2.41161 Ang N6.OD1 and L9.CB Number of specific fragments= 1 total=1082 # 1tadA.22.27 read from T0187.t2k.frag # found chain 1tadA in template set T0187 22 :IGGRNQELA 1tadA 54 :QDGYSLEEC Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6269 Ang N6.OD1 and L9.CD1 other bump:3.0076 Ang N6.CG and L9.CG other bump:2.18645 Ang N6.OD1 and L9.CG other bump:2.38219 Ang N6.OD1 and L9.CB other bump:3.06331 Ang I2.CD1 and G4.CA other bump:2.68427 Ang I2.CG1 and G4.N other bump:2.83319 Ang I2.CD1 and G4.N Number of specific fragments= 1 total=1083 # 2dhqA.22.24 read from T0187.t2k.frag # adding 2dhqA to template set 2dhqA: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 316, because occupancy 0.5 <= existing 0.500001 Skipped atom 318, because occupancy 0.5 <= existing 0.500001 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 376, because occupancy 0.5 <= existing 0.500001 Skipped atom 378, because occupancy 0.5 <= existing 0.500001 Skipped atom 380, because occupancy 0.5 <= existing 0.500001 Skipped atom 382, because occupancy 0.5 <= existing 0.500001 Skipped atom 427, because occupancy 0.5 <= existing 0.500001 Skipped atom 429, because occupancy 0.5 <= existing 0.500001 Skipped atom 431, because occupancy 0.5 <= existing 0.500001 Skipped atom 438, because occupancy 0.5 <= existing 0.500001 Skipped atom 440, because occupancy 0.5 <= existing 0.500001 Skipped atom 442, because occupancy 0.5 <= existing 0.500001 Skipped atom 444, because occupancy 0.5 <= existing 0.500001 Skipped atom 446, because occupancy 0.5 <= existing 0.500001 Skipped atom 686, because occupancy 0.5 <= existing 0.500001 Skipped atom 688, because occupancy 0.5 <= existing 0.500001 Skipped atom 690, because occupancy 0.5 <= existing 0.500001 Skipped atom 745, because occupancy 0.5 <= existing 0.500001 Skipped atom 747, because occupancy 0.5 <= existing 0.500001 Skipped atom 831, because occupancy 0.5 <= existing 0.500001 Skipped atom 833, because occupancy 0.5 <= existing 0.500001 Skipped atom 835, because occupancy 0.5 <= existing 0.500001 Skipped atom 837, because occupancy 0.5 <= existing 0.500001 Skipped atom 839, because occupancy 0.5 <= existing 0.500001 Skipped atom 955, because occupancy 0.5 <= existing 0.500001 Skipped atom 957, because occupancy 0.5 <= existing 0.500001 Skipped atom 959, because occupancy 0.5 <= existing 0.500001 Skipped atom 961, because occupancy 0.5 <= existing 0.500001 Skipped atom 1049, because occupancy 0.5 <= existing 0.500001 Skipped atom 1051, because occupancy 0.5 <= existing 0.500001 Skipped atom 1053, because occupancy 0.5 <= existing 0.500001 Skipped atom 1055, because occupancy 0.5 <= existing 0.500001 # found chain 2dhqA in template set T0187 23 :GGRNQELA 2dhqA 26 :GTTHDELV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues self-bump: 1.35899 Ang N5.CA and N5.CB Number of specific fragments= 1 total=1084 # 1f37A.22.24 read from T0187.t2k.frag # found chain 1f37A in template set T0187 22 :IGGRNQELA 1f37A 25 :RGSREVFQA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1085 # 1ayyA.23.27 read from T0187.t2k.frag # found chain 1ayyA in template set T0187 23 :GGRNQELAL 1ayyA 28 :GGKALDAVE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1086 # 1tag.23.28 read from T0187.t2k.frag # found chain 1tag in training set T0187 23 :GGRNQELAL 1tag 55 :DGYSLEECL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67228 Ang N5.OD1 and L8.CD1 other bump:3.06477 Ang N5.CG and L8.CG other bump:2.24486 Ang N5.OD1 and L8.CG other bump:2.41161 Ang N5.OD1 and L8.CB Number of specific fragments= 1 total=1087 # 9gafA.23.27 read from T0187.t2k.frag # found chain 9gafA in template set T0187 23 :GGRNQELAL 9gafA 28 :GGKALDAVE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37902 Ang N5.CA and N5.CB Number of specific fragments= 1 total=1088 # 1tadA.23.28 read from T0187.t2k.frag # found chain 1tadA in template set T0187 23 :GGRNQELAL 1tadA 55 :DGYSLEECL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6269 Ang N5.OD1 and L8.CD1 other bump:2.18645 Ang N5.OD1 and L8.CG other bump:3.0076 Ang N5.CG and L8.CG other bump:2.38219 Ang N5.OD1 and L8.CB Number of specific fragments= 1 total=1089 # 2dhqA.23.25 read from T0187.t2k.frag # found chain 2dhqA in template set T0187 23 :GGRNQELAL 2dhqA 26 :GTTHDELVA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35899 Ang N5.CA and N5.CB Number of specific fragments= 1 total=1090 # 2dhqA.23.24 read from T0187.t2k.frag # found chain 2dhqA in template set T0187 24 :GRNQELAL 2dhqA 26 :GTTHDELV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.22233 Ang R3.NH1 and A8.CB other bump:2.70121 Ang R3.NH1 and A8.CA other bump:2.37225 Ang N4.OD1 and L7.CG other bump:2.3785 Ang N4.OD1 and L7.CB other bump:2.82211 Ang N4.OD1 and L7.CA Number of specific fragments= 1 total=1091 # 1tag.24.29 read from T0187.t2k.frag # found chain 1tag in training set T0187 24 :GRNQELALS 1tag 56 :GYSLEECLE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67228 Ang N4.OD1 and L7.CD1 other bump:3.06477 Ang N4.CG and L7.CG other bump:2.24486 Ang N4.OD1 and L7.CG other bump:2.41161 Ang N4.OD1 and L7.CB Number of specific fragments= 1 total=1092 # 1ayyA.24.28 read from T0187.t2k.frag # found chain 1ayyA in template set T0187 24 :GRNQELALS 1ayyA 29 :GKALDAVEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1093 # 1tadA.24.29 read from T0187.t2k.frag # found chain 1tadA in template set T0187 24 :GRNQELALS 1tadA 56 :GYSLEECLE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6269 Ang N4.OD1 and L7.CD1 other bump:2.18645 Ang N4.OD1 and L7.CG other bump:3.0076 Ang N4.CG and L7.CG other bump:2.38219 Ang N4.OD1 and L7.CB Number of specific fragments= 1 total=1094 # 9gafA.24.28 read from T0187.t2k.frag # found chain 9gafA in template set T0187 24 :GRNQELALS 9gafA 29 :GKALDAVEK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37902 Ang N4.CA and N4.CB Number of specific fragments= 1 total=1095 # 2dhqA.24.25 read from T0187.t2k.frag # found chain 2dhqA in template set T0187 24 :GRNQELALS 2dhqA 26 :GTTHDELVA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.22233 Ang R3.NH1 and A8.CB other bump:2.70121 Ang R3.NH1 and A8.CA other bump:2.37225 Ang N4.OD1 and L7.CG other bump:2.3785 Ang N4.OD1 and L7.CB other bump:2.82211 Ang N4.OD1 and L7.CA Number of specific fragments= 1 total=1096 # 2dhqA.24.26 read from T0187.t2k.frag # found chain 2dhqA in template set T0187 24 :GRNQELALS 2dhqA 27 :TTHDELVAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35899 Ang N4.CA and N4.CB Number of specific fragments= 1 total=1097 # 1tag.25.30 read from T0187.t2k.frag # found chain 1tag in training set T0187 25 :RNQELALSA 1tag 57 :YSLEECLEF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67228 Ang N3.OD1 and L6.CD1 other bump:3.06477 Ang N3.CG and L6.CG other bump:2.24486 Ang N3.OD1 and L6.CG other bump:2.41161 Ang N3.OD1 and L6.CB Number of specific fragments= 1 total=1098 # 1tadA.25.30 read from T0187.t2k.frag # found chain 1tadA in template set T0187 25 :RNQELALSA 1tadA 57 :YSLEECLEF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6269 Ang N3.OD1 and L6.CD1 other bump:3.0076 Ang N3.CG and L6.CG other bump:2.18645 Ang N3.OD1 and L6.CG other bump:2.38219 Ang N3.OD1 and L6.CB Number of specific fragments= 1 total=1099 # 1ayyA.25.29 read from T0187.t2k.frag # found chain 1ayyA in template set T0187 25 :RNQELALSA 1ayyA 30 :KALDAVEKG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1100 # 9gafA.25.29 read from T0187.t2k.frag # found chain 9gafA in template set T0187 25 :RNQELALSA 9gafA 30 :KALDAVEKG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37902 Ang N3.CA and N3.CB Number of specific fragments= 1 total=1101 # 2dhqA.25.26 read from T0187.t2k.frag # found chain 2dhqA in template set T0187 25 :RNQELALSA 2dhqA 27 :TTHDELVAL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.22233 Ang R2.NH1 and A7.CB other bump:2.70121 Ang R2.NH1 and A7.CA other bump:2.37225 Ang N3.OD1 and L6.CG other bump:2.3785 Ang N3.OD1 and L6.CB other bump:2.82211 Ang N3.OD1 and L6.CA Number of specific fragments= 1 total=1102 # 1hw6A.25.26 read from T0187.t2k.frag # adding 1hw6A to template set 1hw6A:# found chain 1hw6A in template set T0187 25 :RNQELALSA 1hw6A 27 :ADTQRAVEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1103 # 1tag.26.31 read from T0187.t2k.frag # found chain 1tag in training set T0187 26 :NQELALSAA 1tag 58 :SLEECLEFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1104 # 1tadA.26.31 read from T0187.t2k.frag # found chain 1tadA in template set T0187 26 :NQELALSAA 1tadA 58 :SLEECLEFI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65832 Ang N2.OD1 and L5.CG Number of specific fragments= 1 total=1105 # 1ayyA.26.30 read from T0187.t2k.frag # found chain 1ayyA in template set T0187 26 :NQELALSAA 1ayyA 31 :ALDAVEKGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1106 # 9gafA.26.30 read from T0187.t2k.frag # found chain 9gafA in template set T0187 26 :NQELALSAA 9gafA 31 :ALDAVEKGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1107 # 1hw6A.26.27 read from T0187.t2k.frag # found chain 1hw6A in template set T0187 26 :NQELALSAA 1hw6A 28 :DTQRAVEEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1108 # 2dhqA.26.27 read from T0187.t2k.frag # found chain 2dhqA in template set T0187 26 :NQELALSAA 2dhqA 28 :THDELVALI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1109 # 1tag.27.32 read from T0187.t2k.frag # found chain 1tag in training set T0187 27 :QELALSAAI 1tag 59 :LEECLEFIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1110 # 1tadA.27.32 read from T0187.t2k.frag # found chain 1tadA in template set T0187 27 :QELALSAAI 1tadA 59 :LEECLEFIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1111 # 1ayyA.27.31 read from T0187.t2k.frag # found chain 1ayyA in template set T0187 27 :QELALSAAI 1ayyA 32 :LDAVEKGVR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.474 Ang L6.O and I10.CD1 Number of specific fragments= 1 total=1112 # 9gafA.27.31 read from T0187.t2k.frag # found chain 9gafA in template set T0187 27 :QELALSAAI 9gafA 32 :LDAVEKGVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1113 # 1hw6A.27.28 read from T0187.t2k.frag # found chain 1hw6A in template set T0187 27 :QELALSAAI 1hw6A 29 :TQRAVEEAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1114 # 1f37A.27.29 read from T0187.t2k.frag # found chain 1f37A in template set T0187 27 :QELALSAAI 1f37A 30 :VFQAFMEKI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1115 # 1tag.28.33 read from T0187.t2k.frag # found chain 1tag in training set T0187 28 :ELALSAAIA 1tag 60 :EECLEFIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1116 # 1tadA.28.33 read from T0187.t2k.frag # found chain 1tadA in template set T0187 28 :ELALSAAIA 1tadA 60 :EECLEFIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1117 # 1ayyA.28.32 read from T0187.t2k.frag # found chain 1ayyA in template set T0187 28 :ELALSAAIA 1ayyA 33 :DAVEKGVRL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47401 Ang L5.O and I9.CD1 Number of specific fragments= 1 total=1118 # 1hw6A.28.29 read from T0187.t2k.frag # found chain 1hw6A in template set T0187 28 :ELALSAAIA 1hw6A 30 :QRAVEEALE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1119 # 9gafA.28.32 read from T0187.t2k.frag # found chain 9gafA in template set T0187 28 :ELALSAAIA 9gafA 33 :DAVEKGVRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1120 # 1f37A.28.30 read from T0187.t2k.frag # found chain 1f37A in template set T0187 28 :ELALSAAIA 1f37A 31 :FQAFMEKIQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1121 # 1tag.29.34 read from T0187.t2k.frag # found chain 1tag in training set T0187 29 :LALSAAIAL 1tag 61 :ECLEFIAII Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1122 # 1tadA.29.34 read from T0187.t2k.frag # found chain 1tadA in template set T0187 29 :LALSAAIAL 1tadA 61 :ECLEFIAII Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1123 # 1ayyA.29.33 read from T0187.t2k.frag # found chain 1ayyA in template set T0187 29 :LALSAAIAL 1ayyA 34 :AVEKGVRLV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47401 Ang L4.O and I8.CD1 Number of specific fragments= 1 total=1124 # 1hw6A.29.30 read from T0187.t2k.frag # found chain 1hw6A in template set T0187 29 :LALSAAIAL 1hw6A 31 :RAVEEALEV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1125 # 1f37A.29.31 read from T0187.t2k.frag # found chain 1f37A in template set T0187 29 :LALSAAIAL 1f37A 32 :QAFMEKIQT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1126 # 1g97A.29.31 read from T0187.t2k.frag # adding 1g97A to template set 1g97A:# found chain 1g97A in template set T0187 29 :LALSAAIAL 1g97A 32 :MLEHVFRSV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1127 # 1tag.30.35 read from T0187.t2k.frag # found chain 1tag in training set T0187 30 :ALSAAIALE 1tag 62 :CLEFIAIIY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1128 # 1tadA.30.35 read from T0187.t2k.frag # found chain 1tadA in template set T0187 30 :ALSAAIALE 1tadA 62 :CLEFIAIIY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1129 # 1hw6A.30.31 read from T0187.t2k.frag # found chain 1hw6A in template set T0187 30 :ALSAAIALE 1hw6A 32 :AVEEALEVG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.88212 Ang L9.O and E10.CG neighbor-bump: 2.69861 Ang L9.C and E10.CG Number of specific fragments= 1 total=1130 # 1f37A.30.32 read from T0187.t2k.frag # found chain 1f37A in template set T0187 30 :ALSAAIALE 1f37A 33 :AFMEKIQTD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63813 Ang A5.O and L9.CD1 Number of specific fragments= 1 total=1131 # 1ayyA.30.34 read from T0187.t2k.frag # found chain 1ayyA in template set T0187 30 :ALSAAIALE 1ayyA 35 :VEKGVRLVE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47401 Ang L3.O and I7.CD1 Number of specific fragments= 1 total=1132 # 1g97A.30.32 read from T0187.t2k.frag # found chain 1g97A in template set T0187 30 :ALSAAIALE 1g97A 33 :LEHVFRSVG Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.65593 Ang I7.O and E10.OE2 other bump:2.54928 Ang I7.CA and E10.OE2 other bump:2.47361 Ang I7.CG2 and E10.OE2 other bump:2.31417 Ang I7.C and E10.OE2 other bump:2.11456 Ang A6.O and E10.OE1 other bump:2.76577 Ang A6.C and E10.OE1 other bump:1.75286 Ang I7.O and E10.OE1 other bump:2.03185 Ang I7.CA and E10.OE1 other bump:1.85051 Ang I7.C and E10.OE1 other bump:1.49283 Ang I7.O and E10.CD other bump:2.57677 Ang I7.CA and E10.CD other bump:2.23755 Ang I7.C and E10.CD Number of specific fragments= 1 total=1133 # 1tag.31.36 read from T0187.t2k.frag # found chain 1tag in training set T0187 31 :LSAAIALEG 1tag 63 :LEFIAIIYG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1134 # 1tadA.31.36 read from T0187.t2k.frag # found chain 1tadA in template set T0187 31 :LSAAIALEG 1tadA 63 :LEFIAIIYG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1135 # 1hw6A.31.32 read from T0187.t2k.frag # found chain 1hw6A in template set T0187 31 :LSAAIALEG 1hw6A 33 :VEEALEVGY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.88212 Ang L8.O and E9.CG neighbor-bump: 2.69861 Ang L8.C and E9.CG Number of specific fragments= 1 total=1136 # 1f37A.31.33 read from T0187.t2k.frag # found chain 1f37A in template set T0187 31 :LSAAIALEG 1f37A 34 :FMEKIQTDP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63813 Ang A4.O and L8.CD1 Number of specific fragments= 1 total=1137 # 1g97A.31.33 read from T0187.t2k.frag # found chain 1g97A in template set T0187 31 :LSAAIALEG 1g97A 34 :EHVFRSVGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1138 # 1auoA.31.31 read from T0187.t2k.frag # found chain 1auoA in template set T0187 31 :LSAAIALEG 1auoA 32 :PVAEALQES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1139 # 1hw6A.32.33 read from T0187.t2k.frag # found chain 1hw6A in template set T0187 32 :SAAIALEGI 1hw6A 34 :EEALEVGYR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.88212 Ang L7.O and E8.CG neighbor-bump: 2.69861 Ang L7.C and E8.CG Number of specific fragments= 1 total=1140 # 1tag.32.37 read from T0187.t2k.frag # found chain 1tag in training set T0187 32 :SAAIALEGI 1tag 64 :EFIAIIYGN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1141 # 1g97A.32.34 read from T0187.t2k.frag # found chain 1g97A in template set T0187 32 :SAAIALEGI 1g97A 35 :HVFRSVGAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1142 # 1tadA.32.37 read from T0187.t2k.frag # found chain 1tadA in template set T0187 32 :SAAIALEGI 1tadA 64 :EFIAIIYGN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1143 # 1auoA.32.32 read from T0187.t2k.frag # found chain 1auoA in template set T0187 32 :SAAIALEGI 1auoA 33 :VAEALQESL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1144 # 1im5A.32.34 read from T0187.t2k.frag # found chain 1im5A in training set T0187 32 :SAAIALEGI 1im5A 35 :EYIRKFKEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1145 # 1hw6A.33.34 read from T0187.t2k.frag # found chain 1hw6A in template set T0187 33 :AAIALEGIE 1hw6A 35 :EALEVGYRH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.69861 Ang L6.C and E7.CG neighbor-bump: 1.88212 Ang L6.O and E7.CG Number of specific fragments= 1 total=1146 # 1g97A.33.35 read from T0187.t2k.frag # found chain 1g97A in template set T0187 33 :AAIALEGIE 1g97A 36 :VFRSVGAIQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1147 # 1h7eA.33.35 read from T0187.t2k.frag # adding 1h7eA to template set 1h7eA:# found chain 1h7eA in template set T0187 33 :AAIALEGIE 1h7eA 36 :RALQVAGVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1148 # 1im5A.33.35 read from T0187.t2k.frag # found chain 1im5A in training set T0187 33 :AAIALEGIE 1im5A 36 :YIRKFKEKG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1149 # 1auoA.33.33 read from T0187.t2k.frag # found chain 1auoA in template set T0187 33 :AAIALEGIE 1auoA 34 :AEALQESLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1150 # 1tag.33.38 read from T0187.t2k.frag # found chain 1tag in training set T0187 33 :AAIALEGIE 1tag 65 :FIAIIYGNT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1151 # 1e19A.34.36 read from T0187.t2k.frag # found chain 1e19A in template set T0187 35 :IALEGIEG 1e19A 38 :AEIIARGY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.51279 Ang A3.O and I7.CD1 Number of specific fragments= 1 total=1152 # 1im5A.34.36 read from T0187.t2k.frag # found chain 1im5A in training set T0187 34 :AIALEGIEG 1im5A 37 :IRKFKEKGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1153 # 1h7eA.34.36 read from T0187.t2k.frag # found chain 1h7eA in template set T0187 34 :AIALEGIEG 1h7eA 37 :ALQVAGVAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1154 # 1g97A.34.36 read from T0187.t2k.frag # found chain 1g97A in template set T0187 34 :AIALEGIEG 1g97A 37 :FRSVGAIQP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1155 # 1hw6A.34.35 read from T0187.t2k.frag # found chain 1hw6A in template set T0187 34 :AIALEGIEG 1hw6A 36 :ALEVGYRHI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.69861 Ang L5.C and E6.CG neighbor-bump: 1.88212 Ang L5.O and E6.CG Number of specific fragments= 1 total=1156 # 1e19A.34.37 read from T0187.t2k.frag # found chain 1e19A in template set T0187 34 :AIALEGIEG 1e19A 38 :AEIIARGYE Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.6623 Ang A4.O and E9.OE1 other bump:2.59607 Ang A4.C and E9.OE1 neighbor-bump: 2.82091 Ang G7.C and I8.CG1 neighbor-bump: 2.08065 Ang G7.O and I8.CB neighbor-bump: 2.46911 Ang G7.C and I8.CB other bump:1.82518 Ang I3.CA and E6.OE2 other bump:2.17091 Ang I3.CB and E6.OE2 other bump:2.86047 Ang I3.CG1 and E6.OE2 other bump:2.32034 Ang I3.C and E6.OE2 other bump:2.04209 Ang I3.CG2 and E6.OE2 other bump:2.32585 Ang I3.O and E6.OE2 other bump:1.64851 Ang A2.O and E6.OE1 other bump:2.12968 Ang A2.C and E6.OE1 other bump:2.29562 Ang I3.N and E6.OE1 other bump:1.7831 Ang I3.CA and E6.OE1 other bump:2.14804 Ang I3.C and E6.OE1 other bump:1.9821 Ang I3.CA and E6.CD other bump:3.03579 Ang I3.CB and E6.CD other bump:2.23987 Ang I3.C and E6.CD other bump:2.08541 Ang I3.O and E6.CD Number of specific fragments= 1 total=1157 # 1e19A.35.37 read from T0187.t2k.frag # found chain 1e19A in template set T0187 35 :IALEGIEGV 1e19A 38 :AEIIARGYE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51279 Ang A3.O and I7.CD1 Number of specific fragments= 1 total=1158 # 1im5A.35.37 read from T0187.t2k.frag # found chain 1im5A in training set T0187 35 :IALEGIEGV 1im5A 38 :RKFKEKGAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1159 # 1a8h.35.35 read from T0187.t2k.frag # adding 1a8h to template set 1a8h:# found chain 1a8h in template set T0187 35 :IALEGIEGV 1a8h 36 :HRLDGYRTF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45786 Ang I2.CG2 and I7.CG1 other bump:2.32977 Ang I2.CG2 and I7.CB Number of specific fragments= 1 total=1160 # 1g97A.35.37 read from T0187.t2k.frag # found chain 1g97A in template set T0187 35 :IALEGIEGV 1g97A 38 :RSVGAIQPE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1161 # 1e19A.35.38 read from T0187.t2k.frag # found chain 1e19A in template set T0187 35 :IALEGIEGV 1e19A 39 :EIIARGYEV Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.6623 Ang A3.O and E8.OE1 other bump:2.59607 Ang A3.C and E8.OE1 neighbor-bump: 2.82091 Ang G6.C and I7.CG1 neighbor-bump: 2.08065 Ang G6.O and I7.CB neighbor-bump: 2.46911 Ang G6.C and I7.CB other bump:1.82518 Ang I2.CA and E5.OE2 other bump:2.17092 Ang I2.CB and E5.OE2 other bump:2.86047 Ang I2.CG1 and E5.OE2 other bump:2.32034 Ang I2.C and E5.OE2 other bump:2.0421 Ang I2.CG2 and E5.OE2 other bump:2.32585 Ang I2.O and E5.OE2 other bump:1.64851 Ang G1.O and E5.OE1 other bump:2.12968 Ang G1.C and E5.OE1 other bump:2.29562 Ang I2.N and E5.OE1 other bump:1.7831 Ang I2.CA and E5.OE1 other bump:2.14804 Ang I2.C and E5.OE1 other bump:1.9821 Ang I2.CA and E5.CD other bump:3.0358 Ang I2.CB and E5.CD other bump:2.23987 Ang I2.C and E5.CD other bump:2.08541 Ang I2.O and E5.CD Number of specific fragments= 1 total=1162 # 1h7eA.35.37 read from T0187.t2k.frag # found chain 1h7eA in template set T0187 35 :IALEGIEGV 1h7eA 38 :LQVAGVAEV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1163 # 1e19A.36.38 read from T0187.t2k.frag # found chain 1e19A in template set T0187 36 :ALEGIEGVI 1e19A 39 :EIIARGYEV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51279 Ang A2.O and I6.CD1 Number of specific fragments= 1 total=1164 # 1im5A.36.38 read from T0187.t2k.frag # found chain 1im5A in training set T0187 36 :ALEGIEGVI 1im5A 39 :KFKEKGALI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1165 # 1a8h.36.36 read from T0187.t2k.frag # found chain 1a8h in template set T0187 36 :ALEGIEGVI 1a8h 37 :RLDGYRTFF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1166 # 1e19A.36.39 read from T0187.t2k.frag # found chain 1e19A in template set T0187 36 :ALEGIEGVI 1e19A 40 :IIARGYEVV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.6623 Ang A2.O and E7.OE1 other bump:2.59607 Ang A2.C and E7.OE1 neighbor-bump: 2.82091 Ang G5.C and I6.CG1 neighbor-bump: 2.08065 Ang G5.O and I6.CB neighbor-bump: 2.46911 Ang G5.C and I6.CB other bump:2.32034 Ang G1.C and E4.OE2 other bump:2.32585 Ang G1.O and E4.OE2 other bump:2.14804 Ang G1.C and E4.OE1 other bump:2.23987 Ang G1.C and E4.CD other bump:2.08541 Ang G1.O and E4.CD Number of specific fragments= 1 total=1167 # 1g97A.36.38 read from T0187.t2k.frag # found chain 1g97A in template set T0187 36 :ALEGIEGVI 1g97A 39 :SVGAIQPEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1168 # 1fxoA.36.43 read from T0187.t2k.frag # adding 1fxoA to template set 1fxoA:Skipped atom 248, because occupancy 0.3 <= existing 0.700001 Skipped atom 250, because occupancy 0.3 <= existing 0.700001 Skipped atom 252, because occupancy 0.3 <= existing 0.700001 Skipped atom 254, because occupancy 0.3 <= existing 0.700001 Skipped atom 256, because occupancy 0.3 <= existing 0.700001 Skipped atom 258, because occupancy 0.3 <= existing 0.700001 Skipped atom 260, because occupancy 0.3 <= existing 0.700001 Skipped atom 262, because occupancy 0.3 <= existing 0.700001 Skipped atom 311, because occupancy 0.3 <= existing 0.700001 Skipped atom 313, because occupancy 0.3 <= existing 0.700001 Skipped atom 315, because occupancy 0.3 <= existing 0.700001 Skipped atom 317, because occupancy 0.3 <= existing 0.700001 Skipped atom 319, because occupancy 0.3 <= existing 0.700001 Skipped atom 321, because occupancy 0.3 <= existing 0.700001 Skipped atom 496, because occupancy 0.3 <= existing 0.700001 Skipped atom 498, because occupancy 0.3 <= existing 0.700001 Skipped atom 500, because occupancy 0.3 <= existing 0.700001 Skipped atom 502, because occupancy 0.3 <= existing 0.700001 Skipped atom 504, because occupancy 0.3 <= existing 0.700001 Skipped atom 506, because occupancy 0.3 <= existing 0.700001 Skipped atom 508, because occupancy 0.3 <= existing 0.700001 Skipped atom 510, because occupancy 0.3 <= existing 0.700001 Skipped atom 512, because occupancy 0.3 <= existing 0.700001 Skipped atom 514, because occupancy 0.5 <= existing 0.500001 Skipped atom 516, because occupancy 0.5 <= existing 0.500001 Skipped atom 518, because occupancy 0.5 <= existing 0.500001 Skipped atom 520, because occupancy 0.5 <= existing 0.500001 Skipped atom 522, because occupancy 0.5 <= existing 0.500001 Skipped atom 524, because occupancy 0.5 <= existing 0.500001 Skipped atom 526, because occupancy 0.5 <= existing 0.500001 Skipped atom 528, because occupancy 0.5 <= existing 0.500001 Skipped atom 530, because occupancy 0.5 <= existing 0.500001 Skipped atom 761, because occupancy 0.3 <= existing 0.700001 Skipped atom 763, because occupancy 0.3 <= existing 0.700001 Skipped atom 765, because occupancy 0.3 <= existing 0.700001 Skipped atom 767, because occupancy 0.3 <= existing 0.700001 Skipped atom 769, because occupancy 0.3 <= existing 0.700001 Skipped atom 771, because occupancy 0.3 <= existing 0.700001 Skipped atom 939, because occupancy 0.3 <= existing 0.700001 Skipped atom 941, because occupancy 0.3 <= existing 0.700001 Skipped atom 943, because occupancy 0.3 <= existing 0.700001 Skipped atom 945, because occupancy 0.3 <= existing 0.700001 Skipped atom 947, because occupancy 0.3 <= existing 0.700001 Skipped atom 949, because occupancy 0.3 <= existing 0.700001 Skipped atom 951, because occupancy 0.3 <= existing 0.700001 Skipped atom 953, because occupancy 0.3 <= existing 0.700001 Skipped atom 955, because occupancy 0.3 <= existing 0.700001 Skipped atom 957, because occupancy 0.3 <= existing 0.700001 Skipped atom 988, because occupancy 0.5 <= existing 0.500001 Skipped atom 990, because occupancy 0.5 <= existing 0.500001 Skipped atom 992, because occupancy 0.5 <= existing 0.500001 Skipped atom 994, because occupancy 0.5 <= existing 0.500001 Skipped atom 996, because occupancy 0.5 <= existing 0.500001 Skipped atom 998, because occupancy 0.5 <= existing 0.500001 Skipped atom 1544, because occupancy 0.3 <= existing 0.700001 Skipped atom 1546, because occupancy 0.3 <= existing 0.700001 Skipped atom 1548, because occupancy 0.3 <= existing 0.700001 Skipped atom 1550, because occupancy 0.3 <= existing 0.700001 Skipped atom 1552, because occupancy 0.3 <= existing 0.700001 Skipped atom 1554, because occupancy 0.3 <= existing 0.700001 Skipped atom 1556, because occupancy 0.3 <= existing 0.700001 Skipped atom 1558, because occupancy 0.3 <= existing 0.700001 Skipped atom 1560, because occupancy 0.3 <= existing 0.700001 Skipped atom 1562, because occupancy 0.3 <= existing 0.700001 Skipped atom 1564, because occupancy 0.3 <= existing 0.700001 Skipped atom 1679, because occupancy 0.5 <= existing 0.500001 Skipped atom 1681, because occupancy 0.5 <= existing 0.500001 Skipped atom 1683, because occupancy 0.5 <= existing 0.500001 Skipped atom 1685, because occupancy 0.5 <= existing 0.500001 Skipped atom 1687, because occupancy 0.5 <= existing 0.500001 Skipped atom 1689, because occupancy 0.5 <= existing 0.500001 Skipped atom 1691, because occupancy 0.5 <= existing 0.500001 Skipped atom 1693, because occupancy 0.5 <= existing 0.500001 Skipped atom 1695, because occupancy 0.5 <= existing 0.500001 Skipped atom 1697, because occupancy 0.5 <= existing 0.500001 Skipped atom 1699, because occupancy 0.5 <= existing 0.500001 Skipped atom 1902, because occupancy 0.3 <= existing 0.700001 Skipped atom 1904, because occupancy 0.3 <= existing 0.700001 Skipped atom 1906, because occupancy 0.3 <= existing 0.700001 Skipped atom 1908, because occupancy 0.3 <= existing 0.700001 Skipped atom 1910, because occupancy 0.3 <= existing 0.700001 Skipped atom 1912, because occupancy 0.3 <= existing 0.700001 Skipped atom 1914, because occupancy 0.3 <= existing 0.700001 Skipped atom 1916, because occupancy 0.3 <= existing 0.700001 Skipped atom 1918, because occupancy 0.3 <= existing 0.700001 Skipped atom 2029, because occupancy 0.5 <= existing 0.500001 Skipped atom 2031, because occupancy 0.5 <= existing 0.500001 Skipped atom 2033, because occupancy 0.5 <= existing 0.500001 Skipped atom 2035, because occupancy 0.5 <= existing 0.500001 Skipped atom 2037, because occupancy 0.5 <= existing 0.500001 Skipped atom 2039, because occupancy 0.5 <= existing 0.500001 # found chain 1fxoA in template set T0187 36 :ALEGIEGVI 1fxoA 44 :MLAGIREIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1169 # 1im5A.37.39 read from T0187.t2k.frag # found chain 1im5A in training set T0187 37 :LEGIEGVIL 1im5A 40 :FKEKGALIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1170 # 1a8h.37.37 read from T0187.t2k.frag # found chain 1a8h in template set T0187 37 :LEGIEGVIL 1a8h 38 :LDGYRTFFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1171 # 1e19A.37.39 read from T0187.t2k.frag # found chain 1e19A in template set T0187 37 :LEGIEGVIL 1e19A 40 :IIARGYEVV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51279 Ang G1.O and I5.CD1 Number of specific fragments= 1 total=1172 # 1fxoA.37.44 read from T0187.t2k.frag # found chain 1fxoA in template set T0187 37 :LEGIEGVIL 1fxoA 45 :LAGIREILI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1173 # 1e19A.37.40 read from T0187.t2k.frag # found chain 1e19A in template set T0187 37 :LEGIEGVIL 1e19A 41 :IARGYEVVI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.6623 Ang G1.O and E6.OE1 other bump:2.59607 Ang G1.C and E6.OE1 neighbor-bump: 2.82091 Ang G4.C and I5.CG1 neighbor-bump: 2.08065 Ang G4.O and I5.CB neighbor-bump: 2.46911 Ang G4.C and I5.CB Number of specific fragments= 1 total=1174 # 1g97A.37.40 read from T0187.t2k.frag # found chain 1g97A in template set T0187 37 :LEGIEGVIL 1g97A 41 :GAIQPEKTV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39553 Ang G1.O and E6.OE2 Number of specific fragments= 1 total=1175 # 1im5A.38.40 read from T0187.t2k.frag # found chain 1im5A in training set T0187 38 :EGIEGVILC 1im5A 41 :KEKGALIVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1176 # 1a8h.38.38 read from T0187.t2k.frag # found chain 1a8h in template set T0187 38 :EGIEGVILC 1a8h 39 :DGYRTFFLT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1177 # 1e19A.38.40 read from T0187.t2k.frag # found chain 1e19A in template set T0187 38 :EGIEGVILC 1e19A 41 :IARGYEVVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1178 # 1g97A.38.41 read from T0187.t2k.frag # found chain 1g97A in template set T0187 38 :EGIEGVILC 1g97A 42 :AIQPEKTVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1179 # 1e19A.38.39 read from T0187.t2k.frag # found chain 1e19A in template set T0187 38 :EGIEGVILC 1e19A 40 :IIARGYEVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1180 # 1srrA.38.44 read from T0187.t2k.frag # adding 1srrA to template set 1srrA:# found chain 1srrA in template set T0187 38 :EGIEGVILC 1srrA 45 :KERPDLVLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1181 # 1im5A.39.41 read from T0187.t2k.frag # found chain 1im5A in training set T0187 39 :GIEGVILCS 1im5A 42 :EKGALIVAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1182 # 1srrA.39.45 read from T0187.t2k.frag # found chain 1srrA in template set T0187 39 :GIEGVILCS 1srrA 46 :ERPDLVLLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1183 # 1e19A.39.40 read from T0187.t2k.frag # found chain 1e19A in template set T0187 39 :GIEGVILCS 1e19A 41 :IARGYEVVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1184 # 1g97A.39.42 read from T0187.t2k.frag # found chain 1g97A in template set T0187 39 :GIEGVILCS 1g97A 43 :IQPEKTVTV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1185 # 1e19A.39.41 read from T0187.t2k.frag # found chain 1e19A in template set T0187 39 :GIEGVILCS 1e19A 42 :ARGYEVVIT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1186 # 2fsp.39.45 read from T0187.t2k.frag # adding 2fsp to template set 2fsp:# found chain 2fsp in template set T0187 39 :GIEGVILCS 2fsp 46 :ERPDLVLLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1187 # 1srrA.40.46 read from T0187.t2k.frag # found chain 1srrA in template set T0187 40 :IEGVILCSA 1srrA 47 :RPDLVLLDM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1188 # 1e19A.40.41 read from T0187.t2k.frag # found chain 1e19A in template set T0187 40 :IEGVILCSA 1e19A 42 :ARGYEVVIT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1189 # 1im5A.40.42 read from T0187.t2k.frag # found chain 1im5A in training set T0187 40 :IEGVILCSA 1im5A 43 :KGALIVATR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1190 # 1g97A.40.43 read from T0187.t2k.frag # found chain 1g97A in template set T0187 40 :IEGVILCSA 1g97A 44 :QPEKTVTVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1191 # 1e19A.40.42 read from T0187.t2k.frag # found chain 1e19A in template set T0187 40 :IEGVILCSA 1e19A 43 :RGYEVVITH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1192 # 1k6dA.40.43 read from T0187.t2k.frag # adding 1k6dA to template set 1k6dA:# found chain 1k6dA in template set T0187 40 :IEGVILCSA 1k6dA 44 :VRDLTLIAN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8126 Ang V5.CG1 and L7.CD2 Number of specific fragments= 1 total=1193 # 1srrA.41.47 read from T0187.t2k.frag # found chain 1srrA in template set T0187 41 :EGVILCSAG 1srrA 48 :PDLVLLDMK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1194 # 1im5A.41.43 read from T0187.t2k.frag # found chain 1im5A in training set T0187 41 :EGVILCSAG 1im5A 44 :GALIVATRD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1195 # 1e19A.41.42 read from T0187.t2k.frag # found chain 1e19A in template set T0187 41 :EGVILCSAG 1e19A 43 :RGYEVVITH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1196 # 1g97A.41.44 read from T0187.t2k.frag # found chain 1g97A in template set T0187 41 :EGVILCSAG 1g97A 45 :PEKTVTVVG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1197 # 1e19A.41.43 read from T0187.t2k.frag # found chain 1e19A in template set T0187 41 :EGVILCSAG 1e19A 44 :GYEVVITHG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1198 # 2fsp.41.47 read from T0187.t2k.frag # found chain 2fsp in template set T0187 41 :EGVILCSAG 2fsp 48 :PDLVLLDMK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1199 # 1srrA.42.48 read from T0187.t2k.frag # found chain 1srrA in template set T0187 42 :GVILCSAGT 1srrA 49 :DLVLLDMKI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1200 # 1im5A.42.44 read from T0187.t2k.frag # found chain 1im5A in training set T0187 42 :GVILCSAGT 1im5A 45 :ALIVATRDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1201 # 2fsp.42.48 read from T0187.t2k.frag # found chain 2fsp in template set T0187 42 :GVILCSAGT 2fsp 49 :DLVLLDMKI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1202 # 1qkkA.42.48 read from T0187.t2k.frag # adding 1qkkA to template set 1qkkA:Skipped atom 606, because occupancy 0.5 <= existing 0.500001 Skipped atom 607, because occupancy 0.5 <= existing 0.500001 Skipped atom 608, because occupancy 0.5 <= existing 0.500001 Skipped atom 609, because occupancy 0.5 <= existing 0.500001 Skipped atom 610, because occupancy 0.5 <= existing 0.500001 Skipped atom 611, because occupancy 0.25 <= existing 0.500001 Skipped atom 612, because occupancy 0.25 <= existing 0.500001 Skipped atom 613, because occupancy 0.25 <= existing 0.500001 Skipped atom 614, because occupancy 0.25 <= existing 0.500001 Skipped atom 615, because occupancy 0.25 <= existing 0.500001 # found chain 1qkkA in template set T0187 42 :GVILCSAGT 1qkkA 50 :GIVISDIRM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.22691 Ang S7.OG and G9.O Number of specific fragments= 1 total=1203 # 1g97A.42.45 read from T0187.t2k.frag # found chain 1g97A in template set T0187 42 :GVILCSAGT 1g97A 46 :EKTVTVVGH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1204 # 1e19A.42.43 read from T0187.t2k.frag # found chain 1e19A in template set T0187 42 :GVILCSAGT 1e19A 44 :GYEVVITHG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1205 # 1srrA.43.49 read from T0187.t2k.frag # found chain 1srrA in template set T0187 43 :VILCSAGTD 1srrA 50 :LVLLDMKIP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1206 # 1im5A.43.45 read from T0187.t2k.frag # found chain 1im5A in training set T0187 43 :VILCSAGTD 1im5A 46 :LIVATRDWH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1207 # 1qkkA.43.49 read from T0187.t2k.frag # found chain 1qkkA in template set T0187 43 :VILCSAGTD 1qkkA 51 :IVISDIRMP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.22691 Ang S6.OG and G8.O Number of specific fragments= 1 total=1208 # 1fxoA.43.50 read from T0187.t2k.frag # found chain 1fxoA in template set T0187 43 :VILCSAGTD 1fxoA 51 :ILIISTPQD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1209 # 2fsp.43.49 read from T0187.t2k.frag # found chain 2fsp in template set T0187 43 :VILCSAGTD 2fsp 50 :LVLLDMKIP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1210 # 1e19A.43.44 read from T0187.t2k.frag # found chain 1e19A in template set T0187 43 :VILCSAGTD 1e19A 45 :YEVVITHGN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09978 Ang V2.CG1 and L4.CD2 Number of specific fragments= 1 total=1211 # 1srrA.44.50 read from T0187.t2k.frag # found chain 1srrA in template set T0187 44 :ILCSAGTDG 1srrA 51 :VLLDMKIPG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.33876 Ang D9.CA and D9.CB Number of specific fragments= 1 total=1212 # 1qkkA.44.50 read from T0187.t2k.frag # found chain 1qkkA in template set T0187 44 :ILCSAGTDG 1qkkA 52 :VISDIRMPG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.22691 Ang S5.OG and G7.O Number of specific fragments= 1 total=1213 # 1e19A.44.45 read from T0187.t2k.frag # found chain 1e19A in template set T0187 44 :ILCSAGTDG 1e19A 46 :EVVITHGNG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1214 # 1im5A.44.46 read from T0187.t2k.frag # found chain 1im5A in training set T0187 44 :ILCSAGTDG 1im5A 47 :IVATRDWHP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1215 # 2fsp.44.50 read from T0187.t2k.frag # found chain 2fsp in template set T0187 44 :ILCSAGTDG 2fsp 51 :VLLDMKIPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1216 # 1g97A.44.47 read from T0187.t2k.frag # found chain 1g97A in template set T0187 44 :ILCSAGTDG 1g97A 48 :TVTVVGHKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1217 # 1srrA.45.51 read from T0187.t2k.frag # found chain 1srrA in template set T0187 45 :LCSAGTDGT 1srrA 52 :LLDMKIPGM Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.04653 Ang T7.CA and T10.CG2 other bump:2.29896 Ang T7.O and T10.CG2 other bump:2.60761 Ang T7.CB and T10.CG2 other bump:2.89997 Ang T7.C and T10.CG2 self-bump: 1.33876 Ang D8.CA and D8.CB Number of specific fragments= 1 total=1218 # 1qkkA.45.51 read from T0187.t2k.frag # found chain 1qkkA in template set T0187 45 :LCSAGTDGT 1qkkA 53 :ISDIRMPGM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86699 Ang T7.OG1 and G11.CA other bump:2.82815 Ang T7.OG1 and T10.C other bump:2.09461 Ang T7.OG1 and T10.O other bump:2.22691 Ang S4.OG and G6.O Number of specific fragments= 1 total=1219 # 1e19A.45.46 read from T0187.t2k.frag # found chain 1e19A in template set T0187 45 :LCSAGTDGT 1e19A 47 :VVITHGNGP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1220 # 2fsp.45.51 read from T0187.t2k.frag # found chain 2fsp in template set T0187 45 :LCSAGTDGT 2fsp 52 :LLDMKIPGM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1221 # 1im5A.45.47 read from T0187.t2k.frag # found chain 1im5A in training set T0187 45 :LCSAGTDGT 1im5A 48 :VATRDWHPE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1222 # 1g97A.45.48 read from T0187.t2k.frag # found chain 1g97A in template set T0187 45 :LCSAGTDGT 1g97A 49 :VTVVGHKAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1223 # 1qkkA.46.52 read from T0187.t2k.frag # found chain 1qkkA in template set T0187 46 :CSAGTDGTD 1qkkA 54 :SDIRMPGMD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86699 Ang T6.OG1 and D10.CA other bump:2.82815 Ang T6.OG1 and T9.C other bump:2.09461 Ang T6.OG1 and T9.O other bump:2.2269 Ang S3.OG and G5.O Number of specific fragments= 1 total=1224 # 1srrA.46.52 read from T0187.t2k.frag # found chain 1srrA in template set T0187 46 :CSAGTDGTD 1srrA 53 :LDMKIPGMD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.33876 Ang D7.CA and D7.CB Number of specific fragments= 1 total=1225 # 2fsp.46.52 read from T0187.t2k.frag # found chain 2fsp in template set T0187 46 :CSAGTDGTD 2fsp 53 :LDMKIPGMD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1226 # 1ntr.46.52 read from T0187.t2k.frag # adding 1ntr to template set 1ntr:# found chain 1ntr in template set T0187 46 :CSAGTDGTD 1ntr 53 :SDIRMPGMD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.14625 Ang T9.CG2 and D10.N self-bump: 1.24215 Ang T9.CA and T9.CB neighbor-bump: 2.00262 Ang T6.OG1 and D7.OD1 Number of specific fragments= 1 total=1227 # 1e19A.46.47 read from T0187.t2k.frag # found chain 1e19A in template set T0187 46 :CSAGTDGTD 1e19A 48 :VITHGNGPQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1228 # 1im5A.46.48 read from T0187.t2k.frag # found chain 1im5A in training set T0187 46 :CSAGTDGTD 1im5A 49 :ATRDWHPEN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1229 # 1qkkA.47.53 read from T0187.t2k.frag # found chain 1qkkA in template set T0187 47 :SAGTDGTDG 1qkkA 55 :DIRMPGMDG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86699 Ang T5.OG1 and D9.CA other bump:2.82815 Ang T5.OG1 and T8.C other bump:2.09461 Ang T5.OG1 and T8.O Number of specific fragments= 1 total=1230 # 1srrA.47.53 read from T0187.t2k.frag # found chain 1srrA in template set T0187 47 :SAGTDGTDG 1srrA 54 :DMKIPGMDG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.33876 Ang D6.CA and D6.CB Number of specific fragments= 1 total=1231 # 2fsp.47.53 read from T0187.t2k.frag # found chain 2fsp in template set T0187 47 :SAGTDGTDG 2fsp 54 :DMKIPGMDG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1232 # 1ntr.47.53 read from T0187.t2k.frag # found chain 1ntr in template set T0187 47 :SAGTDGTDG 1ntr 54 :DIRMPGMDG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.14625 Ang T8.CG2 and D9.N self-bump: 1.24215 Ang T8.CA and T8.CB neighbor-bump: 2.00262 Ang T5.OG1 and D6.OD1 Number of specific fragments= 1 total=1233 # 1e19A.47.48 read from T0187.t2k.frag # found chain 1e19A in template set T0187 47 :SAGTDGTDG 1e19A 49 :ITHGNGPQV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1234 # 1qgoA.47.50 read from T0187.t2k.frag # adding 1qgoA to template set 1qgoA:Skipped atom 763, because occupancy 0.5 <= existing 0.500001 Skipped atom 765, because occupancy 0.5 <= existing 0.500001 Skipped atom 767, because occupancy 0.5 <= existing 0.500001 Skipped atom 769, because occupancy 0.5 <= existing 0.500001 Skipped atom 847, because occupancy 0.5 <= existing 0.500001 Skipped atom 849, because occupancy 0.5 <= existing 0.500001 Skipped atom 851, because occupancy 0.5 <= existing 0.500001 Skipped atom 929, because occupancy 0.5 <= existing 0.500001 Skipped atom 931, because occupancy 0.5 <= existing 0.500001 Skipped atom 933, because occupancy 0.5 <= existing 0.500001 Skipped atom 1248, because occupancy 0.5 <= existing 0.500001 Skipped atom 1250, because occupancy 0.5 <= existing 0.500001 Skipped atom 1252, because occupancy 0.5 <= existing 0.500001 Skipped atom 1464, because occupancy 0.5 <= existing 0.500001 Skipped atom 1466, because occupancy 0.5 <= existing 0.500001 Skipped atom 1468, because occupancy 0.5 <= existing 0.500001 # found chain 1qgoA in template set T0187 47 :SAGTDGTDG 1qgoA 51 :LRQRDGIDI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1235 # 1qkkA.48.54 read from T0187.t2k.frag # found chain 1qkkA in template set T0187 48 :AGTDGTDGP 1qkkA 56 :IRMPGMDGL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69178 Ang D8.OD2 and P10.CD other bump:2.86699 Ang T4.OG1 and D8.CA other bump:2.82815 Ang T4.OG1 and T7.C other bump:2.09461 Ang T4.OG1 and T7.O Number of specific fragments= 1 total=1236 # 1srrA.48.54 read from T0187.t2k.frag # found chain 1srrA in template set T0187 48 :AGTDGTDGP 1srrA 55 :MKIPGMDGI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61151 Ang D8.OD1 and P10.CD neighbor-bump: 2.6026 Ang G9.N and P10.CD self-bump: 1.33876 Ang D5.CA and D5.CB Number of specific fragments= 1 total=1237 # 2fsp.48.54 read from T0187.t2k.frag # found chain 2fsp in template set T0187 48 :AGTDGTDGP 2fsp 55 :MKIPGMDGI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.4107 Ang D8.C and P10.CD neighbor-bump: 2.30475 Ang G9.N and P10.CD other bump:3.00786 Ang D8.CA and P10.CD other bump:2.73626 Ang D8.CB and P10.CD Number of specific fragments= 1 total=1238 # 1ntr.48.54 read from T0187.t2k.frag # found chain 1ntr in template set T0187 48 :AGTDGTDGP 1ntr 55 :IRMPGMDGL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.09509 Ang G9.O and P10.CD neighbor-bump: 1.47747 Ang G9.C and P10.CD neighbor-bump: 2.33844 Ang G9.CA and P10.CD neighbor-bump: 2.83133 Ang G9.C and P10.CG neighbor-bump: 2.14625 Ang T7.CG2 and D8.N self-bump: 1.24215 Ang T7.CA and T7.CB neighbor-bump: 2.00262 Ang T4.OG1 and D5.OD1 Number of specific fragments= 1 total=1239 # 1qgoA.48.51 read from T0187.t2k.frag # found chain 1qgoA in template set T0187 48 :AGTDGTDGP 1qgoA 52 :RQRDGIDID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1240 # 1e19A.48.49 read from T0187.t2k.frag # found chain 1e19A in template set T0187 48 :AGTDGTDGP 1e19A 50 :THGNGPQVG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.50099 Ang G6.O and P10.CD other bump:2.82875 Ang T7.C and P10.CD other bump:3.2517 Ang T7.CA and P10.CD other bump:2.61381 Ang G6.C and P10.CD other bump:1.58696 Ang G6.O and P10.CG other bump:3.19175 Ang T7.CA and P10.CG other bump:2.73342 Ang G6.C and P10.CG Number of specific fragments= 1 total=1241 # 1qkkA.49.55 read from T0187.t2k.frag # found chain 1qkkA in template set T0187 49 :GTDGTDGPT 1qkkA 57 :RMPGMDGLA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69178 Ang D7.OD2 and P9.CD other bump:2.86699 Ang T3.OG1 and D7.CA other bump:2.82815 Ang T3.OG1 and T6.C other bump:2.09461 Ang T3.OG1 and T6.O Number of specific fragments= 1 total=1242 # 1srrA.49.55 read from T0187.t2k.frag # found chain 1srrA in template set T0187 49 :GTDGTDGPT 1srrA 56 :KIPGMDGIE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36616 Ang D7.OD2 and T10.OG1 other bump:2.61151 Ang D7.OD1 and P9.CD neighbor-bump: 2.6026 Ang G8.N and P9.CD self-bump: 1.33876 Ang D4.CA and D4.CB Number of specific fragments= 1 total=1243 # 2fsp.49.55 read from T0187.t2k.frag # found chain 2fsp in template set T0187 49 :GTDGTDGPT 2fsp 56 :KIPGMDGIE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.4107 Ang D7.C and P9.CD neighbor-bump: 2.30475 Ang G8.N and P9.CD other bump:3.00786 Ang D7.CA and P9.CD other bump:2.73626 Ang D7.CB and P9.CD Number of specific fragments= 1 total=1244 # 1ntr.49.55 read from T0187.t2k.frag # found chain 1ntr in template set T0187 49 :GTDGTDGPT 1ntr 56 :RMPGMDGLA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.33844 Ang G8.CA and P9.CD neighbor-bump: 1.47747 Ang G8.C and P9.CD neighbor-bump: 2.09509 Ang G8.O and P9.CD neighbor-bump: 2.83133 Ang G8.C and P9.CG neighbor-bump: 2.14625 Ang T6.CG2 and D7.N self-bump: 1.24215 Ang T6.CA and T6.CB neighbor-bump: 2.00262 Ang T3.OG1 and D4.OD1 Number of specific fragments= 1 total=1245 # 1qgoA.49.52 read from T0187.t2k.frag # found chain 1qgoA in template set T0187 49 :GTDGTDGPT 1qgoA 53 :QRDGIDIDT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1246 # 1prs.49.53 read from T0187.t2k.frag # adding 1prs to template set 1prs:# found chain 1prs in template set T0187 49 :GTDGTDGPT 1prs 54 :QNDGFAGDQ Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.63891 Ang D7.OD1 and G8.CA neighbor-bump: 1.84824 Ang D7.OD1 and G8.N other bump:2.34772 Ang T3.OG1 and D7.C self-bump: 2.43246 Ang D7.OD1 and D7.C other bump:2.09783 Ang T3.OG1 and D7.OD1 other bump:2.92901 Ang T3.CB and D7.CG other bump:1.87075 Ang T3.OG1 and D7.CG other bump:3.07043 Ang T3.CB and D7.CB other bump:1.91953 Ang T3.OG1 and D7.CB other bump:2.97807 Ang T3.OG1 and D7.CA neighbor-bump: 2.21299 Ang G5.O and T6.OG1 neighbor-bump: 2.78875 Ang G5.C and T6.OG1 Number of specific fragments= 1 total=1247 # 1qkkA.50.56 read from T0187.t2k.frag # found chain 1qkkA in template set T0187 50 :TDGTDGPTD 1qkkA 58 :MPGMDGLAL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69178 Ang D6.OD2 and P8.CD other bump:2.16204 Ang T2.OG1 and T5.O Number of specific fragments= 1 total=1248 # 1srrA.50.56 read from T0187.t2k.frag # found chain 1srrA in template set T0187 50 :TDGTDGPTD 1srrA 57 :IPGMDGIEI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36616 Ang D6.OD2 and T9.OG1 other bump:2.61151 Ang D6.OD1 and P8.CD neighbor-bump: 2.6026 Ang G7.N and P8.CD self-bump: 1.33876 Ang D3.CA and D3.CB Number of specific fragments= 1 total=1249 # 2fsp.50.56 read from T0187.t2k.frag # found chain 2fsp in template set T0187 50 :TDGTDGPTD 2fsp 57 :IPGMDGIEI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.30475 Ang G7.N and P8.CD other bump:3.00786 Ang D6.CA and P8.CD other bump:2.73626 Ang D6.CB and P8.CD other bump:2.4107 Ang D6.C and P8.CD Number of specific fragments= 1 total=1250 # 1ntr.50.56 read from T0187.t2k.frag # found chain 1ntr in template set T0187 50 :TDGTDGPTD 1ntr 57 :MPGMDGLAL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.47747 Ang G7.C and P8.CD neighbor-bump: 2.33844 Ang G7.CA and P8.CD neighbor-bump: 2.09509 Ang G7.O and P8.CD neighbor-bump: 2.83133 Ang G7.C and P8.CG neighbor-bump: 2.14625 Ang T5.CG2 and D6.N self-bump: 1.24215 Ang T5.CA and T5.CB neighbor-bump: 2.00902 Ang T2.OG1 and D3.OD1 Number of specific fragments= 1 total=1251 # 1qgoA.50.53 read from T0187.t2k.frag # found chain 1qgoA in template set T0187 50 :TDGTDGPTD 1qgoA 54 :RDGIDIDTP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1252 # 1kgsA.50.55 read from T0187.t2k.frag # found chain 1kgsA in training set T0187 50 :TDGTDGPTD 1kgsA 56 :LPVHDGWEI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.33911 Ang T2.OG1 and T5.O Number of specific fragments= 1 total=1253 # 1qkkA.51.57 read from T0187.t2k.frag # found chain 1qkkA in template set T0187 51 :DGTDGPTDA 1qkkA 59 :PGMDGLALF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69178 Ang D5.OD2 and P7.CD Number of specific fragments= 1 total=1254 # 1srrA.51.57 read from T0187.t2k.frag # found chain 1srrA in template set T0187 51 :DGTDGPTDA 1srrA 58 :PGMDGIEIL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36616 Ang D5.OD2 and T8.OG1 other bump:2.61151 Ang D5.OD1 and P7.CD neighbor-bump: 2.6026 Ang G6.N and P7.CD self-bump: 1.33876 Ang D2.CA and D2.CB Number of specific fragments= 1 total=1255 # 2fsp.51.57 read from T0187.t2k.frag # found chain 2fsp in template set T0187 51 :DGTDGPTDA 2fsp 58 :PGMDGIEIL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.30475 Ang G6.N and P7.CD other bump:2.4107 Ang D5.C and P7.CD other bump:3.00786 Ang D5.CA and P7.CD other bump:2.73626 Ang D5.CB and P7.CD Number of specific fragments= 1 total=1256 # 1ntr.51.57 read from T0187.t2k.frag # found chain 1ntr in template set T0187 51 :DGTDGPTDA 1ntr 58 :PGMDGLALL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.09509 Ang G6.O and P7.CD neighbor-bump: 1.47747 Ang G6.C and P7.CD neighbor-bump: 2.33844 Ang G6.CA and P7.CD neighbor-bump: 2.83133 Ang G6.C and P7.CG neighbor-bump: 2.14625 Ang T4.CG2 and D5.N self-bump: 1.24215 Ang T4.CA and T4.CB Number of specific fragments= 1 total=1257 # 1qgoA.51.54 read from T0187.t2k.frag # found chain 1qgoA in template set T0187 51 :DGTDGPTDA 1qgoA 55 :DGIDIDTPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1258 # 1kgsA.51.56 read from T0187.t2k.frag # found chain 1kgsA in training set T0187 51 :DGTDGPTDA 1kgsA 57 :PVHDGWEIL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9366 Ang T4.CG2 and D9.OD1 neighbor-bump: 2.31084 Ang D2.CB and G3.N self-bump: 2.14503 Ang D2.CB and D2.C self-bump: 1.28329 Ang D2.CA and D2.CB Number of specific fragments= 1 total=1259 # 1qkkA.52.58 read from T0187.t2k.frag # found chain 1qkkA in template set T0187 52 :GTDGPTDAA 1qkkA 60 :GMDGLALFR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69178 Ang D4.OD2 and P6.CD Number of specific fragments= 1 total=1260 # 2fsp.52.58 read from T0187.t2k.frag # found chain 2fsp in template set T0187 52 :GTDGPTDAA 2fsp 59 :GMDGIEILK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.30475 Ang G5.N and P6.CD other bump:3.00786 Ang D4.CA and P6.CD other bump:2.73626 Ang D4.CB and P6.CD other bump:2.4107 Ang D4.C and P6.CD Number of specific fragments= 1 total=1261 # 1srrA.52.58 read from T0187.t2k.frag # found chain 1srrA in template set T0187 52 :GTDGPTDAA 1srrA 59 :GMDGIEILK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36616 Ang D4.OD2 and T7.OG1 other bump:2.61151 Ang D4.OD1 and P6.CD neighbor-bump: 2.6026 Ang G5.N and P6.CD Number of specific fragments= 1 total=1262 # 1qgoA.52.55 read from T0187.t2k.frag # found chain 1qgoA in template set T0187 52 :GTDGPTDAA 1qgoA 56 :GIDIDTPLQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1263 # 1ntr.52.58 read from T0187.t2k.frag # found chain 1ntr in template set T0187 52 :GTDGPTDAA 1ntr 59 :GMDGLALLK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.33844 Ang G5.CA and P6.CD neighbor-bump: 2.09509 Ang G5.O and P6.CD neighbor-bump: 1.47747 Ang G5.C and P6.CD neighbor-bump: 2.83133 Ang G5.C and P6.CG neighbor-bump: 2.14625 Ang T3.CG2 and D4.N self-bump: 1.24215 Ang T3.CA and T3.CB Number of specific fragments= 1 total=1264 # 1gs5A.52.54 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 52 :GTDGPTDAA 1gs5A 55 :LNLPVKKKN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1265 # 1gs5A.53.55 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 53 :TDGPTDAAG 1gs5A 56 :NLPVKKKNG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1266 # 1qgoA.53.56 read from T0187.t2k.frag # found chain 1qgoA in template set T0187 53 :TDGPTDAAG 1qgoA 57 :IDIDTPLQA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1267 # 1qkkA.53.59 read from T0187.t2k.frag # found chain 1qkkA in template set T0187 53 :TDGPTDAAG 1qkkA 61 :MDGLALFRK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69178 Ang D3.OD2 and P5.CD Number of specific fragments= 1 total=1268 # 1d4aA.53.55 read from T0187.t2k.frag # adding 1d4aA to template set 1d4aA:# found chain 1d4aA in template set T0187 53 :TDGPTDAAG 1d4aA 56 :TGKLKDPAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1269 # 1kbqA.53.55 read from T0187.t2k.frag # adding 1kbqA to template set 1kbqA:# found chain 1kbqA in template set T0187 53 :TDGPTDAAG 1kbqA 56 :TGKLKDPAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1270 # 2fsp.53.59 read from T0187.t2k.frag # found chain 2fsp in template set T0187 53 :TDGPTDAAG 2fsp 60 :MDGIEILKR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.30475 Ang G4.N and P5.CD other bump:2.4107 Ang D3.C and P5.CD other bump:3.00786 Ang D3.CA and P5.CD other bump:2.73626 Ang D3.CB and P5.CD Number of specific fragments= 1 total=1271 # 1gs5A.54.56 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 54 :DGPTDAAGG 1gs5A 57 :LPVKKKNGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1272 # 1d4aA.54.56 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 54 :DGPTDAAGG 1d4aA 57 :GKLKDPANF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1273 # 1kbqA.54.56 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 54 :DGPTDAAGG 1kbqA 57 :GKLKDPANF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1274 # 1qgoA.54.57 read from T0187.t2k.frag # found chain 1qgoA in template set T0187 54 :DGPTDAAGG 1qgoA 58 :DIDTPLQAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1275 # 1g97A.54.57 read from T0187.t2k.frag # found chain 1g97A in template set T0187 54 :DGPTDAAGG 1g97A 58 :LVEEVLAGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1276 # 1gs5A.54.57 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 54 :DGPTDAAGG 1gs5A 58 :PVKKKNGLR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62608 Ang A7.C and A8.CB Number of specific fragments= 1 total=1277 # 1gs5A.55.57 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 55 :GPTDAAGGI 1gs5A 58 :PVKKKNGLR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.56233 Ang D5.OD1 and I10.CD1 Number of specific fragments= 1 total=1278 # 1d4aA.55.57 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 55 :GPTDAAGGI 1d4aA 58 :KLKDPANFQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1279 # 1kbqA.55.57 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 55 :GPTDAAGGI 1kbqA 58 :KLKDPANFQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1280 # 1g97A.55.58 read from T0187.t2k.frag # found chain 1g97A in template set T0187 55 :GPTDAAGGI 1g97A 59 :VEEVLAGQT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1281 # 1gs5A.55.58 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 55 :GPTDAAGGI 1gs5A 59 :VKKKNGLRV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62608 Ang A6.C and A7.CB Number of specific fragments= 1 total=1282 # 1e6uA.55.56 read from T0187.t2k.frag # adding 1e6uA to template set 1e6uA:Skipped atom 144, because occupancy 0.5 <= existing 0.500001 Skipped atom 145, because occupancy 0.5 <= existing 0.500001 Skipped atom 146, because occupancy 0.5 <= existing 0.500001 Skipped atom 147, because occupancy 0.5 <= existing 0.500001 Skipped atom 148, because occupancy 0.5 <= existing 0.500001 Skipped atom 149, because occupancy 0.5 <= existing 0.500001 Skipped atom 383, because occupancy 0.5 <= existing 0.500001 Skipped atom 384, because occupancy 0.5 <= existing 0.500001 Skipped atom 385, because occupancy 0.5 <= existing 0.500001 Skipped atom 386, because occupancy 0.5 <= existing 0.500001 Skipped atom 387, because occupancy 0.5 <= existing 0.500001 Skipped atom 548, because occupancy 0.5 <= existing 0.500001 Skipped atom 549, because occupancy 0.5 <= existing 0.500001 Skipped atom 550, because occupancy 0.5 <= existing 0.500001 Skipped atom 768, because occupancy 0.5 <= existing 0.500001 Skipped atom 769, because occupancy 0.5 <= existing 0.500001 Skipped atom 770, because occupancy 0.5 <= existing 0.500001 Skipped atom 787, because occupancy 0.5 <= existing 0.500001 Skipped atom 788, because occupancy 0.5 <= existing 0.500001 Skipped atom 789, because occupancy 0.5 <= existing 0.500001 Skipped atom 790, because occupancy 0.5 <= existing 0.500001 Skipped atom 1280, because occupancy 0.5 <= existing 0.500001 Skipped atom 1654, because occupancy 0.5 <= existing 0.500001 Skipped atom 1735, because occupancy 0.5 <= existing 0.500001 Skipped atom 1736, because occupancy 0.5 <= existing 0.500001 Skipped atom 2092, because occupancy 0.5 <= existing 0.500001 Skipped atom 2093, because occupancy 0.5 <= existing 0.500001 # found chain 1e6uA in template set T0187 55 :GPTDAAGGI 1e6uA 57 :DQVYLAAAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1283 # 1gs5A.56.58 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 56 :PTDAAGGIV 1gs5A 59 :VKKKNGLRV 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 # 1d4aA.56.58 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 56 :PTDAAGGIV 1d4aA 59 :LKDPANFQY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1285 # 1kbqA.56.58 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 56 :PTDAAGGIV 1kbqA 59 :LKDPANFQY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1286 # 1g97A.56.59 read from T0187.t2k.frag # found chain 1g97A in template set T0187 56 :PTDAAGGIV 1g97A 60 :EEVLAGQTE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1287 # 1e6uA.56.57 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 56 :PTDAAGGIV 1e6uA 58 :QVYLAAAKV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1288 # 1gs5A.56.59 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 56 :PTDAAGGIV 1gs5A 60 :KKKNGLRVT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62608 Ang A5.C and A6.CB Number of specific fragments= 1 total=1289 # 1gs5A.57.59 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 57 :TDAAGGIVD 1gs5A 60 :KKKNGLRVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1290 # 1d4aA.57.59 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 57 :TDAAGGIVD 1d4aA 60 :KDPANFQYP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3926 Ang T2.CA and T2.CB Number of specific fragments= 1 total=1291 # 1kbqA.57.59 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 57 :TDAAGGIVD 1kbqA 60 :KDPANFQYP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39215 Ang T2.CA and T2.CB Number of specific fragments= 1 total=1292 # 1g97A.57.60 read from T0187.t2k.frag # found chain 1g97A in template set T0187 57 :TDAAGGIVD 1g97A 61 :EVLAGQTEF 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 # 1e6uA.57.58 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 57 :TDAAGGIVD 1e6uA 59 :VYLAAAKVG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1294 # 1gs5A.57.60 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 57 :TDAAGGIVD 1gs5A 61 :KKNGLRVTP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.14962 Ang T2.CG2 and A5.C neighbor-bump: 2.62608 Ang A4.C and A5.CB Number of specific fragments= 1 total=1295 # 1gs5A.58.60 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 58 :DAAGGIVDG 1gs5A 61 :KKNGLRVTP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1296 # 1e6uA.58.59 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 58 :DAAGGIVDG 1e6uA 60 :YLAAAKVGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1297 # 1d4aA.58.60 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 58 :DAAGGIVDG 1d4aA 61 :DPANFQYPA 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 # 1kbqA.58.60 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 58 :DAAGGIVDG 1kbqA 61 :DPANFQYPA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1299 # 1g97A.58.61 read from T0187.t2k.frag # found chain 1g97A in template set T0187 58 :DAAGGIVDG 1g97A 62 :VLAGQTEFV 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 # 1jnxX.58.61 read from T0187.t2k.frag # adding 1jnxX to template set 1jnxX:# found chain 1jnxX in template set T0187 58 :DAAGGIVDG 1jnxX 1707 :IAGGKWVVS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1301 # 1gs5A.59.61 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 59 :AAGGIVDGS 1gs5A 62 :KNGLRVTPA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1302 # 1e6uA.59.60 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 59 :AAGGIVDGS 1e6uA 61 :LAAAKVGGI 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 # 1d4aA.59.61 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 59 :AAGGIVDGS 1d4aA 62 :PANFQYPAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1304 # 1kbqA.59.61 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 59 :AAGGIVDGS 1kbqA 62 :PANFQYPAE 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 # 1gs5A.59.62 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 59 :AAGGIVDGS 1gs5A 63 :NGLRVTPAD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62608 Ang A2.C and A3.CB Number of specific fragments= 1 total=1306 # 1jf8A.59.61 read from T0187.t2k.frag # adding 1jf8A to template set 1jf8A:# found chain 1jf8A in template set T0187 59 :AAGGIVDGS 1jf8A 62 :HTSDLIDND 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 # 1gs5A.60.62 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 60 :AGGIVDGST 1gs5A 63 :NGLRVTPAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1308 # 1e6uA.60.61 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 60 :AGGIVDGST 1e6uA 62 :AAAKVGGIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1309 # 1d4aA.60.62 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 60 :AGGIVDGST 1d4aA 63 :ANFQYPAES 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 # 1kbqA.60.62 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 60 :AGGIVDGST 1kbqA 63 :ANFQYPAES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1311 # 1jf8A.60.62 read from T0187.t2k.frag # found chain 1jf8A in template set T0187 60 :AGGIVDGST 1jf8A 63 :TSDLIDNDI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1312 # 1gs5A.60.63 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 60 :AGGIVDGST 1gs5A 64 :GLRVTPADQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62608 Ang G1.C and A2.CB Number of specific fragments= 1 total=1313 # 1gs5A.61.63 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 61 :GGIVDGSTA 1gs5A 64 :GLRVTPADQ 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 # 1e6uA.61.62 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 61 :GGIVDGSTA 1e6uA 63 :AAKVGGIVA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74744 Ang D6.CB and A10.CB other bump:2.21078 Ang D6.CG and A10.CB other bump:1.86286 Ang D6.OD2 and A10.CB Number of specific fragments= 1 total=1315 # 1d4aA.61.63 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 61 :GGIVDGSTA 1d4aA 64 :NFQYPAESV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1316 # 1jf8A.61.63 read from T0187.t2k.frag # found chain 1jf8A in template set T0187 61 :GGIVDGSTA 1jf8A 64 :SDLIDNDIL 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 # 1kbqA.61.63 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 61 :GGIVDGSTA 1kbqA 64 :NFQYPAESV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1318 # 1gs5A.61.64 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 61 :GGIVDGSTA 1gs5A 65 :LRVTPADQI 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 # 1gs5A.62.64 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 62 :GIVDGSTAK 1gs5A 65 :LRVTPADQI 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 # 1e6uA.62.63 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 62 :GIVDGSTAK 1e6uA 64 :AKVGGIVAN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74744 Ang D5.CB and A9.CB other bump:2.21078 Ang D5.CG and A9.CB other bump:1.86286 Ang D5.OD2 and A9.CB Number of specific fragments= 1 total=1321 # 2dln.62.65 read from T0187.t2k.frag # found chain 2dln in template set T0187 62 :GIVDGSTAK 2dln 66 :GGEDGTLQG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1322 # 1d4aA.62.64 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 62 :GIVDGSTAK 1d4aA 65 :FQYPAESVL 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 # 1iow.62.65 read from T0187.t2k.frag # found chain 1iow in template set T0187 62 :GIVDGSTAK 1iow 66 :GGEDGTLQG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.08135 Ang G2.O and T8.OG1 Number of specific fragments= 1 total=1324 # 1kbqA.62.64 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 62 :GIVDGSTAK 1kbqA 65 :FQYPAESVL 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 # 1gs5A.63.65 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 63 :IVDGSTAKT 1gs5A 66 :RVTPADQID 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 # 1iow.63.66 read from T0187.t2k.frag # found chain 1iow in template set T0187 63 :IVDGSTAKT 1iow 67 :GEDGTLQGM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.08135 Ang G1.O and T7.OG1 Number of specific fragments= 1 total=1327 # 2dln.63.66 read from T0187.t2k.frag # found chain 2dln in template set T0187 63 :IVDGSTAKT 2dln 67 :GEDGTLQGM 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 # 1e6uA.63.64 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 63 :IVDGSTAKT 1e6uA 65 :KVGGIVANN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74744 Ang D4.CB and A8.CB other bump:2.21078 Ang D4.CG and A8.CB other bump:1.86286 Ang D4.OD2 and A8.CB Number of specific fragments= 1 total=1329 # 1d4aA.63.65 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 63 :IVDGSTAKT 1d4aA 66 :QYPAESVLA 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 # 1kbqA.63.65 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 63 :IVDGSTAKT 1kbqA 66 :QYPAESVLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1331 # 1gs5A.64.66 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 64 :VDGSTAKTL 1gs5A 67 :VTPADQIDI 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 # 1iow.64.67 read from T0187.t2k.frag # found chain 1iow in template set T0187 64 :VDGSTAKTL 1iow 68 :EDGTLQGML Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1333 # 2dln.64.67 read from T0187.t2k.frag # found chain 2dln in template set T0187 64 :VDGSTAKTL 2dln 68 :EDGTLQGML 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 # 1e6uA.64.65 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 64 :VDGSTAKTL 1e6uA 66 :VGGIVANNT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74744 Ang D3.CB and A7.CB other bump:2.21078 Ang D3.CG and A7.CB other bump:1.86286 Ang D3.OD2 and A7.CB Number of specific fragments= 1 total=1335 # 1d4aA.64.66 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 64 :VDGSTAKTL 1d4aA 67 :YPAESVLAY 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 # 1d7kA.64.65 read from T0187.t2k.frag # adding 1d7kA to template set 1d7kA:Bad short name: N1 for alphabet: pdb_atoms Bad short name: C2 for alphabet: pdb_atoms Bad short name: C2A 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: C4A for alphabet: pdb_atoms Bad short name: C5 for alphabet: pdb_atoms Bad short name: C6 for alphabet: pdb_atoms Bad short name: C5A for alphabet: pdb_atoms Bad short name: O4P for alphabet: pdb_atoms Bad short name: P for alphabet: pdb_atoms Bad short name: O1P for alphabet: pdb_atoms Bad short name: O2P for alphabet: pdb_atoms Bad short name: O3P for alphabet: pdb_atoms # found chain 1d7kA in template set T0187 64 :VDGSTAKTL 1d7kA 72 :DSKAIVKTL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1337 # 1gs5A.65.67 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 65 :DGSTAKTLK 1gs5A 68 :TPADQIDII Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67683 Ang D2.CB and K10.NZ other bump:2.29803 Ang D2.CG and K10.NZ other bump:2.5009 Ang D2.OD1 and K10.CE Number of specific fragments= 1 total=1338 # 1iow.65.68 read from T0187.t2k.frag # found chain 1iow in template set T0187 65 :DGSTAKTLK 1iow 69 :DGTLQGMLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1339 # 2dln.65.68 read from T0187.t2k.frag # found chain 2dln in template set T0187 65 :DGSTAKTLK 2dln 69 :DGTLQGMLE 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 # 1d4aA.65.67 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 65 :DGSTAKTLK 1d4aA 68 :PAESVLAYK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1341 # 1e6uA.65.66 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 65 :DGSTAKTLK 1e6uA 67 :GGIVANNTY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74744 Ang D2.CB and A6.CB other bump:2.21078 Ang D2.CG and A6.CB other bump:1.86286 Ang D2.OD2 and A6.CB Number of specific fragments= 1 total=1342 # 1d7kA.65.66 read from T0187.t2k.frag # found chain 1d7kA in template set T0187 65 :DGSTAKTLK 1d7kA 73 :SKAIVKTLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1343 # 1iow.66.69 read from T0187.t2k.frag # found chain 1iow in template set T0187 66 :GSTAKTLKA 1iow 70 :GTLQGMLEL 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 # 2dln.66.69 read from T0187.t2k.frag # found chain 2dln in template set T0187 66 :GSTAKTLKA 2dln 70 :GTLQGMLEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1345 # 1gs5A.66.68 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 66 :GSTAKTLKA 1gs5A 69 :PADQIDIIT 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 # 1d4aA.66.68 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 66 :GSTAKTLKA 1d4aA 69 :AESVLAYKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1347 # 1d7kA.66.67 read from T0187.t2k.frag # found chain 1d7kA in template set T0187 66 :GSTAKTLKA 1d7kA 74 :KAIVKTLAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1348 # 1e6uA.66.67 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 66 :GSTAKTLKA 1e6uA 68 :GIVANNTYP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1349 # 1iow.67.70 read from T0187.t2k.frag # found chain 1iow in template set T0187 67 :STAKTLKAM 1iow 71 :TLQGMLELM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1350 # 2dln.67.70 read from T0187.t2k.frag # found chain 2dln in template set T0187 67 :STAKTLKAM 2dln 71 :TLQGMLELM 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 # 1gs5A.67.69 read from T0187.t2k.frag # found chain 1gs5A in template set T0187 67 :STAKTLKAM 1gs5A 70 :ADQIDIITG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1352 # 1d4aA.67.69 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 67 :STAKTLKAM 1d4aA 70 :ESVLAYKEG 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 # 1d7kA.67.68 read from T0187.t2k.frag # found chain 1d7kA in template set T0187 67 :STAKTLKAM 1d7kA 75 :AIVKTLAAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1354 # 1kbqA.67.69 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 67 :STAKTLKAM 1kbqA 70 :ESVLAYKEG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1355 # 2dln.68.71 read from T0187.t2k.frag # found chain 2dln in template set T0187 68 :TAKTLKAMG 2dln 72 :LQGMLELMG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1356 # 1iow.68.71 read from T0187.t2k.frag # found chain 1iow in template set T0187 68 :TAKTLKAMG 1iow 72 :LQGMLELMG 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 # 1d4aA.68.70 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 68 :TAKTLKAMG 1d4aA 71 :SVLAYKEGH Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09361 Ang T5.CG2 and G11.CA other bump:2.92995 Ang T5.CG2 and G11.N other bump:2.65562 Ang T5.CG2 and G10.C other bump:2.41034 Ang T5.CG2 and G10.O Number of specific fragments= 1 total=1358 # 1l1sA.68.71 read from T0187.t2k.frag # adding 1l1sA to template set 1l1sA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1l1sA in template set T0187 68 :TAKTLKAMG 1l1sA 72 :CSNTLRASG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41228 Ang T2.OG1 and T5.OG1 other bump:2.70468 Ang T2.OG1 and T5.CG2 Number of specific fragments= 1 total=1359 # 1kbqA.68.70 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 68 :TAKTLKAMG 1kbqA 71 :SVLAYKEGH Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.1249 Ang T5.CG2 and G11.CA other bump:2.90179 Ang T5.CG2 and G11.N other bump:2.64163 Ang T5.CG2 and G10.C other bump:2.47799 Ang T5.CG2 and G10.O Number of specific fragments= 1 total=1360 # 1d7kA.68.69 read from T0187.t2k.frag # found chain 1d7kA in template set T0187 68 :TAKTLKAMG 1d7kA 76 :IVKTLAATG 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 # 2dln.69.72 read from T0187.t2k.frag # found chain 2dln in template set T0187 69 :AKTLKAMGE 2dln 73 :QGMLELMGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1362 # 1iow.69.72 read from T0187.t2k.frag # found chain 1iow in template set T0187 69 :AKTLKAMGE 1iow 73 :QGMLELMGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1363 # 1d4aA.69.71 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 69 :AKTLKAMGE 1d4aA 72 :VLAYKEGHL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.33876 Ang G1.O and E10.OE2 other bump:2.6743 Ang T4.CB and E10.OE2 other bump:3.09361 Ang T4.CG2 and E10.CA other bump:2.92995 Ang T4.CG2 and E10.N other bump:2.65562 Ang T4.CG2 and G9.C other bump:2.41034 Ang T4.CG2 and G9.O Number of specific fragments= 1 total=1364 # 1l1sA.69.72 read from T0187.t2k.frag # found chain 1l1sA in template set T0187 69 :AKTLKAMGE 1l1sA 73 :SNTLRASGM 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 # 1kbqA.69.71 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 69 :AKTLKAMGE 1kbqA 72 :VLAYKEGHL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16882 Ang G1.O and E10.OE2 other bump:2.58164 Ang T4.CB and E10.OE2 other bump:3.1249 Ang T4.CG2 and E10.CA other bump:2.90179 Ang T4.CG2 and E10.N other bump:2.64163 Ang T4.CG2 and G9.C other bump:2.47799 Ang T4.CG2 and G9.O Number of specific fragments= 1 total=1366 # 1d7kA.69.70 read from T0187.t2k.frag # found chain 1d7kA in template set T0187 69 :AKTLKAMGE 1d7kA 77 :VKTLAATGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1367 # 2dln.70.73 read from T0187.t2k.frag # found chain 2dln in template set T0187 70 :KTLKAMGED 2dln 74 :GMLELMGLP 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 # 1iow.70.73 read from T0187.t2k.frag # found chain 1iow in template set T0187 70 :KTLKAMGED 1iow 74 :GMLELMGLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1369 # 1l1sA.70.73 read from T0187.t2k.frag # found chain 1l1sA in template set T0187 70 :KTLKAMGED 1l1sA 74 :NTLRASGMD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1370 # 1d4aA.70.72 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 70 :KTLKAMGED 1d4aA 73 :LAYKEGHLS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6743 Ang T3.CB and E9.OE2 other bump:3.09361 Ang T3.CG2 and E9.CA other bump:2.92995 Ang T3.CG2 and E9.N other bump:2.65562 Ang T3.CG2 and G8.C other bump:2.41034 Ang T3.CG2 and G8.O Number of specific fragments= 1 total=1371 # 1kbqA.70.72 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 70 :KTLKAMGED 1kbqA 73 :LAYKEGHLS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58164 Ang T3.CB and E9.OE2 other bump:3.1249 Ang T3.CG2 and E9.CA other bump:2.90179 Ang T3.CG2 and E9.N other bump:2.64163 Ang T3.CG2 and G8.C other bump:2.47799 Ang T3.CG2 and G8.O Number of specific fragments= 1 total=1372 # 1d7kA.70.71 read from T0187.t2k.frag # found chain 1d7kA in template set T0187 70 :KTLKAMGED 1d7kA 78 :KTLAATGTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1373 # 2dln.71.74 read from T0187.t2k.frag # found chain 2dln in template set T0187 71 :TLKAMGEDP 2dln 75 :MLELMGLPY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.9923 Ang D9.C and P10.CD Number of specific fragments= 1 total=1374 # 1iow.71.74 read from T0187.t2k.frag # found chain 1iow in template set T0187 71 :TLKAMGEDP 1iow 75 :MLELMGLPY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.05069 Ang D9.C and P10.CD Number of specific fragments= 1 total=1375 # 1l1sA.71.74 read from T0187.t2k.frag # found chain 1l1sA in template set T0187 71 :TLKAMGEDP 1l1sA 75 :TLRASGMDG 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 # 1d4aA.71.73 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 71 :TLKAMGEDP 1d4aA 74 :AYKEGHLSP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6743 Ang T2.CB and E8.OE2 other bump:3.09362 Ang T2.CG2 and E8.CA other bump:2.92995 Ang T2.CG2 and E8.N other bump:2.65562 Ang T2.CG2 and G7.C other bump:2.41034 Ang T2.CG2 and G7.O Number of specific fragments= 1 total=1377 # 1kbqA.71.73 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 71 :TLKAMGEDP 1kbqA 74 :AYKEGHLSP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58164 Ang T2.CB and E8.OE2 other bump:3.1249 Ang T2.CG2 and E8.CA other bump:2.90179 Ang T2.CG2 and E8.N other bump:2.64163 Ang T2.CG2 and G7.C other bump:2.47799 Ang T2.CG2 and G7.O Number of specific fragments= 1 total=1378 # 1d7kA.71.72 read from T0187.t2k.frag # found chain 1d7kA in template set T0187 71 :TLKAMGEDP 1d7kA 79 :TLAATGTGF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.95257 Ang D9.C and P10.CD neighbor-bump: 2.46897 Ang D9.CA and P10.CD neighbor-bump: 2.7644 Ang D9.C and P10.CG Number of specific fragments= 1 total=1379 # 2dln.72.75 read from T0187.t2k.frag # found chain 2dln in template set T0187 72 :LKAMGEDPY 2dln 76 :LELMGLPYT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48837 Ang E7.O and P9.CD neighbor-bump: 2.4625 Ang D8.CA and P9.CD neighbor-bump: 1.89293 Ang D8.C and P9.CD Number of specific fragments= 1 total=1380 # 1iow.72.75 read from T0187.t2k.frag # found chain 1iow in template set T0187 72 :LKAMGEDPY 1iow 76 :LELMGLPYT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.05069 Ang D8.C and P9.CD Number of specific fragments= 1 total=1381 # 1l1sA.72.75 read from T0187.t2k.frag # found chain 1l1sA in template set T0187 72 :LKAMGEDPY 1l1sA 76 :LRASGMDGD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7228 Ang D8.OD1 and Y10.CD1 Number of specific fragments= 1 total=1382 # 1d4aA.72.74 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 72 :LKAMGEDPY 1d4aA 75 :YKEGHLSPD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39407 Ang Y10.CA and Y10.CB Number of specific fragments= 1 total=1383 # 1kbqA.72.74 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 72 :LKAMGEDPY 1kbqA 75 :YKEGHLSPD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39248 Ang Y10.CA and Y10.CB Number of specific fragments= 1 total=1384 # 1d7kA.72.73 read from T0187.t2k.frag # found chain 1d7kA in template set T0187 72 :LKAMGEDPY 1d7kA 80 :LAATGTGFD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.46897 Ang D8.CA and P9.CD neighbor-bump: 1.95258 Ang D8.C and P9.CD neighbor-bump: 2.7644 Ang D8.C and P9.CG Number of specific fragments= 1 total=1385 # 1l1sA.73.76 read from T0187.t2k.frag # found chain 1l1sA in template set T0187 73 :KAMGEDPYQ 1l1sA 77 :RASGMDGDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1386 # 2dln.73.76 read from T0187.t2k.frag # found chain 2dln in template set T0187 73 :KAMGEDPYQ 2dln 77 :ELMGLPYTG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.35801 Ang Q10.CB and G11.N other bump:2.48837 Ang E6.O and P8.CD neighbor-bump: 2.4625 Ang D7.CA and P8.CD neighbor-bump: 1.89293 Ang D7.C and P8.CD Number of specific fragments= 1 total=1387 # 1iow.73.76 read from T0187.t2k.frag # found chain 1iow in template set T0187 73 :KAMGEDPYQ 1iow 77 :ELMGLPYTG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.32633 Ang Y9.CD2 and Q10.OE1 neighbor-bump: 2.18937 Ang Y9.CE2 and Q10.OE1 neighbor-bump: 2.55653 Ang Y9.CD2 and Q10.CD neighbor-bump: 2.27583 Ang Y9.CE2 and Q10.CD neighbor-bump: 2.13419 Ang Y9.CD2 and Q10.CG neighbor-bump: 2.09593 Ang Y9.CE2 and Q10.CG neighbor-bump: 2.05069 Ang D7.C and P8.CD Number of specific fragments= 1 total=1388 # 1d4aA.73.75 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 73 :KAMGEDPYQ 1d4aA 76 :KEGHLSPDI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.87618 Ang Y9.CD1 and Q10.OE1 neighbor-bump: 2.59889 Ang Y9.CE1 and Q10.OE1 self-bump: 1.39407 Ang Y9.CA and Y9.CB Number of specific fragments= 1 total=1389 # 1kbqA.73.75 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 73 :KAMGEDPYQ 1kbqA 76 :KEGHLSPDI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.85603 Ang Y9.CD1 and Q10.OE1 neighbor-bump: 2.57288 Ang Y9.CE1 and Q10.OE1 self-bump: 1.39248 Ang Y9.CA and Y9.CB Number of specific fragments= 1 total=1390 # 1fqvJ.73.76 read from T0187.t2k.frag # adding 1fqvJ to template set 1fqvJ:# found chain 1fqvJ in template set T0187 73 :KAMGEDPYQ 1fqvJ 91 :EFLKVDQGT Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6955 Ang E6.OE2 and G11.CA other bump:3.13884 Ang E6.CD and G11.N other bump:2.80064 Ang E6.OE2 and Q10.C other bump:2.91024 Ang E6.CB and Q10.NE2 other bump:2.43415 Ang E6.CD and Q10.NE2 other bump:1.29739 Ang E6.OE1 and Q10.NE2 other bump:1.02312 Ang E6.CD and Q10.OE1 other bump:1.23894 Ang E6.OE1 and Q10.OE1 other bump:1.19447 Ang E6.OE2 and Q10.OE1 other bump:2.76447 Ang E6.CG and Q10.CD other bump:1.59708 Ang E6.CD and Q10.CD other bump:0.449364 Ang E6.OE1 and Q10.CD other bump:2.32716 Ang E6.OE2 and Q10.CD other bump:2.63877 Ang E6.CD and Q10.CG other bump:1.75756 Ang E6.OE1 and Q10.CG other bump:2.84845 Ang E6.CD and Q10.CB other bump:2.53591 Ang E6.OE1 and Q10.CB Number of specific fragments= 1 total=1391 # 1l1sA.74.77 read from T0187.t2k.frag # found chain 1l1sA in template set T0187 74 :AMGEDPYQY 1l1sA 78 :ASGMDGDDL 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 # 1d4aA.74.76 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 74 :AMGEDPYQY 1d4aA 77 :EGHLSPDIV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.87618 Ang Y8.CD1 and Q9.OE1 neighbor-bump: 2.59889 Ang Y8.CE1 and Q9.OE1 self-bump: 1.39407 Ang Y8.CA and Y8.CB Number of specific fragments= 1 total=1393 # 2dln.74.77 read from T0187.t2k.frag # found chain 2dln in template set T0187 74 :AMGEDPYQY 2dln 78 :LMGLPYTGS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.35801 Ang Q9.CB and Y10.N other bump:2.48837 Ang E5.O and P7.CD neighbor-bump: 2.4625 Ang D6.CA and P7.CD neighbor-bump: 1.89293 Ang D6.C and P7.CD Number of specific fragments= 1 total=1394 # 1iow.74.77 read from T0187.t2k.frag # found chain 1iow in template set T0187 74 :AMGEDPYQY 1iow 78 :LMGLPYTGS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.32633 Ang Y8.CD2 and Q9.OE1 neighbor-bump: 2.18937 Ang Y8.CE2 and Q9.OE1 neighbor-bump: 2.55654 Ang Y8.CD2 and Q9.CD neighbor-bump: 2.27583 Ang Y8.CE2 and Q9.CD neighbor-bump: 2.1342 Ang Y8.CD2 and Q9.CG neighbor-bump: 2.09594 Ang Y8.CE2 and Q9.CG neighbor-bump: 2.05069 Ang D6.C and P7.CD Number of specific fragments= 1 total=1395 # 1kbqA.74.76 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 74 :AMGEDPYQY 1kbqA 77 :EGHLSPDIV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.85604 Ang Y8.CD1 and Q9.OE1 neighbor-bump: 2.57288 Ang Y8.CE1 and Q9.OE1 self-bump: 1.39248 Ang Y8.CA and Y8.CB Number of specific fragments= 1 total=1396 # 1fqvJ.74.77 read from T0187.t2k.frag # found chain 1fqvJ in template set T0187 74 :AMGEDPYQY 1fqvJ 92 :FLKVDQGTL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6955 Ang E5.OE2 and Y10.CA other bump:3.13884 Ang E5.CD and Y10.N other bump:2.80064 Ang E5.OE2 and Q9.C other bump:2.43415 Ang E5.CD and Q9.NE2 other bump:1.29738 Ang E5.OE1 and Q9.NE2 other bump:2.91024 Ang E5.CB and Q9.NE2 other bump:1.02313 Ang E5.CD and Q9.OE1 other bump:1.23895 Ang E5.OE1 and Q9.OE1 other bump:1.19447 Ang E5.OE2 and Q9.OE1 other bump:2.76447 Ang E5.CG and Q9.CD other bump:1.59708 Ang E5.CD and Q9.CD other bump:0.449372 Ang E5.OE1 and Q9.CD other bump:2.32716 Ang E5.OE2 and Q9.CD other bump:2.63877 Ang E5.CD and Q9.CG other bump:1.75756 Ang E5.OE1 and Q9.CG other bump:2.84846 Ang E5.CD and Q9.CB other bump:2.53592 Ang E5.OE1 and Q9.CB Number of specific fragments= 1 total=1397 # 1l1sA.75.78 read from T0187.t2k.frag # found chain 1l1sA in template set T0187 75 :MGEDPYQYL 1l1sA 79 :SGMDGDDLL 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 # 1d4aA.75.77 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 75 :MGEDPYQYL 1d4aA 78 :GHLSPDIVA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.87618 Ang Y7.CD1 and Q8.OE1 neighbor-bump: 2.59889 Ang Y7.CE1 and Q8.OE1 self-bump: 1.39407 Ang Y7.CA and Y7.CB Number of specific fragments= 1 total=1399 # 1kbqA.75.77 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 75 :MGEDPYQYL 1kbqA 78 :GHLSPDIVA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.85604 Ang Y7.CD1 and Q8.OE1 neighbor-bump: 2.57288 Ang Y7.CE1 and Q8.OE1 self-bump: 1.39248 Ang Y7.CA and Y7.CB Number of specific fragments= 1 total=1400 # 2dln.75.78 read from T0187.t2k.frag # found chain 2dln in template set T0187 75 :MGEDPYQYL 2dln 79 :MGLPYTGSG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.35801 Ang Q8.CB and Y9.N other bump:2.48837 Ang E4.O and P6.CD neighbor-bump: 2.4625 Ang D5.CA and P6.CD neighbor-bump: 1.89293 Ang D5.C and P6.CD Number of specific fragments= 1 total=1401 # 1iow.75.78 read from T0187.t2k.frag # found chain 1iow in template set T0187 75 :MGEDPYQYL 1iow 79 :MGLPYTGSG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.32633 Ang Y7.CD2 and Q8.OE1 neighbor-bump: 2.18937 Ang Y7.CE2 and Q8.OE1 neighbor-bump: 2.55654 Ang Y7.CD2 and Q8.CD neighbor-bump: 2.27583 Ang Y7.CE2 and Q8.CD neighbor-bump: 2.1342 Ang Y7.CD2 and Q8.CG neighbor-bump: 2.09594 Ang Y7.CE2 and Q8.CG neighbor-bump: 2.05069 Ang D5.C and P6.CD Number of specific fragments= 1 total=1402 # 1fqvJ.75.78 read from T0187.t2k.frag # found chain 1fqvJ in template set T0187 75 :MGEDPYQYL 1fqvJ 93 :LKVDQGTLF Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.25155 Ang M2.SD and Y9.CE1 other bump:2.6955 Ang E4.OE2 and Y9.CA other bump:3.13884 Ang E4.CD and Y9.N other bump:2.80064 Ang E4.OE2 and Q8.C other bump:2.43415 Ang E4.CD and Q8.NE2 other bump:1.29738 Ang E4.OE1 and Q8.NE2 other bump:2.91024 Ang E4.CB and Q8.NE2 other bump:1.02313 Ang E4.CD and Q8.OE1 other bump:1.23895 Ang E4.OE1 and Q8.OE1 other bump:1.19447 Ang E4.OE2 and Q8.OE1 other bump:2.76447 Ang E4.CG and Q8.CD other bump:1.59708 Ang E4.CD and Q8.CD other bump:0.449372 Ang E4.OE1 and Q8.CD other bump:2.32716 Ang E4.OE2 and Q8.CD other bump:2.63877 Ang E4.CD and Q8.CG other bump:1.75756 Ang E4.OE1 and Q8.CG other bump:2.84846 Ang E4.CD and Q8.CB other bump:2.53592 Ang E4.OE1 and Q8.CB Number of specific fragments= 1 total=1403 # 1l1sA.76.79 read from T0187.t2k.frag # found chain 1l1sA in template set T0187 76 :GEDPYQYLK 1l1sA 80 :GMDGDDLLE 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 # 1d4aA.76.78 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 76 :GEDPYQYLK 1d4aA 79 :HLSPDIVAE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.87618 Ang Y6.CD1 and Q7.OE1 neighbor-bump: 2.59889 Ang Y6.CE1 and Q7.OE1 self-bump: 1.39407 Ang Y6.CA and Y6.CB Number of specific fragments= 1 total=1405 # 1kbqA.76.78 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 76 :GEDPYQYLK 1kbqA 79 :HLSPDIVAE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.85604 Ang Y6.CD1 and Q7.OE1 neighbor-bump: 2.57288 Ang Y6.CE1 and Q7.OE1 self-bump: 1.39248 Ang Y6.CA and Y6.CB Number of specific fragments= 1 total=1406 # 1e6uA.76.77 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 76 :GEDPYQYLK 1e6uA 78 :DFIYQNMMI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37448 Ang D4.OD1 and Y8.CE1 other bump:1.52506 Ang G1.O and P5.CD other bump:2.69261 Ang G1.C and P5.CD other bump:2.11946 Ang G1.O and P5.CG other bump:3.1774 Ang G1.C and P5.CG Number of specific fragments= 1 total=1407 # 1fqvJ.76.79 read from T0187.t2k.frag # found chain 1fqvJ in template set T0187 76 :GEDPYQYLK 1fqvJ 94 :KVDQGTLFE Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48434 Ang Y6.CE1 and K10.NZ other bump:2.4998 Ang Y6.CZ and K10.NZ other bump:2.49196 Ang Y6.OH and K10.NZ other bump:2.6955 Ang E3.OE2 and Y8.CA other bump:3.13884 Ang E3.CD and Y8.N other bump:2.80064 Ang E3.OE2 and Q7.C other bump:2.43415 Ang E3.CD and Q7.NE2 other bump:1.29738 Ang E3.OE1 and Q7.NE2 other bump:2.91024 Ang E3.CB and Q7.NE2 other bump:1.02313 Ang E3.CD and Q7.OE1 other bump:1.23895 Ang E3.OE1 and Q7.OE1 other bump:1.19447 Ang E3.OE2 and Q7.OE1 other bump:1.59708 Ang E3.CD and Q7.CD other bump:0.449372 Ang E3.OE1 and Q7.CD other bump:2.32716 Ang E3.OE2 and Q7.CD other bump:2.76447 Ang E3.CG and Q7.CD other bump:2.63877 Ang E3.CD and Q7.CG other bump:1.75756 Ang E3.OE1 and Q7.CG other bump:2.84846 Ang E3.CD and Q7.CB other bump:2.53592 Ang E3.OE1 and Q7.CB Number of specific fragments= 1 total=1408 # 1iow.76.79 read from T0187.t2k.frag # found chain 1iow in template set T0187 76 :GEDPYQYLK 1iow 80 :GLPYTGSGV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.32633 Ang Y6.CD2 and Q7.OE1 neighbor-bump: 2.18937 Ang Y6.CE2 and Q7.OE1 neighbor-bump: 2.55654 Ang Y6.CD2 and Q7.CD neighbor-bump: 2.27583 Ang Y6.CE2 and Q7.CD neighbor-bump: 2.1342 Ang Y6.CD2 and Q7.CG neighbor-bump: 2.09594 Ang Y6.CE2 and Q7.CG neighbor-bump: 2.05069 Ang D4.C and P5.CD Number of specific fragments= 1 total=1409 # 1l1sA.77.80 read from T0187.t2k.frag # found chain 1l1sA in template set T0187 77 :EDPYQYLKN 1l1sA 81 :MDGDDLLEG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38653 Ang N10.CA and N10.CB Number of specific fragments= 1 total=1410 # 1e6uA.77.78 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 77 :EDPYQYLKN 1e6uA 79 :FIYQNMMIE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37447 Ang D3.OD1 and Y7.CE1 Number of specific fragments= 1 total=1411 # 1d4aA.77.79 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 77 :EDPYQYLKN 1d4aA 80 :LSPDIVAEQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.87618 Ang Y5.CD1 and Q6.OE1 neighbor-bump: 2.59889 Ang Y5.CE1 and Q6.OE1 self-bump: 1.39407 Ang Y5.CA and Y5.CB Number of specific fragments= 1 total=1412 # 1kbqA.77.79 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 77 :EDPYQYLKN 1kbqA 80 :LSPDIVAEQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.85604 Ang Y5.CD1 and Q6.OE1 neighbor-bump: 2.57288 Ang Y5.CE1 and Q6.OE1 self-bump: 1.39248 Ang Y5.CA and Y5.CB Number of specific fragments= 1 total=1413 # 1gfsA.77.78 read from T0187.t2k.frag # adding 1gfsA to template set 1gfsA:# found chain 1gfsA in template set T0187 77 :EDPYQYLKN 1gfsA 79 :FIYQNMMIE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2823 Ang D3.OD1 and Y7.CE1 other bump:2.52349 Ang D3.O and Y7.CD1 Number of specific fragments= 1 total=1414 # 1bwsA.77.78 read from T0187.t2k.frag # adding 1bwsA to template set 1bwsA:Skipped atom 270, because occupancy -99 <= existing -1e-04 Skipped atom 271, because occupancy -99 <= existing -1e-04 Skipped atom 272, because occupancy -99 <= existing -1e-04 Skipped atom 273, because occupancy -99 <= existing -1e-04 Skipped atom 274, because occupancy -99 <= existing -1e-04 Skipped atom 275, because occupancy -99 <= existing -1e-04 Skipped atom 280, because occupancy -99 <= existing -1e-04 Skipped atom 281, because occupancy -99 <= existing -1e-04 Skipped atom 282, because occupancy -99 <= existing -1e-04 Skipped atom 283, because occupancy -99 <= existing -1e-04 # found chain 1bwsA in template set T0187 77 :EDPYQYLKN 1bwsA 79 :FIYQNMMIE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11895 Ang Y7.O and N10.OD1 other bump:2.74044 Ang Y7.C and N10.OD1 other bump:2.21241 Ang D3.OD1 and Y7.CE1 other bump:2.55374 Ang D3.O and Y7.CD1 Number of specific fragments= 1 total=1415 # 1l1sA.78.81 read from T0187.t2k.frag # found chain 1l1sA in template set T0187 78 :DPYQYLKNN 1l1sA 82 :DGDDLLEGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1416 # 1e6uA.78.79 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 78 :DPYQYLKNN 1e6uA 80 :IYQNMMIES 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 # 1d4aA.78.80 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 78 :DPYQYLKNN 1d4aA 81 :SPDIVAEQK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.87618 Ang Y4.CD1 and Q5.OE1 neighbor-bump: 2.59889 Ang Y4.CE1 and Q5.OE1 self-bump: 1.39407 Ang Y4.CA and Y4.CB Number of specific fragments= 1 total=1418 # 1kbqA.78.80 read from T0187.t2k.frag # found chain 1kbqA in template set T0187 78 :DPYQYLKNN 1kbqA 81 :SPDIVAEQK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81926 Ang Y6.CE2 and N10.ND2 neighbor-bump: 2.85604 Ang Y4.CD1 and Q5.OE1 neighbor-bump: 2.57288 Ang Y4.CE1 and Q5.OE1 self-bump: 1.39248 Ang Y4.CA and Y4.CB Number of specific fragments= 1 total=1419 # 1gfsA.78.79 read from T0187.t2k.frag # found chain 1gfsA in template set T0187 78 :DPYQYLKNN 1gfsA 80 :IYQNMMIES Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5235 Ang D2.O and Y6.CD1 Number of specific fragments= 1 total=1420 # 1bsvA.78.79 read from T0187.t2k.frag # adding 1bsvA to template set 1bsvA:# found chain 1bsvA in template set T0187 78 :DPYQYLKNN 1bsvA 80 :IYQNMMIES Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56417 Ang D2.O and Y6.CD1 Number of specific fragments= 1 total=1421 # 1l1sA.79.82 read from T0187.t2k.frag # found chain 1l1sA in template set T0187 79 :PYQYLKNND 1l1sA 83 :GDDLLEGVD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.32859 Ang P2.N and P2.CD self-bump: 2.19088 Ang P2.N and P2.CG Number of specific fragments= 1 total=1422 # 1e6uA.79.80 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 79 :PYQYLKNND 1e6uA 81 :YQNMMIESN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1423 # 1i6wA.79.82 read from T0187.t2k.frag # found chain 1i6wA in training set T0187 79 :PYQYLKNND 1i6wA 83 :TLYYIKNLD Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.01262 Ang N9.OD1 and G11.N other bump:2.3814 Ang Y5.C and N9.OD1 other bump:1.24158 Ang Y5.O and N9.OD1 other bump:2.72561 Ang Y5.CD1 and N9.ND2 other bump:1.19027 Ang Y5.CA and N9.ND2 other bump:2.22269 Ang Y5.CB and N9.ND2 other bump:1.32932 Ang Y5.C and N9.ND2 other bump:2.51491 Ang Y5.N and N9.ND2 other bump:1.52644 Ang Y5.O and N9.ND2 other bump:2.52148 Ang Y5.CA and N9.CG other bump:2.06717 Ang Y5.C and N9.CG other bump:1.24696 Ang Y5.O and N9.CG other bump:2.64784 Ang Y5.O and N9.CB Number of specific fragments= 1 total=1424 # 1gfsA.79.80 read from T0187.t2k.frag # found chain 1gfsA in template set T0187 79 :PYQYLKNND 1gfsA 81 :YQNMMIESN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5235 Ang G1.O and Y5.CD1 Number of specific fragments= 1 total=1425 # 1d4aA.79.81 read from T0187.t2k.frag # found chain 1d4aA in template set T0187 79 :PYQYLKNND 1d4aA 82 :PDIVAEQKK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86485 Ang Y5.CE2 and N9.ND2 neighbor-bump: 2.87618 Ang Y3.CD1 and Q4.OE1 neighbor-bump: 2.59889 Ang Y3.CE1 and Q4.OE1 self-bump: 1.39407 Ang Y3.CA and Y3.CB Number of specific fragments= 1 total=1426 # 1bsvA.79.80 read from T0187.t2k.frag # found chain 1bsvA in template set T0187 79 :PYQYLKNND 1bsvA 81 :YQNMMIESN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56417 Ang G1.O and Y5.CD1 Number of specific fragments= 1 total=1427 # 1e6uA.80.81 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 80 :YQYLKNNDS 1e6uA 82 :QNMMIESNI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1428 # 1l1sA.80.83 read from T0187.t2k.frag # found chain 1l1sA in template set T0187 80 :YQYLKNNDS 1l1sA 84 :DDLLEGVDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1429 # 1dv1A.80.81 read from T0187.t2k.frag # adding 1dv1A to template set 1dv1A:Skipped atom 1338, because occupancy 0.5 <= existing 0.500001 Skipped atom 1340, because occupancy 0.5 <= existing 0.500001 Skipped atom 1342, because occupancy 0.5 <= existing 0.500001 Skipped atom 1344, because occupancy 0.5 <= existing 0.500001 Skipped atom 1346, because occupancy 0.5 <= existing 0.500001 Skipped atom 3132, because occupancy 0.5 <= existing 0.500001 Skipped atom 3134, because occupancy 0.5 <= existing 0.500001 Skipped atom 3136, because occupancy 0.5 <= existing 0.500001 Skipped atom 3138, because occupancy 0.5 <= existing 0.500001 # found chain 1dv1A in template set T0187 80 :YQYLKNNDS 1dv1A 82 :YGFLSENAN Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.70877 Ang G1.C and K6.NZ other bump:0.548822 Ang Y2.N and K6.NZ other bump:1.41876 Ang Y2.CA and K6.NZ other bump:2.47604 Ang Y2.C and K6.NZ other bump:2.1757 Ang Y2.CB and K6.NZ other bump:1.85529 Ang G1.O and K6.CE other bump:1.0019 Ang G1.C and K6.CE other bump:0.939254 Ang Y2.N and K6.CE other bump:1.97553 Ang Y2.CA and K6.CE other bump:2.63648 Ang Y2.C and K6.CE other bump:1.59071 Ang G1.O and K6.CD other bump:1.8557 Ang G1.C and K6.CD other bump:2.01738 Ang Y2.N and K6.CD other bump:2.00792 Ang Y2.CA and K6.CD other bump:2.66039 Ang Y2.C and K6.CD other bump:2.44981 Ang G1.O and K6.CG other bump:2.8574 Ang G1.C and K6.CG self-bump: 1.31625 Ang Y4.CA and Y4.CB neighbor-bump: 2.37875 Ang Q3.CB and Y4.N self-bump: 2.15743 Ang Q3.CB and Q3.C self-bump: 1.28161 Ang Q3.CA and Q3.CB Number of specific fragments= 1 total=1430 # 1i6wA.80.83 read from T0187.t2k.frag # found chain 1i6wA in training set T0187 80 :YQYLKNNDS 1i6wA 84 :LYYIKNLDG Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.22284 Ang Y4.O and S10.OG other bump:2.18746 Ang Y4.C and S10.OG other bump:2.04606 Ang L5.N and S10.OG other bump:1.97502 Ang L5.CA and S10.OG other bump:2.90104 Ang Y4.CG and S10.CB other bump:2.52954 Ang Y4.CD2 and S10.CB other bump:2.7778 Ang Y4.CZ and S10.CB other bump:3.24463 Ang Y4.C and S10.CB other bump:2.4717 Ang Y4.CE2 and S10.CB other bump:3.14837 Ang L5.CD2 and S10.CB other bump:2.01262 Ang N8.OD1 and S10.N other bump:1.24158 Ang Y4.O and N8.OD1 other bump:2.3814 Ang Y4.C and N8.OD1 other bump:1.19027 Ang Y4.CA and N8.ND2 other bump:2.22269 Ang Y4.CB and N8.ND2 other bump:2.51491 Ang Y4.N and N8.ND2 other bump:2.72561 Ang Y4.CD1 and N8.ND2 other bump:1.52644 Ang Y4.O and N8.ND2 other bump:1.32932 Ang Y4.C and N8.ND2 other bump:2.52148 Ang Y4.CA and N8.CG other bump:1.24696 Ang Y4.O and N8.CG other bump:2.06717 Ang Y4.C and N8.CG other bump:2.64784 Ang Y4.O and N8.CB Number of specific fragments= 1 total=1431 # 1jmuB.80.82 read from T0187.t2k.frag # adding 1jmuB to template set 1jmuB:# found chain 1jmuB in template set T0187 80 :YQYLKNNDS 1jmuB 125 :LDKLRVLSV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70145 Ang Q3.OE1 and D9.CA Number of specific fragments= 1 total=1432 # 1bsvA.80.81 read from T0187.t2k.frag # found chain 1bsvA in template set T0187 80 :YQYLKNNDS 1bsvA 82 :QNMMIESNI 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 # 1e6uA.81.82 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 81 :QYLKNNDSY 1e6uA 83 :NMMIESNII Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1434 # 1dv1A.81.82 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 81 :QYLKNNDSY 1dv1A 83 :GFLSENANF Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47604 Ang G1.C and K5.NZ other bump:2.63648 Ang G1.C and K5.CE other bump:2.66039 Ang G1.C and K5.CD self-bump: 1.31625 Ang Y3.CA and Y3.CB neighbor-bump: 2.37761 Ang Q2.CB and Y3.N self-bump: 2.14684 Ang Q2.CB and Q2.C self-bump: 1.23885 Ang Q2.CA and Q2.CB Number of specific fragments= 1 total=1435 # 1l1sA.81.84 read from T0187.t2k.frag # found chain 1l1sA in template set T0187 81 :QYLKNNDSY 1l1sA 85 :DLLEGVDVV 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 # 1i6wA.81.84 read from T0187.t2k.frag # found chain 1i6wA in training set T0187 81 :QYLKNNDSY 1i6wA 85 :YYIKNLDGG Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.73512 Ang Y3.CD1 and S9.OG other bump:1.65341 Ang Y3.CG and S9.OG other bump:1.75805 Ang Y3.CD2 and S9.OG other bump:1.97091 Ang Y3.CE2 and S9.OG other bump:1.9489 Ang Y3.CE1 and S9.OG other bump:2.0526 Ang Y3.CZ and S9.OG other bump:3.09934 Ang Y3.CD1 and S9.CB other bump:2.83977 Ang Y3.CG and S9.CB other bump:2.62804 Ang Y3.CD2 and S9.CB other bump:2.73147 Ang Y3.CE2 and S9.CB other bump:2.89726 Ang Y3.C and S9.CB other bump:3.04132 Ang L4.N and S9.CB other bump:3.04895 Ang L4.CA and S9.CB other bump:2.59919 Ang N7.OD1 and S9.CB other bump:2.01262 Ang N7.OD1 and S9.N other bump:1.24158 Ang Y3.O and N7.OD1 other bump:2.3814 Ang Y3.C and N7.OD1 other bump:2.72561 Ang Y3.CD1 and N7.ND2 other bump:1.19027 Ang Y3.CA and N7.ND2 other bump:2.22269 Ang Y3.CB and N7.ND2 other bump:2.51491 Ang Y3.N and N7.ND2 other bump:1.52644 Ang Y3.O and N7.ND2 other bump:1.32932 Ang Y3.C and N7.ND2 other bump:2.52148 Ang Y3.CA and N7.CG other bump:1.24696 Ang Y3.O and N7.CG other bump:2.06717 Ang Y3.C and N7.CG other bump:2.64784 Ang Y3.O and N7.CB Number of specific fragments= 1 total=1437 # 1bncB.81.82 read from T0187.t2k.frag # adding 1bncB to template set 1bncB:# found chain 1bncB in template set T0187 81 :QYLKNNDSY 1bncB 83 :GFLSENANF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.12052 Ang G1.O and K5.NZ other bump:1.88808 Ang G1.C and K5.NZ other bump:2.33615 Ang G1.O and K5.CE other bump:2.20101 Ang G1.C and K5.CE other bump:2.85888 Ang Q2.N and K5.CD other bump:2.30943 Ang G1.C and K5.CD neighbor-bump: 2.46376 Ang Q2.O and Y3.CD1 self-bump: 1.2189 Ang Y3.CA and Y3.CB Number of specific fragments= 1 total=1438 # 1jmuB.81.83 read from T0187.t2k.frag # found chain 1jmuB in template set T0187 81 :QYLKNNDSY 1jmuB 126 :DKLRVLSVS 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 # 1e6uA.82.83 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 82 :YLKNNDSYN 1e6uA 84 :MMIESNIIH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43476 Ang N5.O and Y9.CD1 Number of specific fragments= 1 total=1440 # 1dv1A.82.83 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 82 :YLKNNDSYN 1dv1A 84 :FLSENANFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.31625 Ang Y2.CA and Y2.CB Number of specific fragments= 1 total=1441 # 1bncB.82.83 read from T0187.t2k.frag # found chain 1bncB in template set T0187 82 :YLKNNDSYN 1bncB 84 :FLSENANFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.21029 Ang Y2.CB and Y2.C self-bump: 1.26615 Ang Y2.CA and Y2.CB Number of specific fragments= 1 total=1442 # 1bncA.82.83 read from T0187.t2k.frag # adding 1bncA to template set 1bncA:# found chain 1bncA in template set T0187 82 :YLKNNDSYN 1bncA 84 :FLSENANFA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.21829 Ang Y2.CB and Y2.C self-bump: 1.28571 Ang Y2.CA and Y2.CB neighbor-bump: 2.31028 Ang G1.O and Y2.CA Number of specific fragments= 1 total=1443 # 1i6wA.82.85 read from T0187.t2k.frag # found chain 1i6wA in training set T0187 82 :YLKNNDSYN 1i6wA 86 :YIKNLDGGN Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.914248 Ang K4.O and Y9.OH other bump:2.33148 Ang K4.CA and Y9.OH other bump:1.6309 Ang K4.C and Y9.OH other bump:2.27285 Ang K4.O and Y9.CZ other bump:2.12415 Ang L3.O and Y9.CZ other bump:3.0576 Ang L3.C and Y9.CZ other bump:2.83295 Ang K4.CA and Y9.CZ other bump:2.65789 Ang K4.C and Y9.CZ other bump:2.84351 Ang L3.O and Y9.CE2 other bump:1.46363 Ang L3.O and Y9.CE1 other bump:2.39488 Ang L3.C and Y9.CE1 other bump:2.8839 Ang K4.N and Y9.CE1 other bump:2.69626 Ang K4.CA and Y9.CE1 other bump:3.24288 Ang K4.C and Y9.CE1 other bump:1.82138 Ang L3.O and Y9.CD1 other bump:1.9489 Ang Y2.CE1 and S8.OG other bump:2.0526 Ang Y2.CZ and S8.OG other bump:1.65341 Ang Y2.CG and S8.OG other bump:1.73512 Ang Y2.CD1 and S8.OG other bump:1.75805 Ang Y2.CD2 and S8.OG other bump:1.97091 Ang Y2.CE2 and S8.OG other bump:2.83977 Ang Y2.CG and S8.CB other bump:3.09934 Ang Y2.CD1 and S8.CB other bump:2.62804 Ang Y2.CD2 and S8.CB other bump:2.89726 Ang Y2.C and S8.CB other bump:3.04132 Ang L3.N and S8.CB other bump:2.73147 Ang Y2.CE2 and S8.CB other bump:3.04895 Ang L3.CA and S8.CB other bump:2.59919 Ang N6.OD1 and S8.CB other bump:2.01262 Ang N6.OD1 and S8.N other bump:1.24158 Ang Y2.O and N6.OD1 other bump:2.3814 Ang Y2.C and N6.OD1 other bump:1.19027 Ang Y2.CA and N6.ND2 other bump:2.22269 Ang Y2.CB and N6.ND2 other bump:2.72561 Ang Y2.CD1 and N6.ND2 other bump:1.52644 Ang Y2.O and N6.ND2 other bump:1.32932 Ang Y2.C and N6.ND2 other bump:2.51491 Ang Y2.N and N6.ND2 other bump:2.52148 Ang Y2.CA and N6.CG other bump:1.24696 Ang Y2.O and N6.CG other bump:2.06717 Ang Y2.C and N6.CG other bump:2.64784 Ang Y2.O and N6.CB Number of specific fragments= 1 total=1444 # 1jmuB.82.84 read from T0187.t2k.frag # found chain 1jmuB in template set T0187 82 :YLKNNDSYN 1jmuB 127 :KLRVLSVSP 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 # 1dv1A.83.84 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 83 :LKNNDSYNA 1dv1A 85 :LSENANFAE 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 # 1e6uA.83.84 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 83 :LKNNDSYNA 1e6uA 85 :MIESNIIHA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43476 Ang N4.O and Y8.CD1 Number of specific fragments= 1 total=1447 # 1bncB.83.84 read from T0187.t2k.frag # found chain 1bncB in template set T0187 83 :LKNNDSYNA 1bncB 85 :LSENANFAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1448 # 1bncA.83.84 read from T0187.t2k.frag # found chain 1bncA in template set T0187 83 :LKNNDSYNA 1bncA 85 :LSENANFAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1449 # 1bsvA.83.84 read from T0187.t2k.frag # found chain 1bsvA in template set T0187 83 :LKNNDSYNA 1bsvA 85 :MIESNIIHA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1450 # 1gfsA.83.84 read from T0187.t2k.frag # found chain 1gfsA in template set T0187 83 :LKNNDSYNA 1gfsA 85 :MIESNIIHA 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 # 1dv1A.84.85 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 84 :KNNDSYNAL 1dv1A 86 :SENANFAEQ 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 # 1bncB.84.85 read from T0187.t2k.frag # found chain 1bncB in template set T0187 84 :KNNDSYNAL 1bncB 86 :SENANFAEQ 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 # 1e6uA.84.85 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 84 :KNNDSYNAL 1e6uA 86 :IESNIIHAA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43476 Ang N3.O and Y7.CD1 Number of specific fragments= 1 total=1454 # 1bncA.84.85 read from T0187.t2k.frag # found chain 1bncA in template set T0187 84 :KNNDSYNAL 1bncA 86 :SENANFAEQ 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 # 2gbp.84.90 read from T0187.t2k.frag # adding 2gbp to template set 2gbp:# found chain 2gbp in template set T0187 84 :KNNDSYNAL 2gbp 91 :NKEPSRKAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1456 # 1fs1B.84.86 read from T0187.t2k.frag # adding 1fs1B to template set 1fs1B:# found chain 1fs1B in template set T0187 84 :KNNDSYNAL 1fs1B 93 :LKVDQGTLF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67469 Ang K2.C and N4.OD1 Number of specific fragments= 1 total=1457 # 1dv1A.85.86 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 85 :NNDSYNALK 1dv1A 87 :ENANFAEQV 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 # 1bncB.85.86 read from T0187.t2k.frag # found chain 1bncB in template set T0187 85 :NNDSYNALK 1bncB 87 :ENANFAEQV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1459 # 2gbp.85.91 read from T0187.t2k.frag # found chain 2gbp in template set T0187 85 :NNDSYNALK 2gbp 92 :KEPSRKALD Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59052 Ang Y6.CD2 and K10.NZ other bump:2.43397 Ang Y6.CE1 and K10.NZ other bump:1.41088 Ang Y6.CE2 and K10.NZ other bump:1.24979 Ang Y6.CZ and K10.NZ other bump:1.57415 Ang Y6.OH and K10.NZ other bump:2.08559 Ang Y6.CE2 and K10.CE other bump:2.5973 Ang Y6.CZ and K10.CE other bump:2.5409 Ang Y6.OH and K10.CE Number of specific fragments= 1 total=1460 # 1e6uA.85.86 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 85 :NNDSYNALK 1e6uA 87 :ESNIIHAAH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43476 Ang N2.O and Y6.CD1 Number of specific fragments= 1 total=1461 # 1gca.85.91 read from T0187.t2k.frag # found chain 1gca in training set T0187 85 :NNDSYNALK 1gca 92 :KEPSRKALD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.07921 Ang Y6.CZ and K10.NZ other bump:1.87454 Ang Y6.CD2 and K10.NZ other bump:0.91024 Ang Y6.CE2 and K10.NZ other bump:2.43346 Ang Y6.CE1 and K10.CE other bump:1.3568 Ang Y6.CZ and K10.CE other bump:2.89681 Ang Y6.CG and K10.CE other bump:2.04113 Ang Y6.CD2 and K10.CE other bump:0.983573 Ang Y6.CE2 and K10.CE other bump:2.08605 Ang Y6.OH and K10.CE other bump:2.81144 Ang Y6.CZ and K10.CD other bump:2.87648 Ang Y6.CD2 and K10.CD other bump:2.29444 Ang Y6.CE2 and K10.CD Number of specific fragments= 1 total=1462 # 1bncA.85.86 read from T0187.t2k.frag # found chain 1bncA in template set T0187 85 :NNDSYNALK 1bncA 87 :ENANFAEQV 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 # 1dv1A.86.87 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 86 :NDSYNALKK 1dv1A 88 :NANFAEQVE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1464 # 2gbp.86.92 read from T0187.t2k.frag # found chain 2gbp in template set T0187 86 :NDSYNALKK 2gbp 93 :EPSRKALDS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51593 Ang N6.OD1 and K10.CE other bump:2.41671 Ang Y5.CD2 and K9.CE other bump:1.93964 Ang Y5.CE2 and K9.CE other bump:2.61596 Ang Y5.CD2 and K9.CD other bump:2.71288 Ang Y5.CE2 and K9.CD neighbor-bump: 2.23374 Ang N2.OD1 and D3.O Number of specific fragments= 1 total=1465 # 1gca.86.92 read from T0187.t2k.frag # found chain 1gca in training set T0187 86 :NDSYNALKK 1gca 93 :EPSRKALDS Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.33013 Ang Y5.CD1 and K9.NZ other bump:2.0039 Ang Y5.CD2 and K9.NZ other bump:1.60082 Ang Y5.CE1 and K9.NZ other bump:1.0308 Ang Y5.CE2 and K9.NZ other bump:0.592421 Ang Y5.CZ and K9.NZ other bump:1.77386 Ang Y5.OH and K9.NZ other bump:2.70566 Ang Y5.CD2 and K9.CE other bump:1.51826 Ang Y5.CE2 and K9.CE other bump:1.77279 Ang Y5.CZ and K9.CE other bump:1.95558 Ang Y5.OH and K9.CE other bump:2.97129 Ang Y5.CD2 and K9.CD other bump:2.40004 Ang Y5.CE2 and K9.CD other bump:2.98157 Ang Y5.CZ and K9.CD Number of specific fragments= 1 total=1466 # 1bncB.86.87 read from T0187.t2k.frag # found chain 1bncB in template set T0187 86 :NDSYNALKK 1bncB 88 :NANFAEQVE 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 # 1e6uA.86.87 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 86 :NDSYNALKK 1e6uA 88 :SNIIHAAHQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43476 Ang G1.O and Y5.CD1 Number of specific fragments= 1 total=1468 # 1bncA.86.87 read from T0187.t2k.frag # found chain 1bncA in template set T0187 86 :NDSYNALKK 1bncA 88 :NANFAEQVE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1469 # 1dv1A.87.88 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 87 :DSYNALKKS 1dv1A 89 :ANFAEQVER 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 # 2gbp.87.93 read from T0187.t2k.frag # found chain 2gbp in template set T0187 87 :DSYNALKKS 2gbp 94 :PSRKALDSY Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51593 Ang N5.OD1 and K9.CE other bump:2.41671 Ang Y4.CD2 and K8.CE other bump:1.93964 Ang Y4.CE2 and K8.CE other bump:2.61596 Ang Y4.CD2 and K8.CD other bump:2.71288 Ang Y4.CE2 and K8.CD Number of specific fragments= 1 total=1471 # 1gca.87.93 read from T0187.t2k.frag # found chain 1gca in training set T0187 87 :DSYNALKKS 1gca 94 :PSRKALDSY Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.0039 Ang Y4.CD2 and K8.NZ other bump:1.60082 Ang Y4.CE1 and K8.NZ other bump:1.0308 Ang Y4.CE2 and K8.NZ other bump:0.592421 Ang Y4.CZ and K8.NZ other bump:1.77386 Ang Y4.OH and K8.NZ other bump:2.33013 Ang Y4.CD1 and K8.NZ other bump:2.70566 Ang Y4.CD2 and K8.CE other bump:1.51826 Ang Y4.CE2 and K8.CE other bump:1.77279 Ang Y4.CZ and K8.CE other bump:1.95558 Ang Y4.OH and K8.CE other bump:2.97129 Ang Y4.CD2 and K8.CD other bump:2.40004 Ang Y4.CE2 and K8.CD other bump:2.98157 Ang Y4.CZ and K8.CD Number of specific fragments= 1 total=1472 # 1bncB.87.88 read from T0187.t2k.frag # found chain 1bncB in template set T0187 87 :DSYNALKKS 1bncB 89 :ANFAEQVER Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1473 # 1e6uA.87.88 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 87 :DSYNALKKS 1e6uA 89 :NIIHAAHQN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1474 # 1bncA.87.88 read from T0187.t2k.frag # found chain 1bncA in template set T0187 87 :DSYNALKKS 1bncA 89 :ANFAEQVER Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1475 # 1dv1A.88.89 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 88 :SYNALKKSG 1dv1A 90 :NFAEQVERS 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 # 2gbp.88.94 read from T0187.t2k.frag # found chain 2gbp in template set T0187 88 :SYNALKKSG 2gbp 95 :SRKALDSYD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51593 Ang N4.OD1 and K8.CE other bump:2.41671 Ang Y3.CD2 and K7.CE other bump:1.93964 Ang Y3.CE2 and K7.CE other bump:2.61596 Ang Y3.CD2 and K7.CD other bump:2.71288 Ang Y3.CE2 and K7.CD Number of specific fragments= 1 total=1477 # 1gca.88.94 read from T0187.t2k.frag # found chain 1gca in training set T0187 88 :SYNALKKSG 1gca 95 :SRKALDSYD Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.33013 Ang Y3.CD1 and K7.NZ other bump:2.0039 Ang Y3.CD2 and K7.NZ other bump:1.60082 Ang Y3.CE1 and K7.NZ other bump:1.0308 Ang Y3.CE2 and K7.NZ other bump:0.592421 Ang Y3.CZ and K7.NZ other bump:1.77386 Ang Y3.OH and K7.NZ other bump:2.70566 Ang Y3.CD2 and K7.CE other bump:1.51826 Ang Y3.CE2 and K7.CE other bump:1.77279 Ang Y3.CZ and K7.CE other bump:1.95558 Ang Y3.OH and K7.CE other bump:2.97129 Ang Y3.CD2 and K7.CD other bump:2.40004 Ang Y3.CE2 and K7.CD other bump:2.98157 Ang Y3.CZ and K7.CD Number of specific fragments= 1 total=1478 # 1bncB.88.89 read from T0187.t2k.frag # found chain 1bncB in template set T0187 88 :SYNALKKSG 1bncB 90 :NFAEQVERS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1479 # 1e6uA.88.89 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 88 :SYNALKKSG 1e6uA 90 :IIHAAHQND Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1480 # 1bncA.88.89 read from T0187.t2k.frag # found chain 1bncA in template set T0187 88 :SYNALKKSG 1bncA 90 :NFAEQVERS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1481 # 1dv1A.89.90 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 89 :YNALKKSGA 1dv1A 91 :FAEQVERSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1482 # 1bncB.89.90 read from T0187.t2k.frag # found chain 1bncB in template set T0187 89 :YNALKKSGA 1bncB 91 :FAEQVERSG 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 # 1bncA.89.90 read from T0187.t2k.frag # found chain 1bncA in template set T0187 89 :YNALKKSGA 1bncA 91 :FAEQVERSG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.72137 Ang G9.O and A10.CB neighbor-bump: 2.26347 Ang G9.C and A10.CB Number of specific fragments= 1 total=1484 # 2gbp.89.95 read from T0187.t2k.frag # found chain 2gbp in template set T0187 89 :YNALKKSGA 2gbp 96 :RKALDSYDK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51593 Ang N3.OD1 and K7.CE other bump:1.93964 Ang Y2.CE2 and K6.CE other bump:2.41671 Ang Y2.CD2 and K6.CE other bump:2.71288 Ang Y2.CE2 and K6.CD other bump:2.61596 Ang Y2.CD2 and K6.CD Number of specific fragments= 1 total=1485 # 1gca.89.95 read from T0187.t2k.frag # found chain 1gca in training set T0187 89 :YNALKKSGA 1gca 96 :RKALDSYDK Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.00388 Ang Y2.CD2 and K6.NZ other bump:1.60085 Ang Y2.CE1 and K6.NZ other bump:1.03078 Ang Y2.CE2 and K6.NZ other bump:0.592433 Ang Y2.CZ and K6.NZ other bump:1.77386 Ang Y2.OH and K6.NZ other bump:2.33014 Ang Y2.CD1 and K6.NZ other bump:2.70566 Ang Y2.CD2 and K6.CE other bump:1.51826 Ang Y2.CE2 and K6.CE other bump:1.77281 Ang Y2.CZ and K6.CE other bump:1.9556 Ang Y2.OH and K6.CE other bump:2.97129 Ang Y2.CD2 and K6.CD other bump:2.40004 Ang Y2.CE2 and K6.CD other bump:2.98158 Ang Y2.CZ and K6.CD Number of specific fragments= 1 total=1486 # 1e6uA.89.90 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 89 :YNALKKSGA 1e6uA 91 :IHAAHQNDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1487 # 1dv1A.90.91 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 90 :NALKKSGAL 1dv1A 92 :AEQVERSGF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.80363 Ang G8.O and A9.CB neighbor-bump: 2.29565 Ang G8.C and A9.CB Number of specific fragments= 1 total=1488 # 1bncB.90.91 read from T0187.t2k.frag # found chain 1bncB in template set T0187 90 :NALKKSGAL 1bncB 92 :AEQVERSGF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.58652 Ang G8.C and A9.CB Number of specific fragments= 1 total=1489 # 1bncA.90.91 read from T0187.t2k.frag # found chain 1bncA in template set T0187 90 :NALKKSGAL 1bncA 92 :AEQVERSGF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.72137 Ang G8.O and A9.CB neighbor-bump: 2.26346 Ang G8.C and A9.CB Number of specific fragments= 1 total=1490 # 2gbp.90.96 read from T0187.t2k.frag # found chain 2gbp in template set T0187 90 :NALKKSGAL 2gbp 97 :KALDSYDKA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39642 Ang S7.OG and L10.CD1 other bump:2.57776 Ang S7.OG and L10.CG other bump:2.51593 Ang N2.OD1 and K6.CE Number of specific fragments= 1 total=1491 # 1gca.90.96 read from T0187.t2k.frag # found chain 1gca in training set T0187 90 :NALKKSGAL 1gca 97 :KALDSYDKA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45411 Ang S7.OG and L10.CD1 other bump:2.64706 Ang S7.OG and L10.CG Number of specific fragments= 1 total=1492 # 1e6uA.90.93 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 90 :NALKKSGAL 1e6uA 94 :AHQNDVNKL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15997 Ang N2.OD1 and S7.O other bump:2.01435 Ang N2.ND2 and S7.OG other bump:2.52175 Ang N2.OD1 and S7.CB other bump:2.08551 Ang N2.CG and S7.CB other bump:1.53328 Ang N2.ND2 and S7.CB Number of specific fragments= 1 total=1493 # 1dv1A.91.92 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 91 :ALKKSGALL 1dv1A 93 :EQVERSGFI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.80363 Ang G7.O and A8.CB neighbor-bump: 2.29565 Ang G7.C and A8.CB Number of specific fragments= 1 total=1494 # 1bncB.91.92 read from T0187.t2k.frag # found chain 1bncB in template set T0187 91 :ALKKSGALL 1bncB 93 :EQVERSGFI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.23334 Ang K4.CD and G11.CA other bump:2.1302 Ang K4.NZ and L10.C other bump:1.44402 Ang K4.NZ and L10.O neighbor-bump: 2.58652 Ang G7.C and A8.CB Number of specific fragments= 1 total=1495 # 1bncA.91.92 read from T0187.t2k.frag # found chain 1bncA in template set T0187 91 :ALKKSGALL 1bncA 93 :EQVERSGFI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.72137 Ang G7.O and A8.CB neighbor-bump: 2.26346 Ang G7.C and A8.CB Number of specific fragments= 1 total=1496 # 1e6uA.91.94 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 91 :ALKKSGALL 1e6uA 95 :HQNDVNKLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1497 # 1gfsA.91.94 read from T0187.t2k.frag # found chain 1gfsA in template set T0187 91 :ALKKSGALL 1gfsA 95 :HQNDVNKLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1498 # 1bsvA.91.94 read from T0187.t2k.frag # found chain 1bsvA in template set T0187 91 :ALKKSGALL 1bsvA 95 :HQNDVNKLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1499 # 1dv1A.92.93 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 92 :LKKSGALLI 1dv1A 94 :QVERSGFIF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94448 Ang K3.CG and I10.CG2 other bump:2.71908 Ang K3.CD and I10.CG2 neighbor-bump: 2.29565 Ang G6.C and A7.CB neighbor-bump: 1.80363 Ang G6.O and A7.CB Number of specific fragments= 1 total=1500 # 1bncB.92.93 read from T0187.t2k.frag # found chain 1bncB in template set T0187 92 :LKKSGALLI 1bncB 94 :QVERSGFIF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.17547 Ang K3.CD and I10.CB other bump:3.23334 Ang K3.CD and I10.CA other bump:2.1302 Ang K3.NZ and L9.C other bump:1.44402 Ang K3.NZ and L9.O neighbor-bump: 2.58652 Ang G6.C and A7.CB Number of specific fragments= 1 total=1501 # 1bncA.92.93 read from T0187.t2k.frag # found chain 1bncA in template set T0187 92 :LKKSGALLI 1bncA 94 :QVERSGFIF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21367 Ang K4.CE and I10.CG2 neighbor-bump: 1.72137 Ang G6.O and A7.CB neighbor-bump: 2.26346 Ang G6.C and A7.CB Number of specific fragments= 1 total=1502 # 1tmy.92.94 read from T0187.t2k.frag # found chain 1tmy in training set T0187 92 :LKKSGALLI 1tmy 95 :KAGAKDFIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1503 # 1e6uA.92.95 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 92 :LKKSGALLI 1e6uA 96 :QNDVNKLLF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1504 # 1gfsA.92.95 read from T0187.t2k.frag # found chain 1gfsA in template set T0187 92 :LKKSGALLI 1gfsA 96 :QNDVNKLLF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1505 # 1bncB.93.94 read from T0187.t2k.frag # found chain 1bncB in template set T0187 93 :KKSGALLIT 1bncB 95 :VERSGFIFI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.58652 Ang G5.C and A6.CB Number of specific fragments= 1 total=1506 # 1dv1A.93.94 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 93 :KKSGALLIT 1dv1A 95 :VERSGFIFI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84272 Ang K2.CB and I9.CG2 other bump:2.76924 Ang K2.CG and I9.CG2 other bump:2.81521 Ang K2.CD and I9.CG2 neighbor-bump: 1.80363 Ang G5.O and A6.CB neighbor-bump: 2.29565 Ang G5.C and A6.CB Number of specific fragments= 1 total=1507 # 1bncA.93.94 read from T0187.t2k.frag # found chain 1bncA in template set T0187 93 :KKSGALLIT 1bncA 95 :VERSGFIFI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21366 Ang K3.CE and I9.CG2 neighbor-bump: 1.72137 Ang G5.O and A6.CB neighbor-bump: 2.26346 Ang G5.C and A6.CB Number of specific fragments= 1 total=1508 # 1tmy.93.95 read from T0187.t2k.frag # found chain 1tmy in training set T0187 93 :KKSGALLIT 1tmy 96 :AGAKDFIVK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1509 # 1e6uA.93.96 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 93 :KKSGALLIT 1e6uA 97 :NDVNKLLFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1510 # 1gfsA.93.96 read from T0187.t2k.frag # found chain 1gfsA in template set T0187 93 :KKSGALLIT 1gfsA 97 :NDVNKLLFL 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 # 1bncB.94.95 read from T0187.t2k.frag # found chain 1bncB in template set T0187 94 :KSGALLITG 1bncB 96 :ERSGFIFIG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.58652 Ang G4.C and A5.CB Number of specific fragments= 1 total=1512 # 1dv1A.94.95 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 94 :KSGALLITG 1dv1A 96 :ERSGFIFIG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36614 Ang T9.CA and T9.CB neighbor-bump: 1.80363 Ang G4.O and A5.CB neighbor-bump: 2.29565 Ang G4.C and A5.CB Number of specific fragments= 1 total=1513 # 1bncA.94.95 read from T0187.t2k.frag # found chain 1bncA in template set T0187 94 :KSGALLITG 1bncA 96 :ERSGFIFIG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.72137 Ang G4.O and A5.CB neighbor-bump: 2.26346 Ang G4.C and A5.CB Number of specific fragments= 1 total=1514 # 1tmy.94.96 read from T0187.t2k.frag # found chain 1tmy in training set T0187 94 :KSGALLITG 1tmy 97 :GAKDFIVKP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.95694 Ang T9.CG2 and G10.CA Number of specific fragments= 1 total=1515 # 1e6uA.94.97 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 94 :KSGALLITG 1e6uA 98 :DVNKLLFLG 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 # 1gfsA.94.97 read from T0187.t2k.frag # found chain 1gfsA in template set T0187 94 :KSGALLITG 1gfsA 98 :DVNKLLFLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1517 # 1bncB.95.96 read from T0187.t2k.frag # found chain 1bncB in template set T0187 95 :SGALLITGP 1bncB 97 :RSGFIFIGP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.58652 Ang G3.C and A4.CB Number of specific fragments= 1 total=1518 # 1dv1A.95.96 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 95 :SGALLITGP 1dv1A 97 :RSGFIFIGP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36614 Ang T8.CA and T8.CB neighbor-bump: 1.80363 Ang G3.O and A4.CB neighbor-bump: 2.29565 Ang G3.C and A4.CB Number of specific fragments= 1 total=1519 # 1bncA.95.96 read from T0187.t2k.frag # found chain 1bncA in template set T0187 95 :SGALLITGP 1bncA 97 :RSGFIFIGP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.72137 Ang G3.O and A4.CB neighbor-bump: 2.26346 Ang G3.C and A4.CB Number of specific fragments= 1 total=1520 # 1tmy.95.97 read from T0187.t2k.frag # found chain 1tmy in training set T0187 95 :SGALLITGP 1tmy 98 :AKDFIVKPF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.95694 Ang T8.CG2 and G9.CA Number of specific fragments= 1 total=1521 # 1e6uA.95.98 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 95 :SGALLITGP 1e6uA 99 :VNKLLFLGS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26964 Ang G9.CA and P10.CD neighbor-bump: 2.41384 Ang G9.O and P10.CD neighbor-bump: 1.62595 Ang G9.C and P10.CD Number of specific fragments= 1 total=1522 # 1gfsA.95.98 read from T0187.t2k.frag # found chain 1gfsA in template set T0187 95 :SGALLITGP 1gfsA 99 :VNKLLFLGS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.29106 Ang G9.CA and P10.CD neighbor-bump: 1.77029 Ang G9.C and P10.CD Number of specific fragments= 1 total=1523 # 1bncB.96.97 read from T0187.t2k.frag # found chain 1bncB in template set T0187 96 :GALLITGPT 1bncB 98 :SGFIFIGPK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.58652 Ang G2.C and A3.CB Number of specific fragments= 1 total=1524 # 1dv1A.96.97 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 96 :GALLITGPT 1dv1A 98 :SGFIFIGPK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36614 Ang T7.CA and T7.CB neighbor-bump: 1.80363 Ang G2.O and A3.CB neighbor-bump: 2.29565 Ang G2.C and A3.CB Number of specific fragments= 1 total=1525 # 1bncA.96.97 read from T0187.t2k.frag # found chain 1bncA in template set T0187 96 :GALLITGPT 1bncA 98 :SGFIFIGPK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.72137 Ang G2.O and A3.CB neighbor-bump: 2.26346 Ang G2.C and A3.CB Number of specific fragments= 1 total=1526 # 1tmy.96.98 read from T0187.t2k.frag # found chain 1tmy in training set T0187 96 :GALLITGPT 1tmy 99 :KDFIVKPFQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.95694 Ang T7.CG2 and G8.CA Number of specific fragments= 1 total=1527 # 1e6uA.96.99 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 96 :GALLITGPT 1e6uA 100 :NKLLFLGSS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26964 Ang G8.CA and P9.CD neighbor-bump: 1.62595 Ang G8.C and P9.CD neighbor-bump: 2.41383 Ang G8.O and P9.CD Number of specific fragments= 1 total=1528 # 1gfsA.96.99 read from T0187.t2k.frag # found chain 1gfsA in template set T0187 96 :GALLITGPT 1gfsA 100 :NKLLFLGSS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.29106 Ang G8.CA and P9.CD neighbor-bump: 1.77028 Ang G8.C and P9.CD Number of specific fragments= 1 total=1529 # 1bncB.97.98 read from T0187.t2k.frag # found chain 1bncB in template set T0187 97 :ALLITGPTG 1bncB 99 :GFIFIGPKA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.58653 Ang G1.C and A2.CB Number of specific fragments= 1 total=1530 # 1dv1A.97.98 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 97 :ALLITGPTG 1dv1A 99 :GFIFIGPKA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36614 Ang T6.CA and T6.CB neighbor-bump: 1.80362 Ang G1.O and A2.CB neighbor-bump: 2.29565 Ang G1.C and A2.CB Number of specific fragments= 1 total=1531 # 1bncA.97.98 read from T0187.t2k.frag # found chain 1bncA in template set T0187 97 :ALLITGPTG 1bncA 99 :GFIFIGPKA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.72136 Ang G1.O and A2.CB neighbor-bump: 2.26346 Ang G1.C and A2.CB Number of specific fragments= 1 total=1532 # 1tmy.97.99 read from T0187.t2k.frag # found chain 1tmy in training set T0187 97 :ALLITGPTG 1tmy 100 :DFIVKPFQP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.95694 Ang T6.CG2 and G7.CA Number of specific fragments= 1 total=1533 # 1e6uA.97.100 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 97 :ALLITGPTG 1e6uA 101 :KLLFLGSSC Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26964 Ang G7.CA and P8.CD neighbor-bump: 1.62595 Ang G7.C and P8.CD neighbor-bump: 2.41383 Ang G7.O and P8.CD Number of specific fragments= 1 total=1534 # 1gfsA.97.100 read from T0187.t2k.frag # found chain 1gfsA in template set T0187 97 :ALLITGPTG 1gfsA 101 :KLLFLGSSC Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.29106 Ang G7.CA and P8.CD neighbor-bump: 1.77028 Ang G7.C and P8.CD Number of specific fragments= 1 total=1535 # 1bncB.98.99 read from T0187.t2k.frag # found chain 1bncB in template set T0187 98 :LLITGPTGT 1bncB 100 :FIFIGPKAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1536 # 1dv1A.98.99 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 98 :LLITGPTGT 1dv1A 100 :FIFIGPKAE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36614 Ang T5.CA and T5.CB Number of specific fragments= 1 total=1537 # 1bncA.98.99 read from T0187.t2k.frag # found chain 1bncA in template set T0187 98 :LLITGPTGT 1bncA 100 :FIFIGPKAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1538 # 1tmy.98.100 read from T0187.t2k.frag # found chain 1tmy in training set T0187 98 :LLITGPTGT 1tmy 101 :FIVKPFQPS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.95694 Ang T5.CG2 and G6.CA Number of specific fragments= 1 total=1539 # 1e6uA.98.101 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 98 :LLITGPTGT 1e6uA 102 :LLFLGSSCI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26964 Ang G6.CA and P7.CD neighbor-bump: 1.62595 Ang G6.C and P7.CD neighbor-bump: 2.41383 Ang G6.O and P7.CD Number of specific fragments= 1 total=1540 # 1gfsA.98.101 read from T0187.t2k.frag # found chain 1gfsA in template set T0187 98 :LLITGPTGT 1gfsA 102 :LLFLGSSCI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.77028 Ang G6.C and P7.CD neighbor-bump: 2.29106 Ang G6.CA and P7.CD Number of specific fragments= 1 total=1541 # 1bncB.99.100 read from T0187.t2k.frag # found chain 1bncB in template set T0187 99 :LITGPTGTN 1bncB 101 :IFIGPKAET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1542 # 1dv1A.99.100 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 99 :LITGPTGTN 1dv1A 101 :IFIGPKAET Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36614 Ang T4.CA and T4.CB Number of specific fragments= 1 total=1543 # 1bncA.99.100 read from T0187.t2k.frag # found chain 1bncA in template set T0187 99 :LITGPTGTN 1bncA 101 :IFIGPKAET 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 # 1tmy.99.101 read from T0187.t2k.frag # found chain 1tmy in training set T0187 99 :LITGPTGTN 1tmy 102 :IVKPFQPSR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48299 Ang T7.OG1 and N10.ND2 neighbor-bump: 2.95694 Ang T4.CG2 and G5.CA Number of specific fragments= 1 total=1545 # 1e6uA.99.102 read from T0187.t2k.frag # found chain 1e6uA in template set T0187 99 :LITGPTGTN 1e6uA 103 :LFLGSSCIY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26964 Ang G5.CA and P6.CD neighbor-bump: 1.62595 Ang G5.C and P6.CD neighbor-bump: 2.41383 Ang G5.O and P6.CD Number of specific fragments= 1 total=1546 # 1d7kA.99.101 read from T0187.t2k.frag # found chain 1d7kA in template set T0187 99 :LITGPTGTN 1d7kA 108 :IIYANPCKQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62215 Ang G5.N and P6.CD other bump:2.7887 Ang T4.C and P6.CD Number of specific fragments= 1 total=1547 # 1tmy.100.102 read from T0187.t2k.frag # found chain 1tmy in training set T0187 100 :ITGPTGTNV 1tmy 103 :VKPFQPSRV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.483 Ang T6.OG1 and N9.ND2 neighbor-bump: 2.95694 Ang T3.CG2 and G4.CA Number of specific fragments= 1 total=1548 # 1bncB.100.101 read from T0187.t2k.frag # found chain 1bncB in template set T0187 100 :ITGPTGTNV 1bncB 102 :FIGPKAETI 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 # 1dv1A.100.101 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 100 :ITGPTGTNV 1dv1A 102 :FIGPKAETI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36615 Ang T3.CA and T3.CB Number of specific fragments= 1 total=1550 # 1d7kA.100.102 read from T0187.t2k.frag # found chain 1d7kA in template set T0187 100 :ITGPTGTNV 1d7kA 109 :IYANPCKQV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62215 Ang G4.N and P5.CD other bump:2.7887 Ang T3.C and P5.CD Number of specific fragments= 1 total=1551 # 1bncA.100.101 read from T0187.t2k.frag # found chain 1bncA in template set T0187 100 :ITGPTGTNV 1bncA 102 :FIGPKAETI 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 # 1id1A.100.102 read from T0187.t2k.frag # adding 1id1A to template set 1id1A:# found chain 1id1A in template set T0187 100 :ITGPTGTNV 1id1A 105 :LAVSDSKNL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.93859 Ang T6.OG1 and N9.ND2 self-bump: 1.38877 Ang P5.CA and P5.CB Number of specific fragments= 1 total=1553 # 1tmy.101.103 read from T0187.t2k.frag # found chain 1tmy in training set T0187 101 :TGPTGTNVN 1tmy 104 :KPFQPSRVV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.483 Ang T5.OG1 and N8.ND2 neighbor-bump: 3.05093 Ang T2.CG2 and G3.CA Number of specific fragments= 1 total=1554 # 1d7kA.101.103 read from T0187.t2k.frag # found chain 1d7kA in template set T0187 101 :TGPTGTNVN 1d7kA 110 :YANPCKQVS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62215 Ang G3.N and P4.CD other bump:2.7887 Ang T2.C and P4.CD Number of specific fragments= 1 total=1555 # 1id1A.101.103 read from T0187.t2k.frag # found chain 1id1A in template set T0187 101 :TGPTGTNVN 1id1A 106 :AVSDSKNLN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.93859 Ang T5.OG1 and N8.ND2 self-bump: 1.38877 Ang P4.CA and P4.CB Number of specific fragments= 1 total=1556 # 1bncB.101.102 read from T0187.t2k.frag # found chain 1bncB in template set T0187 101 :TGPTGTNVN 1bncB 103 :IGPKAETIR 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 # 1g0rA.101.104 read from T0187.t2k.frag # found chain 1g0rA in template set T0187 101 :TGPTGTNVN 1g0rA 105 :ALVLGDNLY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1558 # 1dv1A.101.102 read from T0187.t2k.frag # found chain 1dv1A in template set T0187 101 :TGPTGTNVN 1dv1A 103 :IGPKAETIR 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 # 1tmy.102.104 read from T0187.t2k.frag # found chain 1tmy in training set T0187 102 :GPTGTNVND 1tmy 105 :PFQPSRVVE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.483 Ang T4.OG1 and N7.ND2 Number of specific fragments= 1 total=1560 # 1id1A.102.104 read from T0187.t2k.frag # found chain 1id1A in template set T0187 102 :GPTGTNVND 1id1A 107 :VSDSKNLNK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.93859 Ang T4.OG1 and N7.ND2 self-bump: 1.38877 Ang P3.CA and P3.CB Number of specific fragments= 1 total=1561 # 1d7kA.102.104 read from T0187.t2k.frag # found chain 1d7kA in template set T0187 102 :GPTGTNVND 1d7kA 111 :ANPCKQVSQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45848 Ang N7.CG and N9.OD1 other bump:1.32995 Ang N7.OD1 and N9.OD1 other bump:2.32698 Ang N7.OD1 and N9.CG neighbor-bump: 2.62215 Ang G2.N and P3.CD other bump:2.7887 Ang G1.C and P3.CD Number of specific fragments= 1 total=1562 # 1im5A.102.104 read from T0187.t2k.frag # found chain 1im5A in training set T0187 102 :GPTGTNVND 1im5A 105 :GFEGTDLAK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5257 Ang T4.CG2 and G5.N self-bump: 1.29396 Ang T4.CA and T4.CB other bump:2.95572 Ang G1.C and P3.CD neighbor-bump: 2.43591 Ang G2.N and P3.CD self-bump: 1.3751 Ang P3.N and P3.CD Number of specific fragments= 1 total=1563 # 1g0rA.102.105 read from T0187.t2k.frag # found chain 1g0rA in template set T0187 102 :GPTGTNVND 1g0rA 106 :LVLGDNLYY 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 # 1fxoA.102.105 read from T0187.t2k.frag # found chain 1fxoA in template set T0187 102 :GPTGTNVND 1fxoA 106 :LVLGDNLYY 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 # 1tmy.103.105 read from T0187.t2k.frag # found chain 1tmy in training set T0187 103 :PTGTNVNDL 1tmy 106 :FQPSRVVEA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.483 Ang T3.OG1 and N6.ND2 Number of specific fragments= 1 total=1566 # 1id1A.103.105 read from T0187.t2k.frag # found chain 1id1A in template set T0187 103 :PTGTNVNDL 1id1A 108 :SDSKNLNKI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.9386 Ang T3.OG1 and N6.ND2 self-bump: 1.38877 Ang P2.CA and P2.CB Number of specific fragments= 1 total=1567 # 1d7kA.103.105 read from T0187.t2k.frag # found chain 1d7kA in template set T0187 103 :PTGTNVNDL 1d7kA 112 :NPCKQVSQI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41521 Ang T5.CG2 and L10.CD2 other bump:2.31312 Ang T5.CG2 and L10.CG other bump:2.45848 Ang N6.CG and N8.OD1 other bump:1.32995 Ang N6.OD1 and N8.OD1 other bump:2.32698 Ang N6.OD1 and N8.CG Number of specific fragments= 1 total=1568 # 1im5A.103.105 read from T0187.t2k.frag # found chain 1im5A in training set T0187 103 :PTGTNVNDL 1im5A 106 :FEGTDLAKI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5257 Ang T3.CG2 and G4.N self-bump: 1.29396 Ang T3.CA and T3.CB self-bump: 1.3751 Ang P2.N and P2.CD Number of specific fragments= 1 total=1569 # 1g0rA.103.106 read from T0187.t2k.frag # found chain 1g0rA in template set T0187 103 :PTGTNVNDL 1g0rA 107 :VLGDNLYYG 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 # 1bp3A.103.104 read from T0187.t2k.frag # adding 1bp3A to template set 1bp3A:# found chain 1bp3A in template set T0187 103 :PTGTNVNDL 1bp3A 105 :ASDSNVYDL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19964 Ang T5.CG2 and L10.CD1 other bump:2.97112 Ang T5.CG2 and L10.CG self-bump: 1.3943 Ang P2.CA and P2.CB Number of specific fragments= 1 total=1571 # 1id1A.104.106 read from T0187.t2k.frag # found chain 1id1A in template set T0187 104 :TGTNVNDLI 1id1A 109 :DSKNLNKIK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19679 Ang T2.OG1 and N5.ND2 Number of specific fragments= 1 total=1572 # 1tmy.104.106 read from T0187.t2k.frag # found chain 1tmy in training set T0187 104 :TGTNVNDLI 1tmy 107 :QPSRVVEAL 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 # 1d7kA.104.106 read from T0187.t2k.frag # found chain 1d7kA in template set T0187 104 :TGTNVNDLI 1d7kA 113 :PCKQVSQIK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41522 Ang T4.CG2 and L9.CD2 other bump:2.31312 Ang T4.CG2 and L9.CG other bump:2.45848 Ang N5.CG and N7.OD1 other bump:1.32995 Ang N5.OD1 and N7.OD1 other bump:2.32698 Ang N5.OD1 and N7.CG Number of specific fragments= 1 total=1574 # 1im5A.104.106 read from T0187.t2k.frag # found chain 1im5A in training set T0187 104 :TGTNVNDLI 1im5A 107 :EGTDLAKIL 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 # 1bp3A.104.105 read from T0187.t2k.frag # found chain 1bp3A in template set T0187 104 :TGTNVNDLI 1bp3A 106 :SDSNVYDLL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19964 Ang T4.CG2 and L9.CD1 other bump:2.97112 Ang T4.CG2 and L9.CG Number of specific fragments= 1 total=1576 # 1b9lA.104.106 read from T0187.t2k.frag # adding 1b9lA to template set 1b9lA:# found chain 1b9lA in template set T0187 104 :TGTNVNDLI 1b9lA 107 :RYADSVSMT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.58757 Ang V6.CG1 and N7.N Number of specific fragments= 1 total=1577 # 1id1A.105.107 read from T0187.t2k.frag # found chain 1id1A in template set T0187 105 :GTNVNDLII 1id1A 110 :SKNLNKIKM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11672 Ang D7.O and I10.CG1 Number of specific fragments= 1 total=1578 # 1tmy.105.107 read from T0187.t2k.frag # found chain 1tmy in training set T0187 105 :GTNVNDLII 1tmy 108 :PSRVVEALN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7634 Ang N6.OD1 and I10.CD1 Number of specific fragments= 1 total=1579 # 1d7kA.105.107 read from T0187.t2k.frag # found chain 1d7kA in template set T0187 105 :GTNVNDLII 1d7kA 114 :CKQVSQIKY Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41522 Ang T3.CG2 and L8.CD2 other bump:2.31312 Ang T3.CG2 and L8.CG other bump:2.45848 Ang N4.CG and N6.OD1 other bump:1.32995 Ang N4.OD1 and N6.OD1 other bump:2.32698 Ang N4.OD1 and N6.CG Number of specific fragments= 1 total=1580 # 1b9lA.105.107 read from T0187.t2k.frag # found chain 1b9lA in template set T0187 105 :GTNVNDLII 1b9lA 108 :YADSVSMTL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.58757 Ang V5.CG1 and N6.N Number of specific fragments= 1 total=1581 # 1im5A.105.107 read from T0187.t2k.frag # found chain 1im5A in training set T0187 105 :GTNVNDLII 1im5A 108 :GTDLAKILR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1582 # 1b9lA.105.108 read from T0187.t2k.frag # found chain 1b9lA in template set T0187 105 :GTNVNDLII 1b9lA 109 :ADSVSMTLS 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 # 1id1A.106.108 read from T0187.t2k.frag # found chain 1id1A in template set T0187 106 :TNVNDLIIG 1id1A 111 :KNLNKIKMV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11671 Ang D6.O and I9.CG1 Number of specific fragments= 1 total=1584 # 1tmy.106.108 read from T0187.t2k.frag # found chain 1tmy in training set T0187 106 :TNVNDLIIG 1tmy 109 :SRVVEALNK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7634 Ang N5.OD1 and I9.CD1 Number of specific fragments= 1 total=1585 # 1b9lA.106.108 read from T0187.t2k.frag # found chain 1b9lA in template set T0187 106 :TNVNDLIIG 1b9lA 109 :ADSVSMTLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.58757 Ang V4.CG1 and N5.N Number of specific fragments= 1 total=1586 # 1d7kA.106.108 read from T0187.t2k.frag # found chain 1d7kA in template set T0187 106 :TNVNDLIIG 1d7kA 115 :KQVSQIKYA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45848 Ang N3.CG and N5.OD1 other bump:1.32995 Ang N3.OD1 and N5.OD1 other bump:2.32698 Ang N3.OD1 and N5.CG Number of specific fragments= 1 total=1587 # 1dywA.106.113 read from T0187.t2k.frag # adding 1dywA to template set 1dywA:# found chain 1dywA in template set T0187 106 :TNVNDLIIG 1dywA 114 :TNGSQFFLC Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13426 Ang V4.CG2 and D6.CA other bump:2.15952 Ang V4.CG2 and D6.N neighbor-bump: 2.92955 Ang V4.CG2 and N5.C neighbor-bump: 3.06982 Ang V4.CG2 and N5.CA neighbor-bump: 2.23356 Ang V4.CB and N5.N neighbor-bump: 2.2364 Ang V4.CG2 and N5.N Number of specific fragments= 1 total=1588 # 1b9lA.106.109 read from T0187.t2k.frag # found chain 1b9lA in template set T0187 106 :TNVNDLIIG 1b9lA 110 :DSVSMTLSW 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 # 1tmy.107.109 read from T0187.t2k.frag # found chain 1tmy in training set T0187 107 :NVNDLIIGL 1tmy 110 :RVVEALNKV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7634 Ang N4.OD1 and I8.CD1 Number of specific fragments= 1 total=1590 # 1b9lA.107.109 read from T0187.t2k.frag # found chain 1b9lA in template set T0187 107 :NVNDLIIGL 1b9lA 110 :DSVSMTLSW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.58757 Ang V3.CG1 and N4.N Number of specific fragments= 1 total=1591 # 1id1A.107.109 read from T0187.t2k.frag # found chain 1id1A in template set T0187 107 :NVNDLIIGL 1id1A 112 :NLNKIKMVH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11671 Ang D5.O and I8.CG1 Number of specific fragments= 1 total=1592 # 1dywA.107.114 read from T0187.t2k.frag # found chain 1dywA in template set T0187 107 :NVNDLIIGL 1dywA 115 :NGSQFFLCT Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13426 Ang V3.CG2 and D5.CA other bump:2.15952 Ang V3.CG2 and D5.N neighbor-bump: 2.92955 Ang V3.CG2 and N4.C neighbor-bump: 3.06982 Ang V3.CG2 and N4.CA neighbor-bump: 2.23356 Ang V3.CB and N4.N neighbor-bump: 2.2364 Ang V3.CG2 and N4.N Number of specific fragments= 1 total=1593 # 1b9lA.107.110 read from T0187.t2k.frag # found chain 1b9lA in template set T0187 107 :NVNDLIIGL 1b9lA 111 :SVSMTLSWQ 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 # 2sfa.107.110 read from T0187.t2k.frag # adding 2sfa to template set 2sfa:# found chain 2sfa in template set T0187 107 :NVNDLIIGL 2sfa 111 :GLHSGRVTG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.99215 Ang L6.CD1 and I7.C neighbor-bump: 2.64331 Ang L6.CD1 and I7.N Number of specific fragments= 1 total=1595 # 1b9lA.108.110 read from T0187.t2k.frag # found chain 1b9lA in template set T0187 108 :VNDLIIGLI 1b9lA 111 :SVSMTLSWQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.6491 Ang V2.CG2 and N3.N Number of specific fragments= 1 total=1596 # 1tmy.108.110 read from T0187.t2k.frag # found chain 1tmy in training set T0187 108 :VNDLIIGL 1tmy 111 :VVEALNKV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.7634 Ang N3.OD1 and I7.CD1 Number of specific fragments= 1 total=1597 # 1id1A.108.110 read from T0187.t2k.frag # found chain 1id1A in template set T0187 108 :VNDLIIGLI 1id1A 113 :LNKIKMVHP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11671 Ang D4.O and I7.CG1 Number of specific fragments= 1 total=1598 # 1b9lA.108.111 read from T0187.t2k.frag # found chain 1b9lA in template set T0187 108 :VNDLIIGL 1b9lA 112 :VSMTLSWQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=1599 # 1dywA.108.115 read from T0187.t2k.frag # found chain 1dywA in template set T0187 108 :VNDLIIGLI 1dywA 116 :GSQFFLCTV Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.93772 Ang I10.CG2 and G11.CA neighbor-bump: 2.45984 Ang I10.CB and G11.N neighbor-bump: 1.66788 Ang I10.CG2 and G11.N self-bump: 2.31208 Ang I10.CG2 and I10.C self-bump: 1.31088 Ang I10.CA and I10.CB other bump:3.13426 Ang V2.CG2 and D4.CA other bump:2.15952 Ang V2.CG2 and D4.N neighbor-bump: 2.92954 Ang V2.CG2 and N3.C neighbor-bump: 3.06982 Ang V2.CG2 and N3.CA neighbor-bump: 2.23356 Ang V2.CB and N3.N neighbor-bump: 2.2364 Ang V2.CG2 and N3.N Number of specific fragments= 1 total=1600 # 2sfa.108.111 read from T0187.t2k.frag # found chain 2sfa in template set T0187 108 :VNDLIIGLI 2sfa 112 :LHSGRVTGL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.58465 Ang I10.CG2 and G11.N neighbor-bump: 1.87459 Ang G8.O and L9.CD1 neighbor-bump: 2.99215 Ang L5.CD1 and I6.C neighbor-bump: 2.64331 Ang L5.CD1 and I6.N Number of specific fragments= 1 total=1601 # command:# Prefix for output files set to # command:# Printing 70 template chains to Template.atoms # Printed template library # command:# Prefix for output files set to decoys/ # command:CPU_time= 267150 msec, elapsed time= 337578 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-al10+T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1jeqB at pool[11] 84.498 cost/residue, 210 clashes # optimizing backbone with 40 conformations in pool # doing 200 generations, with 180 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1jeqB 82.3655 cost/residue, 210 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 6 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1jeqB 82.3636 cost/residue, 210 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 17 ## InsertFragment 8 ## TwoFragment 4 ## CrossOver 1 ## CrossAndInsert 8 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1jeqB 80.379 cost/residue, 221 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 28 ## InsertFragment 10 ## TwoFragment 6 ## CrossOver 2 ## CrossAndInsert 13 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 24 # generation 4: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1jeqB 80.379 cost/residue, 221 clashes # Cumulative usage by method: ## InsertAlignment 4 ## InsertSpecificFragment 31 ## InsertFragment 12 ## TwoFragment 6 ## CrossOver 4 ## CrossAndInsert 16 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 8 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1jeqB 79.8618 cost/residue, 242 clashes # Cumulative usage by method: ## InsertAlignment 4 ## InsertSpecificFragment 34 ## InsertFragment 15 ## TwoFragment 6 ## CrossOver 5 ## CrossAndInsert 19 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 18 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 9 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # Removing break before 80 # Removing break before 94 # generation 6: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1jeqB 79.8618 cost/residue, 242 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 5 ## InsertSpecificFragment 41 ## InsertFragment 18 ## TwoFragment 6 ## CrossOver 5 ## CrossAndInsert 20 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 21 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 14 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1jeqB 79.7112 cost/residue, 240 clashes # Cumulative usage by method: ## InsertAlignment 5 ## InsertSpecificFragment 44 ## InsertFragment 20 ## TwoFragment 7 ## CrossOver 8 ## CrossAndInsert 26 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 24 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 17 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 78.9985 cost/residue, 404 clashes # Cumulative usage by method: ## InsertAlignment 5 ## InsertSpecificFragment 47 ## InsertFragment 27 ## TwoFragment 7 ## CrossOver 10 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 21 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # Removing break before 42 # Removing break before 83 # Removing break before 19 # Removing break before 79 # generation 9: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 78.4781 cost/residue, 340 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 48 ## InsertFragment 29 ## TwoFragment 7 ## CrossOver 14 ## CrossAndInsert 29 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 29 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 27 # generation 10: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 78.4781 cost/residue, 340 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 51 ## InsertFragment 35 ## TwoFragment 7 ## CrossOver 17 ## CrossAndInsert 30 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 35 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 27 # Removing break before 27 # generation 11: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 78.0938 cost/residue, 268 clashes # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 54 ## InsertFragment 36 ## TwoFragment 8 ## CrossOver 21 ## CrossAndInsert 31 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 42 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 27 # Removing break before 23 # jumping subtree containing (T0187)L301 jump= 0.932815 -0.157889 0.183226 -0.267123 3.33105 25.8403 -13.9847 # generation 12: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 78.0938 cost/residue, 268 clashes # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 55 ## InsertFragment 36 ## TwoFragment 8 ## CrossOver 21 ## CrossAndInsert 35 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 54 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 33 # generation 13: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 78.0131 cost/residue, 269 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 59 ## InsertFragment 37 ## TwoFragment 8 ## CrossOver 23 ## CrossAndInsert 37 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 68 ## OptSubtree 22 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A391 jump= 0.030428 0.621405 -0.323466 -0.712951 -29.9204 52.4999 -68.2863 # generation 14: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 78.0131 cost/residue, 269 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 7 ## InsertSpecificFragment 59 ## InsertFragment 38 ## TwoFragment 8 ## CrossOver 24 ## CrossAndInsert 37 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 85 ## OptSubtree 26 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E338 jump= -0.413741 0.302491 -0.248544 -0.821914 -3.54914 10.9654 -23.4157 # Removing break before 86 # Removing break before 46 # Removing break before 51 # Removing break before 82 # generation 15: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 77.8386 cost/residue, 276 clashes 0.0123885 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 38 ## TwoFragment 8 ## CrossOver 27 ## CrossAndInsert 37 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 102 ## OptSubtree 33 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 46 # Removing break before 82 # Removing break before 18 # Removing break before 82 # Removing break before 82 # generation 16: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 77.8386 cost/residue, 276 clashes 0.0123885 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 40 ## TwoFragment 8 ## CrossOver 30 ## CrossAndInsert 37 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 112 ## OptSubtree 41 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 82 # Removing break before 37 # Removing break before 37 # jumping subtree containing (T0187)L398 jump= -0.143682 0.254975 -0.954911 -0.0498799 -0.385909 -13.2472 -35.6017 # jumping subtree containing (T0187)L301 jump= 0.960671 -0.173816 -0.137746 -0.167106 -2.02657 19.1223 1.33363 # generation 17: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 77.8386 cost/residue, 276 clashes 0.0123886 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 40 ## TwoFragment 8 ## CrossOver 33 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 125 ## OptSubtree 47 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # Removing break before 45 # Removing break before 45 # jumping subtree containing (T0187)L301 jump= -0.072918 0.30369 -0.702692 -0.63928 14.1761 11.6584 2.50244 # jumping subtree containing (T0187)C346 jump= 0.644511 0.353968 0.488058 0.470225 -3.76046 -17.399 2.30781 # generation 18: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 77.6485 cost/residue, 271 clashes 0.0123886 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 42 ## TwoFragment 8 ## CrossOver 36 ## CrossAndInsert 39 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 138 ## OptSubtree 55 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)C346 jump= -0.897264 -0.0306138 0.278033 -0.341581 -27.7624 9.45763 17.7036 # Removing break before 45 # Removing break before 45 # Removing break before 45 # generation 19: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 77.6067 cost/residue, 325 clashes 0.0123886 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 46 ## TwoFragment 8 ## CrossOver 38 ## CrossAndInsert 39 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 18 ## JiggleSubtree 154 ## OptSubtree 60 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.107074 -0.0294942 -0.782687 -0.612426 34.6004 -11.8766 44.5089 # Removing break before 45 # Removing break before 45 # jumping subtree containing (T0187)C346 jump= -0.104953 0.197477 0.733472 -0.641877 13.331 23.5302 58.321 # generation 20: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 77.3304 cost/residue, 262 clashes 0.0779509 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 46 ## TwoFragment 8 ## CrossOver 39 ## CrossAndInsert 39 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 18 ## JiggleSubtree 174 ## OptSubtree 68 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 45 # Removing break before 45 # Removing break before 45 # generation 21: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 77.3304 cost/residue, 262 clashes 0.0779509 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 46 ## TwoFragment 8 ## CrossOver 40 ## CrossAndInsert 39 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 18 ## JiggleSubtree 198 ## OptSubtree 74 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N385 jump= 0.216395 -0.793192 -0.356832 -0.443499 2.3764 -24.2406 43.6706 # jumping subtree containing (T0187)G376 jump= 0.738907 -0.227242 -0.573339 0.271402 -5.36999 -17.8733 15.6661 # Removing break before 45 # generation 22: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 77.2641 cost/residue, 229 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 46 ## TwoFragment 8 ## CrossOver 44 ## CrossAndInsert 39 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 22 ## JiggleSubtree 217 ## OptSubtree 80 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L398 jump= -0.757471 0.492774 0.400746 -0.151046 -2.71861 -22.5536 -11.5383 # jumping subtree containing (T0187)P304 jump= 0.451354 0.21923 0.776931 0.380258 21.6011 25.2756 -70.7579 # generation 23: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 77.2641 cost/residue, 229 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 46 ## TwoFragment 8 ## CrossOver 45 ## CrossAndInsert 39 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 238 ## OptSubtree 89 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L398 jump= -0.783797 -0.424452 -0.104336 0.441155 -50.6633 15.1073 -60.6607 # jumping subtree containing (T0187)P356 jump= -0.937617 -0.256763 -0.196302 -0.128112 9.88472 -2.48262 -13.9114 # generation 24: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 77.2641 cost/residue, 229 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 46 ## TwoFragment 8 ## CrossOver 48 ## CrossAndInsert 39 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 258 ## OptSubtree 97 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E377 jump= -0.153113 0.846531 -0.436312 -0.263767 18.5997 9.05179 -29.8924 # jumping subtree containing (T0187)P304 jump= 0.412767 -0.316195 0.381993 -0.764019 7.64176 -18.7173 6.74306 # jumping subtree containing (T0187)L301 jump= -0.924878 -0.326195 0.188786 -0.050563 -0.0657268 -24.5183 -20.5818 # jumping subtree containing (T0187)E338 jump= -0.366672 0.674185 0.496129 0.406058 -25.6797 37.425 30.7396 # jumping subtree containing (T0187)T357 jump= -0.993066 0.0976223 -0.0644094 0.0119053 -0.438276 -16.9794 -7.08952 # generation 25: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 77.2608 cost/residue, 232 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 46 ## TwoFragment 9 ## CrossOver 50 ## CrossAndInsert 39 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 273 ## OptSubtree 101 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G319 jump= -0.532449 0.2053 -0.623642 0.534248 -27.6991 -10.7703 -20.8077 # jumping subtree containing (T0187)E338 jump= -0.266788 0.555365 0.426907 -0.661924 -72.6982 18.3696 -19.5007 # generation 26: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 77.0543 cost/residue, 244 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 46 ## TwoFragment 9 ## CrossOver 52 ## CrossAndInsert 40 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 27 ## JiggleSubtree 288 ## OptSubtree 111 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E338 jump= 0.217393 0.437601 0.386422 -0.782256 -43.8271 -50.8988 -28.3987 # generation 27: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 77.0543 cost/residue, 244 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 46 ## TwoFragment 9 ## CrossOver 53 ## CrossAndInsert 40 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 310 ## OptSubtree 118 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A374 jump= 0.956539 -0.177908 -0.000536466 -0.231045 -7.36898 -8.328 -24.6622 # jumping subtree containing (T0187)P304 jump= -0.678715 -0.6587 -0.238029 0.220914 -23.6905 -6.39389 -51.2688 # generation 28: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.9975 cost/residue, 244 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 46 ## TwoFragment 9 ## CrossOver 54 ## CrossAndInsert 41 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 31 ## JiggleSubtree 332 ## OptSubtree 126 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L383 jump= -0.125463 -0.17417 -0.807315 -0.549696 -64.6682 59.8529 -65.6306 # generation 29: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.5065 cost/residue, 251 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 49 ## TwoFragment 9 ## CrossOver 56 ## CrossAndInsert 41 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 34 ## JiggleSubtree 342 ## OptSubtree 139 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P304 jump= 0.71664 0.474872 0.381379 -0.339814 -10.3355 -20.0523 -77.2156 # generation 30: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.5065 cost/residue, 251 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 49 ## TwoFragment 9 ## CrossOver 56 ## CrossAndInsert 41 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 36 ## JiggleSubtree 365 ## OptSubtree 146 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.79882 -0.0459105 -0.559933 -0.215066 19.7259 35.9551 -80.8141 # generation 31: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.4651 cost/residue, 253 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 49 ## TwoFragment 9 ## CrossOver 61 ## CrossAndInsert 41 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 37 ## JiggleSubtree 383 ## OptSubtree 155 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P304 jump= -0.997572 -0.0397897 -0.0168804 0.0546023 6.59183 -24.648 4.88785 # jumping subtree containing (T0187)D351 jump= 0.890968 -0.141555 0.365438 -0.229332 -3.06213 -22.3002 -24.1257 # generation 32: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.4651 cost/residue, 253 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 49 ## TwoFragment 9 ## CrossOver 65 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 41 ## JiggleSubtree 396 ## OptSubtree 160 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.965505 -0.0861525 -0.226578 0.0950837 -12.0606 -9.74681 19.1859 # jumping subtree containing (T0187)E338 jump= -0.0458764 0.0803047 -0.958971 -0.267994 -86.8103 -5.34412 -45.2428 # generation 33: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.4603 cost/residue, 252 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 49 ## TwoFragment 9 ## CrossOver 67 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 44 ## JiggleSubtree 416 ## OptSubtree 169 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P304 jump= -0.291958 -0.100144 0.68963 -0.655089 -59.7647 0.288226 23.9014 # jumping subtree containing (T0187)G405 jump= -0.10323 0.874752 0.404364 -0.246255 -46.9833 74.5698 -28.964 # generation 34: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.4603 cost/residue, 252 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 49 ## TwoFragment 9 ## CrossOver 69 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 51 ## JiggleSubtree 435 ## OptSubtree 176 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P304 jump= 0.144293 0.197655 0.0384892 0.968829 -65.8243 52.5818 29.5051 # jumping subtree containing (T0187)P304 jump= -0.890613 0.0822337 0.384844 -0.227904 -47.065 44.0974 11.1825 # generation 35: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.4603 cost/residue, 252 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 49 ## TwoFragment 9 ## CrossOver 70 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 55 ## JiggleSubtree 451 ## OptSubtree 186 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P304 jump= -0.866309 0.0609185 -0.214507 0.446973 -44.6928 -8.85924 -11.3349 # jumping subtree containing (T0187)D378 jump= -0.93654 0.0983703 0.259656 0.213999 -14.3011 19.392 28.7634 # generation 36: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.4603 cost/residue, 252 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 49 ## TwoFragment 9 ## CrossOver 73 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 60 ## JiggleSubtree 458 ## OptSubtree 196 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E338 jump= -0.1436 -0.281739 0.0962123 0.943793 -111.837 40.448 -23.8539 # jumping subtree containing (T0187)G405 jump= -0.151686 0.969198 0.135749 0.138631 2.24357 59.1002 -16.1982 # jumping subtree containing (T0187)E338 jump= 0.0481763 -0.387103 -0.0930015 -0.916068 -93.9138 64.5744 46.8709 # jumping subtree containing (T0187)E338 jump= 0.913449 0.37519 -0.0301051 -0.154714 8.22571 -9.0467 -1.71828 # jumping subtree containing (T0187)L301 jump= -0.953326 0.122562 0.275947 -0.0013014 -6.85713 -7.49471 41.6255 # generation 37: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.4602 cost/residue, 252 clashes 0.0421283 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 49 ## TwoFragment 9 ## CrossOver 75 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 66 ## JiggleSubtree 463 ## OptSubtree 208 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.216824 0.434425 -0.209924 0.848643 -17.6232 33.544 26.3765 # jumping subtree containing (T0187)E338 jump= 0.425044 0.90273 -0.0533971 0.0395614 2.57911 -0.848034 -13.6912 # jumping subtree containing (T0187)G405 jump= 0.991947 0.0704776 -0.0599445 -0.0864923 7.70433 -18.4703 11.358 # generation 38: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.4602 cost/residue, 252 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 49 ## TwoFragment 9 ## CrossOver 78 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 75 ## JiggleSubtree 470 ## OptSubtree 219 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G352 jump= 0.12668 0.705842 -0.638898 0.278475 16.5402 -47.4807 -102.717 # jumping subtree containing (T0187)G405 jump= 0.751932 0.612314 0.229887 0.0825902 27.6661 26.3573 -67.0695 # jumping subtree containing (T0187)N390 jump= -0.991522 -0.0542548 0.102112 -0.0592799 -17.1525 25.4913 3.38723 # jumping subtree containing (T0187)E338 jump= -0.971707 -0.151808 -0.11315 -0.141198 -7.59601 8.28496 -12.392 # jumping subtree containing (T0187)G405 jump= 0.247581 0.745806 0.104882 -0.609488 -64.0029 -32.4048 -117.858 # generation 39: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.4601 cost/residue, 252 clashes 0.0421283 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 49 ## TwoFragment 9 ## CrossOver 80 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 80 ## JiggleSubtree 478 ## OptSubtree 232 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K393 jump= -0.929267 0.0594569 0.355439 -0.0811873 -55.7904 8.54372 3.19724 # jumping subtree containing (T0187)P304 jump= -0.618854 0.596864 0.510041 -0.025135 -60.9264 69.7722 -72.6422 # generation 40: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.4373 cost/residue, 271 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 50 ## TwoFragment 9 ## CrossOver 82 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 93 ## JiggleSubtree 478 ## OptSubtree 241 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.176737 0.408628 -0.894536 0.039911 -47.0293 -48.2686 -135.02 # generation 41: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.4373 cost/residue, 271 clashes 0.0421282 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 50 ## TwoFragment 9 ## CrossOver 87 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 96 ## JiggleSubtree 488 ## OptSubtree 255 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.0828768 0.260739 0.56976 -0.774933 -95.7107 -60.7463 -111.903 # jumping subtree containing (T0187)G405 jump= -0.970558 -0.0464349 0.215344 -0.0974011 -54.1213 -13.5314 -9.93717 # jumping subtree containing (T0187)E338 jump= 0.88248 -0.00106243 -0.368272 -0.292582 -96.8873 -17.9128 11.9214 # jumping subtree containing (T0187)P304 jump= -0.983788 -0.0536027 -0.13823 0.100897 -3.15172 -17.1324 -38.3621 # jumping subtree containing (T0187)E338 jump= -0.824056 0.507266 0.0319159 -0.250186 -37.7357 87.8617 -35.8093 # jumping subtree containing (T0187)G405 jump= -0.944984 -0.0654586 -0.290805 -0.134734 31.2494 15.3309 -31.1489 # jumping subtree containing (T0187)E338 jump= 0.331906 0.00343564 -0.247533 -0.91025 -47.8202 32.1331 -18.6337 # generation 42: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.4371 cost/residue, 271 clashes 0.0421283 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 50 ## TwoFragment 9 ## CrossOver 90 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 99 ## JiggleSubtree 501 ## OptSubtree 266 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E338 jump= -0.713279 0.0877835 0.498761 -0.484524 -100.018 -21.5192 -20.8233 # generation 43: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.3878 cost/residue, 240 clashes 0.0421283 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 50 ## TwoFragment 9 ## CrossOver 92 ## CrossAndInsert 43 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 105 ## JiggleSubtree 509 ## OptSubtree 280 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E338 jump= -0.166785 0.833638 -0.501893 0.159169 31.5863 -50.8411 -208.875 # jumping subtree containing (T0187)L301 jump= 0.899604 0.186067 0.00563407 0.395044 -24.5123 -11.6273 11.4001 # jumping subtree containing (T0187)G405 jump= -0.179051 -0.448609 0.870703 -0.0925584 -30.8877 -31.9022 -133.328 # jumping subtree containing (T0187)G405 jump= -0.856084 0.0637469 -0.142067 -0.492821 -17.4833 65.614 -23.5175 # generation 44: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.2232 cost/residue, 271 clashes 0.0499783 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 51 ## TwoFragment 9 ## CrossOver 94 ## CrossAndInsert 43 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 110 ## JiggleSubtree 519 ## OptSubtree 291 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D378 jump= -0.248757 0.74736 -0.469852 -0.398512 -66.145 4.88661 -138.096 # jumping subtree containing (T0187)E338 jump= -0.193021 -0.0132044 -0.980132 0.0437121 -56.8588 7.74647 -144.06 # generation 45: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.2232 cost/residue, 271 clashes 0.0499784 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 51 ## TwoFragment 9 ## CrossOver 96 ## CrossAndInsert 43 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 114 ## JiggleSubtree 535 ## OptSubtree 300 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N385 jump= -0.342259 0.225966 0.256508 -0.875215 -55.6497 -71.2952 -64.9452 # jumping subtree containing (T0187)L301 jump= -0.84411 -0.0902298 0.346742 -0.398882 -80.7953 -31.3497 -4.01429 # jumping subtree containing (T0187)G405 jump= -0.98753 -0.0203469 -0.152003 -0.0355873 38.4168 11.5461 -6.80363 # generation 46: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 76.1993 cost/residue, 270 clashes 0.0499783 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 52 ## TwoFragment 9 ## CrossOver 98 ## CrossAndInsert 43 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 119 ## JiggleSubtree 552 ## OptSubtree 310 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A306 jump= -0.993477 0.0295797 0.08174 -0.0738094 -40.3581 21.5738 12.1164 # jumping subtree containing (T0187)D378 jump= -0.891387 0.0854953 -0.0125675 0.444928 7.81042 -22.337 -16.7102 # jumping subtree containing (T0187)G352 jump= 0.110561 0.630715 -0.341163 0.688174 16.2303 -56.5842 -50.0205 # jumping subtree containing (T0187)G405 jump= -0.687551 -0.608563 0.344805 0.195023 -93.6342 -92.7752 -66.4047 # jumping subtree containing (T0187)E338 jump= -0.970146 -0.152527 -0.186999 0.0241598 59.5043 -41.5353 -27.264 # generation 47: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 75.9199 cost/residue, 250 clashes 0.0396116 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 52 ## TwoFragment 10 ## CrossOver 99 ## CrossAndInsert 43 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 564 ## OptSubtree 325 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 5 # jumping subtree containing (T0187)G352 jump= 0.710236 -0.332075 -0.57048 -0.244632 -86.7683 61.2822 -96.7365 # jumping subtree containing (T0187)G405 jump= -0.990674 0.038971 0.0795905 0.103494 -26.1206 20.8539 18.9539 # jumping subtree containing (T0187)N385 jump= -0.13932 0.616655 -0.184655 0.752482 90.8905 -68.904 -100.673 # jumping subtree containing (T0187)G405 jump= 0.951675 -0.100537 0.159571 -0.242373 23.7424 -8.75321 -3.27881 # generation 48: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 75.9199 cost/residue, 250 clashes 0.0396117 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 52 ## TwoFragment 10 ## CrossOver 102 ## CrossAndInsert 44 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 130 ## JiggleSubtree 578 ## OptSubtree 335 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.609763 -0.450102 -0.526548 0.385157 -140.91 35.5443 -103.049 # jumping subtree containing (T0187)G405 jump= -0.87224 -0.319254 -0.36647 -0.0545321 53.2612 -46.2196 -37.9299 # Removing break before 5 # generation 49: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 75.7783 cost/residue, 235 clashes 0.0567047 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 105 ## CrossAndInsert 44 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 135 ## JiggleSubtree 593 ## OptSubtree 345 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A306 jump= 0.487467 0.170849 -0.26763 0.813364 -33.9089 -114.514 -20.5113 # jumping subtree containing (T0187)G405 jump= 0.941031 -0.134236 -0.30757 -0.0429261 -73.7548 27.8852 -0.0921717 # Removing break before 5 # jumping subtree containing (T0187)N385 jump= -0.540265 0.421549 -0.633764 -0.358823 -8.28949 89.9605 -155.991 # generation 50: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 75.4257 cost/residue, 188 clashes 0.00785009 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 107 ## CrossAndInsert 44 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 138 ## JiggleSubtree 616 ## OptSubtree 354 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 5 # Removing break before 5 # jumping subtree containing (T0187)G323 jump= -0.619033 -0.719705 -0.313706 -0.0202847 60.9517 -105.79 -155.008 # Removing break before 84 # Removing break before 84 # Removing break before 5 # jumping subtree containing (T0187)E338 jump= 0.689945 0.323996 -0.586144 0.27466 -127.334 -94.8495 -42.7531 # Removing break before 84 # Removing break before 5 # Removing break before 5 # generation 51: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 75.3761 cost/residue, 179 clashes 0.0249433 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 113 ## CrossAndInsert 44 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 147 ## JiggleSubtree 627 ## OptSubtree 364 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 84 # Removing break before 5 # Removing break before 84 # Removing break before 84 # Removing break before 5 # jumping subtree containing (T0187)A306 jump= 0.670948 -0.26251 -0.345077 -0.601531 -28.3529 81.9085 -58.7126 # Removing break before 5 # Removing break before 5 # Removing break before 84 # Removing break before 5 # Removing break before 84 # jumping subtree containing (T0187)D378 jump= 0.636232 -0.524359 0.441949 -0.353464 114.175 -11.4423 -167.273 # Removing break before 5 # Removing break before 84 # generation 52: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 75.1558 cost/residue, 189 clashes 0.0160342 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 117 ## CrossAndInsert 44 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 153 ## JiggleSubtree 646 ## OptSubtree 372 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 5 # Removing break before 5 # Removing break before 92 # Removing break before 5 # Removing break before 5 # Removing break before 5 # jumping subtree containing (T0187)A306 jump= 0.831421 -0.179917 -0.0679156 0.521302 -92.4879 60.2485 -33.347 # Removing break before 84 # Removing break before 77 # Removing break before 77 # Removing break before 5 # Removing break before 77 # Removing break before 77 # Removing break before 84 # Removing break before 5 # Removing break before 84 # Removing break before 5 # Removing break before 77 # Removing break before 5 # Removing break before 92 # Removing break before 5 # Removing break before 5 # Removing break before 5 # Removing break before 5 # Removing break before 92 # Removing break before 84 # generation 53: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 75.1553 cost/residue, 189 clashes 0.0160342 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 117 ## CrossAndInsert 44 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 154 ## JiggleSubtree 673 ## OptSubtree 382 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G414 jump= -0.998853 -0.0333808 -0.0107371 -0.0326185 -1.9523 -4.58219 8.51768 # Removing break before 5 # Removing break before 92 # Removing break before 5 # Removing break before 92 # Removing break before 77 # Removing break before 92 # Removing break before 92 # Removing break before 5 # Removing break before 5 # Removing break before 92 # Removing break before 77 # Removing break before 5 # jumping subtree containing (T0187)K393 jump= -0.975005 0.142889 0.10751 0.131866 -6.19501 34.0083 -28.3531 # Removing break before 92 # Removing break before 5 # Removing break before 92 # Removing break before 92 # jumping subtree containing (T0187)A306 jump= -0.0128147 0.546318 -0.285563 0.78729 138.789 -66.2504 -128.129 # jumping subtree containing (T0187)G405 jump= -0.97655 0.211119 0.0250827 -0.0339193 -19.8916 54.8991 -44.9027 # Removing break before 5 # Removing break before 5 # generation 54: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 75.0716 cost/residue, 197 clashes 0.0160337 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 59 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 121 ## CrossAndInsert 44 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 154 ## JiggleSubtree 696 ## OptSubtree 391 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 5 # Removing break before 5 # Removing break before 92 # Removing break before 92 # Removing break before 5 # Removing break before 5 # Removing break before 92 # Removing break before 92 # Removing break before 92 # jumping subtree containing (T0187)D378 jump= -0.999655 -0.0149201 0.018449 0.0112848 5.39734 -2.1136 10.9348 # Removing break before 5 # Removing break before 5 # jumping subtree containing (T0187)D378 jump= 0.962857 0.185411 0.19592 0.012012 34.9046 -55.0547 -32.3107 # jumping subtree containing (T0187)G352 jump= -0.490041 -0.160262 0.360074 0.777511 -70.0236 20.2507 -22.6042 # Removing break before 92 # Removing break before 5 # Removing break before 5 # Removing break before 92 # jumping subtree containing (T0187)G405 jump= 0.490406 -0.710509 -0.42394 -0.273778 35.7849 57.3171 -154.511 # Removing break before 5 # Removing break before 92 # generation 55: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 74.5527 cost/residue, 203 clashes 0.0160342 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 60 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 122 ## CrossAndInsert 44 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 154 ## JiggleSubtree 716 ## OptSubtree 401 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.56669 -0.384268 0.468596 -0.558228 99.6626 -97.7212 -119.485 # Removing break before 92 # Removing break before 5 # jumping subtree containing (T0187)G405 jump= 0.000620549 -0.573608 0.767252 -0.286878 -6.34906 -101.453 -225.761 # Removing break before 5 # Removing break before 92 # Removing break before 92 # Removing break before 5 # Removing break before 92 # Removing break before 92 # Removing break before 92 # Removing break before 92 # Removing break before 92 # Removing break before 5 # Removing break before 92 # Removing break before 92 # Removing break before 5 # jumping subtree containing (T0187)K393 jump= -0.692996 0.65202 0.00432395 0.307585 34.3294 78.3077 -126.803 # Removing break before 5 # jumping subtree containing (T0187)K393 jump= 0.996649 0.0404714 0.059681 -0.0386152 10.1634 -12.7991 -27.1881 # generation 56: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 74.5527 cost/residue, 203 clashes 0.0160342 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 60 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 126 ## CrossAndInsert 44 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 156 ## JiggleSubtree 733 ## OptSubtree 411 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A306 jump= -0.799463 0.559276 -0.0359858 -0.216275 -17.8759 115.751 -102.09 # Removing break before 92 # Removing break before 92 # jumping subtree containing (T0187)D378 jump= -0.997387 -0.0142287 0.0166557 -0.0688416 2.29097 -16.4806 -9.90962 # Removing break before 5 # Removing break before 92 # jumping subtree containing (T0187)A306 jump= 0.643748 -0.155563 0.0384678 -0.74827 52.12 -13.9162 -4.77856 # Removing break before 92 # jumping subtree containing (T0187)G352 jump= -0.988192 -0.0459294 0.00456724 0.146104 -19.698 -18.4165 -20.0438 # Removing break before 5 # Removing break before 5 # Removing break before 5 # Removing break before 5 # jumping subtree containing (T0187)A306 jump= -0.904272 -0.0301622 -0.0829893 0.417727 43.1441 -41.5608 13.7064 # Removing break before 92 # Removing break before 92 # Removing break before 92 # Removing break before 92 # jumping subtree containing (T0187)G405 jump= 0.643185 -0.257705 -0.44464 0.567624 -125.598 -31.6785 -96.4894 # Removing break before 92 # Removing break before 5 # Removing break before 5 # Removing break before 92 # Removing break before 5 # jumping subtree containing (T0187)L301 jump= -0.989389 -0.132095 0.0484359 -0.0362455 1.75547 -21.3638 12.166 # Removing break before 5 # Removing break before 5 # Removing break before 92 # generation 57: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 74.292 cost/residue, 203 clashes 0.0160337 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 60 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 127 ## CrossAndInsert 44 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 156 ## JiggleSubtree 742 ## OptSubtree 432 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 5 # Removing break before 92 # Removing break before 5 # Removing break before 92 # jumping subtree containing (T0187)G405 jump= -0.997765 -0.036559 -0.0485734 0.0277398 14.907 -25.5284 -18.4016 # Removing break before 92 # Removing break before 5 # Removing break before 5 # Removing break before 5 # Removing break before 5 # Removing break before 92 # Removing break before 5 # jumping subtree containing (T0187)A306 jump= -0.142559 -0.573924 -0.797214 0.121399 32.0649 -68.2735 -219.951 # Removing break before 92 # jumping subtree containing (T0187)G352 jump= -0.925686 -0.268485 0.234658 0.126318 -78.1369 -49.8413 -13.7469 # generation 58: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 74.2915 cost/residue, 203 clashes 0.0160338 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 60 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 128 ## CrossAndInsert 44 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 156 ## JiggleSubtree 755 ## OptSubtree 442 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A306 jump= 0.88369 0.21972 0.147902 -0.385928 30.2795 -48.1895 -30.3343 # Removing break before 5 # Removing break before 5 # Removing break before 92 # Removing break before 5 # Removing break before 92 # Removing break before 5 # Removing break before 92 # Removing break before 92 # Removing break before 5 # Removing break before 5 # Removing break before 5 # Removing break before 5 # Removing break before 5 # Removing break before 5 # jumping subtree containing (T0187)A306 jump= 0.989121 -0.0755474 0.124234 0.0223222 21.8525 15.9752 -16.0063 # jumping subtree containing (T0187)G405 jump= -0.0378579 0.924629 0.341194 -0.16497 -15.3602 -23.2984 -187.444 # generation 59: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.9799 cost/residue, 204 clashes 0.0160336 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 128 ## CrossAndInsert 44 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 156 ## JiggleSubtree 778 ## OptSubtree 455 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 5 # Removing break before 92 # Removing break before 92 # Removing break before 92 # Removing break before 92 # jumping subtree containing (T0187)G405 jump= 0.963147 0.184049 -0.0315921 -0.193585 9.30154 -60.6417 17.1712 # jumping subtree containing (T0187)G405 jump= 0.755387 0.264157 0.36785 0.4736 93.2823 -9.73825 -32.1421 # Removing break before 5 # Removing break before 5 # jumping subtree containing (T0187)G405 jump= 0.629 0.00220342 0.672114 -0.390663 102.53 -72.2723 -129.835 # jumping subtree containing (T0187)A306 jump= 0.787351 -0.470912 0.0621674 -0.393007 85.0639 41.5143 -126.732 # Removing break before 92 # Removing break before 92 # Removing break before 5 # jumping subtree containing (T0187)A306 jump= 0.842445 -0.0944172 0.0267324 0.52977 -68.3982 21.5972 7.48281 # Removing break before 92 # Removing break before 5 # jumping subtree containing (T0187)A306 jump= 0.901653 -0.23701 0.230775 0.278553 4.96309 48.3106 -29.7292 # generation 60: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.9788 cost/residue, 204 clashes 0.016034 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 131 ## CrossAndInsert 44 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 156 ## JiggleSubtree 794 ## OptSubtree 471 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G352 jump= 0.387519 0.872306 0.297981 0.0108556 33.859 -132.919 -207.437 # jumping subtree containing (T0187)G352 jump= 0.938297 -0.0837664 -0.0238461 0.334683 -62.2457 27.1206 10.4678 # Removing break before 5 # Removing break before 5 # jumping subtree containing (T0187)D378 jump= -0.736785 0.326057 -0.579066 -0.124566 42.6296 71.3958 -153.124 # Removing break before 5 # jumping subtree containing (T0187)G405 jump= -0.329281 0.820842 0.290596 -0.365165 -93.9175 -37.2099 -240.04 # Removing break before 92 # Removing break before 92 # jumping subtree containing (T0187)A306 jump= 0.102695 0.668532 -0.184331 -0.713121 -131.633 -71.0739 -122.786 # Removing break before 92 # generation 61: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.9788 cost/residue, 204 clashes 0.0160339 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 136 ## CrossAndInsert 44 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 156 ## JiggleSubtree 813 ## OptSubtree 483 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 92 # Removing break before 92 # Removing break before 5 # Removing break before 5 # Removing break before 92 # Removing break before 5 # Removing break before 92 # Removing break before 5 # Removing break before 92 # jumping subtree containing (T0187)G352 jump= -0.887128 -0.406807 -0.0211695 -0.216943 4.86088 -79.3436 1.40703 # Removing break before 5 # Removing break before 5 # Removing break before 92 # Removing break before 5 # Removing break before 92 # generation 62: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.9787 cost/residue, 204 clashes 0.016034 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 138 ## CrossAndInsert 44 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 156 ## JiggleSubtree 829 ## OptSubtree 496 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= -0.993527 0.0928051 0.00528379 0.0652899 8.85857 15.4023 -8.70772 # jumping subtree containing (T0187)G352 jump= -0.00998052 0.684242 -0.726992 0.0565344 -62.5611 -73.0137 -255.084 # Removing break before 5 # Removing break before 92 # jumping subtree containing (T0187)K393 jump= 0.920059 0.378257 0.0370631 -0.0950725 0.124509 -102.639 21.6219 # Removing break before 92 # Removing break before 92 # Removing break before 92 # Removing break before 5 # Removing break before 92 # Removing break before 92 # Removing break before 92 # jumping subtree containing (T0187)T401 jump= -0.832793 0.343123 0.311939 0.302352 -52.8768 99.164 -34.1639 # Removing break before 5 # jumping subtree containing (T0187)A336 jump= 0.264477 0.00182719 -0.244127 -0.932979 -1.02828 -0.658745 6.46191 # Removing break before 5 # Removing break before 92 # Removing break before 92 # Removing break before 92 # Removing break before 5 # Removing break before 5 # Removing break before 92 # generation 63: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.9787 cost/residue, 204 clashes 0.016034 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 142 ## CrossAndInsert 44 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 156 ## JiggleSubtree 837 ## OptSubtree 508 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 92 # Removing break before 92 # Removing break before 5 # Removing break before 92 # Removing break before 5 # jumping subtree containing (T0187)G405 jump= 0.861367 0.125276 0.174892 0.46018 23.1865 -17.8106 4.08618 # Removing break before 92 # Removing break before 92 # Removing break before 92 # Removing break before 92 # Removing break before 5 # Removing break before 92 # jumping subtree containing (T0187)A306 jump= 0.506649 -0.463862 0.725261 -0.0462117 65.6912 17.8449 -212.441 # Removing break before 92 # Removing break before 5 # Removing break before 92 # jumping subtree containing (T0187)A306 jump= -0.999883 0.0068623 0.00621301 -0.0122103 -7.5599 -4.28286 -24.2231 # Removing break before 5 # generation 64: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.9323 cost/residue, 200 clashes 0.00785022 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 147 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 156 ## JiggleSubtree 838 ## OptSubtree 525 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 92 # jumping subtree containing (T0187)A306 jump= -0.00459898 0.716749 0.613465 0.331527 77.5126 32.3119 -252.129 # Removing break before 5 # Removing break before 5 # jumping subtree containing (T0187)G352 jump= 0.471217 0.534082 0.57899 0.396839 97.0312 -28.263 -120.313 # Removing break before 5 # Removing break before 5 # Removing break before 5 # jumping subtree containing (T0187)A336 jump= -0.915682 -0.26187 0.223048 -0.207846 -29.0721 -85.8861 -1.20391 # jumping subtree containing (T0187)A336 jump= 0.825714 -0.19899 0.347902 -0.396942 95.5648 25.4594 -54.8174 # Removing break before 92 # Removing break before 5 # jumping subtree containing (T0187)G405 jump= -0.181932 -0.197365 0.898369 -0.347679 -50.0157 -75.4707 -220.954 # Removing break before 5 # Removing break before 5 # Removing break before 92 # Removing break before 92 # Removing break before 5 # jumping subtree containing (T0187)T350 jump= -0.605475 -0.105755 0.788807 1.06966e-05 -164.768 -32.2938 -118.359 # Removing break before 5 # Removing break before 92 # generation 65: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.9322 cost/residue, 200 clashes 0.00785027 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 147 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 156 ## JiggleSubtree 852 ## OptSubtree 543 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D365 jump= -0.42272 0.684651 -0.490064 0.335258 100.855 -38.9379 -227.321 # jumping subtree containing (T0187)G405 jump= 0.890516 -0.182498 0.412964 -0.0560037 125.722 38.0962 -94.5062 # jumping subtree containing (T0187)G405 jump= 0.558775 0.402799 -0.626028 -0.365531 -107.059 -15.5717 -96.6866 # jumping subtree containing (T0187)G352 jump= 0.260535 -0.605104 -0.731305 0.176531 -45.1481 -13.7914 -287.124 # jumping subtree containing (T0187)A336 jump= -0.105815 0.939778 -0.0254945 -0.323991 -51.2404 -52.3347 -183.04 # Removing break before 5 # Removing break before 5 # Removing break before 5 # Removing break before 92 # Removing break before 5 # Removing break before 5 # Removing break before 5 # Removing break before 5 # jumping subtree containing (T0187)G352 jump= -0.708721 0.14039 -0.604162 -0.336144 81.5085 63.3499 -87.6919 # Removing break before 5 # Removing break before 5 # generation 66: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.8814 cost/residue, 235 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 152 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 156 ## JiggleSubtree 865 ## OptSubtree 560 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.117093 0.815526 -0.0109756 -0.566644 -180.986 -22.5685 -261.823 # Removing break before 5 # Removing break before 104 # Removing break before 5 # jumping subtree containing (T0187)G405 jump= -0.675 -0.0824426 0.721909 0.128158 -179.27 27.7098 -146.842 # Removing break before 5 # Removing break before 5 # Removing break before 5 # Removing break before 5 # Removing break before 104 # Removing break before 5 # Removing break before 5 # jumping subtree containing (T0187)G405 jump= 0.843436 -0.469747 -0.260044 0.0181668 -65.3716 145.001 -96.6377 # Removing break before 5 # Removing break before 104 # jumping subtree containing (T0187)A336 jump= 0.693974 -0.557325 -0.378203 -0.254461 -46.1971 137.021 -120.455 # Removing break before 5 # generation 67: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.8811 cost/residue, 235 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 10 ## CrossOver 155 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 159 ## JiggleSubtree 883 ## OptSubtree 569 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 104 # jumping subtree containing (T0187)T313 jump= 0.685446 0.353173 0.340221 -0.538221 33.1622 -168.116 -68.9117 # Removing break before 104 # Removing break before 104 # Removing break before 104 # jumping subtree containing (T0187)A336 jump= 0.957865 0.0427065 -0.214736 0.185903 -35.3645 -31.6544 -10.5987 # Removing break before 104 # Removing break before 104 # Removing break before 104 # jumping subtree containing (T0187)L398 jump= 0.341604 0.858198 0.37775 0.0640944 44.9784 -72.3968 -260.988 # Removing break before 5 # Removing break before 104 # jumping subtree containing (T0187)H316 jump= -0.11828 -0.295906 0.85072 0.418002 -79.9212 44.9407 -119.097 # jumping subtree containing (T0187)D365 jump= -0.0845459 0.654955 0.745961 0.0861857 18.0325 31.3655 -292.245 # Removing break before 104 # generation 68: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.7805 cost/residue, 208 clashes 0.044704 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 54 ## TwoFragment 10 ## CrossOver 161 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 163 ## JiggleSubtree 907 ## OptSubtree 572 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G352 jump= -0.933277 -0.292166 0.0249672 -0.207389 -1.27574 -93.9962 -23.9721 # Removing break before 104 # Removing break before 104 # Removing break before 104 # Removing break before 104 # Removing break before 104 # Removing break before 104 # Removing break before 104 # Removing break before 104 # jumping subtree containing (T0187)T313 jump= 0.831949 0.532526 -0.0889943 0.127895 -12.0936 -159.676 -35.9498 # Removing break before 104 # Removing break before 104 # Removing break before 5 # Removing break before 104 # Removing break before 104 # Removing break before 104 # generation 69: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.7441 cost/residue, 238 clashes 0.0368539 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 54 ## TwoFragment 10 ## CrossOver 162 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 923 ## OptSubtree 584 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I400 jump= -0.918418 0.338739 0.203517 0.0185956 -28.9105 51.9177 -59.0626 # jumping subtree containing (T0187)A369 jump= 0.994185 -0.00218983 -0.0420879 -0.0990943 14.9655 -3.80137 11.9362 # Removing break before 104 # generation 70: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.7356 cost/residue, 237 clashes 0.036854 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 55 ## TwoFragment 10 ## CrossOver 167 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 941 ## OptSubtree 596 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.134779 -0.600702 0.715455 -0.330326 14.2631 -116.664 -250.761 # jumping subtree containing (T0187)A369 jump= 0.400372 -0.0535849 0.258519 -0.877496 22.6129 -124.399 -24.8672 # jumping subtree containing (T0187)G405 jump= 0.251328 -0.732758 -0.377832 -0.507093 57.4716 56.0651 -164.503 # jumping subtree containing (T0187)G405 jump= 0.870804 0.160453 -0.162108 0.435519 -64.4563 -44.0882 18.0928 # jumping subtree containing (T0187)D365 jump= -0.976749 0.121594 0.149071 -0.0946304 -30.9035 10.8257 -15.9886 # jumping subtree containing (T0187)G405 jump= 0.985884 -0.0209313 0.0972328 -0.134686 22.0861 8.27339 -3.9675 # jumping subtree containing (T0187)G324 jump= 0.0567511 -0.0390759 0.982803 0.171322 -28.2657 18.9159 -266.033 # generation 71: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.7349 cost/residue, 237 clashes 0.0368539 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 55 ## TwoFragment 10 ## CrossOver 170 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 953 ## OptSubtree 616 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= 0.772278 0.1653 0.170889 0.589117 44.647 -6.78333 -6.50742 # jumping subtree containing (T0187)I400 jump= -0.594521 -0.399657 0.1286 0.68577 -139.304 -109.863 -74.3929 # jumping subtree containing (T0187)I400 jump= -0.669684 -0.282548 0.641767 -0.244591 -128.873 -98.0434 -118.64 # jumping subtree containing (T0187)L301 jump= 0.408001 -0.606939 -0.134724 -0.668588 86.7228 82.8813 -121.305 # jumping subtree containing (T0187)T313 jump= 0.216784 0.69755 -0.508624 -0.455774 -157.141 -46.1013 -173.046 # generation 72: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.7347 cost/residue, 237 clashes 0.0368539 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 55 ## TwoFragment 10 ## CrossOver 170 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 973 ## OptSubtree 631 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= -0.459614 0.601201 0.356298 0.548054 105.652 67.0628 -140.007 # generation 73: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.7318 cost/residue, 237 clashes 0.0368537 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 55 ## TwoFragment 10 ## CrossOver 175 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 983 ## OptSubtree 644 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.921948 -0.0573945 0.0309292 -0.381786 33.4995 -15.5657 -13.2914 # jumping subtree containing (T0187)I400 jump= 0.310332 -0.376061 -0.791893 0.367664 -125.608 -63.4817 -275.337 # jumping subtree containing (T0187)D365 jump= -0.171777 0.48107 -0.784368 -0.351895 -57.8809 100.331 -240.929 # jumping subtree containing (T0187)G405 jump= 0.514563 -0.33696 -0.756147 -0.223438 -106.328 92.5596 -240.15 # generation 74: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.7313 cost/residue, 237 clashes 0.0368537 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 55 ## TwoFragment 10 ## CrossOver 176 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 995 ## OptSubtree 661 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= -0.822556 0.242863 -0.482207 -0.178591 98.857 68.5435 -131.04 # jumping subtree containing (T0187)T313 jump= 0.58824 -0.26175 -0.746903 -0.166121 -112.471 91.1289 -154.765 # jumping subtree containing (T0187)G405 jump= 0.45153 0.788233 0.128385 0.397902 114.479 -157.025 -170.52 # jumping subtree containing (T0187)T401 jump= -0.205489 0.641772 -0.488231 -0.554557 -130.271 88.2431 -236.24 # jumping subtree containing (T0187)A369 jump= 0.822109 -0.419165 0.111842 0.368687 -67.3165 91.5831 -85.9976 # jumping subtree containing (T0187)G405 jump= 0.21626 0.809964 -0.142571 0.526178 123.73 -138.434 -187.854 # generation 75: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.7309 cost/residue, 237 clashes 0.0368538 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 55 ## TwoFragment 10 ## CrossOver 179 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1014 ## OptSubtree 674 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= -0.787324 -0.408568 0.455334 0.076577 -142.416 -83.1337 -63.0633 # jumping subtree containing (T0187)A336 jump= -0.0949272 0.514084 0.752672 0.400239 32.3766 102.398 -220.883 # jumping subtree containing (T0187)G405 jump= 0.775005 -0.101617 0.475706 -0.403416 122.854 -85.3161 -107.496 # generation 76: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.7307 cost/residue, 237 clashes 0.0368539 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 55 ## TwoFragment 10 ## CrossOver 185 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1024 ## OptSubtree 689 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= -0.848741 0.0846686 0.324745 0.408669 -32.1854 36.0085 -4.82153 # jumping subtree containing (T0187)I363 jump= -0.566189 -0.375649 0.308121 -0.665867 -16.4089 -118.403 -31.3195 # jumping subtree containing (T0187)A336 jump= -0.660636 0.208227 -0.368901 0.619769 145.281 -38.2546 -57.6625 # jumping subtree containing (T0187)T313 jump= -0.0624739 0.676109 0.622134 -0.389772 -112.58 -88.8628 -265.628 # jumping subtree containing (T0187)I400 jump= 0.995715 -0.0329658 -0.0288223 0.0814448 -11.9576 7.21256 -2.29056 # jumping subtree containing (T0187)I400 jump= 0.597306 -0.745432 0.248406 -0.160782 71.7767 79.772 -214.577 # generation 77: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.7303 cost/residue, 237 clashes 0.0368536 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 55 ## TwoFragment 10 ## CrossOver 188 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1032 ## OptSubtree 702 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.378771 0.841559 0.342668 -0.175757 16.1391 -164.889 -258.568 # jumping subtree containing (T0187)I363 jump= -0.892501 0.183073 -0.257933 0.321554 110.315 -4.46967 -32.8247 # jumping subtree containing (T0187)I363 jump= -0.668029 0.120127 0.687199 -0.258969 -167.742 -27.8921 -95.679 # generation 78: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.7302 cost/residue, 237 clashes 0.036854 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 55 ## TwoFragment 10 ## CrossOver 194 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1038 ## OptSubtree 718 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= -0.707394 -0.520835 0.448945 -0.163623 -113.462 -174.357 -125.406 # jumping subtree containing (T0187)A336 jump= -0.0161054 0.546494 -0.560383 -0.622138 -152.182 28.204 -146.384 # jumping subtree containing (T0187)I363 jump= 0.0290124 0.340159 -0.719531 0.604751 25.3509 -185.56 -199.931 # generation 79: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.6168 cost/residue, 217 clashes 0.0368536 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 57 ## TwoFragment 10 ## CrossOver 197 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1042 ## OptSubtree 735 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= -0.387222 0.283709 -0.78462 0.392351 96.5444 -98.8702 -215.359 # jumping subtree containing (T0187)A369 jump= 0.47604 -0.70746 -0.0766609 -0.516729 121.649 27.3135 -155.403 # jumping subtree containing (T0187)G405 jump= 0.414289 0.222339 -0.805291 0.36116 -183.363 -155.169 -177.174 # jumping subtree containing (T0187)L301 jump= 0.794681 0.206271 -0.424293 0.381981 -161.895 -101.153 -38.5835 # jumping subtree containing (T0187)A336 jump= -0.915615 0.074461 -0.21799 -0.329523 -9.71108 56.4266 -21.0848 # jumping subtree containing (T0187)I400 jump= 0.0821818 0.507666 -0.709974 -0.481101 -191.984 9.73673 -190.727 # jumping subtree containing (T0187)G405 jump= -0.923601 0.0542115 0.371507 -0.0774923 -119.243 -10.4374 -27.6191 # jumping subtree containing (T0187)L301 jump= 0.465515 0.266641 0.843484 0.0270745 92.5766 -30.3065 -228.502 # jumping subtree containing (T0187)G405 jump= 0.903978 -0.22808 -0.275113 0.23477 -106.675 60.219 -56.4816 # generation 80: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.6168 cost/residue, 217 clashes 0.0368536 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 57 ## TwoFragment 10 ## CrossOver 199 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1048 ## OptSubtree 751 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.447168 -0.823842 0.199155 0.285766 -67.9198 103.671 -217.112 # jumping subtree containing (T0187)T313 jump= 0.877566 0.0644568 -0.017078 -0.474797 20.4569 -58.9383 1.45617 # jumping subtree containing (T0187)T313 jump= -0.971771 0.143167 0.124493 0.140234 -32.6688 37.233 -16.4997 # generation 81: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.6167 cost/residue, 217 clashes 0.0368536 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 57 ## TwoFragment 10 ## CrossOver 201 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1061 ## OptSubtree 768 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= -0.956527 -0.20095 0.174637 -0.119065 -74.9663 -45.9946 12.4019 # jumping subtree containing (T0187)G405 jump= -0.393282 0.212301 0.731193 0.515379 -72.7335 78.7886 -93.484 # jumping subtree containing (T0187)T401 jump= 0.665277 -0.582816 0.288237 0.36695 -73.3513 120.314 -167.667 # jumping subtree containing (T0187)A369 jump= 0.0783994 0.323925 -0.403038 -0.852342 -152.512 9.78409 -33.9259 # jumping subtree containing (T0187)V417 jump= -0.619478 0.363231 0.18998 -0.669491 -180.456 16.9591 -91.6489 # jumping subtree containing (T0187)L301 jump= 0.476323 -0.225863 0.767684 0.364368 20.8885 91.5259 -231.317 # jumping subtree containing (T0187)G405 jump= -0.665071 -0.0250073 -0.203708 -0.718024 -27.3918 19.6325 14.1187 # generation 82: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.6166 cost/residue, 217 clashes 0.0368535 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 57 ## TwoFragment 10 ## CrossOver 208 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1063 ## OptSubtree 785 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P403 jump= -0.139367 0.0696008 0.320688 0.934287 -103.179 80.9483 -3.64655 # jumping subtree containing (T0187)A369 jump= -0.611795 0.247202 -0.722699 0.205683 84.3518 -15.1346 -217.359 # jumping subtree containing (T0187)G405 jump= -0.809182 -0.543912 0.18359 -0.125217 -29.4985 -177.373 -25.3367 # jumping subtree containing (T0187)T401 jump= -0.962286 -0.235139 0.0954216 -0.0980305 -30.3651 -95.7307 7.52232 # jumping subtree containing (T0187)I363 jump= -0.369601 -0.310138 -0.0802326 -0.872223 54.7462 -45.136 -3.02088 # jumping subtree containing (T0187)G405 jump= -0.927986 0.0190543 -0.210057 0.307173 73.6218 -19.4087 -33.9386 # jumping subtree containing (T0187)T401 jump= -0.946461 0.0098088 -0.230208 0.226098 98.5336 -43.619 -22.7223 # jumping subtree containing (T0187)I400 jump= -0.700829 -0.574913 -0.409058 0.104812 95.7772 -150.464 -126.442 # jumping subtree containing (T0187)A369 jump= -0.998245 -0.0390362 -0.0173965 0.0409894 24.4611 -10.3179 -1.89446 # jumping subtree containing (T0187)I363 jump= -0.321159 0.402181 -0.632133 -0.579237 -80.0597 127.25 -176.812 # jumping subtree containing (T0187)L301 jump= 0.977237 -0.0700197 -0.0915911 -0.178089 -8.13654 19.6271 7.22967 # generation 83: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.6166 cost/residue, 217 clashes 0.0368535 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 61 ## InsertFragment 57 ## TwoFragment 10 ## CrossOver 212 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1063 ## OptSubtree 805 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= -0.951626 0.176403 -0.054941 -0.245501 -9.81603 33.0201 -4.26145 # jumping subtree containing (T0187)I363 jump= -0.562507 0.0311593 -0.587131 -0.581285 28.8088 87.3559 -101.074 # generation 84: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.6166 cost/residue, 217 clashes 0.0368538 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 57 ## TwoFragment 10 ## CrossOver 216 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1063 ## OptSubtree 824 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= -0.981559 -0.052501 -0.173124 -0.0617523 85.9327 1.43807 -24.742 # jumping subtree containing (T0187)G405 jump= -0.699594 0.187647 -0.481737 0.49324 127.991 -116.388 -156.154 # jumping subtree containing (T0187)G362 jump= 0.137624 0.896247 -0.418754 0.0494475 -45.9481 -104.669 -361.032 # generation 85: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.6164 cost/residue, 217 clashes 0.0368535 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 57 ## TwoFragment 10 ## CrossOver 219 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1065 ## OptSubtree 843 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.139606 0.5037 -0.837749 -0.158025 -203.92 -57.129 -402.156 # jumping subtree containing (T0187)A369 jump= -0.537567 -0.313812 0.773906 -0.116676 -234.048 -127.917 -238.73 # jumping subtree containing (T0187)I363 jump= -0.998299 -0.0497159 -0.0159424 -0.025936 18.9295 -8.43102 1.35706 # jumping subtree containing (T0187)A369 jump= -0.641662 0.318856 0.0831182 0.692599 56.6106 36.7378 -43.2645 # generation 86: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.6157 cost/residue, 217 clashes 0.0368537 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 57 ## TwoFragment 10 ## CrossOver 223 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1068 ## OptSubtree 862 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I322 jump= -0.294162 -0.431104 0.118319 0.84476 -235.901 -72.5978 -113.715 # jumping subtree containing (T0187)A369 jump= -0.629632 0.28012 -0.4648 0.555929 149.731 -128.755 -170.276 # jumping subtree containing (T0187)I400 jump= 0.0874874 0.267152 -0.791245 0.543054 -89.9426 -204.89 -292.008 # jumping subtree containing (T0187)A369 jump= 0.664835 0.326004 0.218238 0.635679 88.9597 -54.0385 -24.4883 # generation 87: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.6042 cost/residue, 217 clashes 0.0368536 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 57 ## TwoFragment 10 ## CrossOver 230 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1068 ## OptSubtree 879 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= -0.452352 0.887783 0.00630407 -0.0847271 -37.279 91.4688 -362.504 # jumping subtree containing (T0187)L301 jump= -0.0182904 0.782576 -0.621683 -0.0274089 -80.4764 -100.266 -456.435 # generation 88: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.6042 cost/residue, 217 clashes 0.0368536 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 57 ## TwoFragment 10 ## CrossOver 231 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1080 ## OptSubtree 896 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= -0.394348 -0.193961 -0.732293 0.520207 28.1568 -190.819 -278.442 # jumping subtree containing (T0187)G405 jump= -0.987424 -0.0304016 0.00907752 -0.154876 -0.804417 0.0279951 -11.2959 # jumping subtree containing (T0187)A369 jump= -0.43231 0.216155 0.507306 0.71346 -61.4153 117.958 -95.4273 # jumping subtree containing (T0187)I363 jump= -0.461079 0.231005 -0.462804 -0.72101 -48.1702 167.807 -96.3147 # jumping subtree containing (T0187)I400 jump= 0.716278 -0.270365 0.00399978 0.643298 -171.444 111.593 -60.3797 # jumping subtree containing (T0187)T368 jump= 0.333049 0.668123 -0.649443 0.144614 -139.314 -209.871 -324.439 # jumping subtree containing (T0187)P403 jump= -0.662022 0.430543 0.54798 0.275821 -145.833 181.822 -131.067 # jumping subtree containing (T0187)G352 jump= -0.298346 0.761407 0.444338 0.365806 60.0854 146.967 -274.925 # generation 89: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.6041 cost/residue, 217 clashes 0.0368536 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 57 ## TwoFragment 10 ## CrossOver 235 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1088 ## OptSubtree 917 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I400 jump= 0.999012 -0.0371512 0.020375 -0.013403 8.64749 10.3597 23.6352 # jumping subtree containing (T0187)A369 jump= 0.474016 0.435521 0.646969 -0.40873 25.3774 -205.384 -280.641 # jumping subtree containing (T0187)I363 jump= -0.0866668 0.659713 -0.0210936 0.746205 176.57 -56.8047 -146.98 # jumping subtree containing (T0187)G352 jump= 0.829899 0.0624747 -0.281463 -0.477644 -121.292 2.02913 -18.2698 # jumping subtree containing (T0187)G352 jump= -0.911 -0.0270455 0.357088 -0.204537 -145.795 -31.3165 -18.1741 # jumping subtree containing (T0187)G405 jump= 0.84341 0.372304 0.111959 0.37083 95.4612 -77.4467 -33.1333 # jumping subtree containing (T0187)A336 jump= -0.20721 0.686077 -0.405265 0.567559 144.994 -102.456 -267.761 # jumping subtree containing (T0187)A369 jump= -0.714932 0.586687 0.0853078 0.370666 69.4984 140.539 -134.648 # jumping subtree containing (T0187)G405 jump= -0.994259 0.0870212 -0.0362996 0.0505878 16.8153 13.7989 0.365579 # jumping subtree containing (T0187)G405 jump= 0.86233 -0.121041 -0.288626 -0.398034 -101.721 44.8867 -6.69078 # jumping subtree containing (T0187)A336 jump= -0.550859 -0.396831 0.338756 -0.651402 -78.4757 -199.092 -54.4238 # jumping subtree containing (T0187)L301 jump= -0.96817 0.124069 -0.158166 -0.14912 46.7043 84.3114 -33.1227 # generation 90: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.6041 cost/residue, 217 clashes 0.0368536 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 57 ## TwoFragment 10 ## CrossOver 239 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1088 ## OptSubtree 937 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= -0.340301 0.24213 0.821172 0.388903 -162.356 157.629 -282.172 # jumping subtree containing (T0187)L301 jump= 0.937759 -0.154393 -0.140562 -0.277514 -41.0147 32.1364 19.1038 # jumping subtree containing (T0187)T313 jump= 0.997014 0.0301383 0.00323429 0.0710227 -7.99231 -30.9187 -3.1003 # jumping subtree containing (T0187)G352 jump= -0.47544 -0.134527 -0.850131 0.182037 120.853 -100.209 -358.771 # generation 91: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.5921 cost/residue, 217 clashes 0.0368536 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 58 ## TwoFragment 10 ## CrossOver 243 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1088 ## OptSubtree 956 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= 0.910117 0.0632721 0.140901 0.384487 53.3654 21.6893 -17.9635 # jumping subtree containing (T0187)I400 jump= 0.604408 -0.770088 -0.133879 0.154053 -83.0642 183.892 -295.113 # jumping subtree containing (T0187)A336 jump= -0.784761 -0.0466015 -0.317695 0.530139 83.6461 -152.897 -84.6154 # jumping subtree containing (T0187)T313 jump= -0.999377 -0.0159105 -0.0084282 0.0303495 -0.271124 -14.2821 16.8773 # jumping subtree containing (T0187)G405 jump= 0.576704 0.239919 0.706907 -0.331865 78.2374 -179.562 -279.396 # jumping subtree containing (T0187)K384 jump= 0.0990586 0.280249 0.505471 -0.810029 -172.832 -239.934 -203.778 # generation 92: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.5921 cost/residue, 217 clashes 0.0368536 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 248 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1098 ## OptSubtree 964 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= 0.855192 -0.0908494 0.208906 -0.465565 81.7929 -60.3119 -54.2223 # jumping subtree containing (T0187)A369 jump= -0.997082 -0.0605994 0.0174684 -0.0430158 -17.6246 -19.3539 24.0633 # jumping subtree containing (T0187)I363 jump= 0.785073 -0.458744 -0.343932 0.234361 -191.537 116.05 -150.202 # jumping subtree containing (T0187)T368 jump= 0.163207 -0.935009 -0.17379 0.262522 -98.0382 8.90777 -421.361 # generation 93: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.592 cost/residue, 217 clashes 0.0368538 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 252 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1109 ## OptSubtree 983 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= 0.292592 0.925135 -0.00578628 0.241832 106.319 -169.814 -348.901 # jumping subtree containing (T0187)G405 jump= 0.475873 0.0223012 -0.271573 -0.836239 -119.46 14.2605 -1.62979 # jumping subtree containing (T0187)L301 jump= -0.307235 0.787373 -0.5343 0.013184 36.2858 33.8781 -448.08 # jumping subtree containing (T0187)I363 jump= -0.297198 0.649801 -0.379665 -0.58761 -152.927 121.463 -271.989 # jumping subtree containing (T0187)L301 jump= 0.941422 0.304747 0.133068 -0.056102 29.0362 -125.501 -65.0164 # jumping subtree containing (T0187)G405 jump= 0.999124 0.0069808 0.00337285 0.0411305 17.2152 -11.6607 16.3954 # jumping subtree containing (T0187)T313 jump= 0.855823 0.309537 0.047786 -0.411668 -11.1857 -181.631 -55.5084 # generation 94: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.5919 cost/residue, 217 clashes 0.0368538 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 254 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1109 ## OptSubtree 1005 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.337803 0.726381 -0.444595 -0.400743 -244.452 -93.5532 -334.572 # jumping subtree containing (T0187)A359 jump= -0.537876 0.471999 0.318285 0.621772 21.4767 127.553 -104.689 # jumping subtree containing (T0187)G405 jump= 0.711795 0.35889 0.296878 0.525747 131.537 -0.95331 -91.938 # jumping subtree containing (T0187)G405 jump= 0.737556 0.336321 -0.559934 -0.171388 -242.411 -102.395 -142.95 # jumping subtree containing (T0187)I400 jump= -0.316618 -0.140158 -0.520017 0.780828 -49.3614 -242.319 -176.759 # jumping subtree containing (T0187)I363 jump= -0.0668035 0.599903 -0.792827 0.0841388 -87.2621 -107.982 -399.915 # jumping subtree containing (T0187)G414 jump= 0.992147 -0.0944225 0.0818862 -0.00476848 26.2424 19.2162 -2.50722 # generation 95: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.5918 cost/residue, 217 clashes 0.0368536 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 258 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1110 ## OptSubtree 1024 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K394 jump= 0.960247 0.21465 -0.100708 0.147343 -57.7654 -65.3726 6.72619 # jumping subtree containing (T0187)I363 jump= 0.59787 0.296953 0.711902 -0.218095 103.425 -153.356 -292.231 # jumping subtree containing (T0187)T313 jump= 0.631514 0.230561 0.449893 0.587901 113.858 61.6315 -92.4854 # jumping subtree containing (T0187)A369 jump= -0.220516 0.782767 0.206367 -0.544115 -253.458 3.53777 -322.88 # jumping subtree containing (T0187)L301 jump= -0.831901 0.272347 0.453427 -0.167844 -234.125 99.1399 -106.6 # jumping subtree containing (T0187)A369 jump= 0.749966 -0.321346 0.34704 0.462441 -15.6499 146.206 -158.49 # generation 96: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.5916 cost/residue, 217 clashes 0.0368538 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 263 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1110 ## OptSubtree 1043 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= -0.999993 0.00326268 0.00206674 -0.000243539 -4.52211 -16.6453 -0.0518112 # jumping subtree containing (T0187)G405 jump= -0.768103 0.183053 -0.613316 0.0187853 171.574 25.27 -241.512 # jumping subtree containing (T0187)L301 jump= -0.634733 -0.421787 -0.427591 -0.486185 172.79 23.7382 -128.176 # jumping subtree containing (T0187)G405 jump= -0.456257 -0.214967 -0.457318 -0.732447 50.5439 128.629 -99.5333 # jumping subtree containing (T0187)I363 jump= 0.772339 0.427684 0.212141 0.419016 93.4676 -86.1572 -50.1237 # jumping subtree containing (T0187)G405 jump= 0.547323 0.556163 -0.252355 0.572221 34.2075 -181.639 -97.3322 # jumping subtree containing (T0187)G405 jump= -0.931718 -0.0109106 -0.0454528 0.360162 -15.2322 -49.8855 -0.60524 # generation 97: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.5916 cost/residue, 217 clashes 0.0368538 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 265 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1111 ## OptSubtree 1064 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T401 jump= 0.18315 0.632928 -0.740431 -0.13274 -192.025 -102.267 -382.172 # jumping subtree containing (T0187)G405 jump= 0.1657 0.678909 -0.536974 -0.472531 -238.979 -15.0781 -307.137 # jumping subtree containing (T0187)A369 jump= 0.983158 0.0115365 -0.124437 0.133353 -41.8695 7.9688 23.3173 # jumping subtree containing (T0187)T313 jump= 0.544221 0.554161 -0.341076 0.529525 -33.5359 -216.681 -122.245 # jumping subtree containing (T0187)A369 jump= 0.334293 0.334058 -0.588727 0.655785 -86.9373 -238.413 -161.357 # jumping subtree containing (T0187)I363 jump= 0.985539 -0.146907 0.0671215 -0.0512358 29.1315 53.1283 -18.7736 # jumping subtree containing (T0187)A369 jump= 0.0618392 0.0236063 0.316383 0.946319 -85.2908 80.7353 -33.0107 # jumping subtree containing (T0187)I363 jump= -0.905051 0.0787324 0.381545 -0.170609 -170.943 20.028 -72.0693 # generation 98: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.5916 cost/residue, 217 clashes 0.0368538 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 269 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1111 ## OptSubtree 1086 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= -0.109776 -0.760982 -0.518775 0.373802 -115.989 -99.3214 -400.961 # jumping subtree containing (T0187)G405 jump= -0.68037 -0.269517 -0.646148 -0.216679 168.948 20.7162 -232.046 # jumping subtree containing (T0187)A336 jump= 0.778673 -0.106466 0.488276 -0.379369 141.403 -101.068 -171.357 # jumping subtree containing (T0187)I363 jump= 0.383492 0.471898 -0.793597 -0.0212182 -227.944 -138.15 -277.967 # jumping subtree containing (T0187)A336 jump= -0.994747 -0.0377571 0.0908338 -0.0283348 -24.0693 -21.3027 17.0449 # generation 99: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.5915 cost/residue, 217 clashes 0.0368539 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 275 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1112 ## OptSubtree 1103 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.968566 0.0339257 0.121644 0.214319 -23.5901 12.9839 4.71916 # jumping subtree containing (T0187)G405 jump= 0.705781 0.0051403 0.327368 0.628234 39.002 113.12 -35.1429 # jumping subtree containing (T0187)I400 jump= -0.720456 0.348362 -0.412713 0.435033 144.946 -25.1796 -175.356 # generation 100: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.5915 cost/residue, 217 clashes 0.0368539 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 280 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1112 ## OptSubtree 1122 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.82894 0.287803 -0.161112 0.451742 94.1611 19.8662 -57.4887 # jumping subtree containing (T0187)T313 jump= -0.714901 0.0917902 0.664525 -0.197225 -269.321 -23.0837 -120.505 # jumping subtree containing (T0187)N326 jump= -0.247713 0.66837 -0.619542 0.328766 70.372 -108.337 -365.798 # jumping subtree containing (T0187)I363 jump= -0.587659 0.720898 -0.35408 0.097934 89.0561 93.3639 -334.501 # jumping subtree containing (T0187)A336 jump= -0.959912 0.0433665 0.00930469 -0.27677 -33.7896 61.7729 8.72182 # jumping subtree containing (T0187)A359 jump= -0.97059 -0.135863 -0.0547682 -0.191041 -3.62097 -43.7034 -8.63492 # generation 101: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.5915 cost/residue, 217 clashes 0.0368539 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 284 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1112 ## OptSubtree 1147 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I400 jump= 0.910747 0.348027 -0.220976 -0.0242151 -107.273 -167.046 -47.0235 # jumping subtree containing (T0187)A359 jump= -0.785613 -0.383594 -0.386768 0.293392 66.2404 -157.629 -155.303 # jumping subtree containing (T0187)A359 jump= 0.918293 -0.0430135 -0.159904 -0.35961 -71.075 -30.9692 -0.766841 # jumping subtree containing (T0187)A336 jump= -0.266229 -0.696876 -0.416251 -0.519828 138.024 49.4229 -198.269 # jumping subtree containing (T0187)T404 jump= -0.411537 0.0681035 0.300126 0.85786 -97.3876 61.1992 -40.0088 # jumping subtree containing (T0187)S347 jump= 0.422751 0.795575 0.118048 0.417619 119.187 -146.052 -209.761 # jumping subtree containing (T0187)A359 jump= -0.434945 -0.694353 -0.23931 0.520987 -113.013 -162.723 -256.289 # jumping subtree containing (T0187)I400 jump= -0.157229 0.371809 -0.329381 -0.853549 -215.918 117.291 -156.413 # generation 102: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.5915 cost/residue, 217 clashes 0.0368539 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 285 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1112 ## OptSubtree 1170 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.98822 -0.12886 0.0823586 0.00585786 49.5208 63.8196 -36.8281 # jumping subtree containing (T0187)G405 jump= -0.688863 0.718934 0.0330651 0.0866528 13.698 205.241 -207.556 # jumping subtree containing (T0187)A359 jump= -0.00843724 -0.491295 0.695228 -0.524611 -19.265 -202.853 -258.198 # jumping subtree containing (T0187)I400 jump= 0.952576 -0.0395317 0.028715 -0.300352 -0.922054 -20.1235 2.49192 # jumping subtree containing (T0187)G405 jump= -0.984758 0.156258 0.0358786 0.0674407 -26.4107 58.7158 -8.0393 # jumping subtree containing (T0187)E328 jump= -0.679006 -0.0385528 -0.260684 -0.685207 -32.3903 79.5158 -32.6014 # generation 103: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.5913 cost/residue, 217 clashes 0.0368539 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 288 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1112 ## OptSubtree 1194 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= -0.529446 -0.29172 -0.349641 -0.715778 37.8758 82.7481 -87.9943 # jumping subtree containing (T0187)T404 jump= -0.992142 0.0795353 0.0962374 -0.00817092 -39.0907 44.499 -12.357 # jumping subtree containing (T0187)G405 jump= -0.964483 0.127598 -0.224198 -0.0568065 77.2785 55.9332 -56.6411 # jumping subtree containing (T0187)G405 jump= 0.933692 0.0385224 0.35555 -0.0178625 107.712 -23.0211 -97.6016 # generation 104: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.5913 cost/residue, 217 clashes 0.0368539 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 292 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1112 ## OptSubtree 1214 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.208018 0.258 0.625316 0.706502 46.0425 189.157 -196.315 # jumping subtree containing (T0187)I400 jump= -0.736398 0.297257 -0.553428 0.251143 185.045 -13.9724 -226.265 # jumping subtree containing (T0187)T404 jump= 0.611641 0.0503093 0.368132 -0.698458 30.5531 -155.863 -100.561 # jumping subtree containing (T0187)G405 jump= -0.351779 -0.224763 0.114237 -0.901489 -14.8537 -55.0907 -23.259 # generation 105: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.5219 cost/residue, 217 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 295 ## CrossAndInsert 45 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1112 ## OptSubtree 1242 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.628484 -0.373316 -0.547948 0.40669 34.5814 -209.516 -252.763 # jumping subtree containing (T0187)G405 jump= -0.446287 -0.728121 -0.471961 0.218909 18.7772 -165.871 -365.512 # jumping subtree containing (T0187)I400 jump= -0.0135249 0.970699 -0.0332134 0.237609 101.284 -45.2255 -363.821 # jumping subtree containing (T0187)A369 jump= 0.135266 -0.657834 -0.61348 0.415451 -191.19 -21.073 -341.65 # jumping subtree containing (T0187)T313 jump= -0.409112 -0.212019 -0.251389 -0.851164 -5.07517 41.9982 4.73161 # jumping subtree containing (T0187)I400 jump= -0.755245 -0.124793 -0.461166 -0.448729 107.199 84.3376 -128.008 # jumping subtree containing (T0187)A369 jump= 0.370996 -0.85933 0.331123 -0.119463 69.1951 58.6519 -343.682 # jumping subtree containing (T0187)L301 jump= 0.859406 -0.116744 0.475508 -0.147254 142.924 -29.8087 -151.771 # jumping subtree containing (T0187)A369 jump= 0.462553 -0.381039 0.517859 0.610472 -108.829 176.635 -217.868 # generation 106: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.5219 cost/residue, 217 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 297 ## CrossAndInsert 45 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1115 ## OptSubtree 1266 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)F309 jump= -0.948816 -0.124239 0.282059 0.0689647 -122.592 -38.8669 -9.49951 # jumping subtree containing (T0187)G405 jump= -0.376355 -0.328078 0.865245 0.0455388 -225.107 -58.4936 -329.929 # jumping subtree containing (T0187)L337 jump= 0.875117 -0.0428497 -0.481549 -0.0211126 -224.434 -3.62676 -48.3158 # jumping subtree containing (T0187)A359 jump= 0.99125 -0.0402482 0.108935 0.0627451 34.2799 2.06056 -10.897 # jumping subtree containing (T0187)G405 jump= -0.930453 -0.192097 0.271721 -0.153374 -87.8589 -67.9673 -3.72425 # jumping subtree containing (T0187)G405 jump= 0.505838 0.342918 0.36609 0.701793 112.465 88.6471 -91.7551 # jumping subtree containing (T0187)E328 jump= 0.694849 -0.294205 0.584416 0.298473 30.4869 145.208 -258.964 # jumping subtree containing (T0187)G405 jump= 0.988439 0.0701863 0.0808139 0.10738 31.392 -13.3281 -16.3212 # jumping subtree containing (T0187)E328 jump= -0.595411 -0.574213 0.326061 0.457657 -234.367 -156.765 -165.195 # jumping subtree containing (T0187)A359 jump= -0.533702 -0.145792 -0.339452 0.760709 -57.6043 -187.529 -89.1627 # jumping subtree containing (T0187)A369 jump= 0.74369 -0.0226864 0.0671928 0.664752 -56.603 76.1323 10.3868 # jumping subtree containing (T0187)E328 jump= 0.440473 -0.331966 0.795351 -0.251396 60.7566 -74.7798 -346.637 # generation 107: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.5219 cost/residue, 217 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 299 ## CrossAndInsert 45 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1116 ## OptSubtree 1290 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E312 jump= 0.958783 0.109996 -0.239811 -0.105481 -111.795 -35.5309 -12.5968 # jumping subtree containing (T0187)G352 jump= 0.32338 0.490161 0.787618 0.186617 44.1079 35.6749 -323.728 # jumping subtree containing (T0187)E328 jump= 0.84033 -0.342516 0.243694 0.342259 -25.07 168.346 -138.596 # jumping subtree containing (T0187)I400 jump= 0.732607 -0.562554 -0.355617 0.142678 -175.427 173.369 -179.101 # jumping subtree containing (T0187)A359 jump= -0.812062 0.0824409 -0.541193 0.202163 135.544 -38.01 -156.132 # Removing break before 36 # jumping subtree containing (T0187)E328 jump= -0.465834 -0.721029 -0.368408 -0.356918 141.062 -76.268 -237.558 # jumping subtree containing (T0187)E328 jump= 0.596956 0.398529 0.595592 0.360678 163.374 42.8136 -217.74 # jumping subtree containing (T0187)L301 jump= 0.897833 0.182356 0.0984628 -0.388518 34.9166 -123.287 -18.8707 # generation 108: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 304 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1116 ## OptSubtree 1308 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.625347 0.422405 0.253268 -0.605285 -226.051 83.7497 -131.412 # jumping subtree containing (T0187)A359 jump= 0.0298174 -0.698785 0.550165 0.456211 -208.893 50.5745 -335.055 # jumping subtree containing (T0187)L337 jump= -0.330079 -0.178441 0.926377 -0.0321265 -255.264 -40.7441 -344.503 # Removing break before 36 # jumping subtree containing (T0187)A359 jump= -0.960494 -0.211857 -0.143422 0.109538 22.8397 -86.9265 -57.7932 # jumping subtree containing (T0187)A359 jump= -0.922826 0.318094 0.169171 -0.136344 -75.2975 119.395 -37.1645 # jumping subtree containing (T0187)A369 jump= 0.854614 -0.135591 -0.31544 0.389548 -177.753 26.1805 -40.6015 # jumping subtree containing (T0187)A369 jump= -0.610957 0.0130544 0.0483044 -0.790081 -129.161 34.2685 26.1631 # jumping subtree containing (T0187)I363 jump= -0.743316 -0.64207 0.182234 -0.044927 -48.5073 -178.899 -122.621 # jumping subtree containing (T0187)A359 jump= 0.528686 0.41117 0.581971 0.461236 101.714 65.9471 -205.774 # generation 109: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 306 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1122 ## OptSubtree 1324 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T404 jump= -0.221545 0.714969 0.520462 0.410921 -1.23148 165.969 -206.306 # jumping subtree containing (T0187)G405 jump= -0.56362 0.166853 -0.645183 -0.488089 51.6233 192.053 -248.929 # jumping subtree containing (T0187)G405 jump= 0.723056 -0.467575 -0.398329 -0.316067 -70.7706 176.917 -138.567 # jumping subtree containing (T0187)G352 jump= -0.420026 -0.555317 -0.702418 0.147684 47.1021 -101.282 -316.158 # jumping subtree containing (T0187)G405 jump= 0.939697 0.3019 0.0669329 0.1461 49.8956 -91.6812 -38.2795 # Removing break before 36 # jumping subtree containing (T0187)G405 jump= 0.447465 -0.832502 -0.144622 0.292916 -131.612 139.082 -344.771 # jumping subtree containing (T0187)A359 jump= 0.354928 0.742197 0.552465 0.133987 88.1833 -35.2365 -312.454 # generation 110: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 308 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1351 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= 0.998076 0.0247858 0.0335572 -0.0458628 9.92699 -21.6437 -24.3601 # jumping subtree containing (T0187)G405 jump= -0.52571 0.321939 0.334605 -0.712758 -236.721 -0.606162 -107.245 # jumping subtree containing (T0187)A369 jump= 0.450746 0.0651561 -0.605922 0.652259 -217.217 -143.122 -126.172 # jumping subtree containing (T0187)A359 jump= 0.768579 0.635592 0.0555827 0.0471125 25.3783 -175.472 -136.738 # jumping subtree containing (T0187)A359 jump= 0.999729 0.0154018 0.000187409 -0.0174606 -15.6533 -6.47085 -17.6459 # jumping subtree containing (T0187)G405 jump= -0.733564 0.0572543 0.673031 0.0750711 -224.465 51.5685 -134.031 # jumping subtree containing (T0187)L301 jump= 0.99672 -0.0808778 -0.00130068 0.00252677 2.99851 21.5158 19.4957 # jumping subtree containing (T0187)A359 jump= 0.070099 0.702086 0.110617 0.699947 84.9055 18.4139 -120.306 # generation 111: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 311 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1372 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.64281 0.749037 -0.13696 0.0835539 -18.7223 -234.578 -238.529 # jumping subtree containing (T0187)G405 jump= 0.994753 -0.0240691 0.0901938 -0.0418589 38.8606 -8.8592 -17.4637 # jumping subtree containing (T0187)A359 jump= 0.322203 0.645547 -0.259532 0.641948 38.4904 -128.209 -119.181 # jumping subtree containing (T0187)A359 jump= 0.947707 0.0270967 -0.268005 -0.171143 -87.7404 -18.0107 26.3547 # jumping subtree containing (T0187)I363 jump= -0.420598 0.60184 -0.451621 -0.506877 -112.55 139.826 -291.492 # jumping subtree containing (T0187)A359 jump= -0.96583 0.175459 0.0296051 0.188442 -13.0469 19.2725 -17.9295 # jumping subtree containing (T0187)I400 jump= 0.769216 0.0448624 -0.590235 0.240659 -241.648 -84.6497 -103.662 # jumping subtree containing (T0187)I363 jump= -0.285416 -0.537382 -0.747661 -0.266011 60.9865 82.717 -313.807 # jumping subtree containing (T0187)A359 jump= -0.329564 -0.132139 -0.600595 -0.716389 -34.9453 185.702 -130.463 # generation 112: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 316 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1391 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.71652 -0.349002 0.429907 0.424236 -236.048 -87.3036 -100.162 # jumping subtree containing (T0187)A359 jump= -0.771463 0.291391 0.503618 -0.257499 -236.698 94.6592 -84.8432 # jumping subtree containing (T0187)E312 jump= -0.570356 0.69983 0.42622 -0.0571781 -137.708 139.693 -268.333 # jumping subtree containing (T0187)A369 jump= -0.675737 0.35344 0.0158467 -0.64669 -135.066 136.008 -82.7938 # jumping subtree containing (T0187)G405 jump= -0.998651 0.00440281 0.00130685 0.0517247 -6.66764 -29.2122 11.4843 # jumping subtree containing (T0187)E312 jump= 0.694151 -0.108607 -0.638388 -0.314356 -219.513 91.406 -112.257 # jumping subtree containing (T0187)A369 jump= 0.00667577 -0.0312877 0.476193 0.878758 -149.231 138.397 -80.1448 # generation 113: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 321 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1416 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.719365 0.369498 -0.566481 -0.158382 -215.221 -132.838 -113.423 # jumping subtree containing (T0187)L337 jump= -0.903236 0.12675 0.32914 0.244472 -104.671 54.6702 -5.99142 # jumping subtree containing (T0187)I363 jump= 0.981847 -0.0222071 -0.16047 0.098653 -78.9661 33.5131 16.6092 # jumping subtree containing (T0187)A369 jump= -0.642372 -0.677134 0.358365 -0.0205667 -122.502 -207.273 -202.721 # jumping subtree containing (T0187)A369 jump= 0.834342 -0.425656 0.106243 -0.33377 75.5918 62.4051 -66.9967 # jumping subtree containing (T0187)L301 jump= 0.466464 -0.284504 0.00226181 -0.837534 33.942 -33.4321 3.22038 # jumping subtree containing (T0187)G405 jump= 0.278565 -0.0843017 -0.64127 -0.709977 -136.016 193.506 -130.435 # jumping subtree containing (T0187)T313 jump= 0.831279 0.331218 -0.0786171 -0.439419 -85.699 -154.206 -46.6306 # jumping subtree containing (T0187)I363 jump= 0.99963 -0.000904762 -0.000826387 0.0271884 -14.7887 -8.88633 -21.8973 # generation 114: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 325 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1436 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= -0.922983 -0.173644 -0.0936249 -0.330431 16.8867 -22.2044 -4.71708 # jumping subtree containing (T0187)G405 jump= -0.975075 -0.148137 -0.0314098 0.162166 12.2177 -104.921 -25.2574 # jumping subtree containing (T0187)T313 jump= 0.302725 -0.107648 -0.71096 -0.625544 -149.293 137.31 -126.172 # jumping subtree containing (T0187)L337 jump= -0.404449 -0.730119 0.0831094 0.544463 -227.476 -192.878 -282.255 # jumping subtree containing (T0187)L301 jump= 0.718137 0.605928 0.0163425 0.341854 53.2556 -189.079 -90.0593 # jumping subtree containing (T0187)I363 jump= 0.593969 0.298343 0.700791 0.259007 101.077 72.758 -264.568 # generation 115: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 329 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1456 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing (T0187)T401 jump= -0.966391 -0.0630356 0.152924 -0.196797 -68.42 -8.29998 30.932 # jumping subtree containing (T0187)G405 jump= -0.607571 -0.535695 0.585941 0.0237002 -201.012 -161.449 -237.249 # jumping subtree containing (T0187)G405 jump= 0.627622 -0.0965849 0.52813 0.563773 39.364 151.019 -156.384 # jumping subtree containing (T0187)A359 jump= -0.641164 0.747662 -0.0887645 0.148431 61.7716 131.344 -180.44 # generation 116: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 336 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1473 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= -0.51115 0.572055 0.532928 -0.357023 -242.945 102.397 -223.99 # Removing break before 36 # jumping subtree containing (T0187)L307 jump= -0.57064 0.525813 0.599793 0.195295 -113.399 185.638 -204.816 # jumping subtree containing (T0187)G405 jump= -0.890107 -0.27897 -0.277432 -0.230035 127.22 -57.0028 -58.5287 # jumping subtree containing (T0187)G405 jump= 0.686845 0.124456 -0.672024 0.247262 -244.835 -91.1635 -115.862 # Removing break before 36 # jumping subtree containing (T0187)L337 jump= -0.966799 -0.191841 0.168727 0.0053725 -75.2686 -92.8138 19.6586 # generation 117: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 343 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1490 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.398474 -0.708337 0.573315 0.103862 14.4749 61.9132 -350.054 # jumping subtree containing (T0187)T313 jump= 0.885122 -0.337105 0.195017 -0.254732 91.9854 62.4804 -83.1571 # jumping subtree containing (T0187)G352 jump= 0.679037 -0.591611 0.411653 0.139455 51.1651 130.11 -249.574 # jumping subtree containing (T0187)E312 jump= -0.733152 -0.605661 -0.0484817 0.305471 -77.4316 -238.306 -145.35 # jumping subtree containing (T0187)A359 jump= -0.236759 0.58821 -0.744253 -0.209862 -91.0109 61.7831 -360.338 # jumping subtree containing (T0187)L337 jump= 0.927942 0.223394 -0.192083 0.228306 -98.491 -74.7493 6.02289 # jumping subtree containing (T0187)A359 jump= 0.311489 0.474184 0.59216 -0.572251 -112.413 -181.2 -276.969 # jumping subtree containing (T0187)Q381 jump= -0.139254 0.265788 -0.0486811 0.952678 -23.8777 -77.6739 -11.443 # jumping subtree containing (T0187)I400 jump= 0.762986 -0.420953 -0.427161 0.241214 -197.304 105.743 -124.568 # jumping subtree containing (T0187)I400 jump= 0.738196 -0.0233768 -0.593356 0.320076 -242.41 -29.4467 -119.693 # Removing break before 36 # generation 118: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 350 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1507 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.853466 0.0140755 -0.51378 -0.0861821 130.151 50.3181 -159.39 # jumping subtree containing (T0187)I400 jump= -0.0343688 0.286451 -0.43241 0.854276 -4.56103 -209.664 -93.3605 # jumping subtree containing (T0187)I400 jump= 0.0548423 0.762793 0.307039 -0.566451 -212.291 -105.508 -329.626 # jumping subtree containing (T0187)E312 jump= 0.834292 -0.0315142 0.11769 0.537692 -22.7208 47.8036 -20.6728 # generation 119: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 360 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1521 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.957357 0.00330666 -0.055489 -0.283509 -12.888 -10.0349 16.6767 # jumping subtree containing (T0187)A369 jump= 0.160714 -0.973003 0.0987827 -0.132958 55.3573 12.1034 -334.631 # jumping subtree containing (T0187)L337 jump= 0.919079 0.118212 0.195317 0.321201 43.4453 18.4356 -18.8695 # jumping subtree containing (T0187)I400 jump= -0.285827 -0.890832 0.304968 0.178087 -105.057 -156.514 -376.342 # Removing break before 36 # jumping subtree containing (T0187)G352 jump= 0.998109 0.0544563 -0.0181359 0.0220059 -15.3022 -8.08473 -5.45735 # generation 120: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 367 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1538 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.863194 0.236129 0.0114696 -0.446103 -41.5471 -142.354 -29.0194 # jumping subtree containing (T0187)I363 jump= 0.15312 -0.529337 -0.755035 -0.355357 -46.7285 162.811 -263.57 # jumping subtree containing (T0187)T313 jump= -0.510007 0.762321 0.261188 -0.300899 -165.272 144.336 -279.371 # jumping subtree containing (T0187)G405 jump= -0.994919 0.0375204 0.0806007 -0.0472474 -38.8034 38.6894 -18.2258 # jumping subtree containing (T0187)A369 jump= 0.999925 -0.0111506 0.00214341 -0.00456929 -0.84148 32.3375 4.82887 # jumping subtree containing (T0187)E328 jump= -0.633365 0.735649 -0.00228809 -0.240133 -67.1294 162.976 -257.959 # Removing break before 36 # jumping subtree containing (T0187)G405 jump= -0.647166 -0.368648 -0.656488 0.119575 135.242 -132.144 -273.564 # jumping subtree containing (T0187)T401 jump= 0.885246 -0.166513 -0.253959 -0.352303 -77.0995 58.9877 14.5947 # jumping subtree containing (T0187)G405 jump= 0.426922 -0.540022 -0.356516 0.631673 -261.128 43.1344 -229.399 # jumping subtree containing (T0187)L337 jump= -0.973665 -0.0250798 0.0292733 -0.2247 -25.8805 -2.4106 17.4614 # generation 121: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 371 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1558 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 36 # jumping subtree containing (T0187)G405 jump= -0.995021 -0.0756806 0.0648015 0.00259325 -48.9805 -39.9651 -11.2657 # jumping subtree containing (T0187)L337 jump= 0.910677 0.177578 0.364137 -0.080856 121.576 -82.4364 -103.612 # jumping subtree containing (T0187)G405 jump= 0.997621 -0.056101 -0.0400221 0.00176498 -5.90343 30.5525 -10.4832 # jumping subtree containing (T0187)A359 jump= -0.100398 0.457026 0.0314927 0.883208 33.4888 -0.866268 -11.6772 # jumping subtree containing (T0187)L337 jump= 0.942728 0.011082 -0.329146 0.0529553 -146.476 7.61739 -9.16888 # jumping subtree containing (T0187)T313 jump= -0.668811 0.277188 0.19676 0.661168 -11.2094 20.8073 -5.7552 # jumping subtree containing (T0187)G405 jump= -0.620152 -0.0939846 0.21906 0.747389 -138.347 -31.1033 -31.2752 # jumping subtree containing (T0187)A369 jump= -0.752121 0.549076 -0.0104384 0.364307 84.7992 95.1559 -92.3743 # Removing break before 36 # jumping subtree containing (T0187)T404 jump= -0.591708 0.623199 0.427445 -0.280705 -214.441 134.375 -248.029 # generation 122: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 377 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1576 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L383 jump= -0.334817 0.551015 -0.087819 0.759321 121.932 -50.0509 -102.876 # jumping subtree containing (T0187)A359 jump= 0.999956 0.00151335 -0.00916002 0.000963742 4.24443 0.266625 -3.06878 # jumping subtree containing (T0187)A359 jump= 0.774161 0.332002 -0.537862 -0.0339773 -181.227 -112.588 -83.1201 # jumping subtree containing (T0187)G405 jump= 0.944767 -0.0106331 0.316357 0.0849769 132.961 35.8881 -58.5839 # jumping subtree containing (T0187)I363 jump= 0.190981 -0.707378 0.546136 0.406051 -133.856 52.4078 -349.706 # Removing break before 36 # jumping subtree containing (T0187)G405 jump= -0.12189 -0.53914 -0.821269 0.141381 -35.6402 -45.8848 -435.75 # jumping subtree containing (T0187)A359 jump= -0.119417 -0.698182 0.328139 -0.624986 56.1919 -156.709 -145.864 # jumping subtree containing (T0187)G405 jump= -0.193978 -0.122248 -0.748801 0.621872 -46.6786 -223.435 -271.866 # jumping subtree containing (T0187)G405 jump= 0.299396 0.308085 0.628408 -0.648498 -99.1852 -230.019 -271.867 # jumping subtree containing (T0187)L301 jump= 0.991968 0.0118407 0.117982 -0.0440423 23.7089 -11.772 -19.1255 # generation 123: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 385 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1592 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G352 jump= 0.677885 -0.405819 -0.178586 0.586422 -191.412 105.366 -100.393 # jumping subtree containing (T0187)T404 jump= 0.999507 0.00223405 -0.0310279 0.0042657 -22.4963 10.9478 24.8753 # jumping subtree containing (T0187)E312 jump= 0.123356 0.715493 0.0882218 -0.681961 -227.126 -129.034 -275.808 # jumping subtree containing (T0187)G405 jump= 0.956069 -0.0647295 0.236969 0.159961 66.3875 76.9769 -47.7505 # jumping subtree containing (T0187)T401 jump= 0.925878 0.108614 -0.0131752 0.361635 5.3161 -22.7543 -9.72516 # jumping subtree containing (T0187)G405 jump= -0.249775 -0.496607 0.555631 -0.618278 -37.2286 -235.907 -180.272 # generation 124: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 392 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1609 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= -0.52572 0.593418 -0.560025 0.24051 109.283 -38.5274 -321.212 # jumping subtree containing (T0187)E312 jump= 0.122983 0.88644 -0.177937 0.409193 68.4582 -134.868 -274.456 # jumping subtree containing (T0187)I400 jump= 0.885986 0.344981 -0.305855 -0.0497061 -137.497 -122.246 -49.7083 # jumping subtree containing (T0187)G405 jump= 0.866796 0.349041 -0.0383459 -0.354068 -45.726 -152.791 -45.3356 # jumping subtree containing (T0187)L301 jump= -0.465084 0.0888867 -0.701109 0.533144 74.4496 -175.867 -263.49 # generation 125: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 395 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1630 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I400 jump= 0.988477 -0.0509509 0.0697124 0.124324 9.96834 41.0583 -27.9533 # jumping subtree containing (T0187)L337 jump= -0.947061 -0.270395 -0.0579027 -0.163126 37.9866 -72.554 -35.3591 # jumping subtree containing (T0187)G405 jump= 0.869551 -0.423754 0.105321 -0.230699 58.7907 107.277 -69.3228 # jumping subtree containing (T0187)G352 jump= -0.464143 -0.838977 -0.24817 -0.138206 54.2317 -108.98 -276.736 # jumping subtree containing (T0187)A359 jump= -0.557153 0.812893 0.151759 0.0758619 -6.75438 161.722 -234.652 # jumping subtree containing (T0187)A359 jump= 0.42284 -0.0944072 -0.281161 0.856295 -179.167 -10.878 -40.2661 # jumping subtree containing (T0187)G405 jump= -0.81363 -0.0235804 -0.555259 -0.170695 144.23 32.3015 -195.19 # jumping subtree containing (T0187)A359 jump= -0.907745 -0.418677 -0.0131705 0.0231172 7.18657 -129.18 -57.2464 # jumping subtree containing (T0187)T313 jump= -0.325677 0.188288 0.125659 0.917983 -23.1808 -19.3728 -11.1913 # jumping subtree containing (T0187)G405 jump= 0.359346 0.5164 0.68674 -0.364129 -36.0278 -163.541 -380.025 # generation 126: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 405 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1644 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.282417 -0.482783 -0.130508 -0.818614 109.006 -5.12961 -56.2143 # jumping subtree containing (T0187)L337 jump= 0.58567 -0.0121859 -0.807372 -0.0706597 -282.884 31.5052 -195.024 # jumping subtree containing (T0187)I400 jump= -0.921401 0.323042 -0.0815123 0.200048 54.9412 105.921 -48.9287 # jumping subtree containing (T0187)G405 jump= -0.0355691 0.38475 -0.872506 -0.299056 -140.088 76.0006 -404.266 # Removing break before 36 # jumping subtree containing (T0187)G405 jump= -0.515133 0.406218 0.523247 -0.543909 -241.963 17.9732 -197.432 # jumping subtree containing (T0187)T313 jump= 0.842277 -0.379354 0.164569 -0.345799 123.362 42.3228 -100.177 # jumping subtree containing (T0187)G352 jump= -0.694064 0.373005 -0.590406 -0.174823 93.2341 101.743 -246.753 # generation 127: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 410 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1663 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= -0.840752 0.338284 0.297327 -0.300492 -169.23 101.145 -71.0049 # generation 128: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 421 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1676 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.997083 -0.0206727 0.00778369 -0.0730559 18.6874 -2.20451 -4.86701 # jumping subtree containing (T0187)I363 jump= 0.652924 -0.693863 -0.0278197 0.302441 -110.094 181.118 -195.233 # Removing break before 36 # Removing break before 36 # jumping subtree containing (T0187)E312 jump= -0.997028 0.0767768 -0.00165571 0.0061073 19.1375 25.2907 8.48955 # jumping subtree containing (T0187)A369 jump= -0.761756 -0.333291 -0.362823 -0.420719 116.094 10.0692 -109.415 # jumping subtree containing (T0187)G405 jump= 0.879217 -0.0548059 0.205737 0.426201 44.6694 68.2955 -36.7314 # generation 129: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 430 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1691 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= -0.594934 -0.488939 0.637572 -0.0222369 -224.674 -149.248 -178.17 # jumping subtree containing (T0187)T404 jump= 0.464277 0.547826 0.687079 -0.110708 46.5935 -119.375 -368.727 # jumping subtree containing (T0187)G405 jump= -0.901368 0.286223 0.034478 0.323146 0.366728 80.1167 -23.516 # jumping subtree containing (T0187)G405 jump= 0.593663 -0.65797 0.24066 0.395881 -100.513 208.35 -257.008 # Removing break before 36 # jumping subtree containing (T0187)I363 jump= 0.823311 -0.241438 0.511517 0.0470953 100.667 68.5391 -162.558 # generation 130: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 437 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1708 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E312 jump= 0.80523 -0.0889842 0.53913 -0.230273 139.675 -41.8909 -188.423 # Removing break before 36 # jumping subtree containing (T0187)G405 jump= 0.971832 0.163609 0.112906 -0.126594 28.2568 -92.6173 -47.1266 # Removing break before 36 # Removing break before 36 # jumping subtree containing (T0187)G405 jump= -0.686786 -0.179797 -0.0402863 0.703118 -78.2308 -139.981 -49.5975 # jumping subtree containing (T0187)A369 jump= -0.586163 0.199382 0.182944 0.76367 -54.5401 29.6661 17.3953 # Removing break before 36 # jumping subtree containing (T0187)T313 jump= -0.978801 0.0883636 -0.176772 -0.0537758 50.7658 22.2565 -62.6449 # jumping subtree containing (T0187)G352 jump= -0.742614 -0.44575 -0.474409 0.157377 82.3334 -164.923 -196.619 # jumping subtree containing (T0187)G405 jump= 0.699702 0.049178 0.679698 -0.214496 153.925 -80.4119 -247.222 # jumping subtree containing (T0187)L337 jump= -0.707461 -0.500423 -0.495564 -0.0590948 120.795 -124.847 -221.138 # jumping subtree containing (T0187)L337 jump= -0.161358 -0.440574 -0.739807 0.482228 -138.266 -174.138 -396.87 # jumping subtree containing (T0187)G405 jump= -0.91998 -0.0110627 -0.384059 0.0775408 120.518 -44.4992 -118.027 # Removing break before 36 # jumping subtree containing (T0187)A359 jump= 0.224399 -0.641295 -0.313321 0.663488 -251.228 9.17399 -248.801 # generation 131: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 448 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1721 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= 0.439733 0.162372 -0.685143 -0.557538 -274.306 71.1483 -134.236 # jumping subtree containing (T0187)G405 jump= 0.0351846 0.601694 0.430635 -0.671774 -231.771 -115.622 -300.634 # jumping subtree containing (T0187)E328 jump= -0.328644 -0.834877 -0.0968555 -0.430804 110.619 -125.363 -215.291 # jumping subtree containing (T0187)L301 jump= 0.164446 -0.346101 -0.496727 0.778739 -243.391 -150.86 -214.594 # jumping subtree containing (T0187)G352 jump= 0.999657 -0.00351428 -0.0207516 0.015576 -18.5774 -17.6104 16.1299 # jumping subtree containing (T0187)L337 jump= -0.843434 0.092687 0.51976 0.0993869 -191.25 43.194 -56.7323 # jumping subtree containing (T0187)E312 jump= 0.235819 0.921973 -0.30443 0.0409586 -47.2021 -178.427 -353.12 # jumping subtree containing (T0187)E312 jump= -0.439091 -0.342642 0.544536 -0.627117 -133.854 -204.003 -98.8172 # jumping subtree containing (T0187)G405 jump= 0.941114 -0.102992 -0.181628 -0.265909 -52.2929 9.74193 -3.15308 # Removing break before 36 # generation 132: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 454 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1739 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G352 jump= -0.81429 0.466106 -0.204844 -0.278775 -29.3193 182.19 -135.525 # jumping subtree containing (T0187)E312 jump= -0.0409463 -0.0698902 0.97013 0.22866 -130.329 70.749 -336.021 # Removing break before 36 # jumping subtree containing (T0187)L337 jump= 0.98764 0.0711166 -0.131641 -0.0466988 -72.1178 -49.2315 7.5249 # Removing break before 36 # jumping subtree containing (T0187)G405 jump= 0.695311 0.354514 -0.503829 0.370162 -130.495 -193.788 -93.1459 # jumping subtree containing (T0187)A336 jump= 0.00750911 0.741644 0.184451 -0.644891 -263.64 -78.2656 -297.987 # generation 133: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 467 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1750 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.649298 0.14339 0.652237 0.36392 126.977 111.946 -220.138 # Removing break before 36 # jumping subtree containing (T0187)G405 jump= 0.135841 0.409017 0.180434 0.884135 76.2019 23.9779 -60.9645 # jumping subtree containing (T0187)A369 jump= -0.995475 -0.0507987 0.0414473 -0.0687855 -44.4814 -0.819517 12.6637 # jumping subtree containing (T0187)G405 jump= -0.312917 -0.771307 -0.364223 -0.417745 147.925 14.6346 -271.885 # jumping subtree containing (T0187)A369 jump= 0.213493 -0.272201 0.339102 0.874836 -190.555 149.841 -111.208 # Removing break before 36 # generation 134: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 477 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1764 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 36 # jumping subtree containing (T0187)G352 jump= 0.839986 -0.33433 0.232104 0.358852 -32.4132 150.139 -99.0522 # jumping subtree containing (T0187)E328 jump= 0.220002 0.0329521 0.572781 0.788945 -81.6482 168.528 -108.934 # jumping subtree containing (T0187)F309 jump= -0.978114 -0.184897 0.069911 0.0649502 -37.505 -73.861 -7.9014 # jumping subtree containing (T0187)L337 jump= 0.980319 0.124644 -0.023087 0.151347 8.2125 -34.9146 17.225 # jumping subtree containing (T0187)G405 jump= 0.749895 -0.352868 0.145878 0.540242 -78.7894 166.53 -95.6536 # Removing break before 36 # jumping subtree containing (T0187)A369 jump= -0.989307 -0.103588 -0.0841483 -0.0588273 41.8566 -37.5304 -25.0425 # jumping subtree containing (T0187)A359 jump= 0.532573 -0.147795 -0.463989 0.692269 -251.848 -17.2083 -68.6712 # Removing break before 36 # jumping subtree containing (T0187)A369 jump= -0.998505 0.00569347 -0.0414071 -0.0352257 7.59843 18.664 -5.48425 # generation 135: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 486 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1779 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E312 jump= -0.594508 -0.265372 -0.715411 -0.253625 122.467 63.6345 -258.082 # jumping subtree containing (T0187)A359 jump= -0.993034 0.0519382 -0.0657601 -0.08283 20.4619 41.4804 -26.49 # jumping subtree containing (T0187)I400 jump= 0.9407 -0.301763 0.148261 0.0451761 33.9994 110.597 -78.3644 # jumping subtree containing (T0187)A369 jump= -0.681596 -0.0663843 -0.6922 -0.22777 122.846 65.5283 -272.517 # jumping subtree containing (T0187)G405 jump= 0.321817 -0.0563285 0.83423 -0.444209 8.64173 -182.852 -341.395 # jumping subtree containing (T0187)A359 jump= -0.0532524 -0.371568 -0.674665 -0.635554 -2.12072 181.308 -177.965 # jumping subtree containing (T0187)G405 jump= 0.90747 -0.0538387 -0.416403 -0.0144406 -169.598 47.7592 -32.8064 # generation 136: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 491 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1798 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= 0.961563 -0.0962634 0.0958183 -0.238638 45.8854 3.321 -47.3544 # jumping subtree containing (T0187)I400 jump= -0.092298 0.994961 -0.0281225 0.0272687 5.35074 18.3223 -409.598 # jumping subtree containing (T0187)E312 jump= 0.349505 0.603827 -0.389985 0.600958 -8.27702 -201.504 -117.349 # jumping subtree containing (T0187)G405 jump= -0.167571 0.672657 0.204619 0.691074 110.752 94.2536 -152.735 # jumping subtree containing (T0187)G405 jump= 0.800562 -0.17914 -0.558098 0.124642 -247.505 56.4146 -81.5505 # jumping subtree containing (T0187)I363 jump= 0.0267262 -0.994168 0.0495928 -0.0919598 12.3417 -34.0544 -327.238 # jumping subtree containing (T0187)G405 jump= 0.4919 -0.268877 -0.255208 0.787787 -206.523 -16.9697 -88.597 # generation 137: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 503 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1810 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E312 jump= -0.99992 0.00622989 -0.0109653 -0.000364429 10.1 -1.61132 -18.5087 # jumping subtree containing (T0187)A369 jump= -0.0981385 -0.284303 0.945152 0.127388 -185.56 -17.5056 -363.825 # jumping subtree containing (T0187)I363 jump= -0.995601 -0.0231213 0.0907885 -0.00103992 -34.1819 0.192152 22.4814 # jumping subtree containing (T0187)G405 jump= 0.859547 0.0648593 -0.138058 -0.487763 -91.3707 -51.8009 -12.6322 # jumping subtree containing (T0187)E328 jump= -0.0926216 -0.593713 0.638737 -0.480563 -38.8442 -213.579 -281.085 # jumping subtree containing (T0187)G405 jump= 0.986065 0.0110672 -0.154262 -0.0612904 -79.0024 -2.22227 -3.02709 # jumping subtree containing (T0187)A369 jump= -0.808827 -0.155279 -0.270162 -0.498697 44.1951 57.7896 -70.5327 # jumping subtree containing (T0187)T313 jump= 0.459155 -0.692901 -0.364429 0.419828 -231.102 64.0025 -273.458 # jumping subtree containing (T0187)G405 jump= -0.305013 -0.151816 -0.168965 -0.924862 -15.9722 44.128 6.58131 # generation 138: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 509 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1828 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I400 jump= -0.684283 -0.638233 -0.0274397 0.351658 -113.25 -244.89 -170.511 # jumping subtree containing (T0187)T401 jump= -0.448632 0.599281 0.547552 -0.373869 -246.809 58.2436 -304.054 # generation 139: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 516 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1845 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A359 jump= 0.635397 0.0441111 -0.770719 -0.0178211 -244.146 0.0190086 -155.502 # jumping subtree containing (T0187)A336 jump= -0.9979 -0.0471724 -0.0429787 -0.0111025 5.91993 -37.5295 -16.2598 # jumping subtree containing (T0187)G405 jump= 0.946819 -0.111735 0.110116 -0.280933 57.3748 0.298249 -38.62 # jumping subtree containing (T0187)L301 jump= 0.763746 -0.290339 -0.2035 0.539428 -201.595 64.9799 -52.8077 # jumping subtree containing (T0187)G405 jump= 0.295775 -0.950356 0.0300499 0.0918567 -53.0066 82.7468 -381.073 # jumping subtree containing (T0187)G405 jump= -0.998368 -0.0418465 -0.0169457 0.0349687 14.821 -22.978 -13.6035 # jumping subtree containing (T0187)I363 jump= -0.869801 0.223089 0.34896 -0.26815 -158.356 79.0318 -9.88439 # generation 140: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 524 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1861 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E328 jump= -0.669943 -0.440829 -0.538841 -0.257869 137.393 -6.93208 -218.2 # jumping subtree containing (T0187)L337 jump= -0.9669 -0.144244 0.171931 0.121397 -97.8842 -65.6357 31.0643 # jumping subtree containing (T0187)A369 jump= -0.304855 0.751038 0.550099 0.200987 -40.8637 181.801 -305.165 # jumping subtree containing (T0187)I400 jump= 0.497721 0.73802 -0.38375 -0.245633 -184.281 -184.378 -251.019 # jumping subtree containing (T0187)G405 jump= 0.999264 0.0116381 -0.0348749 -0.0109476 -38.4096 -11.4636 -9.80532 # jumping subtree containing (T0187)I363 jump= 0.980809 -0.139547 -0.0834593 0.107585 -49.877 50.2743 16.434 # jumping subtree containing (T0187)T313 jump= -0.854624 0.243847 -0.362895 0.280114 142.889 13.0637 -117.448 # jumping subtree containing (T0187)I363 jump= -0.326012 0.881133 -0.340512 0.0370321 22.8323 31.6476 -346.978 # generation 141: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 531 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1878 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.671681 -0.0368237 0.427542 0.603901 47.6769 155.183 -77.9033 # jumping subtree containing (T0187)I400 jump= -0.373506 0.429861 -0.597275 0.564779 96.2006 -150.269 -252.472 # jumping subtree containing (T0187)L337 jump= 0.80138 -0.257034 -0.0182671 0.539805 -124.998 124.428 -57.1068 # jumping subtree containing (T0187)E328 jump= -0.907283 -0.332226 -0.253236 -0.0483276 114.826 -102.714 -79.978 # Removing break before 36 # jumping subtree containing (T0187)R325 jump= 0.369653 0.0671769 0.767761 0.519025 19.2597 154 -248.266 # jumping subtree containing (T0187)L337 jump= -0.999332 0.0351003 0.00959693 -0.00332542 -11.4243 28.2355 4.93253 # generation 142: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 542 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1891 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.99425 -0.0417872 -0.0473131 0.0865042 -3.73458 -40.9437 -8.3049 # jumping subtree containing (T0187)G405 jump= 0.996095 -0.0424469 -0.0773037 -0.00413166 -24.281 10.946 1.07844 # Removing break before 36 # jumping subtree containing (T0187)A359 jump= -0.212567 0.852876 0.0846063 -0.469319 -185.6 52.8629 -306.119 # jumping subtree containing (T0187)A369 jump= 0.468044 0.301749 0.548971 0.623307 82.3012 101.499 -156.633 # jumping subtree containing (T0187)G405 jump= -0.0700976 0.141774 0.792737 -0.588688 -171.189 -201.335 -292.641 # jumping subtree containing (T0187)G405 jump= 0.893449 0.29044 0.34199 0.0208792 109.242 -109.313 -123.231 # generation 143: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 552 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1905 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.361927 0.255535 -0.645299 -0.622335 -83.3852 183.698 -242.352 # jumping subtree containing (T0187)G405 jump= 0.908725 0.030818 0.405215 0.095241 118.94 19.2342 -126.154 # jumping subtree containing (T0187)I363 jump= -0.916189 -0.0116598 0.398423 0.0414953 -177.543 -4.86038 12.5755 # jumping subtree containing (T0187)T404 jump= -0.869172 0.326517 -0.34226 0.14417 109.181 84.5061 -129.958 # jumping subtree containing (T0187)T313 jump= 0.766026 -0.419416 -0.330801 -0.357583 -58.0211 139.468 -58.559 # jumping subtree containing (T0187)I400 jump= -0.794129 0.569212 -0.0468496 -0.207754 -47.3223 218.265 -149.526 # jumping subtree containing (T0187)L337 jump= 0.530058 0.72756 -0.217217 0.377507 30.9214 -245.165 -165.423 # jumping subtree containing (T0187)L337 jump= 0.868954 -0.306135 -0.158451 -0.355098 -0.842951 103.612 -24.5515 # jumping subtree containing (T0187)G405 jump= 0.464196 -0.444173 0.206585 0.73794 -190.837 161.696 -132.05 # jumping subtree containing (T0187)I400 jump= 0.582945 -0.43154 0.0723267 0.684629 -159.39 153.242 -119.546 # jumping subtree containing (T0187)G405 jump= -0.998597 -0.0139455 0.0029928 0.0509958 -9.99897 -15.1032 -19.8106 # generation 144: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 563 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1918 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.9587 -0.27543 -0.0464916 0.0535888 -30.3224 112.711 -35.8401 # jumping subtree containing (T0187)G405 jump= 0.54461 -0.735805 -0.278868 -0.290212 11.6352 173.985 -247.633 # jumping subtree containing (T0187)I363 jump= -0.847498 0.441706 -0.230047 0.183636 110.571 59.9898 -115.07 # jumping subtree containing (T0187)E312 jump= -0.851781 -0.287358 0.36202 -0.246649 -137.166 -142.169 -21.9074 # jumping subtree containing (T0187)G405 jump= 0.98181 -0.0461661 -0.131699 0.128733 -56.4715 18.274 -20.3694 # jumping subtree containing (T0187)G405 jump= 0.980919 0.159035 0.0115163 0.111237 19.6578 -64.4534 -11.6796 # jumping subtree containing (T0187)G405 jump= -0.202317 -0.695899 -0.177758 0.665728 -202.933 -128.363 -275.388 # Removing break before 36 # jumping subtree containing (T0187)I400 jump= 0.916853 -0.297281 0.0853754 -0.252421 89.4005 73.3473 -53.0682 # jumping subtree containing (T0187)T404 jump= -0.788602 0.543097 0.171867 0.231548 16.2406 167.658 -120.3 # jumping subtree containing (T0187)T401 jump= 0.556485 0.55903 0.158381 -0.593908 -144.755 -202.563 -179.344 # jumping subtree containing (T0187)A369 jump= -0.488124 -0.700324 0.488351 0.181095 -175.827 -192.255 -247.565 # jumping subtree containing (T0187)A369 jump= -0.778711 0.333093 0.287191 -0.447414 -182.964 110.348 -85.0785 # jumping subtree containing (T0187)A359 jump= -0.999313 0.0239232 -0.00802686 -0.0271549 16.5355 24.3175 4.88329 # jumping subtree containing (T0187)I400 jump= -0.3336 0.88067 0.334788 0.0323636 -25.0464 132.282 -369.346 # generation 145: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 572 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1933 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= -0.636302 -0.29318 0.713047 0.0269825 -294.893 -126.127 -161.309 # jumping subtree containing (T0187)I400 jump= -0.404479 0.23034 -0.627255 0.624413 50.4644 -198.025 -214.799 # Removing break before 36 # generation 146: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 579 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1950 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A359 jump= 0.115105 -0.090679 0.395308 0.906786 -172.458 128.619 -56.7882 # jumping subtree containing (T0187)G405 jump= -0.878158 -0.0958281 0.316816 0.345373 -149.457 -55.7075 -20.1904 # jumping subtree containing (T0187)A359 jump= 0.972325 -0.0580262 -0.0137518 -0.225894 6.68735 1.63237 -13.9134 # jumping subtree containing (T0187)G405 jump= 0.943739 0.280042 -0.0164808 0.175102 -3.48031 -94.9 -13.3747 # jumping subtree containing (T0187)A369 jump= 0.939313 -0.21007 -0.116382 0.244983 -87.4302 107.426 -0.0917244 # jumping subtree containing (T0187)I400 jump= 0.169567 -0.392047 0.464881 -0.77552 61.0342 -175.183 -169.444 # jumping subtree containing (T0187)L337 jump= 0.962676 -0.0942924 0.24428 -0.0684951 90.0393 14.0003 -62.2435 # jumping subtree containing (T0187)G405 jump= -0.44078 0.822697 0.15447 -0.324069 -160.185 147.572 -340.48 # jumping subtree containing (T0187)T313 jump= 0.654448 0.206797 -0.152691 0.711068 -66.7721 -79.1954 32.5787 # jumping subtree containing (T0187)G405 jump= -0.955913 0.259063 -0.0311741 0.134705 17.2641 82.8083 -48.7826 # generation 147: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 590 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1963 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= -0.152455 0.400181 -0.590341 -0.684186 -207.525 130.625 -217.843 # jumping subtree containing (T0187)T404 jump= -0.663531 0.365234 -0.645391 0.098996 132.88 21.9161 -278.515 # jumping subtree containing (T0187)G405 jump= 0.498766 0.505983 -0.685177 0.160453 -161.944 -183.404 -234.076 # jumping subtree containing (T0187)G405 jump= 0.0688528 0.0567701 0.699226 0.709309 -93.1502 210.656 -203.499 # jumping subtree containing (T0187)T313 jump= -0.949763 0.0585663 -0.302739 0.053558 94.7501 30.4321 -85.7613 # jumping subtree containing (T0187)E328 jump= 0.957327 -0.0749252 0.216765 0.175852 54.9067 44.5767 -32.1604 # jumping subtree containing (T0187)G405 jump= -0.710342 -0.378854 -0.470377 0.361427 67.4445 -205.148 -183.522 # generation 148: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 598 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1979 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.989152 0.0803054 0.0903191 0.0834957 -25.5273 49.8385 -5.33669 # jumping subtree containing (T0187)E312 jump= -0.999333 0.0305041 0.0132745 0.0150367 5.13658 20.0978 14.7775 # Removing break before 36 # jumping subtree containing (T0187)G405 jump= -0.976714 -0.172253 0.127001 -0.0151215 -37.5677 -85.5814 19.23 # jumping subtree containing (T0187)E312 jump= -0.387638 -0.362327 -0.845753 0.0561979 72.2919 -42.0895 -370.937 # jumping subtree containing (T0187)A359 jump= -0.637861 -0.518244 -0.33879 -0.458014 126.192 24.6262 -139.065 # jumping subtree containing (T0187)E328 jump= -0.51843 -0.674984 -0.505333 0.142355 46.7429 -173.622 -321.086 # jumping subtree containing (T0187)G405 jump= -0.987927 0.121648 0.0872164 -0.0399503 -28.828 45.5487 -16.0407 # jumping subtree containing (T0187)T313 jump= -0.865119 0.186378 0.437289 0.160036 -145.616 51.9942 -38.7422 # jumping subtree containing (T0187)G405 jump= 0.74658 -0.237395 -0.596296 0.175193 -260.866 46.9153 -151.563 # jumping subtree containing (T0187)A369 jump= -0.984194 -0.0966283 0.00995777 -0.148074 -16.8508 -34.7862 -16.7751 # jumping subtree containing (T0187)I400 jump= -0.918341 -0.235368 -0.0147392 -0.317859 10.7228 -80.0002 -12.1319 # generation 149: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 606 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 1995 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing (T0187)E328 jump= -0.964262 -0.00343315 0.203864 0.169193 -96.8312 3.00632 6.47721 # jumping subtree containing (T0187)I363 jump= -0.906222 -0.420541 0.0394273 -0.0187689 -10.6923 -146.565 -37.6523 # jumping subtree containing (T0187)I400 jump= 0.882623 0.289292 0.350256 -0.120865 97.3855 -142.448 -120.664 # jumping subtree containing (T0187)A359 jump= 0.888569 -0.105274 -0.290407 -0.339155 -113.355 27.3266 20.7273 # jumping subtree containing (T0187)G405 jump= -0.998152 0.0547825 0.0203342 0.0166594 -19.783 20.3371 -15.2694 # jumping subtree containing (T0187)E312 jump= 0.414861 -0.798164 -0.292692 -0.324279 25.4652 138.56 -237.559 # jumping subtree containing (T0187)G405 jump= -0.999109 -0.0110678 -0.0117649 0.0390003 25.3285 -21.1617 17.3124 # generation 150: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 611 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2014 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E312 jump= -0.69573 -0.261707 -0.411865 0.527103 54.9887 -198.646 -144.689 # jumping subtree containing (T0187)I400 jump= 0.974456 -0.208341 0.0595678 -0.0590054 48.2169 87.4786 -27.5835 # jumping subtree containing (T0187)L337 jump= -0.980782 0.183483 0.00820734 -0.0658329 9.40732 72.6027 -10.0004 # jumping subtree containing (T0187)A369 jump= 0.99789 -0.0308858 -0.0254455 0.0511355 2.98582 26.5918 0.107708 # jumping subtree containing (T0187)E312 jump= 0.27639 0.351054 -0.584534 0.677266 -95.732 -204.313 -150.11 # jumping subtree containing (T0187)G405 jump= 0.618809 -0.710528 0.180981 0.281908 -55.3107 188.765 -247.442 # jumping subtree containing (T0187)G405 jump= 0.836838 -0.152123 0.362405 0.381081 70.1963 158.58 -118.881 # generation 151: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 618 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2031 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A359 jump= -0.699632 0.137252 -0.25988 0.65126 42.3101 -129.944 -43.8452 # jumping subtree containing (T0187)E312 jump= -0.18412 0.706437 -0.668645 -0.141279 -91.1605 2.67653 -383.37 # jumping subtree containing (T0187)A359 jump= -0.947546 -0.029417 0.26216 -0.180455 -86.7933 -4.11062 11.1059 # jumping subtree containing (T0187)T313 jump= -0.874572 -0.478694 0.0612709 -0.0471328 -22.5872 -172.543 -48.8882 # jumping subtree containing (T0187)I400 jump= 0.651839 0.718675 -0.162477 -0.179481 -85.5606 -241.175 -207.871 # jumping subtree containing (T0187)A359 jump= -0.969366 0.00584377 0.167111 -0.179916 -61.425 15.3238 19.3139 # jumping subtree containing (T0187)L301 jump= -0.844547 0.426842 0.300129 -0.120287 -139.09 163.568 -88.6351 # jumping subtree containing (T0187)A359 jump= -0.591242 -0.0557588 -0.777326 -0.207578 97.3292 54.688 -300.009 # Removing break before 36 # jumping subtree containing (T0187)I363 jump= 0.862643 0.245348 -0.167327 -0.409454 -112.583 -121.109 4.39176 # jumping subtree containing (T0187)K303 jump= -0.0396299 -0.300941 -0.884182 -0.355086 -46.6145 137.404 -319.688 # jumping subtree containing (T0187)T313 jump= 0.960356 0.0568151 -0.127982 0.241059 -43.3509 -27.5853 9.03497 # generation 152: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 625 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2048 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing (T0187)T401 jump= -0.583732 -0.316036 0.712828 0.226394 -251.531 -75.3537 -200.158 # jumping subtree containing (T0187)L337 jump= -0.632158 0.741837 0.19437 0.11079 -28.6228 182.809 -255.19 # jumping subtree containing (T0187)I363 jump= 0.0457903 -0.507187 -0.71905 0.472898 -183.056 -80.0037 -302.308 # jumping subtree containing (T0187)E312 jump= 0.928236 0.0464463 -0.240822 -0.279686 -84.0119 -10.499 17.2362 # generation 153: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 631 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2066 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= 0.0581636 0.361477 0.0795977 0.927154 29.8899 -42.5013 -1.72506 # jumping subtree containing (T0187)E312 jump= -0.9927 -0.0685867 -0.0259071 0.0957683 25.9013 -49.829 0.669135 # jumping subtree containing (T0187)E328 jump= -0.0107774 0.0178765 -0.466056 0.884509 -132.432 -195.912 -115.778 # jumping subtree containing (T0187)I400 jump= -0.989508 0.0289446 -0.0790543 0.117418 45.203 -20.4837 -10.9966 # jumping subtree containing (T0187)L301 jump= -0.458165 -0.609786 -0.646447 -0.0187619 99.2122 -71.9408 -355.033 # jumping subtree containing (T0187)L337 jump= 0.900086 -0.328448 0.281384 -0.052826 80.3099 91.0441 -126.933 # generation 154: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 639 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2082 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= -0.66029 0.614256 -0.284341 0.325355 123.437 58.1003 -197.441 # jumping subtree containing (T0187)A369 jump= 0.74469 0.13018 0.648928 -0.0859177 143.592 -42.7593 -233.926 # jumping subtree containing (T0187)I363 jump= 0.94406 0.0757462 -0.0471072 -0.31748 -17.9425 -76.6119 13.3137 # jumping subtree containing (T0187)I400 jump= 0.996698 0.0142394 0.078319 0.0160388 26.9175 -10.6196 -34.1849 # jumping subtree containing (T0187)I363 jump= 0.58603 0.58724 -0.466455 -0.30682 -229.917 -152.721 -177.036 # Removing break before 36 # jumping subtree containing (T0187)T357 jump= -0.869455 -0.190619 0.454585 0.0326432 -186.365 -80.3809 -24.3683 # jumping subtree containing (T0187)A359 jump= -0.708349 0.204611 0.654282 -0.1682 -250.627 71.0209 -127.88 # jumping subtree containing (T0187)E312 jump= 0.547893 0.546106 -0.553148 0.309207 -117.585 -235.323 -180.946 # jumping subtree containing (T0187)G405 jump= 0.099827 -0.3586 -0.252493 0.893134 -236.344 -73.9896 -123.081 # generation 155: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 651 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2094 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.902463 -0.13268 0.408352 0.0347277 146.601 45.6456 -110.646 # jumping subtree containing (T0187)E312 jump= 0.986564 0.0059433 -0.135065 -0.0917272 -64.7008 9.49193 -8.46418 # jumping subtree containing (T0187)G405 jump= 0.00507766 -0.333114 0.534589 0.776675 -197.263 150.744 -175.129 # jumping subtree containing (T0187)L301 jump= -0.800787 -0.0532353 -0.505437 -0.316922 129.476 85.0824 -158.423 # jumping subtree containing (T0187)G352 jump= -0.185391 -0.114017 -0.514451 0.82944 -85.0103 -195.189 -129.059 # jumping subtree containing (T0187)G405 jump= 0.934803 -0.0229028 0.315845 0.160813 95.3746 65.4835 -81.0587 # Removing break before 36 # jumping subtree containing (T0187)G405 jump= 0.356433 0.289575 -0.451632 0.764938 -80.1542 -164.826 -87.1221 # jumping subtree containing (T0187)I400 jump= 0.0805719 0.0416899 0.530599 0.842754 -88.4454 180.973 -132.434 # jumping subtree containing (T0187)A369 jump= -0.888345 0.21772 0.403739 -0.0208585 -144.529 87.2997 -41.0426 # jumping subtree containing (T0187)I363 jump= 0.862581 -0.0912448 0.464808 0.177714 92.0189 56.9316 -118.776 # Removing break before 36 # generation 156: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 657 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2112 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing (T0187)E312 jump= 0.572624 -0.451671 0.370955 -0.574881 152.157 -83.4635 -144.812 # jumping subtree containing (T0187)T401 jump= 0.923395 0.377202 0.0289848 0.06496 34.458 -138.287 -57.307 # jumping subtree containing (T0187)G405 jump= -0.985397 0.0718064 -0.0203575 -0.153045 -10.9355 36.0478 13.3329 # jumping subtree containing (T0187)G405 jump= 0.9714 -0.226058 -0.0672076 -0.0276219 -30.3977 80.3894 -22.8707 # jumping subtree containing (T0187)E328 jump= -0.128393 0.960608 -0.237777 0.0648762 29.9069 -26.5952 -386.443 # generation 157: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 661 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2132 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I400 jump= -0.906345 -0.285076 -0.272604 0.151519 63.2225 -140.395 -99.6604 # jumping subtree containing (T0187)A369 jump= -0.771861 -0.464358 -0.376108 -0.217128 143 -76.9248 -173.819 # jumping subtree containing (T0187)L337 jump= 0.820957 0.345814 -0.400299 -0.214949 -187.711 -117.43 -56.6148 # jumping subtree containing (T0187)G405 jump= -0.662988 0.268572 0.502337 -0.485771 -255.399 11.2689 -108.331 # jumping subtree containing (T0187)A359 jump= 0.38877 0.070755 -0.577559 0.714337 -189.702 -121.183 -71.159 # generation 158: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 669 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2148 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.342328 -0.919648 -0.0111221 0.192183 -80.5257 92.3726 -312.064 # jumping subtree containing (T0187)I400 jump= -0.574864 -0.778744 0.249581 0.0282505 -81.6424 -240.594 -253.749 # jumping subtree containing (T0187)G405 jump= 0.99089 0.0444665 -0.119931 0.0421499 -54.6748 -15.6921 4.99175 # jumping subtree containing (T0187)G405 jump= 0.941874 0.317396 -0.0737299 -0.0818391 -45.2697 -126.208 -22.3381 # jumping subtree containing (T0187)G405 jump= 0.74994 -0.207574 -0.311015 -0.545685 -94.7836 109.986 -4.27346 # jumping subtree containing (T0187)E328 jump= -0.17511 0.679503 0.691615 0.171117 -38.1379 145.226 -348.935 # jumping subtree containing (T0187)G352 jump= -0.367096 0.481513 -0.29563 -0.738911 -194.264 142.951 -188.579 # jumping subtree containing (T0187)T401 jump= -0.314212 0.603622 0.698333 -0.221905 -199.943 51.7789 -375.098 # jumping subtree containing (T0187)N409 jump= 0.89235 -0.248975 -0.302305 -0.224354 -96.9521 80.5756 -38.091 # generation 159: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 677 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2164 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= -0.182334 0.742237 0.0822229 0.639593 152.375 9.30125 -154.521 # jumping subtree containing (T0187)I400 jump= -0.918311 0.119304 -0.123139 0.356804 73.3581 -36.6929 -21.4258 # jumping subtree containing (T0187)E312 jump= -0.990652 -0.0692812 0.0746052 0.0907857 -36.7444 -42.099 -15.8416 # jumping subtree containing (T0187)L337 jump= -0.143916 0.137212 0.571754 0.795964 -115.963 157.652 -87.6867 # jumping subtree containing (T0187)I400 jump= 0.953741 -0.193836 0.0263836 0.228276 -32.2062 91.2683 -45.8462 # jumping subtree containing (T0187)L301 jump= 0.237957 0.463445 0.585337 -0.621269 -121.105 -204.77 -262.153 # jumping subtree containing (T0187)L337 jump= -0.452267 -0.727296 0.310705 0.412259 -202.479 -186.227 -261.587 # jumping subtree containing (T0187)E328 jump= -0.920958 0.242331 -0.280167 0.120908 98.9649 46.0351 -77.9211 # jumping subtree containing (T0187)E328 jump= -0.977684 0.0164608 -0.0311943 0.207097 23.8028 -42.1904 -1.96334 # jumping subtree containing (T0187)G405 jump= 0.222412 -0.178197 0.798182 -0.530739 -7.55803 -194.897 -294.774 # jumping subtree containing (T0187)E312 jump= 0.412188 -0.831966 -0.197233 -0.314695 89.7717 113.649 -235.913 # jumping subtree containing (T0187)A359 jump= -0.982349 -0.000757997 -0.151787 0.10932 48.6427 -29.5773 -25.5916 # jumping subtree containing (T0187)L301 jump= -0.999358 0.022557 0.025752 -0.0105855 -15.2057 -2.0705 3.12073 # jumping subtree containing (T0187)E338 jump= 0.991907 0.0525611 -0.115462 0.00514399 -55.0279 -20.6692 7.19022 # Removing break before 36 # generation 160: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 683 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2191 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= 0.0645474 -0.838207 0.468143 0.272186 -124.766 -29.7262 -423.693 # jumping subtree containing (T0187)L337 jump= -0.362415 0.346656 0.308247 0.808374 -10.8984 88.9298 -38.1761 # jumping subtree containing (T0187)E312 jump= -0.638623 0.661366 -0.276259 0.280065 96.533 71.6497 -236.133 # jumping subtree containing (T0187)E312 jump= -0.245699 -0.889469 0.317351 0.218554 -159.929 -155.203 -341.006 # jumping subtree containing (T0187)A369 jump= 0.300562 -0.00229894 -0.802916 0.514766 -204.128 -135.17 -225.548 # jumping subtree containing (T0187)L301 jump= 0.953914 -0.277916 -0.0758605 0.0840012 -24.8563 111.118 -43.4814 # jumping subtree containing (T0187)G405 jump= -0.0772016 -0.419112 0.360287 0.829806 -261.321 88.9773 -152.972 # jumping subtree containing (T0187)L411 jump= 0.481418 -0.327766 0.76378 0.278293 38.0302 108.981 -341.379 # generation 161: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 687 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2211 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= -0.0697602 -0.747213 0.556579 -0.356408 -9.13303 -170 -288.398 # jumping subtree containing (T0187)E312 jump= -0.999576 0.0274164 -6.681e-05 -0.00979131 2.52424 -0.689509 -8.80212 # jumping subtree containing (T0187)L337 jump= 0.689381 -0.219967 -0.556401 0.408394 -303.767 18.1235 -127.406 # jumping subtree containing (T0187)L337 jump= 0.99836 -0.0394321 0.019918 -0.0364041 -2.0498 22.3347 0.910086 # jumping subtree containing (T0187)F309 jump= 0.999931 0.00431241 -0.00762136 -0.0078776 1.61057 -6.92884 -1.50407 # jumping subtree containing (T0187)G405 jump= -0.117295 -0.362343 -0.0160109 -0.924496 21.4581 -27.3945 -31.4475 # jumping subtree containing (T0187)G352 jump= 0.873833 0.0281305 0.121753 0.469894 -2.5973 61.1728 -41.7641 # jumping subtree containing (T0187)L337 jump= -0.971169 0.0050869 0.215704 -0.101374 -98.5711 19.8827 -12.107 # jumping subtree containing (T0187)L337 jump= 0.80847 -0.251708 -0.463624 0.260905 -233.787 90.0498 -66.3261 # jumping subtree containing (T0187)A359 jump= 0.80681 0.455621 0.299742 0.227206 115.033 -61.8545 -117.301 # generation 162: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 695 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2227 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q327 jump= 0.811207 -0.219389 0.529166 -0.117454 152.36 12.9939 -199.034 # jumping subtree containing (T0187)G405 jump= -0.45781 0.460636 0.7106 -0.270688 -221.5 59.5021 -293.397 # jumping subtree containing (T0187)A359 jump= -0.214106 0.143665 -0.65676 0.70865 -53.0588 -191.219 -167.276 # jumping subtree containing (T0187)I400 jump= 0.673269 0.384992 -0.49211 0.395371 -145.927 -165.582 -111.728 # jumping subtree containing (T0187)T313 jump= -0.0150034 0.0902783 -0.995761 0.00925647 -142.165 -23.7239 -394.728 # jumping subtree containing (T0187)E338 jump= -0.772645 -0.313474 -0.485584 -0.262606 143.15 -2.13967 -178.833 # jumping subtree containing (T0187)L337 jump= -0.693232 0.169285 -0.318402 -0.624012 -42.6854 183.738 -120.528 # jumping subtree containing (T0187)E312 jump= -0.690808 -0.525138 -0.496198 -0.0283098 139.116 -101.356 -224.082 # jumping subtree containing (T0187)G405 jump= -0.193015 -0.0875821 0.628949 0.747996 -197.393 165.732 -157.26 # jumping subtree containing (T0187)L411 jump= -0.320924 -0.577332 -0.324903 0.676856 -154.853 -206.043 -220.968 # jumping subtree containing (T0187)A359 jump= -0.0617593 0.599722 -0.793072 0.0869271 -56.6948 -91.609 -389.269 # jumping subtree containing (T0187)A369 jump= -0.838781 0.0623276 0.373825 0.390917 -157.003 22.7065 -22.7763 # generation 163: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 700 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2246 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.491307 -0.663816 0.562569 -0.0384839 97.2927 56.7672 -353.381 # jumping subtree containing (T0187)G405 jump= 0.669208 -0.652519 0.0655543 0.349404 -100.338 201.176 -208.733 # jumping subtree containing (T0187)G405 jump= -0.968582 -0.202061 0.134931 0.05304 -87.1536 -82.6899 -6.89261 # jumping subtree containing (T0187)L337 jump= -0.997619 -0.0282082 -0.0506549 -0.0373464 23.1328 -4.33113 5.12739 # jumping subtree containing (T0187)G405 jump= -0.827026 -0.152392 -0.056188 -0.538189 -4.01727 24.2061 0.59167 # generation 164: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 705 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2265 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A359 jump= -0.583355 0.717385 -0.0783152 0.372723 97.7654 80.6149 -166.698 # jumping subtree containing (T0187)L337 jump= -0.00242108 -0.330421 0.942774 0.0446387 -157.029 -18.7828 -445.174 # jumping subtree containing (T0187)A369 jump= 0.238214 0.506043 -0.725449 0.401122 -95.0873 -212.043 -264.878 # jumping subtree containing (T0187)L337 jump= -0.660577 -0.448046 0.0824014 0.596743 -166.376 -193.956 -71.5943 # jumping subtree containing (T0187)G405 jump= -0.801376 0.5052 -0.218828 0.233846 103.935 101.056 -168.362 # jumping subtree containing (T0187)A359 jump= 0.119584 0.874751 -0.274087 -0.381297 -186.463 -58.2876 -336.332 # jumping subtree containing (T0187)G405 jump= -0.648753 0.0168206 0.758909 0.0537897 -272.135 -0.616381 -170.797 # generation 165: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 711 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2283 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= 0.118624 -0.00845943 0.961733 -0.246831 -64.9944 -108.772 -414.562 # jumping subtree containing (T0187)G405 jump= -0.295315 -0.696338 0.198427 -0.623321 105.918 -155.925 -183.821 # jumping subtree containing (T0187)G405 jump= 0.361653 -0.638794 -0.673394 -0.0876968 -107.645 170.885 -340.464 # jumping subtree containing (T0187)G405 jump= -0.999227 0.00548567 -0.00653589 0.0383722 22.7977 -0.284728 -1.05325 # jumping subtree containing (T0187)G405 jump= 0.128152 0.409629 0.321028 0.844229 81.4793 103.475 -95.5962 # jumping subtree containing (T0187)E328 jump= 0.639304 0.19028 -0.511906 0.541327 -195.044 -126.301 -74.3863 # jumping subtree containing (T0187)L337 jump= 0.519894 0.499117 -0.213513 0.659549 -12.6195 -176.498 -74.2888 # jumping subtree containing (T0187)G405 jump= -0.875007 -0.153952 -0.13978 0.437176 -0.145857 -124.145 -28.2861 # jumping subtree containing (T0187)A359 jump= 0.84936 0.494609 0.151582 0.104753 64.0557 -125.611 -119.064 # jumping subtree containing (T0187)E312 jump= -0.0980351 0.172422 -0.790237 0.579815 -46.6662 -188.165 -262.814 # jumping subtree containing (T0187)L337 jump= -0.999156 -0.0394465 -0.0103056 -0.00497175 -16.1262 -32.1827 2.19454 # jumping subtree containing (T0187)L337 jump= 0.349232 -0.0683521 -0.90186 0.244976 -273.199 -61.9309 -307.19 # jumping subtree containing (T0187)A359 jump= 0.897154 -0.392462 0.199764 -0.0343917 62.1642 120.623 -85.0394 # jumping subtree containing (T0187)A369 jump= 0.996472 -0.0679809 0.0109535 -0.0479731 10.2388 25.2986 16.4186 # jumping subtree containing (T0187)I412 jump= 0.83958 -0.253031 -0.174971 -0.447735 -56.1987 79.6152 -14.1686 # generation 166: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 718 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2300 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A359 jump= 0.273695 0.247298 0.929389 -0.013066 -34.3066 -16.1916 -370.521 # jumping subtree containing (T0187)L301 jump= 0.874495 -0.45321 0.127159 0.117006 30.3441 159.164 -116.571 # jumping subtree containing (T0187)T313 jump= 0.578931 0.260473 -0.0542166 -0.770748 -111.465 -127.527 -40.8144 # jumping subtree containing (T0187)E328 jump= 0.990501 0.0854355 -0.00842938 0.107416 11.9855 -28.9589 17.1776 # jumping subtree containing (T0187)E338 jump= 0.414917 -0.224832 0.853882 -0.219498 53.627 -105.34 -388.08 # jumping subtree containing (T0187)I400 jump= -0.668976 0.117813 -0.620302 0.392196 116.486 -95.9041 -216.753 # jumping subtree containing (T0187)E338 jump= -0.876019 0.426587 -0.118023 -0.191532 -7.25431 164.701 -118.821 # jumping subtree containing (T0187)L301 jump= 0.784376 -0.484737 0.359895 0.142336 70.1124 142.116 -192.148 # generation 167: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 725 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2317 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= -0.513899 -0.773083 -0.106768 -0.356163 143.323 -152.812 -202.288 # jumping subtree containing (T0187)A369 jump= -0.254892 0.61563 0.347223 -0.659899 -284.248 5.74068 -252.044 # jumping subtree containing (T0187)L337 jump= 0.987596 0.0141809 0.0840579 -0.131859 26.4077 -40.6721 -5.11876 # jumping subtree containing (T0187)L337 jump= 0.0526682 0.466105 0.810146 0.351619 14.4094 147.46 -355.854 # jumping subtree containing (T0187)A369 jump= -0.905653 -0.0256196 0.122589 -0.405102 -78.0087 43.9963 8.12186 # jumping subtree containing (T0187)G352 jump= -0.0126411 -0.237628 0.0330481 0.970712 -189.203 -0.035223 -51.5821 # jumping subtree containing (T0187)E328 jump= 0.573835 0.736362 0.351335 0.071051 89.0475 -180.779 -263.477 # jumping subtree containing (T0187)G405 jump= 0.227794 0.658538 0.309465 -0.647046 -194.17 -162.94 -266.919 # jumping subtree containing (T0187)A369 jump= -0.974108 0.0331394 0.195076 0.109366 -73.2851 27.2984 24.6373 # jumping subtree containing (T0187)E312 jump= 0.313551 0.243064 -0.789047 0.469053 -180.543 -180.26 -216.241 # jumping subtree containing (T0187)G405 jump= -0.798212 -0.0781788 0.253316 0.540904 -108.655 -37.1164 -6.46224 # jumping subtree containing (T0187)I363 jump= -0.59119 -0.28639 -0.742323 0.132027 64.3783 -102.935 -291.372 # jumping subtree containing (T0187)L337 jump= -0.780078 -0.511367 -0.279744 0.227431 51.1425 -238.97 -178.236 # jumping subtree containing (T0187)T313 jump= -0.350396 -0.510261 0.666142 -0.416067 -105.415 -209.409 -220.801 # jumping subtree containing (T0187)G405 jump= 0.498896 -0.291101 -0.202311 -0.790844 -14.7897 91.909 -3.71633 # generation 168: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 730 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2336 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.11371 -0.226454 0.26723 -0.929719 -7.40562 -133.529 -25.566 # jumping subtree containing (T0187)L337 jump= 0.711929 0.627704 0.00523728 0.314829 60.9194 -199.733 -97.9043 # jumping subtree containing (T0187)G405 jump= -0.951832 -0.236375 0.193275 0.0280655 -92.4309 -116.295 -12.2094 # jumping subtree containing (T0187)L337 jump= 0.950288 -0.0471676 0.287577 -0.109667 107.523 -4.4464 -85.6868 # jumping subtree containing (T0187)G405 jump= 0.398909 -0.819437 -0.269764 -0.310842 34.477 175.209 -279.788 # jumping subtree containing (T0187)A369 jump= 0.287115 0.726761 -0.502839 0.36951 -10.4977 -206.89 -221.223 # jumping subtree containing (T0187)A369 jump= 0.987007 -0.13674 0.0216756 0.0815456 -0.775726 51.2604 -4.23265 # jumping subtree containing (T0187)E312 jump= -0.0375469 -0.436919 0.881022 -0.17746 -83.5366 -136.397 -376.933 # jumping subtree containing (T0187)L337 jump= -0.0659699 -0.673747 -0.732173 0.0750776 -62.7122 3.86552 -446.339 # jumping subtree containing (T0187)A369 jump= -0.145426 -0.0812248 0.493079 -0.853889 -140.32 -174.328 -105.262 # Removing break before 36 # jumping subtree containing (T0187)G405 jump= -0.64642 -0.210705 -0.485327 0.549729 42.183 -182.298 -164.023 # jumping subtree containing (T0187)L301 jump= 0.527006 -0.47286 -0.267772 0.653427 -250.644 38.2752 -189.859 # jumping subtree containing (T0187)L337 jump= -0.998995 0.0134033 0.0425902 -0.00380197 -2.44896 10.1431 17.4754 # generation 169: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 737 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2353 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.882263 -0.297057 -0.338314 -0.137525 110.56 -69.8659 -103.184 # jumping subtree containing (T0187)L337 jump= -0.987112 0.0620833 -0.0269638 0.145009 18.5963 -22.7993 2.91411 # jumping subtree containing (T0187)L337 jump= 0.642142 0.711636 -0.0738363 -0.275275 -106.15 -262.862 -235.932 # jumping subtree containing (T0187)E312 jump= -0.0245171 -0.515015 0.253672 0.818418 -253.644 -9.99474 -144.777 # jumping subtree containing (T0187)L337 jump= 0.910853 0.348625 -0.21794 -0.0361944 -97.399 -150.795 -25.822 # jumping subtree containing (T0187)L392 jump= 0.814776 -0.308814 -0.209307 -0.443807 -34.8549 117.351 -26.8661 # jumping subtree containing (T0187)L301 jump= 0.943937 -0.278021 -0.127189 -0.124541 -21.5041 96.1309 -19.7911 # jumping subtree containing (T0187)L337 jump= -0.447284 -0.240443 -0.410662 0.757285 -63.3044 -258.053 -177.414 # jumping subtree containing (T0187)A369 jump= -0.850742 0.220733 -0.206373 -0.43003 -25.3675 131.381 -79.2024 # jumping subtree containing (T0187)T404 jump= -0.876892 0.113311 -0.464724 0.047473 153.216 33.7029 -120.895 # jumping subtree containing (T0187)E312 jump= -0.497928 0.865413 -0.00695976 -0.0554971 -44.5276 137.075 -310.215 # generation 170: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 746 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2368 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I400 jump= 0.948057 -0.015006 -0.303362 -0.0945266 -124.197 10.0626 -20.5311 # jumping subtree containing (T0187)T404 jump= -0.8255 -0.383907 -0.395838 -0.120328 150.705 -75.3724 -165.789 # jumping subtree containing (T0187)E338 jump= -3.01368e-05 -0.386205 -0.91541 -0.113446 -96.0902 95.5441 -400.32 # jumping subtree containing (T0187)A359 jump= 0.0587119 -0.286576 -0.851003 -0.436143 -75.7637 176.729 -263.877 # jumping subtree containing (T0187)L337 jump= 0.286657 -0.800521 -0.13653 0.508285 -229.783 56.1793 -338.468 # jumping subtree containing (T0187)G405 jump= 0.330733 -0.245004 0.886532 -0.211306 47.8022 -78.6747 -368.44 # jumping subtree containing (T0187)L301 jump= -0.517619 -0.696691 -0.0222861 -0.496182 112.524 -159.715 -162.976 # jumping subtree containing (T0187)E338 jump= -0.999998 -0.00135661 -0.000103879 0.0013467 17.7967 -3.50773 -10.8727 # jumping subtree containing (T0187)G405 jump= -0.266 -0.0385987 0.959915 0.0794841 -231.525 31.4932 -363.734 # jumping subtree containing (T0187)A369 jump= -0.820208 0.368244 0.413831 -0.142822 -189.125 113.88 -68.401 # jumping subtree containing (T0187)L337 jump= 0.970925 0.160254 -0.175888 0.0262169 -73.6911 -92.2055 18.2885 # jumping subtree containing (T0187)G405 jump= 0.597258 -0.26962 -0.0598062 0.753001 -174.36 87.5506 -49.8084 # jumping subtree containing (T0187)L337 jump= -0.665775 0.303489 -0.471797 0.491982 143.784 -89.7107 -181.977 # generation 171: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 754 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2384 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= 0.893415 -0.0473503 -0.140609 0.424025 -107.929 42.9747 -28.4502 # jumping subtree containing (T0187)A359 jump= 0.718267 -0.402147 0.116443 0.555708 -120.044 173.4 -137.22 # jumping subtree containing (T0187)G405 jump= 0.538437 0.107324 -0.811269 0.201023 -250.717 -79.959 -245.78 # jumping subtree containing (T0187)A359 jump= -0.143263 0.68985 0.348035 -0.618429 -258.695 12.3262 -263.301 # jumping subtree containing (T0187)E328 jump= 0.969798 -0.223992 0.0548366 0.0794513 -2.03711 111.243 -58.7661 # jumping subtree containing (T0187)A359 jump= -0.0796766 -0.403773 -0.780025 0.47136 -185.876 -90.9499 -326.218 # jumping subtree containing (T0187)L337 jump= -0.984835 0.111338 -0.125909 0.043029 74.941 40.7877 -43.1778 # generation 172: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 761 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2401 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.872402 -0.0852926 0.290438 -0.383779 73.5355 -72.5984 -67.6328 # jumping subtree containing (T0187)G405 jump= 0.327854 0.40088 -0.632405 0.576082 -97.8799 -210.005 -197.7 # jumping subtree containing (T0187)A369 jump= -0.737609 -0.100881 0.545123 0.385483 -227.347 -20.055 -80.6106 # jumping subtree containing (T0187)G405 jump= 0.99837 -0.00218195 0.0524738 0.0223308 28.058 -10.4123 -18.9504 # jumping subtree containing (T0187)L337 jump= 0.775911 0.101968 -0.549879 0.291886 -257.776 -87.3217 -88.5362 # jumping subtree containing (T0187)A369 jump= -0.418537 0.084876 0.884909 0.185901 -257.837 70.9664 -229.222 # jumping subtree containing (T0187)L337 jump= 0.194888 0.955948 -0.156039 -0.154384 -91.7228 -131.724 -409.254 # jumping subtree containing (T0187)G405 jump= 0.96018 0.191691 -0.155988 -0.130291 -79.6486 -105.58 -23.3757 # Removing break before 36 # jumping subtree containing (T0187)E328 jump= 0.934988 -0.23998 0.212952 -0.151188 75.6617 31.2714 -68.9818 # jumping subtree containing (T0187)G405 jump= -0.14504 0.353527 -0.675727 -0.630376 -153.567 186.884 -291.609 # generation 173: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 769 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2417 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= 0.228849 0.239072 0.00599318 0.94363 -38.5955 -28.5892 -13.4533 # jumping subtree containing (T0187)E328 jump= -0.45969 -0.517687 0.647265 -0.318956 -149.395 -214.663 -226.617 # jumping subtree containing (T0187)A359 jump= -0.884558 0.0706159 -0.219794 0.405292 70.6143 -85.575 -33.7911 # jumping subtree containing (T0187)L337 jump= 0.695524 0.35306 -0.344725 -0.522264 -230.718 -121.436 -83.0926 # generation 174: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 776 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2434 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E338 jump= -0.984867 -0.0625026 -0.133853 0.0906315 37.2228 -49.848 -40.674 # jumping subtree containing (T0187)G405 jump= -0.952841 0.286576 -0.0953305 -0.0296858 42.4871 121.944 -46.0886 # jumping subtree containing (T0187)I363 jump= -0.321787 -0.874895 -0.261153 0.25062 -75.0121 -127.943 -333.438 # jumping subtree containing (T0187)L337 jump= 0.260143 0.361281 0.578498 -0.683478 -117.14 -224.661 -261.041 # jumping subtree containing (T0187)L337 jump= -0.731884 -0.122018 -0.263745 0.616357 -0.803082 -180.036 -76.021 # jumping subtree containing (T0187)T401 jump= -0.221778 -0.793378 0.540338 0.171465 -182.771 -125.49 -383.087 # generation 175: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 782 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2452 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= 0.809977 -0.286326 -0.48022 0.17704 -188.104 92.7229 -74.9834 # jumping subtree containing (T0187)G352 jump= 0.985102 0.142296 -0.0941024 0.0216781 -27.6776 -69.5122 18.8201 # jumping subtree containing (T0187)L301 jump= 0.716381 -0.570718 -0.239574 0.321999 -168.483 169.967 -203.826 # Removing break before 36 # jumping subtree containing (T0187)L337 jump= 0.62385 -0.506099 0.577832 -0.144168 133.078 3.59302 -302.203 # jumping subtree containing (T0187)L301 jump= 0.19665 -0.325529 -0.131324 -0.915486 11.6924 6.33099 -7.9438 # jumping subtree containing (T0187)G405 jump= 0.573043 -0.784183 0.132278 -0.197942 92.3479 123.349 -281.165 # jumping subtree containing (T0187)A359 jump= -0.496234 -0.733064 -0.371282 -0.280213 121.48 -63.148 -237.906 # jumping subtree containing (T0187)G405 jump= -0.77898 0.282718 -0.179483 -0.530138 -68.9709 161.184 -62.2906 # jumping subtree containing (T0187)G405 jump= 0.156522 0.0740305 -0.808648 0.562236 -163.845 -212.657 -268.899 # jumping subtree containing (T0187)E312 jump= -0.22751 -0.0672749 0.599251 -0.764599 -147.64 -217.441 -122.932 # jumping subtree containing (T0187)E328 jump= -0.998774 0.0376862 -0.0297715 -0.0119944 -7.64079 -4.94116 -2.37921 # Removing break before 36 # generation 176: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 786 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2472 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= 0.207735 0.305316 0.226037 -0.901407 -182.504 -187.932 -112.198 # jumping subtree containing (T0187)L337 jump= -0.880641 0.358329 -0.25772 0.172198 108.09 54.1469 -150.672 # jumping subtree containing (T0187)L337 jump= 0.999998 -0.001035 -0.000975022 -0.00168574 6.7623 8.24925 4.59047 # jumping subtree containing (T0187)A359 jump= -0.943444 0.0430772 -0.325627 0.0449857 90.0148 9.12288 -62.3112 # jumping subtree containing (T0187)E312 jump= 0.22138 -0.619289 0.401535 0.637371 -231.905 93.9564 -255.289 # jumping subtree containing (T0187)T313 jump= 0.918596 -0.390808 0.0127252 0.0573453 -18.7117 131.502 -101.831 # jumping subtree containing (T0187)L301 jump= -0.878132 -0.19297 -0.383562 -0.211015 131.168 -17.1741 -119.907 # jumping subtree containing (T0187)T313 jump= 0.637104 -0.49802 -0.481324 0.338234 -220.186 92.66 -164.992 # jumping subtree containing (T0187)G405 jump= 0.436034 0.779698 -0.448921 0.0203786 -99.4838 -184.578 -327.022 # jumping subtree containing (T0187)L337 jump= -0.547788 0.507817 0.493815 0.445194 -50.5476 206.18 -132.189 # jumping subtree containing (T0187)E338 jump= -0.91828 0.00260255 -0.132692 0.373025 34.9754 -56.453 -14.2726 # generation 177: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 788 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2494 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= -0.397535 0.734479 -0.430463 -0.342356 -101.521 128.302 -371.521 # jumping subtree containing (T0187)G405 jump= 0.148867 -0.29905 0.718983 0.609485 -160.625 191.845 -270.875 # jumping subtree containing (T0187)E338 jump= 0.816285 0.281397 -0.468795 -0.186345 -203.948 -112.226 -59.7634 # jumping subtree containing (T0187)G405 jump= -0.938954 0.212366 0.131367 -0.236661 -89.3774 85.7481 -1.68096 # jumping subtree containing (T0187)T368 jump= 0.859399 -0.377299 0.315097 -0.140683 80.4413 72.4411 -138.421 # jumping subtree containing (T0187)L337 jump= -0.499682 0.332609 0.376154 -0.705831 -302.61 -5.62312 -114.342 # jumping subtree containing (T0187)L337 jump= 0.171528 -0.93004 -0.27634 0.170999 -98.3209 50.8976 -443.547 # jumping subtree containing (T0187)G352 jump= -0.249272 -0.906021 -0.248518 -0.235007 83.6389 -28.8585 -311.769 # jumping subtree containing (T0187)T404 jump= 0.687542 -0.114208 -0.71558 0.046773 -241.465 30.7655 -188.032 # jumping subtree containing (T0187)A369 jump= -0.995185 -0.00746273 -0.0916323 0.033968 27.1927 -29.1939 -23.7813 # generation 178: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 794 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2512 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.706709 -0.464991 -0.533229 0.00352726 -190.139 147.036 -159.945 # jumping subtree containing (T0187)I363 jump= 0.906072 -0.0446937 -0.408213 -0.101969 -140.647 -2.13603 -16.0628 # jumping subtree containing (T0187)T313 jump= 0.322408 -0.0345753 -0.231264 0.917265 -168.542 -73.291 -32.6688 # jumping subtree containing (T0187)A359 jump= 0.488024 0.47241 -0.725128 0.113361 -185.544 -182.714 -226.629 # jumping subtree containing (T0187)E312 jump= -0.911427 -0.0142895 0.111393 0.395839 -46.3558 -40.854 23.8822 # jumping subtree containing (T0187)L337 jump= 0.847505 -0.442262 -0.285988 -0.0659577 -117.466 173.605 -104.959 # jumping subtree containing (T0187)A369 jump= -0.195186 -0.0767153 0.0106696 -0.977703 -82.5915 -6.66555 9.28952 # jumping subtree containing (T0187)I363 jump= -0.00374691 0.889463 0.452921 0.0608592 11.0836 30.4029 -353.058 # jumping subtree containing (T0187)L301 jump= 0.619808 0.271832 0.107022 -0.728349 -76.1962 -182.983 -39.27 # jumping subtree containing (T0187)T404 jump= 0.993006 -0.110441 0.00840862 -0.0408923 21.4629 54.4341 -5.87013 # generation 179: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 801 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2529 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= -0.0814624 0.0674149 0.243421 0.96414 -119.349 77.6333 -21.7328 # jumping subtree containing (T0187)I363 jump= 0.687324 -0.333881 -0.367125 0.530404 -213.961 88.3623 -90.4668 # jumping subtree containing (T0187)L337 jump= 0.997925 0.0556613 -0.00728022 -0.0315363 -6.48316 -28.154 25.1733 # jumping subtree containing (T0187)L337 jump= 0.941379 -0.0297916 -0.0950161 0.322321 -60.9051 30.5479 -19.1054 # jumping subtree containing (T0187)L337 jump= -0.200742 -0.724963 0.298347 0.587469 -276.042 -86.2636 -306.382 # jumping subtree containing (T0187)G405 jump= 0.856198 -0.435379 -0.12808 0.246913 -84.7434 165.292 -113.236 # jumping subtree containing (T0187)A369 jump= -0.593922 -0.572445 -0.328884 0.459782 -49.0727 -236.623 -211.45 # jumping subtree containing (T0187)L337 jump= 0.359408 0.88125 -0.285028 0.113945 -52.5073 -240.994 -326.584 # generation 180: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 809 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2545 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= 0.464878 -0.6268 0.601734 -0.170079 97.1347 12.8259 -362.641 # jumping subtree containing (T0187)T313 jump= 0.995969 0.0491783 -0.0733503 -0.0157177 -0.788363 -11.8366 13.2468 # jumping subtree containing (T0187)L337 jump= 0.945527 -0.224981 0.145127 -0.185204 66.5978 36.3447 -80.1272 # jumping subtree containing (T0187)L337 jump= -0.391085 -0.574252 -0.601793 -0.393868 134.272 73.5163 -274.155 # jumping subtree containing (T0187)G405 jump= -0.882135 -0.273034 0.353359 0.149758 -165.864 -99.2786 -75.0223 # jumping subtree containing (T0187)A369 jump= 0.226856 0.490059 0.18078 -0.822008 -204.227 -157.162 -171.293 # Removing break before 36 # jumping subtree containing (T0187)G405 jump= 0.802979 0.20872 0.219136 -0.513459 24.4941 -148.39 -75.7156 # jumping subtree containing (T0187)E312 jump= -0.0290333 0.373135 -0.0620056 0.925247 3.10524 -79.7518 -15.7326 # jumping subtree containing (T0187)G405 jump= 0.879575 -0.36054 -0.163383 -0.263941 5.11165 124.347 -50.7925 # jumping subtree containing (T0187)L337 jump= -0.999033 0.0361986 0.0238249 -0.00738628 10.6667 26.5999 -13.1952 # jumping subtree containing (T0187)I400 jump= 0.530655 -0.434637 0.669612 -0.284808 155.165 -39.7321 -295.034 # jumping subtree containing (T0187)G352 jump= -0.2438 -0.904187 -0.350548 0.0111223 32.553 -47.9488 -345.619 # generation 181: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 819 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2559 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= -0.999034 -0.0302077 0.0309322 -0.0077997 -8.51814 -36.8064 18.0602 # jumping subtree containing (T0187)A369 jump= 0.970516 0.231044 0.0677812 -0.0111175 51.3055 -90.8678 -19.6089 # jumping subtree containing (T0187)L337 jump= -0.968136 0.114217 -0.085155 0.205953 50.9021 -12.2202 -46.3615 # jumping subtree containing (T0187)A359 jump= -0.469806 0.543225 0.626978 -0.301807 -240.735 62.6782 -250.926 # jumping subtree containing (T0187)L337 jump= -0.991131 0.0524069 0.048133 0.112233 11.7217 2.5821 5.66771 # jumping subtree containing (T0187)L337 jump= -0.84563 0.158734 0.504054 0.0751146 -200.114 54.8319 -45.3148 # jumping subtree containing (T0187)V417 jump= -0.977091 0.01355 0.151326 -0.149029 -69.9221 4.98655 -4.26712 # jumping subtree containing (T0187)G352 jump= 0.632953 0.00264945 -0.175414 0.754051 -122.909 -11.3936 10.1211 # jumping subtree containing (T0187)G405 jump= 0.885431 0.107075 -0.228268 -0.390438 -116.153 -41.5664 21.0352 # jumping subtree containing (T0187)L337 jump= 0.203494 -0.00561926 -0.938525 -0.278798 -227.416 93.6759 -313.066 # generation 182: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 827 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2575 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I400 jump= 0.994485 -0.0961934 0.0163107 -0.038475 23.9869 50.4566 0.370979 # jumping subtree containing (T0187)T313 jump= 0.747542 0.438056 -0.470184 -0.167974 -196.995 -149.142 -122.266 # jumping subtree containing (T0187)L337 jump= -0.4394 0.858829 0.261456 -0.0313367 -50.2942 149.352 -358.891 # jumping subtree containing (T0187)A359 jump= 0.485469 0.653887 0.509556 -0.277678 -41.2361 -128.351 -315.876 # jumping subtree containing (T0187)A359 jump= 0.480953 -0.289429 -0.722107 0.404322 -276.692 -8.26574 -199.815 # jumping subtree containing (T0187)E338 jump= -0.973157 0.207447 0.0981545 -0.0172447 -25.8431 87.9072 -39.9764 # jumping subtree containing (T0187)L337 jump= 0.277943 -0.156213 -0.155119 0.935031 -239.109 -62.6064 -50.6407 # jumping subtree containing (T0187)A369 jump= -0.474504 -0.833881 0.150763 -0.238242 28.9261 -192.502 -216.293 # generation 183: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 833 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2593 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.70184 -0.48123 0.133108 -0.508055 18.0545 -147.384 -61.0985 # jumping subtree containing (T0187)G405 jump= 0.631794 0.210688 -0.696038 -0.268289 -242.265 -27.4747 -179.488 # jumping subtree containing (T0187)L301 jump= 0.359834 -0.159717 -0.0873497 0.915085 -204.519 -18.4976 -19.5459 # jumping subtree containing (T0187)G405 jump= -0.494082 0.86314 0.0505597 0.0911957 25.0565 159.935 -319.819 # generation 184: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 843 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2607 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.995953 -0.0330185 0.0829281 0.010507 10.4732 34.0989 -7.62042 # jumping subtree containing (T0187)A359 jump= 0.524209 0.552905 -0.586951 -0.273843 -237.224 -95.2382 -196.405 # jumping subtree containing (T0187)I400 jump= 0.948278 -0.0619225 -0.0131864 0.311064 -28.2005 53.339 18.5774 # jumping subtree containing (T0187)I363 jump= -0.442967 0.160589 0.877015 -0.0939979 -265.461 28.5637 -260.403 # jumping subtree containing (T0187)A369 jump= -0.970346 0.228709 -0.0295183 0.0724512 -5.5607 66.6369 -19.5306 # jumping subtree containing (T0187)G405 jump= 0.163693 0.719945 0.408377 -0.536761 -167.538 -116.191 -346.16 # jumping subtree containing (T0187)A369 jump= -0.511574 0.219548 -0.666434 0.495941 77.1868 -161.923 -250.981 # jumping subtree containing (T0187)T313 jump= 0.852304 -0.238997 -0.135648 0.445038 -116.294 101.186 -58.4268 # jumping subtree containing (T0187)L337 jump= -0.875028 0.472703 -0.0664431 -0.0804012 2.98862 192.107 -122.373 # jumping subtree containing (T0187)E312 jump= 0.335189 0.386861 -0.609214 0.605677 -84.9622 -235.138 -177.562 # jumping subtree containing (T0187)I363 jump= -0.434178 0.446417 0.424957 0.656972 -19.7364 154.566 -81.8028 # jumping subtree containing (T0187)G405 jump= -0.721103 -0.359162 0.328804 0.49285 -223.679 -113.245 -80.8039 # generation 185: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 853 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2621 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.76278 0.291576 0.178934 -0.548755 -15.0239 -183.953 -81.5242 # jumping subtree containing (T0187)E338 jump= 0.999033 0.0148993 0.0351064 0.021877 -1.38975 -26.2369 -6.93344 # jumping subtree containing (T0187)A369 jump= -0.906468 -0.285774 0.0683247 0.303285 -74.6023 -146.225 -15.471 # jumping subtree containing (T0187)G405 jump= -0.997201 0.0320595 -0.0022561 -0.0675087 2.13517 5.86815 -2.07934 # jumping subtree containing (T0187)E312 jump= 0.309072 0.628472 -0.176523 0.69162 76.176 -165.525 -77.3201 # jumping subtree containing (T0187)G405 jump= 0.412817 0.650468 0.359197 -0.526737 -101.502 -229.206 -290.103 # generation 186: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 861 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2637 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T401 jump= 0.932557 0.26514 0.172116 -0.174397 37.0151 -109.41 -59.9767 # jumping subtree containing (T0187)E328 jump= -0.787277 -0.187617 0.400965 0.429211 -201.128 -62.5679 -42.9387 # jumping subtree containing (T0187)L337 jump= -0.67006 0.740394 -0.0306447 0.0435525 11.3308 163.353 -270.029 # jumping subtree containing (T0187)L301 jump= 0.25013 0.524979 -0.75373 0.306143 -130.564 -191.365 -302.695 # jumping subtree containing (T0187)A369 jump= 0.0840328 0.291197 -0.310096 0.901101 -45.5729 -169.284 -32.226 # jumping subtree containing (T0187)L337 jump= 0.0709573 0.966752 0.224776 -0.0991488 -28.8771 -34.9343 -417.015 # jumping subtree containing (T0187)A359 jump= 0.969495 -0.100892 0.194169 0.110448 48.8106 47.5853 -22.2517 # jumping subtree containing (T0187)L337 jump= -0.75418 0.345021 0.556544 -0.0493186 -227.5 121.251 -138.212 # jumping subtree containing (T0187)A369 jump= -0.119045 -0.228405 0.644197 0.720187 -229.743 109.139 -160.959 # generation 187: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 867 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2655 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.578663 -0.501241 0.642984 -0.0218707 69.6284 41.2691 -315.056 # jumping subtree containing (T0187)L337 jump= 0.658638 -0.500762 -0.33847 0.448188 -233.946 134.867 -176.576 # jumping subtree containing (T0187)T313 jump= -0.0832946 0.831162 0.171485 -0.522326 -185.946 -29.2043 -318.782 # jumping subtree containing (T0187)L337 jump= 0.965663 -0.247841 0.0756043 0.0188233 30.7308 74.176 -67.0214 # jumping subtree containing (T0187)G405 jump= -0.975853 -0.140728 -0.127588 -0.107833 32.5254 -48.0662 -17.1025 # jumping subtree containing (T0187)G405 jump= -0.590543 -0.408993 -0.153786 0.678479 -122.663 -181.534 -94.9212 # jumping subtree containing (T0187)G405 jump= 0.326902 -0.845462 -0.400962 0.132508 -106.064 91.5019 -359.744 # jumping subtree containing (T0187)G405 jump= 0.325297 -0.32233 0.888943 0.00813321 47.2997 25.8511 -403.357 # Removing break before 36 # jumping subtree containing (T0187)L337 jump= 0.991157 0.0193503 -0.0868018 0.0984852 -61.0253 -19.7374 6.05523 # generation 188: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 875 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2671 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H316 jump= 0.916653 0.277225 0.195205 0.211631 96.4881 -45.2718 -32.9009 # jumping subtree containing (T0187)E312 jump= 0.940798 0.312879 0.0982105 0.0857985 26.6204 -120.03 -37.429 # jumping subtree containing (T0187)G405 jump= 0.999996 0.000605491 0.00181446 0.00203142 -6.09478 -18.5276 -8.7559 # jumping subtree containing (T0187)E312 jump= -0.106941 0.761775 0.629671 0.108522 -15.755 85.4071 -344.267 # jumping subtree containing (T0187)L337 jump= 0.940661 -0.123038 0.166858 0.268658 16.9477 114.861 -29.2095 # jumping subtree containing (T0187)T401 jump= -0.442964 0.0710924 0.160654 0.879158 -87.3363 -14.5433 6.35914 # jumping subtree containing (T0187)L337 jump= -0.954851 0.0919774 0.264738 -0.0985606 -133.798 35.2559 -11.9042 # jumping subtree containing (T0187)L337 jump= 0.114475 -0.517496 0.420402 -0.736448 75.6455 -172.391 -144.117 # jumping subtree containing (T0187)L337 jump= 0.906001 -0.401071 0.0359404 0.130434 -16.2438 152.536 -116.567 # jumping subtree containing (T0187)A369 jump= -0.99966 0.011131 -0.0171828 -0.0161359 -18.8184 -7.25379 -11.5982 # jumping subtree containing (T0187)A369 jump= 0.794388 -0.578534 0.1654 -0.0829987 84.2551 123.994 -173.123 # jumping subtree containing (T0187)L337 jump= 0.761844 0.115576 -0.137952 -0.622259 -123.994 -111.42 -16.753 # jumping subtree containing (T0187)A369 jump= -0.902342 -0.0921137 0.278363 0.315924 -133.029 -51.1063 22.145 # generation 189: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 886 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2684 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.40928 0.42198 -0.213539 0.780271 30.3884 -157.853 -39.7648 # jumping subtree containing (T0187)I363 jump= -0.89496 -0.137387 -0.188336 0.380397 14.2075 -102.159 -48.7651 # jumping subtree containing (T0187)I363 jump= 0.830962 0.15005 -0.465399 -0.265312 -207.237 -66.1701 -27.9347 # jumping subtree containing (T0187)I363 jump= 0.963424 -0.0331109 -0.169035 -0.205294 -60.9277 15.4884 22.1517 # jumping subtree containing (T0187)E312 jump= -0.771095 0.632351 -0.0458636 0.0586617 13.7281 146.602 -175.613 # jumping subtree containing (T0187)T313 jump= -0.0919999 -0.719908 0.520583 0.449734 -231.43 -46.608 -327.038 # jumping subtree containing (T0187)L337 jump= 0.707151 0.322689 -0.0312356 0.628358 -28.0073 -75.689 -6.03459 # jumping subtree containing (T0187)E328 jump= -0.284091 0.0562056 -0.956304 0.0402118 8.55309 -1.68757 -400.278 # jumping subtree containing (T0187)A369 jump= 0.900427 0.115218 0.38878 0.157499 136.663 -9.78802 -92.8769 # generation 190: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 899 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2695 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A359 jump= 0.906221 -0.0134146 -0.352646 -0.232861 -139.775 10.2658 -5.29766 # jumping subtree containing (T0187)I400 jump= -0.0746782 0.134428 0.40284 0.90226 -93.9726 140.004 -57.7892 # jumping subtree containing (T0187)A369 jump= -0.345032 0.588104 0.455481 0.572384 14.9152 178.75 -145.087 # generation 191: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 907 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2711 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.966552 0.180809 0.04673 -0.175791 -6.64374 -81.6568 -36.8504 # jumping subtree containing (T0187)I400 jump= -0.991509 -0.0995302 -0.0403494 0.0733129 17.5073 -59.0974 0.0661325 # jumping subtree containing (T0187)G405 jump= 0.240919 -0.383707 0.628396 0.632334 -120.838 198.37 -256.955 # generation 192: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 914 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2728 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= -0.198054 0.267383 0.868504 0.367399 -147.4 180.55 -277.936 # jumping subtree containing (T0187)E328 jump= -0.0527015 0.745581 0.280498 -0.602206 -252.912 -59.535 -311.602 # jumping subtree containing (T0187)G405 jump= -0.376884 0.0647385 -0.675367 -0.630593 -32.6767 189.838 -214.288 # jumping subtree containing (T0187)L337 jump= 0.387222 -0.704816 -0.180699 0.566252 -266.702 77.7089 -277.046 # jumping subtree containing (T0187)L337 jump= -0.985878 0.0711413 0.126473 -0.0835953 -70.8676 56.993 16.3174 # jumping subtree containing (T0187)G405 jump= 0.148133 0.821215 0.371562 -0.406946 -147.859 -126.777 -399.864 # jumping subtree containing (T0187)I413 jump= 0.442679 -0.82497 0.2375 0.258946 -45.7142 135.27 -358.92 # jumping subtree containing (T0187)I363 jump= 0.23572 -0.734012 -0.228397 -0.594557 91.1881 109.466 -153.594 # generation 193: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 920 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2746 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A359 jump= 0.660961 0.437892 0.299042 0.530995 89.4566 -0.110521 -92.8146 # jumping subtree containing (T0187)A369 jump= -0.726491 0.586069 0.0407598 -0.356472 -123.525 167.091 -160.002 # jumping subtree containing (T0187)A369 jump= -0.901851 0.171242 -0.0375249 0.394883 9.83756 3.13391 -7.17556 # jumping subtree containing (T0187)T313 jump= 0.154511 0.153509 0.774208 0.594276 -36.328 172.162 -226.087 # jumping subtree containing (T0187)L337 jump= -0.753545 0.283858 -0.0565083 0.590255 48.1454 -8.35217 -26.4657 # jumping subtree containing (T0187)E312 jump= 0.0558977 -0.601784 -0.72399 0.33252 -150.597 -43.3568 -362.332 # generation 194: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 927 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2763 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= 0.40274 -0.0543101 0.755942 -0.513228 30.0876 -186.838 -321.834 # jumping subtree containing (T0187)G352 jump= 0.999296 0.0328835 -0.0180257 0.00112758 3.933 -1.83269 6.52924 # jumping subtree containing (T0187)G405 jump= 0.782132 -0.237727 -0.491606 0.300132 -214.475 69.2071 -82.6683 # jumping subtree containing (T0187)L337 jump= 0.301931 -0.0133227 -0.950354 0.0740768 -271.539 -27.6543 -342.809 # generation 195: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 936 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2778 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A359 jump= 0.640492 -0.12516 0.546633 -0.524688 65.6555 -128.298 -149.112 # jumping subtree containing (T0187)L337 jump= 0.356938 0.309769 -0.806548 0.355133 -200.587 -194.514 -250.203 # jumping subtree containing (T0187)L337 jump= -0.618309 -0.0944927 -0.0323937 -0.779562 -51.7806 23.0385 -7.62943 # jumping subtree containing (T0187)L301 jump= -0.926719 0.17992 0.118988 -0.307673 -89.8911 70.0087 -42.6162 # jumping subtree containing (T0187)L337 jump= 0.408274 0.122803 0.374994 0.823171 -46.1187 122.297 -73.1011 # jumping subtree containing (T0187)G405 jump= 0.846352 0.272899 0.428424 -0.16021 126.563 -141.27 -133.68 # jumping subtree containing (T0187)G352 jump= 0.993359 -0.0101489 -0.10156 -0.0531123 -32.081 -0.234264 32.568 # jumping subtree containing (T0187)I400 jump= 0.43471 -0.60335 0.647604 0.166149 20.1072 101.301 -402.871 # jumping subtree containing (T0187)K394 jump= 0.972061 -0.125412 -0.138571 -0.14201 -49.6559 49.3659 -3.55155 # jumping subtree containing (T0187)G405 jump= -0.823646 0.156894 -0.119008 0.531817 53.6009 -25.4525 -6.26518 # jumping subtree containing (T0187)G352 jump= -0.0234158 0.349675 0.208164 0.913152 10.9782 31.8203 -30.4022 # generation 196: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 941 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2797 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= 0.534277 -0.1981 0.817077 -0.0876899 78.1733 -17.6567 -361.748 # jumping subtree containing (T0187)A369 jump= 0.433688 0.719206 0.534639 -0.0939016 54.1443 -116.644 -322.708 # jumping subtree containing (T0187)A359 jump= 0.806871 -0.332774 0.0410841 0.486347 -91.1956 148.797 -74.6058 # jumping subtree containing (T0187)E328 jump= -0.313732 -0.18041 -0.613012 0.702311 -76.0252 -235.911 -242.729 # jumping subtree containing (T0187)L337 jump= -0.511661 -0.817855 -0.127176 0.230527 -54.8356 -249.384 -321.464 # jumping subtree containing (T0187)A359 jump= 0.711058 -0.700739 0.00599667 0.0576637 -17.7335 179.482 -187.363 # jumping subtree containing (T0187)G405 jump= 0.599516 -0.689669 -0.0328873 -0.404791 88.1592 138.604 -193.859 # jumping subtree containing (T0187)L337 jump= -0.952795 -0.0548518 -0.0476515 0.294792 6.12157 -48.4128 -18.1793 # generation 197: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 949 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2813 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= -0.899216 -0.282563 0.272949 0.192529 -143.788 -147.412 -43.0313 # jumping subtree containing (T0187)A359 jump= 0.865428 -0.35306 -0.334704 -0.119821 -96.2027 113.261 -29.1689 # jumping subtree containing (T0187)L337 jump= 0.126365 0.390608 -0.795106 -0.446389 -256.434 83.0171 -335.182 # jumping subtree containing (T0187)G352 jump= -0.023037 -0.946703 -0.316843 -0.0532272 17.3869 35.5585 -376.668 # jumping subtree containing (T0187)E338 jump= 0.293348 0.0698989 -0.830616 0.468123 -240.715 -192.492 -273.606 # jumping subtree containing (T0187)L337 jump= -0.790449 0.569421 -0.207206 -0.0895332 31.1276 196.158 -214.768 # jumping subtree containing (T0187)S395 jump= 0.994501 0.0392195 0.0963643 0.0120153 49.8575 -24.0849 -22.6131 # jumping subtree containing (T0187)A369 jump= 0.120187 -0.320406 0.937763 0.0591314 -80.9107 -28.3184 -410.243 # jumping subtree containing (T0187)G352 jump= -0.801355 0.552302 0.00155998 -0.229761 -66.7535 168.053 -118.764 # jumping subtree containing (T0187)I400 jump= 0.699598 0.342633 -0.339527 0.527149 -95.4887 -152.708 -52.6201 # jumping subtree containing (T0187)G405 jump= -0.564851 -0.366297 0.580182 0.45843 -287.913 -50.2942 -161.984 # jumping subtree containing (T0187)L337 jump= 0.999924 -0.00674905 -0.00341788 -0.00976447 -6.08272 3.50195 -24.5557 # jumping subtree containing (T0187)L301 jump= -0.563678 0.120354 -0.122289 -0.807978 -141.769 84.7663 -28.524 # generation 198: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 955 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2831 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.832085 -0.513045 -0.0728444 0.197771 -7.32982 -190.577 -132.311 # jumping subtree containing (T0187)T313 jump= 0.561097 0.331522 0.0641642 -0.755742 -106.924 -176.008 -82.6016 # jumping subtree containing (T0187)I400 jump= 0.666663 0.324861 -0.624422 0.245201 -200.689 -149.657 -132.523 # jumping subtree containing (T0187)G405 jump= 0.666218 -0.212845 -0.626476 0.344062 -286.512 3.35639 -159.028 # jumping subtree containing (T0187)L337 jump= 0.273133 0.358981 0.378817 0.808102 35.5204 91.4301 -50.3322 # jumping subtree containing (T0187)L337 jump= 0.627067 0.0393277 0.7174 0.300961 106.537 84.7455 -275.138 # jumping subtree containing (T0187)A369 jump= -0.268707 0.73297 -0.480001 0.400189 105.26 -98.2782 -274.729 # generation 199: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 967 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2843 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.999193 -0.0319167 -0.0101039 -0.0222028 -15.0734 4.52206 9.51685 # jumping subtree containing (T0187)L337 jump= -0.563777 -0.187403 0.639756 0.487593 -281.049 8.39255 -136.433 # jumping subtree containing (T0187)L337 jump= 0.455597 -0.596289 -0.63322 0.189479 -204.146 103.999 -298.699 # jumping subtree containing (T0187)I400 jump= -0.988277 0.000279213 0.0090191 -0.152406 7.80089 35.3771 2.89294 # jumping subtree containing (T0187)E328 jump= -0.6554 0.0854989 -0.74599 0.0814891 118.384 7.48769 -310.962 # jumping subtree containing (T0187)L337 jump= -0.963913 -0.0530871 -0.0260184 0.259571 14.9744 -60.6332 3.20368 # jumping subtree containing (T0187)E338 jump= 0.726747 0.373758 0.383903 -0.42984 33.6781 -255.286 -182.543 # jumping subtree containing (T0187)I400 jump= 0.999911 0.00717643 -0.0112386 -0.00097579 -22.4334 -14.622 19.133 # jumping subtree containing (T0187)L337 jump= -0.999794 0.00746251 0.00849657 0.016825 -27.0973 -10.694 0.251478 # jumping subtree containing (T0187)G405 jump= -0.377921 -0.0580773 -0.853287 -0.354548 74.4096 123.636 -331.637 # jumping subtree containing (T0187)G405 jump= 0.210581 -0.929472 -0.157345 0.258807 -122.712 72.4661 -402.276 # generation 200: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4172 cost/residue, 219 clashes 0.0480213 breaks # Cumulative usage by method: ## InsertAlignment 8 ## InsertSpecificFragment 62 ## InsertFragment 59 ## TwoFragment 10 ## CrossOver 974 ## CrossAndInsert 46 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 0 ## CloseGap 168 ## JiggleSubtree 1126 ## OptSubtree 2860 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_243589387.pdb -s /projects/compbio/tmp/to_scwrl_243589387.seq -o /projects/compbio/tmp/from_scwrl_243589387.pdb -a /projects/compbio/tmp/from_scwrl_243589387_a.pdb -b /projects/compbio/tmp/from_scwrl_243589387_b.pdb > /projects/compbio/tmp/scwrl_243589387.log # T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB-scwrl 73.4703 cost/residue 122 clashes 0.0480212 breaks # iteration 1 # filling pool to have 40 conformations # best score in initial pool out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1jeqB at pool[11] 84.498 cost/residue, 210 clashes # optimizing backbone with 40 conformations in pool # doing 200 generations, with 180 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0187.try1-al10 84.3783 cost/residue, 201 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 5 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 3 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0187.try1-al4+T0187-1jeqB-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz:1jeqB 84.3153 cost/residue, 274 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 10 ## TwoFragment 6 ## CrossOver 3 ## CrossAndInsert 6 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0187.try1-al10 82.4531 cost/residue, 247 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 22 ## InsertFragment 13 ## TwoFragment 7 ## CrossOver 3 ## CrossAndInsert 11 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0187.try1-al10 81.9375 cost/residue, 232 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 24 ## InsertFragment 17 ## TwoFragment 7 ## CrossOver 6 ## CrossAndInsert 13 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0187.try1-al10 80.5024 cost/residue, 341 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 20 ## TwoFragment 8 ## CrossOver 10 ## CrossAndInsert 18 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 6 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0187.try1-al10 80.5024 cost/residue, 341 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 36 ## InsertFragment 22 ## TwoFragment 10 ## CrossOver 11 ## CrossAndInsert 21 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 10 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0187.try1-al10 79.1225 cost/residue, 340 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 40 ## InsertFragment 24 ## TwoFragment 11 ## CrossOver 14 ## CrossAndInsert 25 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 12 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0187.try1-al10 79.1225 cost/residue, 340 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 46 ## InsertFragment 27 ## TwoFragment 12 ## CrossOver 19 ## CrossAndInsert 28 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 12 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 16 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0187.try1-al10 78.2906 cost/residue, 359 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 47 ## InsertFragment 29 ## TwoFragment 12 ## CrossOver 24 ## CrossAndInsert 29 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 28 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 14 # generation 10: best score out of 40: T0187.try1-al10 78.2906 cost/residue, 359 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 48 ## InsertFragment 29 ## TwoFragment 12 ## CrossOver 26 ## CrossAndInsert 30 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 45 ## OptSubtree 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 62 # jumping subtree containing (T0187)L301 jump= 0.904427 -0.0336283 -0.404451 -0.131533 8.49773 -4.55954 4.52329 # generation 11: best score out of 40: T0187.try1-al10 78.0473 cost/residue, 425 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 49 ## InsertFragment 33 ## TwoFragment 12 ## CrossOver 29 ## CrossAndInsert 32 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 53 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 14 # generation 12: best score out of 40: T0187.try1-al10 77.69 cost/residue, 295 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 53 ## InsertFragment 34 ## TwoFragment 12 ## CrossOver 33 ## CrossAndInsert 32 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 65 ## OptSubtree 24 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # jumping subtree containing (T0187)G396 jump= 0.67436 -0.551615 0.490835 -0.00634609 -15.603 22.1987 8.00887 # Removing break before 35 # generation 13: best score out of 40: T0187.try1-al10 77.4371 cost/residue, 295 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 54 ## InsertFragment 36 ## TwoFragment 12 ## CrossOver 36 ## CrossAndInsert 34 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 79 ## OptSubtree 27 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # jumping subtree containing (T0187)L301 jump= 0.229188 -0.113571 -0.958159 -0.128475 22.7595 -10.5954 -0.941206 # generation 14: best score out of 40: T0187.try1-al10 77.292 cost/residue, 374 clashes # Cumulative usage by method: ## InsertAlignment 4 ## InsertSpecificFragment 54 ## InsertFragment 38 ## TwoFragment 12 ## CrossOver 39 ## CrossAndInsert 35 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 100 ## OptSubtree 30 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0187.try1-al10 77.0605 cost/residue, 319 clashes # Cumulative usage by method: ## InsertAlignment 4 ## InsertSpecificFragment 55 ## InsertFragment 39 ## TwoFragment 12 ## CrossOver 42 ## CrossAndInsert 35 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 121 ## OptSubtree 34 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L411 jump= 0.00810076 0.0371196 -0.097749 0.994486 -12.1438 -4.96184 0.796906 # jumping subtree containing (T0187)L301 jump= 0.958057 -0.217073 -0.142315 -0.121456 16.153 7.2773 3.69538 # generation 16: best score out of 40: T0187.try1-al10 77.0605 cost/residue, 319 clashes # Cumulative usage by method: ## InsertAlignment 5 ## InsertSpecificFragment 55 ## InsertFragment 39 ## TwoFragment 12 ## CrossOver 46 ## CrossAndInsert 36 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 137 ## OptSubtree 42 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K318 jump= -0.939892 0.147995 -0.109486 0.2876 -5.98748 1.62302 -9.16568 # jumping subtree containing (T0187)L301 jump= 0.520309 0.630763 -0.0679652 0.571662 -5.69775 -40.207 -2.8932 # generation 17: best score out of 40: T0187.try1-al10 77.0605 cost/residue, 319 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 5 ## InsertSpecificFragment 55 ## InsertFragment 39 ## TwoFragment 12 ## CrossOver 48 ## CrossAndInsert 38 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 160 ## OptSubtree 45 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 11 # jumping subtree containing (T0187)L301 jump= -0.999656 -0.0240889 0.00733091 0.00731151 -24.876 0.188189 -0.107455 # generation 18: best score out of 40: T0187.try1-al10 76.9653 cost/residue, 324 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 5 ## InsertSpecificFragment 55 ## InsertFragment 40 ## TwoFragment 12 ## CrossOver 48 ## CrossAndInsert 38 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 177 ## OptSubtree 49 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing (T0187)G311 jump= -0.98826 0.0371905 0.125378 -0.078987 -11.7089 -2.22472 2.30723 # Removing break before 101 # generation 19: best score out of 40: T0187.try1-al10 76.9617 cost/residue, 319 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 5 ## InsertSpecificFragment 55 ## InsertFragment 42 ## TwoFragment 12 ## CrossOver 49 ## CrossAndInsert 38 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 194 ## OptSubtree 57 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 9 # Removing break before 79 # Removing break before 9 # generation 20: best score out of 40: T0187.try1-al10 76.9238 cost/residue, 324 clashes 0.0105521 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 57 ## InsertFragment 42 ## TwoFragment 12 ## CrossOver 52 ## CrossAndInsert 38 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 210 ## OptSubtree 65 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 11 # jumping subtree containing (T0187)E312 jump= 0.949127 -0.231271 -0.15277 -0.149445 31.7074 -41.0252 -16.6931 # jumping subtree containing (T0187)E312 jump= 0.403003 0.531882 0.735767 0.115485 -38.6758 -14.0344 91.4874 # Removing break before 79 # Removing break before 79 # generation 21: best score out of 40: T0187.try1-al10 76.7575 cost/residue, 328 clashes 0.0147291 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 57 ## InsertFragment 42 ## TwoFragment 12 ## CrossOver 53 ## CrossAndInsert 38 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 230 ## OptSubtree 72 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A360 jump= 0.746527 -0.647016 0.154988 0.00690674 -1.35074 49.7518 -57.6983 # Removing break before 79 # Removing break before 79 # jumping subtree containing (T0187)A360 jump= 0.924492 0.0597158 0.0312076 0.375199 33.9658 14.7227 0.943439 # generation 22: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 76.6514 cost/residue, 305 clashes 0.0169215 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 58 ## InsertFragment 42 ## TwoFragment 12 ## CrossOver 54 ## CrossAndInsert 38 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 251 ## OptSubtree 80 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A360 jump= -0.73813 0.319531 -0.356847 -0.475105 52.8889 7.83383 31.068 # jumping subtree containing (T0187)L301 jump= -0.504522 0.414615 0.501381 0.567599 9.57344 -1.72878 27.4664 # Removing break moved up 3 to before 34 # jumping subtree containing (T0187)G311 jump= 0.406744 0.0236589 -0.82127 -0.399393 29.0632 15.8665 -40.4547 # Removing break before 29 # jumping subtree containing (T0187)E312 jump= -0.677094 0.633341 0.352734 0.126497 -8.51263 -32.0566 -3.39986 # generation 23: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 76.6514 cost/residue, 305 clashes 0.0169214 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 58 ## InsertFragment 43 ## TwoFragment 12 ## CrossOver 55 ## CrossAndInsert 39 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 274 ## OptSubtree 88 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 94 # Removing break moved up 3 to before 34 # jumping subtree containing (T0187)R325 jump= -0.976405 0.160271 0.0187247 -0.143511 10.6476 -2.07696 -4.49541 # generation 24: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 76.6514 cost/residue, 305 clashes 0.0169214 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 58 ## InsertFragment 43 ## TwoFragment 12 ## CrossOver 55 ## CrossAndInsert 39 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 294 ## OptSubtree 97 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.862277 -0.200785 -0.462809 0.0443983 -11.1186 -5.71188 30.2938 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)L392 jump= -0.925241 0.308312 0.221066 0.00158133 -10.8246 -15.1856 24.9949 # jumping subtree containing (T0187)T371 jump= 0.202448 -0.00289392 0.978801 -0.030914 -16.9194 6.65797 10.1366 # jumping subtree containing (T0187)L399 jump= 0.671792 0.275977 -0.077305 0.683049 27.2504 24.2097 -7.67334 # Removing break moved up 3 to before 94 # generation 25: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 76.6465 cost/residue, 305 clashes 0.0169215 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 58 ## InsertFragment 44 ## TwoFragment 12 ## CrossOver 58 ## CrossAndInsert 40 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 306 ## OptSubtree 104 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 94 # Removing break moved up 3 to before 94 # Removing break moved up 3 to before 94 # Removing break moved up 3 to before 94 # generation 26: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 76.4083 cost/residue, 305 clashes 0.0169214 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 59 ## InsertFragment 44 ## TwoFragment 12 ## CrossOver 60 ## CrossAndInsert 40 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 322 ## OptSubtree 110 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 94 # generation 27: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 76.4083 cost/residue, 305 clashes 0.0169215 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 59 ## InsertFragment 44 ## TwoFragment 12 ## CrossOver 61 ## CrossAndInsert 40 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 344 ## OptSubtree 117 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 94 # generation 28: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 76.4083 cost/residue, 305 clashes 0.0169214 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 59 ## InsertFragment 44 ## TwoFragment 12 ## CrossOver 63 ## CrossAndInsert 40 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 366 ## OptSubtree 125 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G323 jump= 0.792213 0.606605 0.0294848 0.0596621 -18.614 31.9397 27.8376 # jumping subtree containing (T0187)L392 jump= -0.501902 0.218214 0.80182 0.239919 36.3411 6.61206 37.368 # Removing break moved up 3 to before 94 # generation 29: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 76.4038 cost/residue, 317 clashes 0.0376468 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 59 ## InsertFragment 44 ## TwoFragment 12 ## CrossOver 66 ## CrossAndInsert 40 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 379 ## OptSubtree 132 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E341 jump= 0.172737 0.827546 0.358444 0.39604 -42.9718 34.9893 23.6836 # Removing break moved up 3 to before 94 # generation 30: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 76.3952 cost/residue, 309 clashes 0.0169214 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 59 ## InsertFragment 44 ## TwoFragment 12 ## CrossOver 67 ## CrossAndInsert 40 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 393 ## OptSubtree 143 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= 0.540192 -0.16593 0.725526 0.392775 36.3696 -16.9084 54.8212 # Removing break moved up 3 to before 94 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)E312 jump= 0.0934833 -0.441757 -0.0303555 0.891734 54.754 51.1316 15.4991 # generation 31: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 76.3167 cost/residue, 302 clashes 0.0254019 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 60 ## InsertFragment 44 ## TwoFragment 12 ## CrossOver 69 ## CrossAndInsert 40 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 413 ## OptSubtree 153 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E312 jump= -0.628123 -0.728789 0.142613 0.232357 17.4561 57.7165 15.9523 # Removing break moved up 3 to before 94 # generation 32: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 76.1363 cost/residue, 306 clashes 0.0248097 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 60 ## InsertFragment 44 ## TwoFragment 12 ## CrossOver 71 ## CrossAndInsert 40 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 432 ## OptSubtree 163 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 94 # Removing break moved up 3 to before 94 # Removing break before 29 # jumping subtree containing (T0187)A330 jump= -0.884049 -0.301969 -0.314291 0.168797 -7.87922 30.4681 16.7984 # generation 33: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 76.1362 cost/residue, 306 clashes 0.0248097 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 60 ## InsertFragment 44 ## TwoFragment 12 ## CrossOver 73 ## CrossAndInsert 40 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 455 ## OptSubtree 170 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L329 jump= 0.712318 0.519264 0.294003 -0.3695 15.7078 56.9758 46.6187 # jumping subtree containing (T0187)K370 jump= -0.934373 -0.0518319 -0.11958 -0.331604 -7.1342 -30.4618 23.6358 # jumping subtree containing (T0187)A330 jump= 0.129979 0.442686 0.72297 -0.514246 31.6817 42.6702 70.3803 # jumping subtree containing (T0187)L392 jump= 0.965096 -0.100509 0.137982 0.198615 23.2017 -18.4149 -4.93733 # Removing break moved up 3 to before 94 # Removing break moved up 3 to before 94 # generation 34: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 76.1362 cost/residue, 306 clashes 0.0248097 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 60 ## InsertFragment 44 ## TwoFragment 12 ## CrossOver 73 ## CrossAndInsert 40 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 477 ## OptSubtree 181 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G396 jump= 0.43884 0.460341 -0.76435 0.106186 43.6947 31.768 83.4131 # jumping subtree containing (T0187)L329 jump= -0.324356 -0.19999 -0.825 -0.41734 -36.5028 7.96575 18.9966 # jumping subtree containing (T0187)P379 jump= 0.789174 -0.351694 0.0291919 0.502656 47.4334 -57.9399 21.3349 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)L392 jump= 0.577923 -0.222109 0.270476 0.737235 24.6445 -20.4003 5.64355 # generation 35: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 76.1343 cost/residue, 306 clashes 0.0248097 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 60 ## InsertFragment 44 ## TwoFragment 12 ## CrossOver 77 ## CrossAndInsert 40 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 488 ## OptSubtree 190 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L392 jump= -0.547165 -0.537792 0.628358 -0.128671 36.7538 55.3021 48.5914 # jumping subtree containing (T0187)G339 jump= 0.711127 0.387638 0.367249 0.457344 -84.0526 65.9967 -2.46692 # jumping subtree containing (T0187)E312 jump= -0.999995 -0.0016414 -0.00238868 -0.00129747 -0.202515 8.76397 -24.3056 # jumping subtree containing (T0187)L392 jump= 0.686832 -0.552903 0.253158 0.398085 40.2166 -18.5399 30.9947 # jumping subtree containing (T0187)L392 jump= -0.604297 -0.0135184 -0.789579 0.105864 -36.4351 13.1318 35.6057 # Removing break before 28 # generation 36: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 76.1342 cost/residue, 306 clashes 0.0248097 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 60 ## InsertFragment 44 ## TwoFragment 12 ## CrossOver 84 ## CrossAndInsert 40 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 497 ## OptSubtree 198 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L329 jump= 0.9968 0.00647511 -0.0254686 0.0754923 -12.9749 -8.33483 18.6286 # jumping subtree containing (T0187)E312 jump= 0.719584 0.422837 -0.315063 -0.451822 27.4786 2.9696 15.0271 # jumping subtree containing (T0187)L329 jump= 0.977091 -0.19162 0.0327714 -0.0866124 -10.3929 -0.649946 15.7643 # Removing break before 28 # jumping subtree containing (T0187)E312 jump= -0.924958 -0.339655 -0.170097 0.0124094 -23.8729 45.8914 4.30744 # Removing break before 28 # jumping subtree containing (T0187)P379 jump= -0.984667 -0.1419 0.097385 0.0284727 -5.11015 38.6276 -11.656 # generation 37: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 76.1341 cost/residue, 306 clashes 0.0248097 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 60 ## InsertFragment 44 ## TwoFragment 12 ## CrossOver 87 ## CrossAndInsert 40 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 509 ## OptSubtree 209 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D358 jump= -0.963696 -0.0746972 -0.183703 -0.178786 -8.76995 32.7299 -1.32752 # jumping subtree containing (T0187)L392 jump= -0.293127 -0.52923 0.791655 0.085297 13.9651 -4.70635 85.5343 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)L329 jump= -0.637816 -0.742025 0.206069 0.0111602 -1.76627 73.2555 80.8391 # jumping subtree containing (T0187)D358 jump= -0.322783 0.101577 -0.918819 0.203137 -47.4674 14.4231 139.611 # jumping subtree containing (T0187)L392 jump= 0.132086 0.345486 0.6052 -0.70493 -73.8704 151.067 71.154 # jumping subtree containing (T0187)V314 jump= -0.856485 -0.446938 0.147989 -0.211613 8.86284 81.505 20.3166 # jumping subtree containing (T0187)L392 jump= -0.390849 -0.348724 -0.843631 0.117961 -136.577 62.834 85.9822 # generation 38: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 76.0001 cost/residue, 295 clashes 0.0248097 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 44 ## TwoFragment 12 ## CrossOver 93 ## CrossAndInsert 40 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 519 ## OptSubtree 221 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G402 jump= -0.0866735 0.947299 -0.276079 0.137449 -10.6797 72.4223 179.24 # jumping subtree containing (T0187)L329 jump= 0.493497 -0.369674 0.113323 -0.779076 -110.093 -23.7344 69.0458 # jumping subtree containing (T0187)L392 jump= -0.64902 -0.322 0.563193 0.39737 21.747 -5.54646 52.6826 # generation 39: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.9998 cost/residue, 295 clashes 0.0248098 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 45 ## TwoFragment 12 ## CrossOver 97 ## CrossAndInsert 40 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 529 ## OptSubtree 230 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # jumping subtree containing (T0187)L392 jump= 0.375226 -0.459801 -0.625669 0.506288 -9.48104 96.3221 119.82 # generation 40: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.9061 cost/residue, 295 clashes 0.027556 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 99 ## CrossAndInsert 40 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 551 ## OptSubtree 238 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L392 jump= -0.986972 0.0288345 -0.150922 -0.0477176 -16.2003 -3.64241 -8.80468 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)E312 jump= -0.82631 0.362364 0.246171 -0.353983 46.0493 29.2047 76.5499 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)L392 jump= 0.614929 -0.724779 -0.310728 -0.00241651 7.38764 -39.4791 192.789 # jumping subtree containing (T0187)E312 jump= -0.631215 0.163884 0.157795 -0.741492 -23.7676 88.0575 9.16646 # generation 41: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.9059 cost/residue, 295 clashes 0.027556 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 103 ## CrossAndInsert 40 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 564 ## OptSubtree 248 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # jumping subtree containing (T0187)L329 jump= -0.873356 0.0481517 -0.285561 -0.391645 -37.5358 11.548 -11.7755 # Removing break moved up 3 to before 94 # generation 42: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.9059 cost/residue, 295 clashes 0.027556 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 103 ## CrossAndInsert 40 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 592 ## OptSubtree 256 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)L392 jump= 0.365635 0.111347 -0.878049 0.287997 3.2101 32.2923 153.813 # jumping subtree containing (T0187)L392 jump= -0.809234 -0.360009 0.139695 -0.44274 4.95239 102.648 7.4339 # jumping subtree containing (T0187)A333 jump= -1 0.000845553 -0.00018287 -0.000417421 -2.4337 12.0205 14.3631 # jumping subtree containing (T0187)A333 jump= 0.486819 0.848372 -0.204484 -0.0381747 17.3914 50.975 79.202 # jumping subtree containing (T0187)A333 jump= -0.496544 0.069526 -0.863483 -0.0548375 -155.237 -28.3142 66.7174 # jumping subtree containing (T0187)A333 jump= 0.406909 0.659145 -0.581629 0.248316 22.7581 91.8749 127.097 # jumping subtree containing (T0187)E312 jump= -0.472423 -0.418762 -0.284876 -0.721318 -63.6068 16.1151 22.5966 # generation 43: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.7553 cost/residue, 297 clashes 0.0337707 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 106 ## CrossAndInsert 40 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 609 ## OptSubtree 265 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A333 jump= 0.510422 0.382264 -0.104553 0.763159 -74.981 87.059 44.8524 # jumping subtree containing (T0187)E312 jump= -0.652565 -0.435119 0.540459 -0.304523 36.7027 70.1882 67.562 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)L392 jump= 0.857302 -0.487186 -0.160232 -0.0448054 12.0482 -36.3356 91.4731 # jumping subtree containing (T0187)E312 jump= -0.075556 0.217338 -0.690069 0.686193 -79.1681 69.6104 82.003 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)L392 jump= 0.777818 0.297559 -0.0708823 0.549029 -4.00547 110.184 11.9579 # generation 44: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.7552 cost/residue, 297 clashes 0.0337707 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 107 ## CrossAndInsert 40 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 621 ## OptSubtree 276 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # Removing break moved up 3 to before 94 # Removing break before 32 # jumping subtree containing (T0187)L411 jump= -0.792322 -0.41663 -0.203675 -0.396435 -53.991 110.3 23.7027 # Removing break moved up 3 to before 94 # Removing break before 32 # generation 45: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.7551 cost/residue, 297 clashes 0.033771 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 109 ## CrossAndInsert 40 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 644 ## OptSubtree 286 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E312 jump= 0.0722222 -0.76693 0.630974 -0.0920549 12.8503 26.4491 129.699 # jumping subtree containing (T0187)E312 jump= 0.840053 0.111741 -0.492944 0.197056 39.4342 16.5962 52.3733 # jumping subtree containing (T0187)L392 jump= 0.602085 0.412257 0.277757 -0.624811 -81.8806 70.0898 -9.03481 # generation 46: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.7551 cost/residue, 297 clashes 0.033771 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 110 ## CrossAndInsert 40 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 658 ## OptSubtree 297 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A333 jump= 0.383981 -0.579993 -0.497176 -0.518636 -105.23 -38.8162 138.265 # Removing break before 32 # jumping subtree containing (T0187)G376 jump= 0.96474 -0.02185 0.257017 -0.0523558 -48.2949 -21.5756 14.2085 # jumping subtree containing (T0187)G376 jump= 0.213678 -0.630869 -0.275789 -0.693027 -147.999 8.86146 143.011 # Removing break moved up 3 to before 94 # generation 47: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.755 cost/residue, 297 clashes 0.033771 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 113 ## CrossAndInsert 40 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 668 ## OptSubtree 308 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T406 jump= -0.792145 0.610126 -3.92077e-05 0.0158695 -3.71248 -40.985 124.767 # jumping subtree containing (T0187)L301 jump= 0.586527 -0.67686 0.440626 -0.0607916 -89.2128 -69.9944 142.275 # jumping subtree containing (T0187)S347 jump= -0.843538 -0.0330677 0.518418 -0.136355 57.6363 41.2927 69.457 # Removing break moved up 3 to before 94 # Removing break before 32 # generation 48: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.755 cost/residue, 297 clashes 0.033771 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 125 ## CrossAndInsert 40 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 674 ## OptSubtree 314 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # jumping subtree containing (T0187)G376 jump= -0.107913 0.283638 -0.858113 0.414182 -102.067 61.0578 194.688 # jumping subtree containing (T0187)G376 jump= 0.549808 -0.176941 -0.781163 -0.237039 -39.3014 -42.4199 164.557 # jumping subtree containing (T0187)G376 jump= -0.944273 -0.267527 0.0353303 0.188492 -9.11738 34.9525 1.9227 # generation 49: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.755 cost/residue, 297 clashes 0.033771 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 134 ## CrossAndInsert 40 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 682 ## OptSubtree 321 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L392 jump= -0.448464 -0.804985 0.359071 -0.148147 31.0419 113.835 131.584 # jumping subtree containing (T0187)A333 jump= -0.967257 0.148466 0.0380581 0.202295 -31.3558 -24.8403 26.7037 # jumping subtree containing (T0187)G339 jump= 0.999856 0.0069127 0.0122076 0.00959547 -10.0011 22.7782 2.97375 # jumping subtree containing (T0187)L392 jump= 0.271473 0.0358013 -0.961548 0.0211133 -12.2308 11.7259 131.95 # generation 50: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.755 cost/residue, 297 clashes 0.033771 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 139 ## CrossAndInsert 40 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 689 ## OptSubtree 333 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T406 jump= -0.446566 -0.470055 0.204217 0.733432 -19.8937 40.5907 -5.19311 # jumping subtree containing (T0187)T406 jump= 0.992845 0.0540146 0.0273171 0.102932 19.9176 31.9348 -6.51761 # jumping subtree containing (T0187)L392 jump= -0.799341 -0.195495 -0.558934 0.102121 -145.449 64.3213 -19.6657 # jumping subtree containing (T0187)G376 jump= -0.938999 0.10453 0.313691 0.0946194 41.2983 -9.7856 54.7025 # Removing break before 32 # generation 51: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.7273 cost/residue, 297 clashes 0.0335868 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 146 ## CrossAndInsert 40 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 695 ## OptSubtree 343 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 94 # generation 52: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.7273 cost/residue, 297 clashes 0.0335868 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 150 ## CrossAndInsert 40 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 701 ## OptSubtree 358 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L392 jump= 0.74352 0.0525496 -0.663279 -0.0669169 58.6642 -28.6367 132.703 # jumping subtree containing (T0187)G324 jump= 0.99227 -0.0804276 -0.0435996 0.0838536 25.8676 -10.7502 19.9003 # jumping subtree containing (T0187)T406 jump= -0.144704 -0.00384127 -0.81423 -0.562206 -134.197 -51.2699 54.3224 # jumping subtree containing (T0187)T406 jump= -0.677994 -0.560281 0.475819 0.00245573 84.0156 104.614 114.166 # jumping subtree containing (T0187)L392 jump= -0.907408 0.0282432 0.261298 -0.327926 75.1711 73.4343 67.7605 # jumping subtree containing (T0187)G376 jump= -0.284915 0.504566 -0.687622 0.437507 -106.018 28.9213 190.866 # generation 53: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.6932 cost/residue, 294 clashes 0.0335867 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 154 ## CrossAndInsert 40 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 717 ## OptSubtree 371 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # jumping subtree containing (T0187)G376 jump= -0.625616 -0.187484 0.275068 -0.705544 14.6742 146.474 77.9078 # jumping subtree containing (T0187)G376 jump= -0.956883 0.154454 0.215751 -0.118194 34.4473 7.98252 31.3242 # generation 54: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.6928 cost/residue, 294 clashes 0.0335867 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 158 ## CrossAndInsert 40 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 726 ## OptSubtree 388 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G376 jump= 0.369616 -0.382629 0.33155 0.779136 -3.59565 24.8306 9.84164 # jumping subtree containing (T0187)G376 jump= -0.938213 0.183747 -0.0389143 0.290654 -49.1915 -45.4757 28.4305 # jumping subtree containing (T0187)G376 jump= -0.643842 0.680297 -0.127637 0.326146 -95.7817 -30.161 178.16 # jumping subtree containing (T0187)T406 jump= 0.530206 -0.266957 0.727688 0.343637 -86.4902 -67.2514 87.6628 # jumping subtree containing (T0187)E312 jump= 0.430531 -0.379863 -0.769564 0.279497 -18.8267 75.5291 208.397 # generation 55: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.6926 cost/residue, 294 clashes 0.0335867 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 162 ## CrossAndInsert 40 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 743 ## OptSubtree 399 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 75 # jumping subtree containing (T0187)A333 jump= 0.983384 0.0118333 0.130211 0.125943 -42.3913 2.58988 0.0478954 # jumping subtree containing (T0187)E312 jump= -0.733354 0.177614 0.509643 0.413412 -23.8401 -56.3008 91.5663 # jumping subtree containing (T0187)A333 jump= 0.397144 0.577067 -0.649274 -0.296165 111.404 40.8556 117.368 # generation 56: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.6926 cost/residue, 294 clashes 0.0335867 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 46 ## TwoFragment 12 ## CrossOver 167 ## CrossAndInsert 40 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 751 ## OptSubtree 410 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.965632 0.156554 0.0635043 0.197518 -10.6294 38.3878 -38.9568 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)G376 jump= -0.970271 0.236915 -0.0388024 0.0306423 -9.43704 -60.77 34.9819 # generation 57: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.5923 cost/residue, 294 clashes 0.047539 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 47 ## TwoFragment 12 ## CrossOver 169 ## CrossAndInsert 40 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 765 ## OptSubtree 418 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E312 jump= 0.9967 -0.00330583 0.00985406 -0.080511 -7.12207 -20.8802 17.9703 # jumping subtree containing (T0187)G376 jump= -0.581 0.464059 0.629698 -0.224876 57.0133 46.3038 189.432 # Removing break moved up 3 to before 94 # Removing break before 32 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)L301 jump= -0.403762 0.0431101 -0.904239 0.13217 -130.745 2.04212 134.906 # generation 58: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.5923 cost/residue, 294 clashes 0.047539 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 47 ## TwoFragment 12 ## CrossOver 172 ## CrossAndInsert 40 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 774 ## OptSubtree 430 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T406 jump= -0.998383 -0.00138487 -0.00367245 0.0567058 15.6673 -13.4448 -8.9247 # jumping subtree containing (T0187)P379 jump= 0.084574 -0.499665 0.549673 0.66411 43.9381 -15.8916 30.1755 # jumping subtree containing (T0187)G376 jump= 0.933384 -0.296449 -0.20226 0.00186219 49.3772 -24.4532 78.0268 # generation 59: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.5562 cost/residue, 292 clashes 0.0335864 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 47 ## TwoFragment 12 ## CrossOver 177 ## CrossAndInsert 40 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 801 ## OptSubtree 436 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V315 jump= -0.386772 -0.276243 0.448031 -0.757209 17.9167 196.48 114.128 # jumping subtree containing (T0187)G376 jump= -0.128937 -0.648442 0.720504 0.209218 72.2462 23.1971 128.606 # jumping subtree containing (T0187)A333 jump= 0.899991 0.353347 0.15336 -0.204065 -49.47 90.5656 -14.7214 # jumping subtree containing (T0187)L392 jump= 0.12499 -0.20226 0.522034 0.819114 -8.78452 27.8084 -6.882 # jumping subtree containing (T0187)V315 jump= -0.976438 0.00419427 0.207238 0.0600368 45.0212 -20.3854 21.2628 # jumping subtree containing (T0187)G376 jump= -0.641883 0.150453 -0.523315 -0.5399 3.90353 -29.897 29.8377 # generation 60: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.5412 cost/residue, 292 clashes 0.0335866 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 180 ## CrossAndInsert 41 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 821 ## OptSubtree 447 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K303 jump= 0.982478 -0.154659 -0.103945 -0.00349192 8.46321 -22.7366 22.1733 # Removing break moved up 3 to before 94 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)L301 jump= -0.870162 0.445458 0.210549 -0.00740544 16.6621 -33.5493 119.306 # generation 61: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.5236 cost/residue, 290 clashes 0.0335867 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 185 ## CrossAndInsert 41 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 837 ## OptSubtree 457 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.255693 -0.423524 0.867574 0.0506445 -2.5842 -26.2425 272.818 # jumping subtree containing (T0187)T406 jump= -0.988916 0.0367944 -0.0288761 0.14092 -36.4667 1.24045 -15.42 # Removing break before 75 # generation 62: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.5236 cost/residue, 290 clashes 0.0335865 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 189 ## CrossAndInsert 41 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 864 ## OptSubtree 463 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G376 jump= 0.202453 -0.197822 -0.362168 -0.888095 -119.39 22.147 11.5157 # jumping subtree containing (T0187)G376 jump= 0.35086 0.666928 0.225589 0.617425 -116.597 159.73 51.2953 # jumping subtree containing (T0187)G376 jump= 0.881265 0.242455 0.281872 -0.291782 -85.8869 50.8975 -16.4581 # Removing break moved up 3 to before 94 # generation 63: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.5107 cost/residue, 290 clashes 0.0335868 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 193 ## CrossAndInsert 41 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 879 ## OptSubtree 478 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T406 jump= -0.720362 0.560733 0.360675 -0.191232 54.9225 10.9671 176.064 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)T406 jump= -0.497131 -0.787844 -0.363084 -0.0182485 -98.6473 171.796 80.2607 # Removing break before 32 # Removing break before 32 # Removing break moved up 3 to before 94 # Removing break before 32 # jumping subtree containing (T0187)L301 jump= -0.462064 -0.041698 0.86086 0.208991 43.9262 -27.5612 111.425 # generation 64: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.5105 cost/residue, 290 clashes 0.0335868 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 195 ## CrossAndInsert 41 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 896 ## OptSubtree 496 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)G405 jump= -0.0986193 0.312392 -0.320439 0.888822 -144.223 151.334 128.603 # Removing break before 32 # jumping subtree containing (T0187)A333 jump= -0.524685 0.0268931 0.605252 0.598041 -22.6385 -56.0742 23.0789 # jumping subtree containing (T0187)L301 jump= -0.892865 -0.215706 -0.00218777 0.395296 -26.148 33.9321 -2.98027 # jumping subtree containing (T0187)G405 jump= 0.575424 0.269442 0.737691 0.228254 -97.3682 -3.30853 84.0291 # generation 65: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.5098 cost/residue, 290 clashes 0.0335869 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 199 ## CrossAndInsert 41 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 917 ## OptSubtree 501 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G376 jump= 0.942711 -0.0511265 0.197065 0.264288 9.94639 -13.3303 9.10568 # jumping subtree containing (T0187)E312 jump= -0.878948 -0.00838035 0.427195 0.211861 15.4086 -35.0824 39.225 # jumping subtree containing (T0187)G376 jump= -0.39623 0.468637 0.635811 0.468109 -101.725 -33.5358 148.306 # jumping subtree containing (T0187)T406 jump= 0.872467 -0.0493731 0.0661559 -0.48165 -109.37 59.494 38.0758 # jumping subtree containing (T0187)Q327 jump= 0.145419 -0.517674 -0.831202 -0.141314 -83.2783 39.7577 138.876 # jumping subtree containing (T0187)G376 jump= -0.999279 -0.0178172 0.0194276 -0.0273383 17.6043 -16.1268 -6.07544 # jumping subtree containing (T0187)Y382 jump= -0.949213 -0.19848 0.115275 -0.215204 61.0986 82.4867 -45.7834 # generation 66: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.5093 cost/residue, 290 clashes 0.0335868 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 204 ## CrossAndInsert 41 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 935 ## OptSubtree 512 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= 0.55638 0.48929 0.483056 -0.466576 -132.577 186.745 50.1041 # jumping subtree containing (T0187)L301 jump= -0.457792 0.794915 -0.394435 0.0543847 -37.3703 0.0537205 212.881 # jumping subtree containing (T0187)T406 jump= 0.695939 -0.660249 -0.105132 -0.262082 -61.6099 -7.94979 165.833 # generation 67: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.5093 cost/residue, 290 clashes 0.0335868 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 207 ## CrossAndInsert 41 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 949 ## OptSubtree 526 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)L301 jump= -0.0217374 -0.0079491 0.82912 -0.558591 -60.2629 157.536 250.182 # generation 68: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.4526 cost/residue, 297 clashes 0.033587 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 210 ## CrossAndInsert 42 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 972 ## OptSubtree 531 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)T406 jump= -0.447743 0.0119414 -0.464385 0.764022 -241.818 121.484 84.9093 # jumping subtree containing (T0187)G376 jump= 0.221137 -0.667957 0.580178 0.410275 54.4443 -5.86984 161.93 # jumping subtree containing (T0187)G376 jump= 0.311945 0.271117 -0.481906 0.772627 23.7879 255.069 172.862 # jumping subtree containing (T0187)G376 jump= -0.570166 -0.634562 0.502401 -0.140835 85.1955 183.598 192.362 # generation 69: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.4522 cost/residue, 297 clashes 0.0335867 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 212 ## CrossAndInsert 42 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 991 ## OptSubtree 544 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I413 jump= -0.89905 0.312754 -0.230591 0.201796 -95.576 -48.2016 101.613 # Removing break moved up 3 to before 94 # Removing break moved up 3 to before 94 # Removing break moved up 3 to before 94 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)A333 jump= 0.982808 -0.114479 -0.142363 -0.0267522 39.2726 -39.7574 16.4473 # jumping subtree containing (T0187)G405 jump= 0.997879 -0.0365514 -0.0262132 -0.0470631 -7.47002 10.6795 7.71084 # generation 70: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3773 cost/residue, 297 clashes 0.0436394 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 215 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1008 ## OptSubtree 559 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G321 jump= 0.0595104 -0.156228 -0.862144 0.478288 -60.1906 162.005 265.161 # Removing break before 75 # jumping subtree containing (T0187)G376 jump= -0.320296 0.89243 0.20492 -0.242871 61.1097 95.3769 245.054 # generation 71: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3767 cost/residue, 297 clashes 0.0436395 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 221 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1021 ## OptSubtree 566 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G376 jump= -0.999963 -0.00201643 -0.0013016 -0.00822984 4.18382 5.30635 28.4725 # Removing break moved up 3 to before 94 # generation 72: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3766 cost/residue, 297 clashes 0.0436396 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 221 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1040 ## OptSubtree 582 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T406 jump= 0.900913 0.348888 0.251547 0.0579384 -66.8237 59.3912 -15.8833 # jumping subtree containing (T0187)T406 jump= -0.368948 0.103607 0.00165346 0.923656 -173.329 84.2052 31.9061 # jumping subtree containing (T0187)T406 jump= -0.776483 0.509896 -0.367399 0.0458102 -80.1994 -72.2193 119.998 # Removing break moved up 3 to before 94 # generation 73: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3764 cost/residue, 297 clashes 0.0436394 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 222 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1050 ## OptSubtree 597 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.781359 0.0294392 0.512863 -0.354378 -172.857 46.7938 25.7759 # jumping subtree containing (T0187)L392 jump= 0.918371 -0.272818 -0.220083 -0.183653 -19.0245 -64.3308 76.3152 # jumping subtree containing (T0187)L337 jump= -0.210055 -0.924083 -0.202623 -0.246763 -108.772 154.097 248.214 # Removing break moved up 3 to before 94 # generation 74: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3763 cost/residue, 297 clashes 0.0436388 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 224 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1059 ## OptSubtree 610 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A333 jump= 0.99463 -0.00763856 0.0890715 -0.0521523 -6.25941 -6.21069 -16.4931 # jumping subtree containing (T0187)L301 jump= -0.476892 -0.831677 -0.0698257 0.275701 9.66168 167.929 118.308 # generation 75: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3763 cost/residue, 297 clashes 0.0436388 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 228 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1063 ## OptSubtree 626 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G376 jump= 0.973678 -0.0402452 -0.0113091 -0.224062 -19.5252 -9.4639 0.699972 # jumping subtree containing (T0187)L301 jump= -0.818774 -0.30634 -0.0130378 0.485382 -51.5025 105.009 -44.3407 # generation 76: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3763 cost/residue, 297 clashes 0.0436388 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 236 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1066 ## OptSubtree 639 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T406 jump= -0.800766 0.220538 0.0765139 0.551617 -104.842 -13.6643 37.5461 # jumping subtree containing (T0187)G311 jump= 0.601011 0.403492 0.277024 0.631853 -75.9742 142.312 2.25129 # jumping subtree containing (T0187)G376 jump= 0.762198 0.549101 -0.0227298 -0.342089 -0.0615344 167.014 -10.8448 # generation 77: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3684 cost/residue, 297 clashes 0.0436388 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 242 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1070 ## OptSubtree 653 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T406 jump= -0.969375 0.21644 0.0236158 -0.113613 46.8702 -64.263 31.449 # jumping subtree containing (T0187)G414 jump= 0.577678 0.624311 0.178663 0.494573 -109.405 226.271 34.6572 # Removing break moved up 3 to before 94 # generation 78: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3684 cost/residue, 297 clashes 0.0436388 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 245 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1086 ## OptSubtree 662 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)T406 jump= 0.865612 0.437952 -0.178054 -0.164954 24.8937 91.0864 -17.6476 # jumping subtree containing (T0187)A360 jump= -0.986135 -0.158107 0.0500695 0.00566769 0.63669 66.9364 -19.4417 # jumping subtree containing (T0187)L337 jump= -0.218798 0.142811 -0.524238 0.810498 -121.087 187.406 165.72 # jumping subtree containing (T0187)L301 jump= 0.900803 -0.196324 -0.215096 0.322093 85.7541 -1.39992 67.2975 # generation 79: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3683 cost/residue, 297 clashes 0.0436388 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 246 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1108 ## OptSubtree 674 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L392 jump= -0.902791 0.386537 0.110537 -0.152771 48.8538 -45.2708 106.725 # jumping subtree containing (T0187)L392 jump= -0.089716 0.470115 0.667882 -0.569979 -5.28932 188.84 211.581 # jumping subtree containing (T0187)L301 jump= -0.0473523 0.0565832 0.557795 0.826693 -83.0934 -8.15602 -4.52572 # jumping subtree containing (T0187)G376 jump= 0.715398 -0.132141 -0.642962 -0.239466 21.2506 -54.3737 146.011 # jumping subtree containing (T0187)T406 jump= 0.954114 -0.134434 -0.0515404 -0.262558 -13.9781 -41.9061 18.8965 # jumping subtree containing (T0187)I335 jump= -0.853012 0.414018 0.139186 -0.285634 85.2675 -15.7638 141.442 # generation 80: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3683 cost/residue, 297 clashes 0.043639 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 249 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1115 ## OptSubtree 688 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L392 jump= -0.896048 0.434479 0.0325433 0.0852474 -17.7231 -42.3997 99.0825 # jumping subtree containing (T0187)L337 jump= 0.942527 0.070232 0.0102911 0.326504 14.3595 58.272 -0.968965 # jumping subtree containing (T0187)G405 jump= -0.847678 0.447708 0.160118 0.235293 -35.2816 -84.885 101.13 # jumping subtree containing (T0187)T406 jump= -0.345518 -0.703598 -0.610193 0.115025 -131.716 177.661 157.088 # jumping subtree containing (T0187)I335 jump= 0.624377 -0.355599 -0.49506 -0.488485 -72.4639 -71.6923 142.097 # generation 81: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3683 cost/residue, 297 clashes 0.043639 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 253 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1118 ## OptSubtree 705 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= 0.049038 0.30679 0.345918 -0.885334 -27.5881 227.092 109.928 # jumping subtree containing (T0187)T406 jump= 0.0671118 0.035766 -0.464242 -0.882438 -89.5205 3.25383 10.1762 # jumping subtree containing (T0187)G405 jump= 0.0371037 0.555249 0.825913 -0.0904949 -106.668 117.307 237.09 # jumping subtree containing (T0187)R325 jump= 0.236213 0.944545 0.074403 -0.215645 51.9522 201.515 179.748 # generation 82: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3682 cost/residue, 297 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 265 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1120 ## OptSubtree 715 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L392 jump= 0.881765 -0.282995 0.00686865 -0.377303 -103.718 -29.1416 71.5426 # jumping subtree containing (T0187)L301 jump= 0.810678 0.415456 -0.0109937 -0.412405 -31.0379 93.1415 -23.9441 # jumping subtree containing (T0187)L392 jump= -0.633911 0.422178 -0.615645 0.202249 -129.377 -3.8547 167.285 # jumping subtree containing (T0187)L301 jump= -0.375513 0.0745226 -0.130969 0.914485 -138.402 119.391 10.1584 # jumping subtree containing (T0187)G310 jump= -0.553105 0.383277 0.454431 0.583666 -89.7185 -13.3836 109.287 # jumping subtree containing (T0187)T406 jump= -0.944194 0.240653 -0.203473 -0.095824 -27.5129 -48.0748 35.9193 # jumping subtree containing (T0187)G311 jump= -0.591523 -0.235267 0.0781788 0.767227 -28.604 86.0277 -19.2715 # jumping subtree containing (T0187)G405 jump= -0.857342 -0.179662 -0.338335 0.343826 -101.659 54.308 -11.7515 # jumping subtree containing (T0187)T406 jump= 0.541803 0.615544 0.36716 0.439031 -128.11 152.437 79.5156 # generation 83: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3682 cost/residue, 297 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 271 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1121 ## OptSubtree 732 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= -0.912882 -0.370817 0.134776 -0.104771 42.9818 127.841 -1.80891 # jumping subtree containing (T0187)L392 jump= -0.771621 0.254487 0.396659 0.427199 -24.8327 -73.4771 81.3732 # jumping subtree containing (T0187)G414 jump= -0.15015 -0.521559 -0.838525 -0.0480358 -162.75 113.846 208.252 # jumping subtree containing (T0187)G405 jump= 0.478548 -0.326953 -0.807177 -0.112065 -15.4929 1.11313 202.629 # jumping subtree containing (T0187)L392 jump= -0.823194 -0.239474 0.478589 -0.189622 97.1402 112.272 80.6109 # jumping subtree containing (T0187)L392 jump= -0.866776 -0.328506 0.311687 0.208888 56.2816 50.7031 -24.6162 # generation 84: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3682 cost/residue, 297 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 276 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1124 ## OptSubtree 748 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.821333 -0.522037 0.125054 0.193006 33.2641 134.24 -29.6494 # jumping subtree containing (T0187)L392 jump= 0.157278 0.470524 -0.0595787 0.866211 -121.585 181.883 47.4526 # jumping subtree containing (T0187)T406 jump= -0.861628 -0.233457 0.331043 -0.305787 60.2446 107.705 35.9134 # generation 85: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3682 cost/residue, 297 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 283 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1131 ## OptSubtree 758 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)L301 jump= -0.471702 0.705677 -0.0662581 -0.524525 88.4652 43.3295 153.852 # jumping subtree containing (T0187)L392 jump= 0.978554 0.0724146 0.187076 -0.046797 -41.2857 -4.74813 -4.58278 # jumping subtree containing (T0187)T406 jump= 0.381083 0.368723 0.218422 0.819214 -145.238 151.561 9.55374 # jumping subtree containing (T0187)T406 jump= 0.110968 0.542053 -0.426569 0.715474 -114.503 195.556 209.288 # generation 86: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3681 cost/residue, 297 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 288 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1134 ## OptSubtree 774 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.146386 -0.0442626 0.55421 0.818207 -44.1822 7.96136 -19.5117 # jumping subtree containing (T0187)L392 jump= 0.938427 -0.338114 0.0691933 -0.0156886 -7.14828 -74.6884 96.5042 # jumping subtree containing (T0187)T406 jump= -0.978347 0.147326 0.137801 0.0462876 11.0495 -27.4304 68.4076 # jumping subtree containing (T0187)L392 jump= -0.932462 0.0793827 0.277803 -0.216885 62.3917 23.9545 39.9688 # jumping subtree containing (T0187)L337 jump= 0.605629 0.112845 0.0668599 0.784863 -11.1904 160.608 -8.84368 # jumping subtree containing (T0187)L392 jump= -0.98664 0.088797 -0.0389676 -0.130914 4.94905 -7.715 10.9641 # jumping subtree containing (T0187)S395 jump= 0.510033 0.703805 0.491928 -0.0503228 -127.186 171.196 118.552 # generation 87: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.3681 cost/residue, 297 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 291 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1137 ## OptSubtree 792 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L392 jump= 0.514771 0.825613 0.113911 0.200993 -53.388 193.089 89.7819 # jumping subtree containing (T0187)G376 jump= -0.783114 0.184173 0.403597 -0.4358 102.001 63.2583 121.815 # jumping subtree containing (T0187)L392 jump= 0.973584 0.0833047 0.204484 -0.0581443 -77.0669 14.6325 7.65679 # jumping subtree containing (T0187)L392 jump= -0.761082 -0.174834 0.329058 -0.530951 63.2577 143.795 75.8484 # jumping subtree containing (T0187)L392 jump= 0.58031 0.0895514 0.807873 -0.0506146 -145.926 43.0919 130.647 # generation 88: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.1279 cost/residue, 271 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 49 ## TwoFragment 12 ## CrossOver 297 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1138 ## OptSubtree 808 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L392 jump= 0.761098 -0.202602 -0.603483 -0.124464 68.9657 -30.8149 127.182 # jumping subtree containing (T0187)T406 jump= -0.666525 -0.383838 -0.465306 0.438067 -163.74 165.235 58.6801 # jumping subtree containing (T0187)L345 jump= -0.516367 -0.35743 -0.690962 0.358023 -196.54 139.24 132.64 # jumping subtree containing (T0187)I335 jump= -0.589935 -0.313205 0.210036 0.713978 -3.81605 52.6016 -33.7379 # jumping subtree containing (T0187)T406 jump= -0.327971 0.845045 -0.262223 -0.331018 99.0899 27.4156 191.445 # jumping subtree containing (T0187)L392 jump= 0.504803 -0.588875 0.0801612 -0.626079 -146.18 36.5909 170.25 # generation 89: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.1279 cost/residue, 271 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 49 ## TwoFragment 12 ## CrossOver 300 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1149 ## OptSubtree 818 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.638105 0.725793 0.0821946 -0.243498 76.7966 9.02375 192.763 # jumping subtree containing (T0187)L392 jump= -0.780619 0.470275 -0.329417 0.2469 -128.437 -68.6079 136.713 # jumping subtree containing (T0187)G405 jump= -0.992971 0.107991 -0.008077 0.0477715 -8.86036 -55.5337 17.147 # jumping subtree containing (T0187)G405 jump= -0.902447 0.140637 -0.183929 0.363293 -115.884 0.353489 58.4127 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)L392 jump= 0.961548 -0.0413553 -0.156149 0.222108 62.9335 41.1128 31.5252 # generation 90: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.1279 cost/residue, 271 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 49 ## TwoFragment 12 ## CrossOver 301 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1168 ## OptSubtree 832 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T406 jump= 0.996884 0.0304133 -0.0689479 -0.0233092 7.76776 32.8508 -9.11348 # jumping subtree containing (T0187)I335 jump= 0.457462 0.239587 -0.0268012 -0.855926 -78.1027 201.879 -32.3034 # jumping subtree containing (T0187)G405 jump= 0.470525 -0.731209 0.169454 -0.463923 -154.792 40.5772 250.461 # jumping subtree containing (T0187)T406 jump= 0.538318 -0.456859 -0.136184 0.694944 105.871 122.136 103.356 # jumping subtree containing (T0187)L392 jump= 0.998268 0.016247 0.0542558 -0.0159016 12.2056 -3.31815 -13.8948 # jumping subtree containing (T0187)L337 jump= -0.772139 -0.455128 0.384026 0.221772 74.9588 90.8587 37.182 # generation 91: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.123 cost/residue, 271 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 49 ## TwoFragment 12 ## CrossOver 304 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1173 ## OptSubtree 848 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.749534 0.396146 0.102532 0.52034 -12.6125 176.578 -2.51792 # jumping subtree containing (T0187)L392 jump= 0.96379 0.106545 -0.238285 -0.054561 29.65 32.3314 20.2049 # jumping subtree containing (T0187)L337 jump= -0.424887 0.425689 0.0856733 0.794305 -214.729 37.2516 98.2444 # jumping subtree containing (T0187)L301 jump= 0.346466 -0.323234 0.777989 -0.41257 -138.935 50.0451 212.354 # jumping subtree containing (T0187)G405 jump= 0.976216 -0.215076 -0.0247682 0.0114439 4.47763 -70.5754 57.7588 # jumping subtree containing (T0187)L392 jump= 0.137295 -0.0460458 0.820754 0.552623 -41.8418 13.545 -8.08181 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)T404 jump= 0.998321 0.0186542 0.0503702 0.0216577 16.9797 16.7848 -11.4967 # generation 92: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.1227 cost/residue, 271 clashes 0.043639 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 49 ## TwoFragment 12 ## CrossOver 312 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1183 ## OptSubtree 854 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= -0.988014 -0.143004 -0.00839759 0.0575197 4.10863 48.7648 -11.036 # jumping subtree containing (T0187)T406 jump= 0.966816 0.205372 -0.0493363 -0.143718 0.362914 46.8889 6.83231 # jumping subtree containing (T0187)L301 jump= 0.911435 0.0759882 0.232939 0.330531 -0.753676 52.6224 -20.1523 # jumping subtree containing (T0187)F309 jump= 0.877469 -0.325341 -0.303514 0.17911 56.0949 -18.659 105.251 # jumping subtree containing (T0187)L301 jump= 0.201162 0.121464 -0.42406 -0.874616 -43.2476 42.691 -39.5999 # jumping subtree containing (T0187)T404 jump= 0.271388 -0.635174 -0.397066 0.604352 62.2741 228.397 183.967 # jumping subtree containing (T0187)G361 jump= -0.585528 0.634894 0.502142 -0.0438085 25.374 27.9941 256.127 # jumping subtree containing (T0187)L392 jump= 0.937465 -0.193433 -0.158997 -0.24179 -15.9576 -79.52 55.5201 # generation 93: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.1227 cost/residue, 271 clashes 0.0436384 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 49 ## TwoFragment 12 ## CrossOver 313 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1196 ## OptSubtree 874 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 75 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)G405 jump= -0.674989 -0.520551 -0.34336 0.39436 -103.142 169.722 16.3549 # jumping subtree containing (T0187)I412 jump= -0.907744 0.236916 0.00449455 0.346195 -77.8295 -43.6068 76.054 # jumping subtree containing (T0187)L301 jump= -0.986333 0.0639338 0.128403 -0.081066 42.965 -25.0603 46.4994 # jumping subtree containing (T0187)L301 jump= -0.0937442 0.605522 0.0983985 0.784138 -160.63 95.1087 110.309 # jumping subtree containing (T0187)S395 jump= -0.998121 -0.0436705 0.0411269 -0.0124777 0.342349 -1.61617 1.63513 # jumping subtree containing (T0187)T406 jump= 0.882438 0.176704 -0.188486 0.393131 72.0418 129.73 -2.54848 # jumping subtree containing (T0187)L392 jump= 0.598676 -0.604075 -0.482704 0.208992 14.2645 64.4039 257.194 # jumping subtree containing (T0187)G414 jump= -0.519155 0.382942 0.126567 0.753534 -186.613 -1.97183 112.376 # generation 94: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.1226 cost/residue, 271 clashes 0.043639 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 49 ## TwoFragment 12 ## CrossOver 316 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1207 ## OptSubtree 889 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= 0.446261 -0.144279 -0.697097 0.5423 45.6148 145.36 203.353 # jumping subtree containing (T0187)A348 jump= 0.997355 0.0693783 -0.0216814 0.000547807 -1.87743 37.6036 -15.6837 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)L301 jump= -0.358937 -0.508542 -0.767014 -0.155692 -170.385 67.2284 151.416 # jumping subtree containing (T0187)T406 jump= 0.496954 0.757503 0.255814 -0.33732 -26.1616 262.905 105.348 # jumping subtree containing (T0187)T404 jump= 0.996935 -0.0351169 0.0499043 -0.0489507 -24.8394 -20.2207 30.0473 # jumping subtree containing (T0187)L392 jump= 0.978613 0.202154 -0.0128028 0.0358797 25.5732 46.6863 -43.8377 # jumping subtree containing (T0187)T406 jump= -0.06661 0.317342 0.648926 -0.688297 -3.40132 229.563 218.797 # generation 95: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 75.1225 cost/residue, 271 clashes 0.0436387 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 49 ## TwoFragment 12 ## CrossOver 319 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1215 ## OptSubtree 902 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L392 jump= 0.961409 -0.0834057 0.153769 -0.212346 -79.74 0.21217 35.8081 # jumping subtree containing (T0187)L301 jump= -0.569203 -0.738042 0.117356 -0.342827 46.6953 246.971 21.9617 # Removing break before 75 # jumping subtree containing (T0187)L329 jump= -0.999654 -0.0239423 -0.000449549 -0.0109159 10.0034 15.4895 -5.93587 # jumping subtree containing (T0187)G405 jump= 0.643438 -0.0729997 -0.701023 0.298706 77.1981 59.9981 177.729 # jumping subtree containing (T0187)T406 jump= 0.81041 -0.23252 0.071765 -0.532936 -140.127 -0.638083 76.78 # jumping subtree containing (T0187)L392 jump= 0.953297 -0.193885 -0.12483 -0.195067 -22.8287 -38.0374 62.0416 # jumping subtree containing (T0187)I363 jump= -0.736373 -0.0700713 0.601823 0.301087 102.858 -38.615 96.8306 # jumping subtree containing (T0187)L392 jump= 0.998805 0.00426464 0.0351439 -0.0336855 0.028758 -1.16666 -16.0669 # generation 96: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9751 cost/residue, 261 clashes 0.0642989 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 324 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1223 ## OptSubtree 912 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T406 jump= -0.95234 0.201778 -0.226497 -0.0321311 -35.4117 -25.6006 19.4701 # jumping subtree containing (T0187)T406 jump= 0.616172 0.601713 0.382308 0.334834 -136.747 164.216 24.1536 # jumping subtree containing (T0187)L301 jump= -0.782049 0.060326 0.328824 0.52596 -61.3242 0.471195 17.994 # jumping subtree containing (T0187)L392 jump= -0.870492 0.417018 -0.259462 0.0319381 -42.8389 -63.3143 72.1809 # jumping subtree containing (T0187)G405 jump= 0.749976 -0.0477222 -0.5417 0.376591 108.438 83.6547 124.144 # jumping subtree containing (T0187)L301 jump= -0.978861 -0.0717455 -0.144113 0.126157 -41.7273 13.1385 4.3531 # jumping subtree containing (T0187)G405 jump= 0.622956 -0.0922987 0.412085 0.658478 -28.6869 -22.0425 -10.0361 # jumping subtree containing (T0187)T406 jump= -0.578652 -0.253051 -0.563869 0.532145 -168.828 166.105 105.713 # generation 97: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9751 cost/residue, 261 clashes 0.0642989 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 325 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1234 ## OptSubtree 926 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= 0.999692 -0.0139661 0.0204165 0.00201067 15.4624 -17.4545 -0.721024 # jumping subtree containing (T0187)T406 jump= 0.681863 -0.141833 0.0312774 -0.716916 -164.713 70.3025 6.53389 # jumping subtree containing (T0187)G310 jump= -0.48234 -0.0284373 0.854084 -0.192562 69.816 28.2465 175.067 # Removing break before 75 # jumping subtree containing (T0187)G405 jump= 0.731564 0.628045 0.24382 -0.104526 -65.6305 174.071 -0.771729 # jumping subtree containing (T0187)T406 jump= 0.55843 0.119236 -0.506923 -0.645731 4.40698 2.05459 11.8778 # jumping subtree containing (T0187)T406 jump= -0.986313 0.140906 -0.026143 0.081538 -22.1355 -7.04931 30.9198 # jumping subtree containing (T0187)G414 jump= 0.911368 0.311526 -0.116673 -0.242379 -2.54421 61.015 -66.3569 # generation 98: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.975 cost/residue, 261 clashes 0.0642986 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 325 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1253 ## OptSubtree 942 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T406 jump= 0.96511 -0.0241649 -0.155318 0.209417 63.4124 44.3495 22.622 # jumping subtree containing (T0187)G414 jump= 0.841083 0.313304 0.180859 -0.40213 -115.902 146.607 -31.5638 # Removing break before 113 # generation 99: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9748 cost/residue, 261 clashes 0.0642993 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 328 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1262 ## OptSubtree 955 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.392705 -0.700535 0.165052 -0.57253 26.4657 320.735 72.1755 # jumping subtree containing (T0187)P356 jump= 0.492643 0.273948 0.12253 0.816849 -24.1687 181.431 -37.2096 # jumping subtree containing (T0187)T406 jump= -0.213015 0.502785 0.808777 0.218428 -128.98 4.35311 172.939 # jumping subtree containing (T0187)T406 jump= -0.771654 0.509861 0.00843266 0.38016 -102.403 -43.6092 123.967 # jumping subtree containing (T0187)L301 jump= 0.0285094 -0.0532137 0.130847 -0.989563 -41.5368 245.47 48.3303 # jumping subtree containing (T0187)T406 jump= -0.479867 -0.311916 -0.819168 0.0373998 -158.528 89.6499 112.099 # generation 100: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9748 cost/residue, 261 clashes 0.0642993 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 329 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1276 ## OptSubtree 964 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G376 jump= -0.998535 -0.0215554 -0.00164395 -0.0495948 3.38595 -11.1569 -10.8271 # jumping subtree containing (T0187)I340 jump= 0.273073 -0.181065 -0.240139 -0.913772 -219.792 162.974 -18.4555 # jumping subtree containing (T0187)G376 jump= -0.567493 0.649398 -0.486596 0.139495 -11.5319 23.8081 257.735 # jumping subtree containing (T0187)T406 jump= 0.65892 -0.294746 -0.687864 0.0761084 19.1595 11.554 164.199 # generation 101: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9748 cost/residue, 261 clashes 0.0642993 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 331 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1288 ## OptSubtree 974 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G414 jump= 0.953746 0.0102599 0.259401 -0.151572 -107.783 10.7087 -27.9404 # jumping subtree containing (T0187)G414 jump= -0.324657 0.151871 -0.933543 -0.00546857 -40.2294 -5.00555 198.991 # jumping subtree containing (T0187)A334 jump= 0.389667 0.414318 -0.611444 -0.550124 86.3551 63.6847 -5.66171 # generation 102: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9748 cost/residue, 261 clashes 0.0642987 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 335 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1296 ## OptSubtree 986 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G414 jump= 0.0145808 -0.337223 -0.90732 0.250676 -81.9585 93.3817 262.984 # jumping subtree containing (T0187)G414 jump= 0.408476 -0.110299 -0.56453 -0.708722 -100.551 8.68006 3.2953 # jumping subtree containing (T0187)G414 jump= -0.0346489 -0.796165 0.513856 0.317604 146.108 112.11 123.409 # jumping subtree containing (T0187)T406 jump= 0.244208 0.122806 -0.914895 0.297066 71.7444 93.9436 212.816 # jumping subtree containing (T0187)L307 jump= -0.189458 0.361814 -0.911525 -0.0481454 74.8125 20.628 158.684 # jumping subtree containing (T0187)T406 jump= 0.113295 0.10069 -0.0938022 0.983985 -93.224 300.804 37.7176 # Removing break moved up 3 to before 94 # generation 103: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9745 cost/residue, 261 clashes 0.0642985 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 340 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1304 ## OptSubtree 997 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G414 jump= 0.918958 -0.266846 -0.278882 0.0808293 67.4687 -35.4384 121.621 # jumping subtree containing (T0187)G414 jump= -0.823747 0.159595 -0.492224 -0.231703 -53.0074 -20.8565 41.9692 # jumping subtree containing (T0187)G414 jump= 0.854364 -0.395041 -0.206365 0.267243 84.9945 1.159 151.109 # jumping subtree containing (T0187)G414 jump= -0.905103 -0.336986 -0.20204 -0.162508 -71.2823 127.6 -67.5415 # jumping subtree containing (T0187)L301 jump= -0.581991 -0.494044 -0.227389 0.604568 -87.6413 231.231 -20.2079 # jumping subtree containing (T0187)T406 jump= -0.13912 -0.39665 0.575776 -0.701282 -5.36488 236.873 180.848 # generation 104: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9745 cost/residue, 261 clashes 0.0642985 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 344 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1313 ## OptSubtree 1008 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 113 # jumping subtree containing (T0187)L392 jump= -0.991873 -0.0935646 -0.0860757 -0.00502535 -5.69824 10.6654 -29.8033 # jumping subtree containing (T0187)L392 jump= -0.99813 -0.00490701 -0.0357655 0.0493349 -30.073 -6.15475 -21.3731 # jumping subtree containing (T0187)G376 jump= -0.680604 0.0424394 -0.285837 -0.673257 50.3891 107.729 -19.2472 # jumping subtree containing (T0187)N326 jump= 0.0795022 0.164373 -0.889623 0.418606 36.1011 111.204 269.201 # jumping subtree containing (T0187)G414 jump= -0.175554 -0.0363653 0.639762 0.747371 -143.499 -6.02235 6.96042 # generation 105: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9745 cost/residue, 261 clashes 0.0642985 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 349 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1321 ## OptSubtree 1019 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= -0.898922 -0.150769 -0.37314 0.173128 -173.857 33.845 -18.3331 # jumping subtree containing (T0187)P356 jump= 0.651261 0.628687 0.393939 0.159447 -153.873 209.027 42.3606 # jumping subtree containing (T0187)G414 jump= 0.719135 -0.452719 -0.306486 0.428901 135.789 105.495 207.964 # jumping subtree containing (T0187)T406 jump= 0.966933 -0.165181 0.171315 -0.0916855 -41.6961 -56.5906 31.9571 # Removing break before 113 # jumping subtree containing (T0187)G414 jump= 0.046914 0.91742 0.262592 -0.295271 -12.228 277.08 231.114 # jumping subtree containing (T0187)T406 jump= -0.713107 0.00673611 0.361817 -0.600435 124.821 113.236 78.8913 # jumping subtree containing (T0187)A333 jump= 0.78809 0.209099 0.177385 -0.551114 -139.588 102.397 -27.4517 # jumping subtree containing (T0187)L301 jump= 0.934119 -0.151059 0.0870888 -0.311479 -128.696 -52.1727 23.8723 # jumping subtree containing (T0187)G414 jump= 0.982359 -0.062526 0.133943 -0.114543 -66.5174 2.80103 21.3577 # jumping subtree containing (T0187)G405 jump= -0.396266 -0.880254 -0.0403806 -0.257865 -67.7778 311.444 122.308 # generation 106: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9744 cost/residue, 261 clashes 0.0642984 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 355 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1333 ## OptSubtree 1025 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)G376 jump= -0.944703 0.289552 -0.066193 0.138976 -44.667 -94.9299 95.9974 # jumping subtree containing (T0187)I340 jump= 0.533263 0.69699 0.0491169 -0.476889 -6.37117 270.286 -4.26563 # jumping subtree containing (T0187)T406 jump= 0.608805 0.410416 0.383355 0.560316 -150.554 174.423 9.61585 # jumping subtree containing (T0187)P356 jump= -0.879138 0.40963 0.0478552 -0.238808 91.0273 -28.7375 110.464 # generation 107: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9744 cost/residue, 261 clashes 0.0642984 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 361 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1342 ## OptSubtree 1034 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P356 jump= -0.337888 0.412622 0.364398 -0.763406 55.7549 270.387 132.41 # jumping subtree containing (T0187)S395 jump= -0.978867 0.196201 0.0444367 0.0367356 -3.54629 -67.6124 83.8345 # jumping subtree containing (T0187)G405 jump= -0.316971 -0.445379 -0.78058 -0.303086 -235.82 102.593 91.8117 # jumping subtree containing (T0187)G405 jump= -0.99968 0.00555965 -0.0143052 0.0200898 -12.0108 -6.98342 -18.104 # jumping subtree containing (T0187)G414 jump= 0.546216 0.663413 -0.17595 -0.48018 63.6478 180.66 12.2253 # jumping subtree containing (T0187)G414 jump= 0.569614 0.257399 -0.409228 0.664694 22.2435 278.977 136.178 # jumping subtree containing (T0187)P356 jump= 0.156272 0.728079 -0.539717 0.392665 -14.9541 178.651 307.766 # jumping subtree containing (T0187)H316 jump= -0.227344 -0.495009 -0.759602 -0.355365 -263 75.9298 157.477 # jumping subtree containing (T0187)P356 jump= -0.128259 0.581223 0.631235 -0.497265 -31.9592 233.463 278.974 # generation 108: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9744 cost/residue, 261 clashes 0.0642973 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 363 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1353 ## OptSubtree 1045 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= 0.18339 -0.101498 0.658893 0.722445 -80.1254 5.79611 -25.3316 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)L337 jump= 0.0392374 0.700316 0.0363633 -0.711825 62.0275 261.708 61.2887 # jumping subtree containing (T0187)G414 jump= -0.992634 -0.109592 0.00281992 0.0515762 13.63 32.6642 -12.8062 # jumping subtree containing (T0187)I335 jump= -0.999473 0.012386 -0.000250751 0.0299977 -0.103905 9.63479 13.0714 # generation 109: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9744 cost/residue, 261 clashes 0.0642973 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 370 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1363 ## OptSubtree 1052 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T406 jump= 0.963685 -0.254501 -0.0619311 -0.0520032 6.24696 -46.8468 94.2984 # jumping subtree containing (T0187)L337 jump= -0.505544 0.626988 -0.182882 -0.563796 99.7825 57.611 92.0484 # jumping subtree containing (T0187)G310 jump= -0.818182 0.370889 -0.414969 -0.144293 -42.3984 -81.4132 131.712 # Removing break before 113 # jumping subtree containing (T0187)G414 jump= 0.335006 -0.265651 -0.269538 -0.862873 -256.641 72.5823 51.2159 # jumping subtree containing (T0187)I340 jump= 0.610658 -0.444892 -0.652829 -0.0546139 -9.39795 1.05757 313.148 # jumping subtree containing (T0187)G414 jump= -0.0233836 -0.253633 0.966592 0.0287075 -72.5816 -12.2521 263.865 # jumping subtree containing (T0187)T406 jump= 0.785648 0.360364 0.156543 -0.477901 -102.141 133.17 -18.5565 # jumping subtree containing (T0187)G414 jump= -0.188788 0.664242 -0.37433 0.618884 -172.506 158.906 268.374 # jumping subtree containing (T0187)G324 jump= 0.667606 0.182396 -0.71789 -0.0752812 115.738 -13.9315 182.46 # generation 110: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9744 cost/residue, 261 clashes 0.0642973 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 377 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1374 ## OptSubtree 1058 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= 0.999243 -0.0285484 -0.0119815 0.0235514 -0.848847 -19.7078 -10.6934 # jumping subtree containing (T0187)G414 jump= 0.747921 0.184935 0.406549 -0.49105 -216.098 126.954 21.7632 # jumping subtree containing (T0187)T406 jump= -0.959666 0.132814 -0.241611 -0.0550092 -44.3442 -46.9503 16.061 # generation 111: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9744 cost/residue, 261 clashes 0.0642973 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 383 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1384 ## OptSubtree 1066 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P356 jump= 0.184268 0.616957 0.459494 0.61178 -274.973 155.499 161.007 # jumping subtree containing (T0187)L301 jump= -0.893045 0.141982 -0.418623 -0.0840548 -83.3042 -46.9882 48.1551 # generation 112: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9743 cost/residue, 261 clashes 0.0642982 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 391 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1394 ## OptSubtree 1072 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G414 jump= -0.999986 0.00513943 -0.00137816 0.000828671 -11.1292 -5.64896 1.74109 # jumping subtree containing (T0187)G310 jump= -0.99595 0.0432503 0.064078 0.0459034 6.08462 -36.9366 36.7536 # jumping subtree containing (T0187)P356 jump= -0.380131 -0.00967075 0.110374 0.918273 -164.146 106.82 -29.9919 # jumping subtree containing (T0187)P356 jump= 0.34265 0.898761 -0.154115 -0.225984 53.8036 237.258 140.639 # jumping subtree containing (T0187)G339 jump= 0.750493 -0.552432 -0.301352 -0.201907 -59.1671 -47.8066 255.045 # jumping subtree containing (T0187)L301 jump= -0.152045 0.0144588 0.340579 0.927728 -133.516 90.2517 -11.6068 # Removing break moved up 3 to before 94 # generation 113: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9743 cost/residue, 261 clashes 0.0642982 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 395 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1401 ## OptSubtree 1085 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q327 jump= 0.609749 -0.0492958 -0.018551 -0.790843 -178.641 90.3332 -5.19078 # jumping subtree containing (T0187)L337 jump= -0.910295 0.27076 0.192182 -0.247219 118.11 11.918 101.513 # jumping subtree containing (T0187)G324 jump= 0.764404 0.158357 0.321366 0.536036 -15.2547 98.6116 -56.9228 # jumping subtree containing (T0187)I335 jump= -0.113147 -0.363286 -0.800751 0.462622 -142.555 250.286 322.297 # jumping subtree containing (T0187)T406 jump= 0.98539 0.0475706 -0.0242344 0.161728 46.4162 27.5723 4.305 # jumping subtree containing (T0187)L301 jump= 0.39798 -0.85803 -0.320018 0.054636 -29.9167 112.044 344.284 # generation 114: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.974 cost/residue, 261 clashes 0.0642981 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 403 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1406 ## OptSubtree 1096 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T406 jump= -0.998176 -0.00206926 -0.029024 0.0528957 -5.99627 -5.29576 -21.9562 # jumping subtree containing (T0187)G376 jump= -0.515109 0.730421 0.447378 -0.0316328 -29.5977 82.2221 365.869 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)P356 jump= 0.935329 0.198583 -0.276639 0.0958912 108.536 63.5784 33.107 # jumping subtree containing (T0187)D351 jump= 0.653423 -0.639609 0.0307433 -0.403724 -152.009 12.959 275.568 # jumping subtree containing (T0187)G414 jump= -0.940533 -0.0900868 -0.316617 0.0838836 -125.863 -0.20467 -33.3497 # jumping subtree containing (T0187)P356 jump= -0.825628 -0.486259 -0.13826 0.250549 -74.8561 161.926 -10.0516 # jumping subtree containing (T0187)T406 jump= -0.511875 -0.247733 -0.820058 -0.0641643 -231.101 38.085 155.996 # generation 115: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.974 cost/residue, 261 clashes 0.0642981 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 415 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 1408 ## OptSubtree 1106 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G414 jump= 0.980148 -0.0189265 -0.0049214 0.197301 34.459 28.1947 31.8289 # Removing break before 113 # Removing break before 113 # jumping subtree containing (T0187)G414 jump= -0.90945 -0.1385 0.209539 -0.331379 97.1563 98.4991 31.3149 # generation 116: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9476 cost/residue, 264 clashes 0.0436383 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 427 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1409 ## OptSubtree 1116 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T406 jump= 0.102601 0.225876 -0.964821 -0.0870252 -0.0453887 -39.9241 285.992 # jumping subtree containing (T0187)P356 jump= -0.565024 -0.454089 0.573623 -0.381455 97.8931 229.226 202.719 # jumping subtree containing (T0187)G376 jump= -0.632593 0.599295 0.280834 -0.402249 147.475 81.2388 248.825 # jumping subtree containing (T0187)G376 jump= -0.944527 0.116754 0.00691967 0.306904 -102.215 -55.8924 48.9976 # jumping subtree containing (T0187)L301 jump= 0.531168 0.388784 0.409081 0.631949 -146.213 207.062 -11.6943 # jumping subtree containing (T0187)T406 jump= 0.0452461 0.576628 0.0286435 -0.81525 62.7485 256.141 66.8583 # generation 117: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9476 cost/residue, 264 clashes 0.0436383 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 431 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1417 ## OptSubtree 1129 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P356 jump= 0.978662 0.0874488 0.159134 0.0961796 -53.5342 45.6672 -65.4448 # jumping subtree containing (T0187)P356 jump= -0.207074 0.580372 -0.664133 0.423339 -131.196 83.9004 335.005 # jumping subtree containing (T0187)G376 jump= 0.850973 -0.216136 -0.378215 -0.2934 -18.0382 -96.5279 130.287 # jumping subtree containing (T0187)L301 jump= 0.972708 0.211145 -0.0641534 -0.071701 -10.2886 62.662 -56.1131 # jumping subtree containing (T0187)P356 jump= -0.9973 -0.0675346 0.018332 0.022243 -18.8639 25.9365 4.12666 # jumping subtree containing (T0187)L337 jump= -0.97108 -0.124492 0.023016 -0.202427 65.9998 89.4333 -20.0681 # jumping subtree containing (T0187)G324 jump= -0.619034 -0.373151 -0.205821 0.659692 -128.333 243.8 -24.0989 # generation 118: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9475 cost/residue, 264 clashes 0.0436386 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 433 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1435 ## OptSubtree 1144 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= 0.497248 0.52175 0.691724 -0.0451573 -234.735 173.061 137.324 # jumping subtree containing (T0187)G324 jump= 0.881382 -0.176742 -0.39907 0.180749 125.479 -8.69531 172.672 # jumping subtree containing (T0187)P356 jump= 0.99498 0.037993 0.0904059 0.0199542 -28.9852 18.0017 -0.98066 # jumping subtree containing (T0187)G376 jump= 0.0253338 0.795104 0.604213 -0.0457645 -155.306 216.259 306.715 # jumping subtree containing (T0187)L337 jump= 0.670897 0.544919 0.389772 -0.317866 -168.932 263.204 40.1182 # jumping subtree containing (T0187)D351 jump= -0.97075 -0.141751 0.19064 0.0347581 40.3506 50.9637 -17.4493 # jumping subtree containing (T0187)G376 jump= 0.721369 0.288297 0.519728 0.355519 -166.343 112.214 -49.7806 # Removing break moved up 3 to before 94 # generation 119: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9473 cost/residue, 264 clashes 0.0436386 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 436 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1448 ## OptSubtree 1152 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G376 jump= 0.366806 -0.272827 0.519112 -0.722178 -270.673 159.283 240.211 # jumping subtree containing (T0187)G405 jump= 0.957712 -0.112295 -0.264593 0.0129676 91.4076 -32.9069 75.1355 # jumping subtree containing (T0187)G405 jump= -0.960042 -0.0975786 -0.0734601 -0.251798 18.9558 61.8837 -19.455 # jumping subtree containing (T0187)G376 jump= -0.849769 -0.407668 -0.0148042 0.333886 -38.0078 157.772 -57.9116 # jumping subtree containing (T0187)G376 jump= -0.391981 -0.490649 0.753198 -0.19572 76.2933 141.056 313.803 # jumping subtree containing (T0187)Y389 jump= 0.019224 0.479503 -0.81708 0.319511 1.81197 124.174 334.154 # jumping subtree containing (T0187)P356 jump= 0.0215255 0.638507 0.501048 -0.583777 -15.8253 303.017 200.56 # jumping subtree containing (T0187)L392 jump= -0.876961 0.143803 0.362675 -0.280584 119.252 54.4691 138.904 # jumping subtree containing (T0187)L392 jump= 0.423894 -0.163528 0.353935 0.817498 40.5087 82.1011 -43.7096 # generation 120: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9472 cost/residue, 264 clashes 0.0436384 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 439 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1460 ## OptSubtree 1161 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)Q381 jump= -0.971228 0.216509 -0.0315587 -0.0940421 12.6547 -52.2073 30.0058 # jumping subtree containing (T0187)I335 jump= 0.617596 0.503956 -0.463988 -0.386418 121.157 66.5859 42.9712 # jumping subtree containing (T0187)L301 jump= 0.0717031 -0.950356 0.233638 -0.192603 -3.49598 185.884 305.002 # generation 121: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9472 cost/residue, 264 clashes 0.0436384 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 441 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1466 ## OptSubtree 1177 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= 0.291741 0.481911 0.10055 -0.820084 -46.1034 321.975 0.540182 # jumping subtree containing (T0187)G405 jump= 0.121145 0.829053 -0.46119 0.292061 5.05947 219.588 290.842 # jumping subtree containing (T0187)G376 jump= -0.06997 -0.948825 0.23766 0.195837 91.13 195.525 246.498 # jumping subtree containing (T0187)P356 jump= -0.981985 -0.159074 0.0974696 -0.0300052 46.3455 65.3628 2.94933 # jumping subtree containing (T0187)G405 jump= -0.834626 -0.239961 -0.218137 0.445235 -151.88 108.898 -41.8592 # jumping subtree containing (T0187)G405 jump= 0.950592 0.177409 -0.129832 -0.219191 -4.01268 24.7998 -39.2399 # jumping subtree containing (T0187)G376 jump= -0.682443 0.12375 -0.57943 -0.42804 -77.4504 -24.8936 7.2791 # jumping subtree containing (T0187)G376 jump= -0.999813 -0.0189524 0.000911364 0.00369152 -13.8183 -14.6955 -14.3731 # jumping subtree containing (T0187)Q381 jump= 0.970105 -0.122871 0.181553 -0.104101 -108.045 -44.5656 38.6514 # generation 122: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9472 cost/residue, 264 clashes 0.0436384 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 450 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1472 ## OptSubtree 1186 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L392 jump= 0.500573 0.0670197 -0.208963 0.837418 47.0719 274.46 58.0924 # jumping subtree containing (T0187)L301 jump= 0.202978 -0.533951 -0.648135 -0.503604 -213.103 41.7591 181.347 # jumping subtree containing (T0187)G376 jump= -0.695955 -0.537159 0.387218 0.277794 90.9346 138.55 11.2746 # jumping subtree containing (T0187)G405 jump= -0.437151 -0.891261 0.0553558 0.107185 35.9295 276.258 149.748 # jumping subtree containing (T0187)G405 jump= -0.718109 -0.416732 0.450306 0.328448 100.902 32.9757 35.2448 # generation 123: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9472 cost/residue, 264 clashes 0.0436384 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 453 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1480 ## OptSubtree 1199 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)A333 jump= 0.425033 0.394962 -0.636771 -0.507814 57.5587 7.51414 66.7472 # jumping subtree containing (T0187)G405 jump= -0.528629 0.501868 -0.0618315 0.681804 -239.944 60.376 187.155 # jumping subtree containing (T0187)G405 jump= -0.718705 -0.621772 -0.232202 0.207233 -73.9793 232.095 17.9117 # jumping subtree containing (T0187)G324 jump= 0.812671 0.430171 -0.36163 -0.154088 93.6489 98.6861 42.5764 # jumping subtree containing (T0187)L392 jump= -0.640197 0.478799 -0.533678 -0.27584 -1.45752 -62.9277 127.253 # jumping subtree containing (T0187)I335 jump= 0.12766 0.39906 0.351679 0.837124 -221.063 193.983 22.7264 # jumping subtree containing (T0187)I335 jump= -0.945924 -0.260566 0.0202333 -0.192157 38.1949 99.4764 -29.5108 # jumping subtree containing (T0187)A333 jump= 0.157187 0.821243 0.408506 0.366026 -199.053 272.489 216.634 # jumping subtree containing (T0187)L301 jump= 0.198378 -0.840466 0.402432 0.303827 117.77 113.331 221.838 # generation 124: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9471 cost/residue, 264 clashes 0.043639 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 460 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1485 ## OptSubtree 1211 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I340 jump= 0.267494 0.655296 -0.519823 -0.478349 94.8066 78.5736 62.4094 # jumping subtree containing (T0187)G405 jump= 0.808196 0.29136 0.488073 -0.153991 -196.393 116.203 30.6811 # jumping subtree containing (T0187)G376 jump= -0.982481 0.0191465 0.161325 0.0913123 -5.59661 -20.8083 40.8916 # jumping subtree containing (T0187)G376 jump= 0.999986 0.000565574 0.00440613 0.00285976 23.7821 4.56249 -10.0582 # jumping subtree containing (T0187)G405 jump= 0.145271 -0.896379 0.377861 -0.180615 -11.4059 129.348 311.507 # jumping subtree containing (T0187)G324 jump= 0.00389168 -0.0684586 -0.0212777 -0.997419 -128.507 232.933 -9.59105 # jumping subtree containing (T0187)D351 jump= -0.43251 0.790052 -0.396917 -0.176665 52.2817 -29.5814 294.079 # jumping subtree containing (T0187)M375 jump= 0.266559 0.391488 0.37523 0.796797 -208.709 194.187 29.6411 # generation 125: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9471 cost/residue, 264 clashes 0.043639 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 464 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1491 ## OptSubtree 1225 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G376 jump= -0.959542 0.0526992 -0.242481 -0.133059 -37.9186 9.07437 -35.0779 # jumping subtree containing (T0187)I335 jump= 0.181737 0.807656 0.536628 0.163384 -204.164 270.293 220.671 # jumping subtree containing (T0187)G405 jump= -0.149552 0.97472 -0.081991 -0.144337 70.7791 163.564 287.023 # jumping subtree containing (T0187)G376 jump= -0.714538 -0.46522 -0.13222 0.505494 -109.104 213.862 -58.6009 # jumping subtree containing (T0187)G405 jump= -0.995758 -0.0392532 0.0671089 0.0492177 1.63694 -1.8726 24.2555 # jumping subtree containing (T0187)G405 jump= -0.375797 -0.925454 0.0228321 -0.0423173 -21.8295 317.053 183.666 # jumping subtree containing (T0187)P356 jump= -0.967488 -0.103169 0.18149 0.142775 31.0965 24.1346 -6.90242 # jumping subtree containing (T0187)G310 jump= -0.953786 0.281459 -0.0150692 -0.104143 53.1145 -28.8023 97.9713 # jumping subtree containing (T0187)D351 jump= 0.701329 -0.654888 0.27923 -0.0359076 -61.2325 -75.2004 287.006 # jumping subtree containing (T0187)G376 jump= -0.870008 -0.381564 -0.201503 0.238518 -107.845 137 -67.1286 # jumping subtree containing (T0187)L301 jump= 0.354309 -0.924762 0.0853802 0.109497 36.2756 107.773 303.247 # generation 126: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9469 cost/residue, 264 clashes 0.0436385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 474 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1491 ## OptSubtree 1239 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G376 jump= -0.703367 0.382396 -0.52755 0.284148 -204.013 -50.6179 187.837 # jumping subtree containing (T0187)P356 jump= 0.112671 -0.637504 -0.126435 -0.751603 -261.099 182.878 193.287 # jumping subtree containing (T0187)G376 jump= -0.473732 -0.148371 0.192305 0.846512 -131.694 81.9222 -42.3081 # jumping subtree containing (T0187)I340 jump= 0.514198 0.723411 -0.452564 0.0863863 143.014 227.101 160.891 # jumping subtree containing (T0187)G405 jump= -0.802981 -0.00908062 -0.559229 -0.205917 -155.855 1.80767 9.92441 # jumping subtree containing (T0187)L337 jump= -0.508599 0.164963 0.332838 0.776746 -198.446 -1.70589 37.6694 # generation 127: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9469 cost/residue, 264 clashes 0.0436385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 481 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1491 ## OptSubtree 1256 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= 0.846686 -0.354033 -0.364637 -0.157551 -35.4311 -54.0112 199.672 # jumping subtree containing (T0187)G376 jump= 0.989549 -0.0762329 0.111512 0.0504536 -11.2488 -38.469 16.7047 # jumping subtree containing (T0187)G376 jump= -0.869132 0.492365 -0.0467379 -0.00118692 2.18935 -88.7227 174.083 # jumping subtree containing (T0187)G405 jump= -0.999919 0.0102247 -0.00752112 0.000897422 5.36101 -27.8668 -4.44223 # jumping subtree containing (T0187)D351 jump= -0.978724 0.150242 0.112734 -0.0825701 33.4259 -43.0675 64.1441 # jumping subtree containing (T0187)L337 jump= -0.270048 -0.53826 0.639648 -0.477703 5.32128 248.134 319.123 # jumping subtree containing (T0187)G405 jump= 0.832615 0.28382 0.0110642 0.475474 29.5951 186.533 -28.9657 # jumping subtree containing (T0187)G376 jump= 0.550572 0.06114 -0.787375 0.270506 90.3137 83.0296 309.245 # jumping subtree containing (T0187)L337 jump= 0.143224 -0.615705 -0.43387 0.64199 5.38555 309.564 211.005 # jumping subtree containing (T0187)G376 jump= -0.466733 0.17721 -0.808732 0.31098 -244.818 41.4789 269.344 # generation 128: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.946 cost/residue, 264 clashes 0.0436386 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 486 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1491 ## OptSubtree 1278 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= -0.630073 0.406533 -0.445016 -0.489591 55.9193 -38.171 71.6121 # jumping subtree containing (T0187)I335 jump= -0.829427 0.106893 -0.54573 -0.0529394 -152.67 -35.7198 39.3131 # jumping subtree containing (T0187)L301 jump= -0.897081 -0.0559621 0.347561 -0.26705 114.746 61.6975 78.3712 # jumping subtree containing (T0187)D351 jump= 0.224737 0.1157 -0.162156 0.953841 -62.5691 301.208 69.9422 # jumping subtree containing (T0187)I340 jump= 0.980291 0.0264559 -0.193025 0.0327201 50.4128 12.1641 37.997 # Removing break before 75 # generation 129: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.946 cost/residue, 264 clashes 0.0436386 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 494 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1492 ## OptSubtree 1293 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.456437 -0.677899 0.0243331 0.575783 45.5545 240.094 20.5991 # jumping subtree containing (T0187)L301 jump= 0.22643 -0.328801 0.285129 -0.87139 -229.669 253.83 165.741 # jumping subtree containing (T0187)G405 jump= 0.990282 0.082707 0.0392441 -0.104692 -12.6479 9.17802 -14.4934 # jumping subtree containing (T0187)G376 jump= 0.0572604 0.141573 0.711006 0.686403 -177.35 -3.04518 47.7138 # generation 130: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.946 cost/residue, 264 clashes 0.0436386 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 503 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1493 ## OptSubtree 1307 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.335062 0.00583596 -0.597129 0.728791 -10.7223 285.071 230.342 # jumping subtree containing (T0187)G405 jump= 0.957509 0.070302 -0.0517409 -0.274877 -42.4784 29.9972 -2.84373 # jumping subtree containing (T0187)G405 jump= 0.18911 0.570997 0.621066 0.502472 -253.386 119.28 144.377 # jumping subtree containing (T0187)G376 jump= 0.928426 -0.230534 -0.0863033 0.278263 111.55 12.1691 58.4436 # jumping subtree containing (T0187)S367 jump= -0.96312 0.254122 0.0787523 0.0402518 -9.33297 -73.2495 112.452 # jumping subtree containing (T0187)L337 jump= -0.33778 -0.557512 0.569415 0.500851 108.5 67.4749 24.6511 # generation 131: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9459 cost/residue, 264 clashes 0.0436387 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 510 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1496 ## OptSubtree 1321 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= -0.792665 0.0761669 0.416523 -0.438623 143.968 156.987 141.72 # jumping subtree containing (T0187)G405 jump= -0.272165 -0.839423 0.3245 0.34058 117.444 167.016 133.49 # jumping subtree containing (T0187)G405 jump= 0.347134 -0.252344 0.566447 0.703532 2.82944 1.95912 -24.983 # jumping subtree containing (T0187)L301 jump= -0.423134 0.389042 0.594201 0.562609 -198.252 -27.5989 178.643 # jumping subtree containing (T0187)K302 jump= -0.612654 0.315372 0.567215 -0.451068 112.465 164.588 249.066 # jumping subtree containing (T0187)G376 jump= 0.542195 -0.733713 0.370772 -0.173831 -63.7496 -6.25632 348.837 # jumping subtree containing (T0187)G405 jump= -0.976764 -0.044883 -0.0414307 0.20543 -82.0394 1.46547 -22.5083 # generation 132: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9459 cost/residue, 264 clashes 0.0436387 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 520 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1496 ## OptSubtree 1335 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= 0.968462 -0.131805 -0.0852413 -0.193503 -36.6494 -59.4864 65.5943 # jumping subtree containing (T0187)G376 jump= -0.310105 -0.830128 0.211001 -0.412554 -43.0593 317.639 245.876 # jumping subtree containing (T0187)G376 jump= -0.742804 -0.153014 -0.6228 -0.192219 -185.539 52.4095 -10.2857 # jumping subtree containing (T0187)L392 jump= 0.0679847 -0.775153 -0.54338 -0.315046 -231.578 151.176 322.533 # jumping subtree containing (T0187)L392 jump= 0.606036 0.513997 0.177976 -0.58039 -91.6546 219.031 -29.894 # jumping subtree containing (T0187)D351 jump= 0.279107 0.222371 -0.361836 0.861235 -48.2532 336.722 145.286 # jumping subtree containing (T0187)G414 jump= -0.287559 0.401869 -0.864815 -0.0889137 -75.8887 -44.6182 258.858 # jumping subtree containing (T0187)A333 jump= -0.117204 0.180629 0.889834 -0.402284 -88.8564 169.949 381.584 # jumping subtree containing (T0187)T350 jump= 0.555005 -0.521057 -0.533761 0.368195 90.9347 120.108 332.176 # generation 133: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.9459 cost/residue, 264 clashes 0.0436387 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 529 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1496 ## OptSubtree 1350 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.977403 0.206625 -0.0144096 -0.0422025 13.2741 79.5557 -42.4513 # jumping subtree containing (T0187)A333 jump= -0.998198 -0.0534596 -0.0259213 0.00845978 -18.8421 13.7831 -30.6287 # jumping subtree containing (T0187)A330 jump= -0.775582 0.5571 0.0382537 0.294361 -121.496 -42.8873 201.018 # jumping subtree containing (T0187)G376 jump= 0.337764 0.531705 -0.756948 -0.173885 124.03 35.8619 180.089 # generation 134: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.55 cost/residue, 270 clashes 0.0436386 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 51 ## TwoFragment 12 ## CrossOver 535 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1496 ## OptSubtree 1367 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= -0.988312 0.0143734 0.0551506 0.141387 -55.0591 -18.0443 6.7593 # jumping subtree containing (T0187)I340 jump= 0.5252 0.179472 0.70265 0.445239 -200.157 62.0485 7.8827 # jumping subtree containing (T0187)P356 jump= -0.0435706 -0.606161 0.24419 -0.755673 -215.063 258.454 237.592 # jumping subtree containing (T0187)G310 jump= 0.723577 -0.611325 0.257232 0.19118 41.4069 -41.4442 207.618 # jumping subtree containing (T0187)D351 jump= -0.593986 0.551238 -0.509837 0.288761 -174.3 -39.1387 276.591 # generation 135: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.55 cost/residue, 270 clashes 0.0436386 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 51 ## TwoFragment 12 ## CrossOver 538 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1501 ## OptSubtree 1387 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.794668 -0.123165 0.507713 -0.309129 132.775 136.487 160.46 # jumping subtree containing (T0187)L301 jump= -0.901556 -0.295331 -0.180427 -0.25966 -22.5647 133.406 -42.6305 # jumping subtree containing (T0187)G376 jump= 0.615082 -0.439012 -0.611428 0.23473 32.6713 52.7186 286.821 # jumping subtree containing (T0187)T313 jump= 0.694847 -0.626382 0.327429 0.132752 28.5027 -16.9349 219.05 # jumping subtree containing (T0187)D351 jump= -0.161856 -0.116739 0.713504 -0.67163 -59.3677 277.008 293.428 # jumping subtree containing (T0187)L301 jump= 0.784599 -0.155534 0.60017 -0.00307237 -173.195 -22.0336 69.4137 # jumping subtree containing (T0187)L337 jump= -0.451865 -0.483783 0.493785 0.563869 56.7212 78.8908 -20.3788 # jumping subtree containing (T0187)G376 jump= 0.996413 -0.0764864 0.0319488 0.0170639 -12.7867 -17.8018 16.2702 # Removing break before 75 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)A333 jump= 0.866506 0.254132 -0.283287 -0.323005 37.6865 48.6339 -30.5256 # jumping subtree containing (T0187)G355 jump= 0.502823 0.0845177 -0.494182 0.704138 56.636 263.704 197.087 # generation 136: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.5499 cost/residue, 270 clashes 0.0436386 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 51 ## TwoFragment 12 ## CrossOver 541 ## CrossAndInsert 42 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1516 ## OptSubtree 1404 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A333 jump= -0.584474 -0.0711888 -0.595812 -0.546197 -121.371 62.1956 -38.1901 # jumping subtree containing (T0187)D351 jump= 0.576923 0.70145 -0.0326454 -0.417207 42.8014 252.235 56.4359 # jumping subtree containing (T0187)G376 jump= 0.687184 0.632838 0.155521 0.321105 -53.0418 249.847 -0.168875 # jumping subtree containing (T0187)G405 jump= 0.865257 -0.26496 -0.370705 -0.209058 -0.212696 -80.1977 141.875 # generation 137: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.286 cost/residue, 273 clashes 0.0549681 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 51 ## TwoFragment 12 ## CrossOver 542 ## CrossAndInsert 42 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1521 ## OptSubtree 1421 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D351 jump= 0.970453 -0.0275772 0.23959 0.00761183 -89.9757 16.3614 4.8095 # Removing break before 75 # jumping subtree containing (T0187)G405 jump= -0.737671 -0.193182 0.137369 0.632181 -61.354 65.7183 -29.0442 # jumping subtree containing (T0187)G376 jump= -0.146082 -0.778175 -0.61036 -0.0237452 -215.448 260.552 263.547 # jumping subtree containing (T0187)G405 jump= -0.792965 0.480703 -0.339684 -0.157307 8.4489 -43.7566 117.963 # jumping subtree containing (T0187)I335 jump= 0.387127 0.591255 0.0694287 -0.704081 -11.2288 264.871 -14.0992 # jumping subtree containing (T0187)G405 jump= 0.74618 0.0282716 -0.242255 0.619459 113.308 178.342 91.3548 # jumping subtree containing (T0187)A333 jump= 0.998712 0.0139928 0.00319475 -0.0486556 -7.85158 -11.1071 -2.50462 # jumping subtree containing (T0187)G376 jump= -0.969969 0.0495196 0.220232 -0.0905922 68.3326 -1.6897 74.5024 # jumping subtree containing (T0187)D351 jump= 0.661049 -0.259149 -0.70107 0.0660009 1.03401 6.83729 289.948 # generation 138: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2857 cost/residue, 273 clashes 0.0549692 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 51 ## TwoFragment 12 ## CrossOver 545 ## CrossAndInsert 42 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1530 ## OptSubtree 1433 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 75 # jumping subtree containing (T0187)G376 jump= 0.873562 -0.104858 -0.353635 0.317546 116.743 37.3146 101.77 # jumping subtree containing (T0187)G405 jump= 0.359335 -0.516805 -0.512842 0.583767 39.5426 275.044 267.449 # jumping subtree containing (T0187)G376 jump= -0.682633 0.524431 0.502859 0.0782141 -43.6756 -26.209 269.498 # jumping subtree containing (T0187)A334 jump= 0.344612 0.723156 0.389621 -0.454405 -98.7131 365.372 105.859 # jumping subtree containing (T0187)G323 jump= 0.815551 -0.304927 -0.0194304 -0.491446 -165.04 -18.192 105.005 # jumping subtree containing (T0187)T313 jump= 0.819441 -0.3656 0.241729 0.36935 74.5786 -28.7528 61.0418 # jumping subtree containing (T0187)D351 jump= 0.951743 -0.206031 0.213386 0.0787615 -41.4791 -51.9372 61.0516 # jumping subtree containing (T0187)K370 jump= -0.262201 -0.621265 -0.73639 -0.0548708 -256.02 198.969 176.113 # generation 139: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2851 cost/residue, 273 clashes 0.0549695 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 51 ## TwoFragment 12 ## CrossOver 549 ## CrossAndInsert 42 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1545 ## OptSubtree 1451 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.537546 -0.00114926 -0.374497 -0.75551 -40.1676 118.705 -55.653 # jumping subtree containing (T0187)G376 jump= 0.0427344 -0.0315649 -0.79367 0.606024 -110.355 232.88 298.067 # jumping subtree containing (T0187)G414 jump= -0.439237 0.573477 0.492779 -0.485143 94.8711 193.49 267.968 # jumping subtree containing (T0187)G324 jump= 0.518319 0.393094 0.63236 -0.420647 -260.046 274.003 130.887 # jumping subtree containing (T0187)G376 jump= -0.138393 0.0424399 -0.459389 0.876361 -231.709 291.29 177.505 # jumping subtree containing (T0187)G405 jump= -0.250685 -0.154589 0.0100612 -0.955593 -161.836 259.21 28.6953 # jumping subtree containing (T0187)G376 jump= 0.267296 -0.946257 0.179589 0.0299746 50.7824 107.869 327.47 # generation 140: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2851 cost/residue, 273 clashes 0.0549695 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 555 ## CrossAndInsert 42 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1549 ## OptSubtree 1465 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G376 jump= 0.0470456 0.0442257 -0.483372 -0.873031 -96.5069 53.5575 -56.7325 # jumping subtree containing (T0187)L392 jump= 0.331798 0.60536 0.346506 0.635124 -226.229 241.466 92.9268 # jumping subtree containing (T0187)A333 jump= 0.464073 -0.536868 -0.579281 0.401051 37.7532 188.676 326.145 # jumping subtree containing (T0187)G405 jump= -0.680711 0.471741 -0.492671 -0.267149 -36.819 -62.6653 90.3735 # jumping subtree containing (T0187)L301 jump= 0.544423 0.0551765 0.802875 -0.23654 -309.111 49.538 167.664 # jumping subtree containing (T0187)L337 jump= 0.957138 -0.108795 -0.189416 -0.190188 -8.95772 -76.2215 60.421 # jumping subtree containing (T0187)L392 jump= -0.506445 0.80391 0.306418 0.0578787 -56.4846 83.4535 314.967 # jumping subtree containing (T0187)L301 jump= -0.745862 -0.662451 -0.0660671 0.0219904 -33.6116 278.746 -8.47557 # generation 141: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2851 cost/residue, 273 clashes 0.0549688 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 563 ## CrossAndInsert 42 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1554 ## OptSubtree 1476 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D351 jump= -0.19362 -0.820721 0.198772 -0.499418 -116.707 297.431 301.684 # jumping subtree containing (T0187)G414 jump= 0.758461 -0.551755 -0.136454 0.318878 121.234 38.6762 219.214 # jumping subtree containing (T0187)G414 jump= -0.516021 0.377148 -0.590329 -0.492943 22.0126 -60.2112 65.795 # jumping subtree containing (T0187)G376 jump= 0.979035 0.075038 -0.0941675 0.164296 77.2634 50.1018 -4.87976 # jumping subtree containing (T0187)G405 jump= 0.235757 0.632132 0.56097 0.479728 -265.899 229.84 101.718 # jumping subtree containing (T0187)L301 jump= 0.475092 0.694946 -0.539645 0.0110174 106.758 166.214 157.067 # generation 142: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2847 cost/residue, 274 clashes 0.0549695 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 574 ## CrossAndInsert 42 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1556 ## OptSubtree 1487 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G414 jump= -0.990217 0.0556656 -0.127947 -0.00125436 -11.3424 -4.60528 17.7073 # jumping subtree containing (T0187)G414 jump= -0.985416 -0.0364595 -0.149367 0.0729045 -77.2272 -12.6056 -9.10717 # jumping subtree containing (T0187)L337 jump= -0.862151 0.420764 0.243739 0.142281 -15.726 -56.8343 213.435 # jumping subtree containing (T0187)G405 jump= 0.826766 0.0363297 -0.0311583 -0.560506 -138.543 41.8747 -12.6329 # jumping subtree containing (T0187)I335 jump= -0.960073 -0.268293 0.0159878 -0.0776119 32.4332 132.733 -37.9968 # jumping subtree containing (T0187)E312 jump= 0.766167 0.0825837 -0.586454 0.24948 134.252 118.198 193.184 # jumping subtree containing (T0187)L392 jump= 0.312095 -0.46555 -0.686932 0.462585 -18.5495 226.79 315.361 # jumping subtree containing (T0187)G405 jump= -0.761048 -0.42849 -0.26953 0.405654 -152.275 174.643 -52.2787 # generation 143: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2847 cost/residue, 274 clashes 0.0549695 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 582 ## CrossAndInsert 42 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1556 ## OptSubtree 1503 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G414 jump= -0.755777 0.365024 0.164415 0.518195 -189.144 -69.4005 149.636 # jumping subtree containing (T0187)G414 jump= 0.815418 0.567934 -0.0642583 0.091737 11.5827 238.765 51.6856 # generation 144: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2847 cost/residue, 274 clashes 0.0549695 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 588 ## CrossAndInsert 42 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1556 ## OptSubtree 1521 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L392 jump= 0.0552375 -0.698777 0.695719 -0.156958 10.6532 76.7426 340.401 # jumping subtree containing (T0187)G376 jump= -0.434176 0.767175 0.228496 0.413186 -169.37 74.5288 282.844 # jumping subtree containing (T0187)G414 jump= 0.761939 0.141477 -0.505898 0.378815 124.248 144.639 142.403 # jumping subtree containing (T0187)L392 jump= -0.738173 -0.438952 -0.247759 0.448371 -153.852 202.964 -59.8884 # jumping subtree containing (T0187)G414 jump= -0.688929 0.604387 0.287975 0.277783 -107.319 -17.0544 247.543 # jumping subtree containing (T0187)G414 jump= 0.827646 -0.114213 0.272093 -0.477412 -215.501 10.8246 74.346 # jumping subtree containing (T0187)G376 jump= 0.538852 0.663875 0.512934 0.0762057 -197.948 274.671 66.5828 # jumping subtree containing (T0187)V364 jump= 0.975637 0.1477 0.132128 0.0941237 -49.1486 52.2345 -47.076 # generation 145: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2847 cost/residue, 274 clashes 0.0549696 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 602 ## CrossAndInsert 42 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1556 ## OptSubtree 1531 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L392 jump= -0.142825 -0.0619716 0.782675 0.602645 -90.4569 -63.0737 44.8581 # jumping subtree containing (T0187)G405 jump= 0.971944 0.172554 0.0858856 -0.134808 -54.7878 38.8664 -56.2167 # jumping subtree containing (T0187)L392 jump= -0.135531 0.129461 0.931155 0.312765 -134.498 -52.3482 191.378 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)A333 jump= -0.135116 -0.874497 0.465289 0.0224526 116.521 165.918 300.906 # jumping subtree containing (T0187)L392 jump= 0.166943 0.493217 -0.0752655 -0.850413 -15.8397 249.347 -43.598 # jumping subtree containing (T0187)L372 jump= 0.707546 -0.4786 -0.519862 -0.0080635 6.37832 -12.7061 276.342 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)G405 jump= -0.814917 -0.430667 0.142582 0.360702 15.2322 123.465 -19.5793 # jumping subtree containing (T0187)L392 jump= -0.00632872 -0.658281 0.126116 -0.742106 -199.502 268.721 198.19 # generation 146: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2847 cost/residue, 274 clashes 0.0549696 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 613 ## CrossAndInsert 42 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1557 ## OptSubtree 1543 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I340 jump= -0.650286 -0.264079 0.271477 -0.658552 12.3491 244.939 99.4639 # jumping subtree containing (T0187)G414 jump= 0.702664 -0.650472 -0.284479 0.047132 5.04269 39.2241 299.181 # jumping subtree containing (T0187)A333 jump= 0.932138 0.35357 -0.0501232 -0.0599534 24.3445 115.615 -37.7719 # jumping subtree containing (T0187)G414 jump= -0.997982 -0.0294243 0.0168173 -0.0536967 8.63513 3.20227 12.9021 # jumping subtree containing (T0187)V364 jump= -0.677589 0.162444 0.330487 0.636603 -195.897 7.2521 33.5754 # jumping subtree containing (T0187)L392 jump= 0.47517 0.188049 -0.859339 -0.0196721 38.4831 15.9398 273.091 # jumping subtree containing (T0187)G414 jump= 0.997647 -0.036577 0.0423103 0.0396598 -16.9149 -15.8123 -4.04543 # jumping subtree containing (T0187)L392 jump= -0.208127 -0.504391 0.219216 -0.808837 -151.679 339.28 176.51 # jumping subtree containing (T0187)T401 jump= 0.874914 -0.377375 -0.262863 -0.151713 -31.5557 -84.7307 171.88 # jumping subtree containing (T0187)G414 jump= -0.945037 0.0349173 -0.252343 -0.204962 -3.37276 13.9228 -35.1034 # generation 147: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2846 cost/residue, 274 clashes 0.0549689 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 625 ## CrossAndInsert 42 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1559 ## OptSubtree 1553 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G376 jump= 0.349458 0.714997 0.0294749 -0.604806 19.3848 293.527 30.5544 # jumping subtree containing (T0187)M375 jump= 0.141906 -0.605053 -0.33719 -0.707161 -275.357 154.419 187.063 # jumping subtree containing (T0187)I335 jump= 0.478563 0.154714 0.700785 0.505907 -182.381 34.4553 12.6023 # generation 148: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2842 cost/residue, 274 clashes 0.0549689 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 633 ## CrossAndInsert 42 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1562 ## OptSubtree 1566 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G376 jump= -0.720089 0.281173 0.192816 -0.604348 139.538 177.738 124.027 # jumping subtree containing (T0187)D351 jump= 0.960808 0.206815 -0.179671 -0.0423609 59.0471 67.2645 -14.8448 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)L301 jump= 0.852245 0.207569 0.474962 -0.0707491 -170.675 80.9886 -30.9781 # jumping subtree containing (T0187)L301 jump= -0.385627 -0.139272 -0.88017 0.239157 -264.731 100.177 228.662 # jumping subtree containing (T0187)G414 jump= 0.997874 -0.0225393 -0.038215 -0.0477342 11.5983 -30.5978 24.5869 # jumping subtree containing (T0187)L301 jump= -0.997946 0.0037203 0.0145176 -0.0622858 29.6501 15.3648 21.8688 # jumping subtree containing (T0187)L392 jump= -0.464533 -0.57741 0.111423 0.662112 -20.667 176.038 -44.7386 # jumping subtree containing (T0187)G414 jump= -0.0852198 -0.165303 -0.687828 -0.701644 -190.046 -57.3204 69.9364 # jumping subtree containing (T0187)L392 jump= 0.883394 -0.327227 0.323499 0.0888003 -54.6251 -55.0609 86.9299 # jumping subtree containing (T0187)G414 jump= 0.174331 -0.750542 -0.582918 -0.257878 -234.893 231.229 269.233 # jumping subtree containing (T0187)G310 jump= 0.0155539 -0.554133 0.798328 0.235302 28.472 -35.6036 243.781 # generation 149: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2842 cost/residue, 274 clashes 0.0549689 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 644 ## CrossAndInsert 42 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1563 ## OptSubtree 1578 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G414 jump= -0.541521 -0.690378 0.301378 0.373236 80.054 212.303 21.046 # jumping subtree containing (T0187)V364 jump= 0.303927 -0.332984 0.36637 -0.813955 -233.363 217.442 199.643 # jumping subtree containing (T0187)L301 jump= -0.767705 0.480744 0.286789 -0.311874 143.116 48.2373 231.11 # jumping subtree containing (T0187)F309 jump= -0.33669 -0.260972 0.192517 0.884008 -52.4444 182.286 -66.0409 # jumping subtree containing (T0187)L301 jump= 0.998318 0.0314227 0.0251881 -0.0417142 -37.5192 -11.2601 -11.6425 # generation 150: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2842 cost/residue, 274 clashes 0.0549689 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 651 ## CrossAndInsert 42 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1563 ## OptSubtree 1595 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 94 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)G376 jump= -0.208644 0.737466 0.204957 0.608772 -224.239 175.749 235.861 # jumping subtree containing (T0187)G414 jump= 0.710505 -0.237513 0.222923 0.623759 110.072 73.8362 26.7687 # jumping subtree containing (T0187)G414 jump= -0.611177 0.251554 -0.746947 -0.0724786 -130.47 -38.2017 188.29 # jumping subtree containing (T0187)L392 jump= 0.952778 0.247842 -0.171957 0.0349273 56.0765 82.849 -17.9188 # jumping subtree containing (T0187)A333 jump= 0.643573 -0.286539 -0.425209 0.568248 136.74 200.233 237.035 # jumping subtree containing (T0187)V364 jump= 0.757347 0.440267 -0.20907 -0.434604 7.70232 157.599 -51.0053 # generation 151: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2264 cost/residue, 269 clashes 0.054969 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 656 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1566 ## OptSubtree 1610 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G414 jump= -0.598895 0.623334 -0.404588 -0.298474 57.5225 -37.6124 188.456 # jumping subtree containing (T0187)D351 jump= -0.980546 -0.122246 -0.109702 -0.107474 -21.9214 29.9189 -49.8213 # jumping subtree containing (T0187)G376 jump= 0.73726 -0.333725 0.465608 -0.358169 -217.88 4.82229 178.258 # jumping subtree containing (T0187)I335 jump= 0.148932 -0.464878 -0.792166 0.366306 -109.857 235.857 366.275 # jumping subtree containing (T0187)V364 jump= -0.827273 -0.289823 0.427141 -0.221747 142.539 140.33 93.8948 # jumping subtree containing (T0187)G310 jump= 0.962194 -0.0815467 -0.244668 0.0875848 97.989 1.12697 95.689 # generation 152: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2263 cost/residue, 269 clashes 0.0549684 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 658 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1571 ## OptSubtree 1628 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G414 jump= 0.7941 0.0404755 0.131424 -0.592026 -190.963 37.0587 20.6241 # jumping subtree containing (T0187)P304 jump= -0.961194 0.133876 0.144897 -0.192844 79.8354 -2.02158 76.8264 # jumping subtree containing (T0187)G414 jump= -0.928041 0.0583273 -0.178247 0.321816 -122.083 -8.25009 16.8155 # jumping subtree containing (T0187)L392 jump= 0.676041 0.269534 0.490716 -0.479081 -213.233 171.227 43.2876 # jumping subtree containing (T0187)G414 jump= -0.564608 -0.776 0.0637514 0.273819 60.066 263.932 53.3573 # jumping subtree containing (T0187)G414 jump= -0.914044 0.386325 0.0648221 -0.105235 23.7969 -42.0951 141.282 # generation 153: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.226 cost/residue, 269 clashes 0.0549689 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 661 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1577 ## OptSubtree 1651 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G414 jump= -0.840811 -0.135316 -0.474823 -0.221968 -147.887 70.4887 -35.0469 # jumping subtree containing (T0187)G405 jump= 0.99979 -0.0143381 0.0121824 0.00806995 -24.0897 -16.1433 6.50314 # jumping subtree containing (T0187)V364 jump= 0.816799 0.567894 -0.0261024 0.0982516 24.8435 242.04 -18.8015 # jumping subtree containing (T0187)G376 jump= 0.930919 0.206602 0.142536 -0.265308 -106.842 83.5094 -58.4371 # jumping subtree containing (T0187)F309 jump= 0.125981 0.7481 -0.563756 0.326581 37.2207 246.002 322.798 # jumping subtree containing (T0187)D351 jump= 0.967729 -0.197437 0.156578 -0.00135465 -56.9258 -86.5151 54.3694 # jumping subtree containing (T0187)G414 jump= -0.952087 -0.0421707 -0.177597 0.245379 -98.2712 19.5826 -17.9173 # jumping subtree containing (T0187)L392 jump= -0.748659 0.497646 -0.0397318 0.436211 -179.75 -32.6252 192.41 # jumping subtree containing (T0187)G376 jump= 0.728473 0.0476484 -0.245719 0.637713 129.017 214.073 69.2402 # jumping subtree containing (T0187)I308 jump= -0.740122 -0.568843 0.151168 -0.325247 61.4985 274.869 49.7799 # jumping subtree containing (T0187)G414 jump= 0.601938 -0.434175 0.357163 0.567096 62.582 17.1082 68.8966 # jumping subtree containing (T0187)G414 jump= 0.312381 0.296409 0.12947 0.893195 -153.631 226.78 38.4872 # jumping subtree containing (T0187)G405 jump= -0.941252 -0.149742 -0.0352692 0.30063 -81.293 56.3369 -19.8627 # generation 154: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.226 cost/residue, 269 clashes 0.0549689 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 672 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1579 ## OptSubtree 1662 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D351 jump= 0.999704 0.00421489 0.0239313 0.000914346 10.2051 -3.65495 15.8107 # jumping subtree containing (T0187)G405 jump= 0.0557496 0.970031 0.173141 0.1611 -89.5037 243.316 304.002 # jumping subtree containing (T0187)G414 jump= 0.27288 0.320914 -0.903123 -0.0831826 48.1052 10.9956 264.723 # jumping subtree containing (T0187)L337 jump= -0.361505 0.819922 0.0723133 -0.437965 89.092 186.502 255.218 # jumping subtree containing (T0187)D351 jump= 0.525118 0.296622 -0.199086 0.772419 -24.0758 304.738 67.3335 # jumping subtree containing (T0187)L392 jump= 0.0373647 0.905138 0.334316 0.259926 -175.39 268.237 268.108 # jumping subtree containing (T0187)L301 jump= 0.371938 -0.744885 -0.150584 -0.533042 -218.782 142.749 289.297 # jumping subtree containing (T0187)A333 jump= -0.195587 0.324964 0.92321 0.0618601 -135.079 24.6607 336.797 # generation 155: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.226 cost/residue, 269 clashes 0.0549689 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 683 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1579 ## OptSubtree 1675 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G414 jump= 0.157355 -0.649074 -0.705668 0.236591 -83.7315 214.848 335.701 # Removing break before 32 # jumping subtree containing (T0187)A333 jump= -0.299347 0.748511 -0.293005 -0.514073 165.477 111.75 147.343 # jumping subtree containing (T0187)G414 jump= -0.234193 0.374662 0.469546 0.764401 -258.362 62.344 61.1571 # jumping subtree containing (T0187)G414 jump= -0.451254 -0.779125 0.334386 -0.278424 46.3892 298.389 208.563 # generation 156: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.226 cost/residue, 269 clashes 0.0549689 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 52 ## TwoFragment 12 ## CrossOver 695 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1581 ## OptSubtree 1685 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G376 jump= -0.549176 -0.318329 0.760101 0.138994 105.864 -11.4662 169.787 # jumping subtree containing (T0187)G414 jump= 0.874434 -0.0265098 -0.43737 0.208253 110.384 46.5974 154.444 # jumping subtree containing (T0187)L301 jump= 0.553717 -0.444928 -0.651178 0.267217 19.1292 110.897 346.613 # jumping subtree containing (T0187)D351 jump= 0.253906 0.531895 -0.101319 0.80147 -135.969 316.41 128.711 # jumping subtree containing (T0187)D351 jump= -0.367898 -0.653196 0.627556 -0.210142 106.702 236.495 277.393 # jumping subtree containing (T0187)A333 jump= 0.93065 -0.0542247 -0.125694 0.33934 103.019 64.197 59.6561 # generation 157: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2012 cost/residue, 276 clashes 0.0436379 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 703 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1582 ## OptSubtree 1699 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G414 jump= 0.246515 0.55785 0.630093 0.480642 -268.526 146.063 115.867 # Removing break before 75 # jumping subtree containing (T0187)G414 jump= 0.178588 0.720798 0.459112 -0.48762 -81.6532 325.941 217.001 # jumping subtree containing (T0187)G376 jump= -0.0243242 -0.568254 0.528657 -0.630093 -112.983 279.517 291.967 # jumping subtree containing (T0187)G414 jump= 0.531643 0.717532 0.310604 0.325621 -176.276 293.068 46.3507 # jumping subtree containing (T0187)G376 jump= -0.832304 -0.347408 0.399443 -0.164385 124.477 126.156 87.2791 # jumping subtree containing (T0187)D351 jump= 0.674094 -0.734267 0.0456685 -0.0660624 -43.4086 -34.6676 288.765 # jumping subtree containing (T0187)G376 jump= -0.936308 -0.175987 0.247248 0.176704 35.9795 34.3838 19.4561 # jumping subtree containing (T0187)G405 jump= 0.973074 -0.117987 -0.186557 0.0663484 47.0082 -36.8722 77.2872 # jumping subtree containing (T0187)G376 jump= -0.570046 -0.165609 -0.706088 -0.386084 -209.612 18.7436 12.4148 # generation 158: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2012 cost/residue, 276 clashes 0.043638 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 707 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1589 ## OptSubtree 1714 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)F309 jump= 0.960214 -0.203319 0.154863 0.112554 -18.4432 -43.5546 45.9753 # jumping subtree containing (T0187)G414 jump= 0.588348 -0.427032 -0.505966 0.464207 139.035 176.058 286.737 # jumping subtree containing (T0187)T313 jump= -0.0980434 0.764084 -0.49518 0.401696 -81.0797 200.287 358.369 # jumping subtree containing (T0187)G405 jump= -0.668165 -0.559375 0.343894 -0.349847 69.1225 247.052 118.961 # jumping subtree containing (T0187)L301 jump= 0.811016 0.486721 0.140098 0.292792 -53.7725 227.601 -14.1139 # jumping subtree containing (T0187)G414 jump= 0.987301 0.0209751 0.138477 -0.0749706 -48.4354 15.8512 -22.7858 # jumping subtree containing (T0187)G376 jump= 0.0408923 0.644315 -0.202087 0.736442 -166.783 289.149 248.967 # Removing break before 36 # jumping subtree containing (T0187)L337 jump= 0.539321 0.0828615 -0.772531 -0.32475 22.326 -68.9642 126.42 # generation 159: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2007 cost/residue, 276 clashes 0.0436387 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 713 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1596 ## OptSubtree 1731 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.861339 0.0113617 -0.213361 0.460916 103.664 140.982 38.8517 # jumping subtree containing (T0187)G376 jump= 0.686565 -0.55011 0.149959 -0.451132 -174.022 -22.1869 233.513 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)G376 jump= 0.921485 0.242589 -0.302477 0.0228929 106.238 79.5647 16.3104 # generation 160: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2007 cost/residue, 276 clashes 0.0436387 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 724 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1598 ## OptSubtree 1742 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D351 jump= -0.5365 -0.0833878 -0.481372 -0.68811 -137.47 59.1347 -26.3789 # jumping subtree containing (T0187)G405 jump= 0.612299 -0.402878 -0.673417 0.096378 12.8533 15.4739 303.081 # jumping subtree containing (T0187)L301 jump= 0.692513 0.336303 0.631674 0.0911835 -204.569 107.412 35.4718 # jumping subtree containing (T0187)L337 jump= 0.791591 0.586545 0.163049 -0.0525735 -55.7841 256.366 -50.6741 # jumping subtree containing (T0187)F309 jump= 0.810309 0.154198 0.558577 0.087255 -212.515 56.1761 17.3476 # jumping subtree containing (T0187)L337 jump= -0.701684 0.319924 -0.62181 0.136529 -185.322 -55.5508 186.236 # jumping subtree containing (T0187)F309 jump= -0.395027 0.417719 0.133125 -0.807306 99.2089 241.239 88.7285 # generation 161: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2007 cost/residue, 276 clashes 0.0436387 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 733 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1599 ## OptSubtree 1758 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A333 jump= -0.837853 0.231749 -0.403534 0.285403 -193.453 -28.8565 92.3863 # jumping subtree containing (T0187)G376 jump= 0.436114 -0.787662 0.11083 0.420845 141.915 78.0306 225.561 # jumping subtree containing (T0187)V364 jump= -0.922283 -0.295363 0.207907 -0.137585 101.127 116.078 9.10303 # jumping subtree containing (T0187)G405 jump= -0.126386 0.00664905 -0.959822 -0.250449 -128.465 -60.1099 199.963 # jumping subtree containing (T0187)N407 jump= 0.242393 0.389444 0.731996 0.503747 -249.313 63.3367 99.0316 # generation 162: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2006 cost/residue, 276 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 739 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1601 ## OptSubtree 1774 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)T313 jump= 0.999045 -0.0238738 0.0209514 0.0299948 12.8492 6.18454 18.2256 # jumping subtree containing (T0187)G405 jump= -0.1251 -0.0142572 0.674608 -0.727359 -55.4001 304.99 282.578 # jumping subtree containing (T0187)G405 jump= -0.781518 0.536268 0.317632 -0.0275002 43.7341 -26.4499 246.229 # jumping subtree containing (T0187)A333 jump= 0.990336 -0.0263925 -0.0329021 -0.132117 -36.5287 -10.9767 15.1983 # jumping subtree containing (T0187)G405 jump= 0.926089 -0.0404 0.294172 -0.232787 -131.746 -12.0181 30.4782 # jumping subtree containing (T0187)G405 jump= -0.586764 -0.145688 -0.707533 -0.365896 -209.556 8.55049 15.7272 # jumping subtree containing (T0187)V364 jump= -0.0519842 -0.577463 -0.370928 0.725428 23.1951 333.712 200.899 # jumping subtree containing (T0187)G405 jump= 0.419001 0.476525 -0.448913 -0.629157 66.259 84.593 -22.82 # jumping subtree containing (T0187)G405 jump= -0.936292 0.257692 0.231839 -0.0565979 80.5814 -40.0976 139.873 # jumping subtree containing (T0187)D351 jump= 0.496346 -0.134533 0.709296 -0.482121 -267.695 111.084 218.988 # jumping subtree containing (T0187)G405 jump= 0.722322 0.0432583 -0.16984 -0.66898 -113.224 11.6748 -33.0584 # jumping subtree containing (T0187)N407 jump= -0.168523 0.428755 -0.827102 0.321982 -113.595 87.509 392.544 # jumping subtree containing (T0187)G405 jump= 0.683103 -0.620932 -0.350356 -0.158316 -62.4105 -5.59302 291.94 # jumping subtree containing (T0187)A333 jump= 0.936203 0.3112 -0.161277 0.0258457 46.2432 101.956 -33.3756 # jumping subtree containing (T0187)G405 jump= 0.492793 -0.0630756 0.866202 -0.053587 -205.993 -14.4963 204.425 # generation 163: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2006 cost/residue, 276 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 745 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1601 ## OptSubtree 1792 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D351 jump= 0.90123 0.352326 0.243181 -0.0671848 -110.995 143.078 -62.5607 # jumping subtree containing (T0187)A391 jump= 0.868042 0.196366 -0.275808 -0.363144 -20.1733 31.407 -4.20944 # jumping subtree containing (T0187)A333 jump= -0.92794 -0.264765 -0.136042 -0.22432 -26.7047 135.483 -60.9832 # jumping subtree containing (T0187)G376 jump= -0.914108 0.173132 -0.139491 -0.339079 79.7733 28.9401 22.6081 # jumping subtree containing (T0187)T404 jump= 0.0201738 -0.969598 -0.143717 -0.197023 -98.4833 270.716 332.761 # jumping subtree containing (T0187)L392 jump= 0.949208 0.266101 0.118916 0.118545 -20.8662 131.575 -49.9578 # jumping subtree containing (T0187)G376 jump= 0.644176 0.467438 0.128572 -0.591615 -113.84 219.349 -42.9814 # jumping subtree containing (T0187)V364 jump= -0.495842 -0.316916 0.0354308 -0.807743 -16.2734 276.33 35.5116 # jumping subtree containing (T0187)V364 jump= 0.0263233 -0.790093 0.050128 0.610366 134.294 232.397 150.701 # jumping subtree containing (T0187)G405 jump= -0.873794 -0.343123 0.0743846 0.336479 -15.6286 131.258 -80.272 # generation 164: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2006 cost/residue, 276 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 754 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1601 ## OptSubtree 1807 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)F309 jump= 0.869423 -0.0456187 -0.474273 0.130719 121.971 36.592 115.694 # jumping subtree containing (T0187)V364 jump= 0.738165 -0.640618 -0.0395268 -0.207745 -91.0382 -71.4186 284.447 # jumping subtree containing (T0187)L392 jump= 0.652865 0.18304 -0.672523 -0.296608 45.9704 -38.654 97.5869 # jumping subtree containing (T0187)V364 jump= 0.965623 -0.155273 -0.207352 0.0216315 60.3301 -45.8574 94.9992 # jumping subtree containing (T0187)D351 jump= 0.113554 -0.0588659 -0.242049 0.961797 -60.3884 298.642 63.2104 # jumping subtree containing (T0187)G405 jump= -0.858479 0.0764129 0.0317198 0.506131 -107.889 -5.12361 32.0039 # generation 165: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2006 cost/residue, 276 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 759 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1601 ## OptSubtree 1826 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A333 jump= -0.999451 0.009253 0.0292855 -0.0124614 30.1427 -2.26244 5.58096 # jumping subtree containing (T0187)D351 jump= -0.28729 0.503034 -0.0154329 -0.814975 117.15 172.629 82.1137 # jumping subtree containing (T0187)G376 jump= 0.638788 -0.110066 -0.327157 0.687607 145.453 189.764 125.943 # jumping subtree containing (T0187)F309 jump= 0.710311 0.689829 -0.139976 -0.000727163 53.0667 250.308 56.5793 # jumping subtree containing (T0187)G405 jump= -0.716888 0.173625 0.670971 -0.0756542 100.329 -8.89112 250.041 # jumping subtree containing (T0187)L337 jump= 0.999936 0.00328965 -0.0103254 0.00333962 -18.5256 -13.1213 8.22245 # jumping subtree containing (T0187)D351 jump= 0.181307 0.777994 0.338907 -0.496987 -27.7034 333.85 184.104 # generation 166: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2006 cost/residue, 276 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 767 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1603 ## OptSubtree 1840 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D351 jump= 0.0438279 0.841925 -0.428939 0.324427 -28.3095 186.632 355.083 # jumping subtree containing (T0187)D351 jump= -0.596989 -0.5924 -0.522796 -0.139105 -215.6 233.914 59.6587 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)L337 jump= -0.961488 -0.0907651 -0.187651 0.179136 -104.115 29.5329 -5.10302 # jumping subtree containing (T0187)V408 jump= -0.352421 -0.456079 -0.817183 0.00175582 -226.136 137.42 205.406 # generation 167: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2006 cost/residue, 276 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 777 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 1853 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L392 jump= 0.00881251 -0.1843 -0.877027 0.443599 -62.3388 174.558 359.755 # jumping subtree containing (T0187)A333 jump= 0.185134 -0.188906 -0.779511 0.567805 -14.4923 213.903 317.692 # jumping subtree containing (T0187)F309 jump= -0.72364 0.217908 0.490321 0.434105 -51.0374 -94.7183 108.742 # jumping subtree containing (T0187)G405 jump= 0.568972 0.130638 0.754531 -0.299811 -232.224 109.819 162.664 # jumping subtree containing (T0187)D351 jump= -0.0461221 -0.411548 0.252458 0.874509 52.1694 112.233 -25.0001 # jumping subtree containing (T0187)D351 jump= -0.541487 0.665641 0.0552694 0.510547 -210.33 5.14458 275.307 # Removing break before 32 # generation 168: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2006 cost/residue, 276 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 786 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 1868 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I308 jump= 0.04745 -0.197881 0.924243 0.323058 2.94609 -54.7872 196.029 # jumping subtree containing (T0187)D351 jump= -0.914691 0.252475 -0.225535 -0.220752 15.7725 -53.2409 49.2906 # jumping subtree containing (T0187)G405 jump= -0.999841 -0.014799 0.00754492 0.00640813 9.49823 -9.15551 19.8149 # jumping subtree containing (T0187)F309 jump= -0.445718 -0.486459 -0.636155 0.4 -150.984 228.072 177.399 # jumping subtree containing (T0187)G405 jump= 0.935814 -0.108382 -0.206195 -0.264553 -30.2962 -75.9508 36.013 # jumping subtree containing (T0187)G405 jump= -0.96944 -0.051814 0.206003 -0.122732 101.031 41.9489 28.1558 # jumping subtree containing (T0187)D351 jump= -0.973888 -0.0021769 -0.116377 0.194922 -63.4527 7.43934 0.286245 # jumping subtree containing (T0187)L392 jump= -0.985932 0.15092 0.0237206 0.0678164 -29.5125 -59.5217 59.4705 # jumping subtree containing (T0187)T404 jump= 0.0875811 0.0421142 -0.991219 -0.0896678 -74.493 -39.6155 292.312 # jumping subtree containing (T0187)A391 jump= -0.781611 -0.0651314 -0.509076 -0.35452 -66.5104 29.2376 7.47531 # jumping subtree containing (T0187)F309 jump= -0.973791 -0.162353 -0.120543 0.104126 -76.5021 60.6036 -9.98772 # generation 169: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2006 cost/residue, 276 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 798 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 1880 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D351 jump= 0.980575 0.174611 0.0113469 0.0886249 -9.67481 76.4695 -50.4346 # jumping subtree containing (T0187)G405 jump= 0.703235 0.67945 -0.197153 0.070277 84.6016 275.587 67.7308 # jumping subtree containing (T0187)D351 jump= -0.268708 0.35142 -0.89682 0.00367626 -112.102 -55.2239 286.765 # jumping subtree containing (T0187)F309 jump= 0.397289 -0.645404 0.0361599 0.651389 154.215 123.89 132.124 # jumping subtree containing (T0187)G376 jump= 0.945069 -0.0584071 0.318169 0.0469158 -98.6886 -36.0271 30.5494 # jumping subtree containing (T0187)D351 jump= -0.817944 -0.159172 -0.0955914 -0.544513 12.0381 170.881 -40.0404 # generation 170: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2006 cost/residue, 276 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 808 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 1894 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.108137 -0.223983 -0.475266 -0.843955 -167.925 68.1029 16.6844 # jumping subtree containing (T0187)D351 jump= 0.698017 0.0985539 0.382144 -0.597516 -255.386 153.696 60.4303 # jumping subtree containing (T0187)L307 jump= -0.487936 -0.339181 0.52183 -0.61202 68.8622 253.527 167.73 # jumping subtree containing (T0187)G405 jump= 0.977888 -0.135418 -0.150637 0.0520118 41.5066 -39.4008 46.1384 # generation 171: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2006 cost/residue, 276 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 819 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 1907 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L392 jump= 0.654916 -0.385026 0.561208 0.32846 9.12809 -55.6199 103.42 # jumping subtree containing (T0187)L301 jump= 0.944675 -0.0365962 0.314773 0.0846659 -81.4208 -37.5951 12.8033 # jumping subtree containing (T0187)D351 jump= 0.87374 0.105869 0.349578 0.321194 -97.9181 67.4128 -54.0217 # jumping subtree containing (T0187)P356 jump= -0.597509 -0.693426 0.372006 -0.154123 114.13 260.872 167.239 # jumping subtree containing (T0187)D351 jump= 0.813677 -0.15628 0.225244 0.512613 29.7954 40.6956 -27.5594 # jumping subtree containing (T0187)D351 jump= 0.988273 -0.00544455 -0.141636 0.0568058 68.978 -13.1689 23.3616 # generation 172: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2006 cost/residue, 276 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 832 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 1918 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A333 jump= -0.280321 -0.657682 0.631525 0.300083 140.595 91.6293 184.418 # jumping subtree containing (T0187)L337 jump= -0.637198 0.16401 -0.331484 0.676164 -235.768 130.593 123.524 # jumping subtree containing (T0187)F309 jump= -0.864774 0.0460042 0.425754 0.262266 58.9226 -44.7627 41.7995 # jumping subtree containing (T0187)L392 jump= -0.186138 -0.733334 -0.230867 0.611779 38.8819 327.637 150.464 # jumping subtree containing (T0187)K303 jump= -0.929508 -0.16141 0.291002 0.158996 67.7246 50.4201 -2.166 # jumping subtree containing (T0187)D351 jump= 0.484131 -0.248366 -0.465634 -0.697937 -176.684 -55.3923 110.757 # jumping subtree containing (T0187)D351 jump= 0.45455 0.809887 0.211898 0.304248 -144.826 300.587 153.428 # jumping subtree containing (T0187)A334 jump= -0.405337 0.511029 0.242233 -0.718244 154.415 174.71 163.438 # jumping subtree containing (T0187)G319 jump= -0.824136 -0.0779041 0.173694 -0.533443 100.011 166.878 55.7259 # jumping subtree containing (T0187)L337 jump= -0.987022 0.0690734 -0.115435 -0.0876956 -23.9374 -24.187 -8.79122 # generation 173: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2006 cost/residue, 276 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 842 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 1932 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= -0.275158 -0.401701 -0.786248 -0.380444 -190.67 49.1714 142.567 # jumping subtree containing (T0187)A333 jump= 0.214871 -0.0716645 -0.961597 -0.155003 -47.7847 -35.105 284.771 # jumping subtree containing (T0187)A333 jump= 0.568766 -0.682193 -0.43505 -0.147815 -33.3252 -33.0879 305.957 # jumping subtree containing (T0187)D351 jump= -0.8607 0.202826 -0.376357 0.276427 -172.918 -47.0607 98.945 # jumping subtree containing (T0187)D351 jump= 0.656205 -0.6919 0.30094 -0.0102408 -7.51686 -61.5685 271.059 # jumping subtree containing (T0187)D351 jump= 0.696193 0.158434 -0.0632039 0.697294 24.5459 246.724 19.8657 # jumping subtree containing (T0187)D351 jump= 0.575661 0.39573 0.715477 0.010259 -265.911 132.533 103.005 # generation 174: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2006 cost/residue, 276 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 858 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 1940 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D351 jump= -0.991427 0.1242 -0.0313727 0.0257457 11.0772 -45.2061 36.3627 # jumping subtree containing (T0187)D351 jump= 0.580503 0.795226 -0.0461614 0.168824 -26.776 331.046 136.992 # jumping subtree containing (T0187)D351 jump= -0.572267 -0.731195 0.348036 0.129364 113.822 204.081 133.351 # jumping subtree containing (T0187)D351 jump= 0.303066 0.291453 -0.896075 -0.142325 48.2454 -36.1161 275.267 # jumping subtree containing (T0187)L392 jump= 0.995064 0.0708433 -0.0113372 -0.0685527 15.4329 18.2289 -20.5305 # jumping subtree containing (T0187)D351 jump= 0.996906 -0.0154787 0.0728896 -0.0250304 -52.9948 -1.98162 13.3005 # jumping subtree containing (T0187)D351 jump= -0.49186 0.277141 0.506339 0.651834 -176.736 -61.5758 128.827 # generation 175: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2006 cost/residue, 276 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 873 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 1949 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= 0.263885 -0.451057 0.366505 0.769796 119.885 67.9007 41.4044 # jumping subtree containing (T0187)L392 jump= -0.0307624 0.68734 0.204717 -0.69621 63.0932 294.737 178.779 # jumping subtree containing (T0187)L392 jump= 0.220457 0.757566 0.49084 0.369551 -204.229 205.281 162.411 # jumping subtree containing (T0187)G405 jump= 0.785337 0.0758038 0.437453 0.431433 -90.0059 61.9337 -46.865 # jumping subtree containing (T0187)D365 jump= 0.841584 0.466036 0.257851 -0.0897755 -127.263 204.662 -20.4017 # generation 176: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2006 cost/residue, 276 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 885 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 1961 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.867923 -0.107078 -0.112194 -0.471865 -87.3597 -36.0058 21.2409 # Removing break before 36 # jumping subtree containing (T0187)D351 jump= 0.630324 0.737892 -0.2116 -0.115898 101.777 252.987 87.9371 # Removing break before 32 # jumping subtree containing (T0187)D351 jump= -0.971747 0.0630083 -0.0527091 0.221269 -55.3757 -16.7905 27.1183 # jumping subtree containing (T0187)D351 jump= -0.0376935 -0.162679 0.769575 0.616336 -44.6562 -92.6579 66.2511 # jumping subtree containing (T0187)D351 jump= 0.841017 0.162974 -0.515858 -0.00456039 149.309 64.0301 114.958 # jumping subtree containing (T0187)G405 jump= -0.672256 -0.673897 -0.228467 0.204299 -76.2102 271.623 53.9975 # jumping subtree containing (T0187)L337 jump= 0.619837 -0.300102 -0.719369 0.0908309 63.3713 6.41802 282.212 # generation 177: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2006 cost/residue, 276 clashes 0.0436387 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 898 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 1972 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D351 jump= -0.827216 0.36804 0.423117 -0.0351106 49.9307 -40.0582 234.572 # jumping subtree containing (T0187)G405 jump= 0.999978 0.00456419 -0.0047322 -0.000755873 21.6173 -15.2181 7.31738 # jumping subtree containing (T0187)D351 jump= 0.273888 0.637962 -0.419343 -0.584929 123.117 66.6571 77.4861 # jumping subtree containing (T0187)D351 jump= 0.843403 0.127993 -0.327659 0.406115 117.193 170.119 94.4351 # jumping subtree containing (T0187)G405 jump= -0.789227 0.0633473 0.600265 -0.11309 133.989 29.7341 167.474 # jumping subtree containing (T0187)G405 jump= -0.739613 0.137742 -0.296832 -0.588125 28.4906 28.4053 -19.0448 # jumping subtree containing (T0187)G405 jump= -0.966528 0.225309 -0.0739754 0.0979195 -46.3648 -45.7257 88.0337 # jumping subtree containing (T0187)K303 jump= -0.877498 -0.297146 -0.141739 0.348728 -112.356 127.654 -35.0167 # jumping subtree containing (T0187)F309 jump= -0.510185 -0.362346 0.706781 0.329965 121.865 39.4109 121.908 # jumping subtree containing (T0187)L301 jump= -0.981987 -0.140177 0.0743037 0.102617 13.0087 46.952 -36.5272 # generation 178: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 911 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 1983 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L392 jump= 0.280305 0.451098 -0.206695 0.821716 -42.3469 320.838 84.7087 # jumping subtree containing (T0187)K303 jump= 0.784937 -0.423016 0.239138 -0.384374 -176.162 -29.8635 143.532 # jumping subtree containing (T0187)D351 jump= -0.0926653 0.273826 -0.0411295 -0.956421 -4.54906 202.45 -6.66528 # jumping subtree containing (T0187)G405 jump= 0.815059 0.260063 -0.1739 0.487652 115.442 198.987 -9.99096 # jumping subtree containing (T0187)D351 jump= -0.145102 0.264139 0.289634 0.908454 -214.33 96.1439 16.7648 # Removing break moved up 3 to before 94 # generation 179: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 925 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 1993 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A333 jump= -0.875619 -0.335854 -0.324956 0.122055 -114.111 133.802 -0.582287 # jumping subtree containing (T0187)D351 jump= 0.770966 0.166583 0.607714 0.0924446 -213.697 45.9707 66.7297 # jumping subtree containing (T0187)D351 jump= -0.446214 -0.451056 -0.757339 0.154534 -242.54 184.35 184.213 # jumping subtree containing (T0187)L301 jump= -0.0298299 0.377763 -0.147696 -0.91356 87.5834 189.427 -16.0161 # generation 180: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 933 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2009 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.15278 -0.0317126 -0.577481 -0.801354 -91.7459 -11.5023 12.0818 # jumping subtree containing (T0187)A333 jump= 0.86883 0.121059 0.479694 0.0193287 -153.067 41.2596 9.8594 # jumping subtree containing (T0187)G376 jump= -0.760362 -0.0833647 -0.40929 0.497376 -195.816 129.537 54.9203 # jumping subtree containing (T0187)G405 jump= -0.38952 0.745354 0.373943 0.391008 -167.445 45.8364 268.185 # jumping subtree containing (T0187)D351 jump= -0.11501 -0.258169 -0.66211 0.694069 -120.318 331.068 286.21 # jumping subtree containing (T0187)G405 jump= 0.735624 0.547459 0.301738 -0.260959 -116.015 257.254 5.00113 # jumping subtree containing (T0187)D351 jump= -0.988573 0.115087 -0.0960987 0.0155724 -55.9632 -47.0069 7.16725 # jumping subtree containing (T0187)L301 jump= -0.494055 0.442805 -0.589746 -0.46047 47.789 -48.5318 109.383 # jumping subtree containing (T0187)A333 jump= 0.683372 -0.668603 0.0824918 0.281368 78.0805 -37.5903 234.861 # generation 181: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 943 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2023 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L392 jump= -0.628933 0.521354 -0.564019 -0.120484 -8.66788 -58.899 226.07 # jumping subtree containing (T0187)D351 jump= -0.0802018 -0.217764 -0.840427 0.489723 -151.726 208.014 343.208 # jumping subtree containing (T0187)G405 jump= 0.99459 0.0185011 -0.0904518 -0.04761 25.046 -26.9296 -0.199913 # jumping subtree containing (T0187)A333 jump= -0.2448 0.623638 0.0778903 -0.738296 124.42 186.166 159.492 # jumping subtree containing (T0187)D351 jump= 0.98516 0.0893563 -0.13534 -0.0561921 61.0592 27.8 -5.21887 # jumping subtree containing (T0187)L392 jump= 0.60076 -0.792854 -0.040198 0.0940952 20.4696 37.7183 324.745 # jumping subtree containing (T0187)L301 jump= -0.106552 0.345718 0.544495 0.756737 -172.844 24.646 51.0029 # generation 182: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 952 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2038 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D351 jump= -0.383552 0.0449927 -0.891527 -0.236737 -160.834 -71.6118 184.564 # jumping subtree containing (T0187)F309 jump= -0.451805 -0.726412 0.445362 -0.264291 82.8248 265.108 202.769 # jumping subtree containing (T0187)G405 jump= 0.628589 0.536203 0.482946 0.290043 -212.347 189.565 11.1981 # generation 183: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 969 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2045 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.790985 -0.372022 0.0588382 0.482163 105.176 36.0813 92.568 # jumping subtree containing (T0187)G405 jump= 0.797903 0.281744 0.128654 0.517126 -34.9448 162.36 -42.8247 # jumping subtree containing (T0187)L337 jump= -0.340412 0.476137 0.776246 0.234213 -99.6858 -33.2811 269.516 # jumping subtree containing (T0187)G362 jump= 0.208175 0.401564 0.531355 -0.71629 -115.62 320.589 177.626 # jumping subtree containing (T0187)D351 jump= -0.996086 0.0158614 -0.0231549 0.0838193 -35.0232 -3.57132 -4.53521 # generation 184: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 984 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2054 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)F309 jump= -0.302518 -0.812593 0.275328 0.415175 124.476 223.718 130.169 # jumping subtree containing (T0187)L337 jump= 0.558302 0.419265 -0.705147 0.123625 158.106 112.062 220.115 # jumping subtree containing (T0187)L301 jump= 0.443942 -0.120066 -0.880488 0.115064 67.2554 4.37145 308.733 # jumping subtree containing (T0187)A333 jump= 0.746985 0.652846 0.0506834 0.115051 -46.6391 252.364 16.3495 # jumping subtree containing (T0187)L301 jump= -0.927908 -0.361174 -0.0892893 0.0238213 -43.4947 112.391 -57.9142 # jumping subtree containing (T0187)G405 jump= 0.154885 0.81651 0.551159 -0.0744618 -142.974 235.211 265.726 # generation 185: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 998 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2064 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.980112 0.114603 -0.0287955 0.159429 -43.9763 -49.5862 50.8527 # jumping subtree containing (T0187)G405 jump= 0.320642 0.417729 -0.219297 0.821341 -81.0406 299.965 105.843 # jumping subtree containing (T0187)F309 jump= -0.483028 0.433342 0.753261 0.107221 -5.92658 -26.0255 289.138 # jumping subtree containing (T0187)G405 jump= -0.908479 -0.412333 -0.0670784 -0.0121688 -17.8166 164.592 -27.3753 # generation 186: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 1010 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2076 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G376 jump= -0.654217 0.0556999 0.406831 -0.635126 138.732 178.218 148.332 # jumping subtree containing (T0187)F309 jump= -0.782254 0.00530848 -0.55349 0.285831 -209.324 68.1279 79.0632 # jumping subtree containing (T0187)L392 jump= -0.323573 0.550288 -0.55099 -0.537489 134.823 -20.2322 148.878 # generation 187: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 1024 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2086 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D351 jump= 0.652649 -0.00733706 0.309368 0.691582 -30.3924 97.8346 -37.2668 # jumping subtree containing (T0187)L301 jump= 0.360255 -0.931856 0.0250916 0.0350843 -6.99946 122.188 354.472 # jumping subtree containing (T0187)L301 jump= -0.984722 -0.142967 -0.0345668 0.0932144 -29.146 50.2324 -57.4542 # jumping subtree containing (T0187)F309 jump= 0.0239816 0.384437 0.621641 -0.682053 -14.9658 254.082 244.158 # jumping subtree containing (T0187)G376 jump= -0.479657 -0.835388 -0.0150956 -0.268008 -55.8842 324.615 178.77 # jumping subtree containing (T0187)G405 jump= -0.172184 0.758812 0.0302667 -0.627408 139.782 210.055 142.407 # jumping subtree containing (T0187)I308 jump= -0.542857 0.743289 0.346218 -0.181553 44.0739 48.5566 285.947 # jumping subtree containing (T0187)L301 jump= 0.840741 -0.371278 -0.180148 0.350506 122.979 -7.13346 125.843 # generation 188: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 1041 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2093 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G376 jump= -0.233968 0.838472 -0.435003 -0.23021 125.122 50.0332 315.753 # jumping subtree containing (T0187)F309 jump= 0.837464 0.272881 0.384624 -0.276141 -145.536 128.736 11.5677 # jumping subtree containing (T0187)F309 jump= -0.0370362 0.525858 0.525838 0.66753 -206.631 63.3685 111.438 # jumping subtree containing (T0187)A333 jump= 0.237465 -0.0743282 0.259873 0.933034 -0.221392 145.991 -48.6941 # jumping subtree containing (T0187)G405 jump= -0.698619 -0.0285625 -0.650842 0.295837 -235.09 41.8748 124.854 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)N326 jump= 0.736727 -0.256273 0.524645 0.341034 -42.9294 -49.7664 72.1152 # jumping subtree containing (T0187)D351 jump= -0.998672 0.0337332 -0.0138228 -0.0364097 20.9188 -13.8457 18.8026 # generation 189: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 1058 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2100 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.621639 -0.238351 0.423682 0.614205 -5.61296 47.5846 -30.529 # jumping subtree containing (T0187)A374 jump= 0.455342 0.64962 -0.485809 0.366944 78.8043 296.836 213.279 # jumping subtree containing (T0187)D351 jump= -0.675768 -0.191402 0.332404 -0.629452 112.48 250.53 110.948 # jumping subtree containing (T0187)G405 jump= -0.336185 -0.556428 0.739577 -0.174335 81.7359 156.379 289.069 # jumping subtree containing (T0187)D351 jump= 0.863756 0.433449 -0.0591762 0.250091 22.4978 230.989 19.9885 # jumping subtree containing (T0187)A374 jump= 0.948057 -0.12302 0.0329491 0.291493 53.7991 -9.89877 43.3508 # jumping subtree containing (T0187)G376 jump= -0.977204 -0.0714964 0.134709 -0.147694 98.4445 37.0648 16.7832 # generation 190: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 1070 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2112 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A333 jump= 0.29749 0.16654 -0.926099 -0.161572 64.4025 -15.0978 257.535 # jumping subtree containing (T0187)D351 jump= -0.949883 0.269136 -0.12736 0.0952211 -80.8794 -85.3769 59.7463 # jumping subtree containing (T0187)G376 jump= 0.999729 -9.48626e-06 -0.0198745 -0.0121024 -8.2001 9.01155 -9.97591 # jumping subtree containing (T0187)F309 jump= 0.851124 0.508686 0.119978 -0.0493132 -38.3169 198.008 -0.380842 # jumping subtree containing (T0187)G376 jump= -0.339866 0.1033 -0.857794 -0.371496 -93.053 -87.1796 149.11 # jumping subtree containing (T0187)G405 jump= 0.558658 0.0816145 0.465446 0.681616 -107.843 67.0338 -36.0381 # jumping subtree containing (T0187)G376 jump= 0.829964 0.549081 -0.0487389 0.0854091 22.6009 217.569 -4.08048 # jumping subtree containing (T0187)G405 jump= -0.0338145 -0.100937 -0.153528 -0.982394 -135.192 176.752 -1.29225 # generation 191: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 1085 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2121 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= -0.739766 -0.355442 0.0886607 -0.564399 48.6702 210.566 19.6394 # jumping subtree containing (T0187)G405 jump= 0.614698 0.507405 -0.584736 0.150902 148.192 157.251 146.021 # jumping subtree containing (T0187)A333 jump= 0.640962 -0.713721 -0.253638 -0.12425 -40.2574 -9.83093 295.013 # jumping subtree containing (T0187)D351 jump= 0.955309 -0.00178302 0.295324 0.0128503 -111.671 21.4315 -12.0448 # jumping subtree containing (T0187)A333 jump= 0.960813 0.0647935 -0.0734256 -0.259323 -17.2872 2.95056 -14.0942 # jumping subtree containing (T0187)G405 jump= -0.715976 -0.384658 0.358367 -0.459337 81.3728 240.771 81.6718 # jumping subtree containing (T0187)L301 jump= -0.983672 0.140611 0.112304 0.00228631 22.7085 -51.9168 41.5206 # jumping subtree containing (T0187)L337 jump= -0.607792 -0.377363 -0.144955 0.683502 -87.0853 240.869 16.3731 # generation 192: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 1100 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2130 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= -0.299199 -0.112219 0.850062 0.418666 37.9321 -59.1629 153.636 # jumping subtree containing (T0187)G405 jump= -0.999993 0.00120649 0.00217719 0.00290648 -7.28954 15.2462 14.7407 # jumping subtree containing (T0187)D351 jump= -0.512369 -0.466061 0.694733 0.193937 114.393 54.0016 188.21 # jumping subtree containing (T0187)L392 jump= -0.988809 -0.0745526 0.0819127 0.0999495 31.3877 25.4727 -17.4095 # jumping subtree containing (T0187)G405 jump= 0.479255 -0.509211 0.280571 -0.657495 -239.895 88.8135 241.638 # jumping subtree containing (T0187)G376 jump= 0.992637 0.0377076 0.0676234 0.0931451 -4.05698 -4.05283 -14.9319 # jumping subtree containing (T0187)F309 jump= 0.85669 0.0777806 0.276893 -0.428209 -171.944 84.9558 9.60531 # jumping subtree containing (T0187)L392 jump= 0.971711 -0.201248 -0.0915825 0.0829994 50.1155 -55.1243 64.2074 # jumping subtree containing (T0187)D351 jump= 0.833343 -0.304253 -0.146213 0.437712 146.641 54.4174 104.471 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)G376 jump= 0.225091 0.14431 0.841131 -0.470115 -178.769 192.697 315.008 # jumping subtree containing (T0187)G405 jump= 0.37027 -0.791162 0.468103 0.133573 74.7336 24.5322 279.54 # generation 193: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 1114 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2140 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D351 jump= 0.743315 -0.597115 0.261755 0.149732 37.1157 -84.8898 217.654 # jumping subtree containing (T0187)G405 jump= -0.986806 -0.00986257 -0.139851 -0.0809856 -23.8687 -4.98838 12.3482 # jumping subtree containing (T0187)G405 jump= 0.830797 -0.426854 0.227418 -0.275415 -138.741 -53.3458 142.933 # jumping subtree containing (T0187)A333 jump= 0.161308 0.334896 0.538672 -0.75608 -87.1275 287.131 168.981 # jumping subtree containing (T0187)F309 jump= 0.634433 0.595475 -0.34674 -0.350251 92.4928 162.665 55.6931 # Removing break moved up 3 to before 94 # jumping subtree containing (T0187)F309 jump= -0.971002 0.225764 0.0786069 0.00265024 5.03482 -59.1321 85.5733 # jumping subtree containing (T0187)G405 jump= -0.989031 -0.0836904 -0.0168806 -0.120531 35.5937 61.0516 -23.0254 # jumping subtree containing (T0187)G405 jump= -0.0360496 -0.614563 -0.725047 0.308738 -118.902 228.099 310.077 # jumping subtree containing (T0187)G376 jump= -0.226961 0.968829 -0.0758147 -0.0641143 28.9129 161.63 335.962 # jumping subtree containing (T0187)F309 jump= 0.877886 0.374776 0.290676 -0.0660752 -130.951 143.796 -24.293 # jumping subtree containing (T0187)G405 jump= 0.929058 0.0803804 0.00627478 0.361042 66.2953 106.335 -19.3537 # jumping subtree containing (T0187)G376 jump= 0.564993 0.124539 -0.749834 -0.32097 82.6765 -36.5746 119.513 # jumping subtree containing (T0187)D351 jump= 0.975408 -0.194505 0.0300689 -0.0992095 -47.358 -55.6686 77.6984 # jumping subtree containing (T0187)D351 jump= 0.794815 0.335506 -0.0972335 0.496236 25.2369 235.032 38.1798 # generation 194: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 1127 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2151 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= 0.198753 -0.430143 0.874501 0.103546 14.4786 -28.697 283.974 # jumping subtree containing (T0187)I308 jump= 0.706766 -0.356617 -0.191646 -0.580153 -151.897 -50.2241 82.933 # jumping subtree containing (T0187)D351 jump= -0.578886 0.545726 -0.396052 -0.458495 60.5655 -35.5456 122.821 # jumping subtree containing (T0187)G405 jump= -0.0448111 0.797962 -0.526476 -0.289952 141.683 83.9258 249.01 # jumping subtree containing (T0187)D351 jump= 0.0546528 -0.22287 0.721004 -0.653832 -129.423 257.83 323.66 # jumping subtree containing (T0187)D351 jump= -0.397899 -0.71524 0.420827 -0.391168 26.123 276.1 246.707 # jumping subtree containing (T0187)G405 jump= -0.882658 0.248278 -0.315358 -0.244587 2.09851 -52.0461 46.8368 # jumping subtree containing (T0187)G376 jump= -0.638648 0.203529 -0.145999 -0.727592 108.973 90.7552 -9.67868 # jumping subtree containing (T0187)L301 jump= -0.879817 -0.421773 0.081854 -0.203294 58.1771 167.378 -22.7726 # jumping subtree containing (T0187)L392 jump= -0.983285 0.0966753 0.116978 0.100604 21.9898 -50.7324 22.796 # jumping subtree containing (T0187)F309 jump= 0.98068 -0.111117 0.0202617 0.159717 11.6061 -35.6514 24.9621 # jumping subtree containing (T0187)F309 jump= 0.171754 -0.0332649 0.966464 0.187996 -73.2486 -34.6645 225.361 # generation 195: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 1140 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2162 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.306941 0.879629 0.293245 0.214584 -105.563 121.008 354.631 # jumping subtree containing (T0187)D351 jump= 0.560512 0.604556 0.227964 0.518046 -143.959 248.055 75.6109 # jumping subtree containing (T0187)L337 jump= -0.567446 0.217563 -0.321967 -0.725954 78.3187 46.0216 -5.47608 # Removing break moved up 3 to before 94 # Removing break before 32 # generation 196: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436392 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 1155 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2171 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.910629 0.162388 -0.177435 -0.336008 1.79405 34.838 -10.1977 # jumping subtree containing (T0187)D351 jump= 0.694867 0.0288334 -0.469286 0.54415 123.918 187.966 152.909 # jumping subtree containing (T0187)G405 jump= -0.0970473 0.585539 -0.588711 -0.548768 97.1638 4.93614 106.459 # jumping subtree containing (T0187)D351 jump= 0.989422 0.00946797 -0.0947733 0.109419 66.1926 30.196 7.08006 # jumping subtree containing (T0187)G376 jump= 0.383581 -0.075063 -0.382854 -0.837051 -108.742 41.3316 15.5038 # jumping subtree containing (T0187)D351 jump= -0.897229 0.437342 -0.0414561 -0.0446341 31.0492 -81.5388 147.225 # jumping subtree containing (T0187)D351 jump= -0.978765 0.178015 -0.00996936 0.101145 -48.9518 -82.8434 58.9759 # Removing break before 36 # generation 197: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436394 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 1169 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2181 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I416 jump= -0.473984 -0.583654 0.523418 -0.4009 114.019 280.042 200.215 # jumping subtree containing (T0187)L337 jump= -0.999903 0.00259577 0.0134966 0.00207189 -19.0702 1.31774 -1.78918 # jumping subtree containing (T0187)I416 jump= -0.761272 -0.0317794 -0.590694 0.265586 -207.546 45.9836 116.997 # generation 198: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2005 cost/residue, 276 clashes 0.0436394 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 1178 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2196 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)F309 jump= 0.98494 0.059125 -0.0336752 0.158948 33.9381 29.8523 13.8495 # jumping subtree containing (T0187)G405 jump= 0.994211 -0.0711653 -0.0227936 0.0771999 40.3751 -5.22671 46.1136 # jumping subtree containing (T0187)F309 jump= 0.161573 0.472525 -0.85322 -0.150434 110.412 29.4607 262.224 # jumping subtree containing (T0187)G323 jump= -0.963859 -0.259538 -0.058648 0.0132987 2.39841 100.939 -30.174 # jumping subtree containing (T0187)D351 jump= -0.0784234 -0.496578 -0.0871506 0.860038 10.6899 245.029 61.6155 # generation 199: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2004 cost/residue, 276 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 1187 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2211 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D351 jump= -0.52396 -0.359981 -0.184726 0.749504 -131.754 251.455 -12.2368 # jumping subtree containing (T0187)L337 jump= -0.993748 -0.0736982 -0.0423889 -0.0723625 -9.43216 13.8164 -22.6727 # jumping subtree containing (T0187)D351 jump= 0.511348 0.762617 0.0385306 0.394276 -93.8083 319.217 124.459 # jumping subtree containing (T0187)G376 jump= 0.0811179 0.851225 0.494615 0.155536 -179.407 211.34 266.504 # jumping subtree containing (T0187)D351 jump= 0.240688 0.810541 -0.0955887 0.525314 -120.281 286.889 225.554 # generation 200: best score out of 40: T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB 74.2004 cost/residue, 276 clashes 0.0436391 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 61 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 1192 ## CrossAndInsert 42 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1604 ## OptSubtree 2230 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1354641334.pdb -s /projects/compbio/tmp/to_scwrl_1354641334.seq -o /projects/compbio/tmp/from_scwrl_1354641334.pdb -a /projects/compbio/tmp/from_scwrl_1354641334_a.pdb -b /projects/compbio/tmp/from_scwrl_1354641334_b.pdb > /projects/compbio/tmp/scwrl_1354641334.log # T0187.try1-al10+T0187-1jeqB-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1jeqB-scwrl 73.8331 cost/residue 221 clashes 0.043639 breaks # filling super_pool to have at least 40 conformations # best score in super_pool out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4196 cost/residue, 219 clashes 0.0480212 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 # generation 1: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4196 cost/residue, 219 clashes 0.0480212 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 9 ## InsertFragment 5 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 3 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4196 cost/residue, 219 clashes 0.0480212 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 11 ## InsertFragment 11 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4061 cost/residue, 227 clashes 0.0616127 breaks # Cumulative usage by method: ## InsertAlignment 4 ## InsertSpecificFragment 13 ## InsertFragment 16 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 4 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= -0.593786 0.484897 -0.00566856 -0.642075 5.21143 -3.28407 26.5504 # generation 4: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4061 cost/residue, 227 clashes 0.0616127 breaks # Cumulative usage by method: ## InsertAlignment 4 ## InsertSpecificFragment 16 ## InsertFragment 19 ## TwoFragment 7 ## CrossOver 1 ## CrossAndInsert 11 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 7 ## JiggleSubtree 3 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 79 # generation 5: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4061 cost/residue, 227 clashes 0.0616127 breaks # Cumulative usage by method: ## InsertAlignment 5 ## InsertSpecificFragment 17 ## InsertFragment 22 ## TwoFragment 9 ## CrossOver 3 ## CrossAndInsert 11 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 10 ## JiggleSubtree 4 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4061 cost/residue, 227 clashes 0.0616127 breaks # Cumulative usage by method: ## InsertAlignment 5 ## InsertSpecificFragment 21 ## InsertFragment 26 ## TwoFragment 10 ## CrossOver 4 ## CrossAndInsert 13 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 16 ## JiggleSubtree 4 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # Removing break before 104 # generation 7: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.4061 cost/residue, 227 clashes 0.0616127 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 22 ## InsertFragment 30 ## TwoFragment 11 ## CrossOver 4 ## CrossAndInsert 17 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 20 ## JiggleSubtree 6 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 104 # generation 8: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.3396 cost/residue, 214 clashes 0.0480212 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 22 ## InsertFragment 32 ## TwoFragment 12 ## CrossOver 7 ## CrossAndInsert 18 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 23 ## JiggleSubtree 8 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= 0.267518 0.746942 0.301945 0.528528 23.1124 14.0459 -14.6327 # Removing break before 44 # generation 9: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.3396 cost/residue, 214 clashes 0.0480212 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 38 ## TwoFragment 12 ## CrossOver 8 ## CrossAndInsert 18 ## ReduceClash 61 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 23 ## JiggleSubtree 11 ## OptSubtree 18 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.2692 cost/residue, 219 clashes 0.136022 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 42 ## TwoFragment 12 ## CrossOver 12 ## CrossAndInsert 20 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 24 ## JiggleSubtree 13 ## OptSubtree 20 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.2692 cost/residue, 219 clashes 0.136022 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 48 ## TwoFragment 12 ## CrossOver 12 ## CrossAndInsert 23 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 24 ## JiggleSubtree 19 ## OptSubtree 26 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.579771 0.14258 0.662606 0.452205 -19.5615 -2.51043 -8.11385 # jumping subtree containing (T0187)V408 jump= 0.928044 0.25064 -0.237258 0.140083 -4.52418 -15.9949 2.2884 # generation 12: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 73.2692 cost/residue, 219 clashes 0.136022 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 50 ## TwoFragment 12 ## CrossOver 13 ## CrossAndInsert 25 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 27 ## JiggleSubtree 26 ## OptSubtree 34 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= 0.695449 -0.647243 0.280457 -0.137006 6.54135 -16.1603 -18.8922 # generation 13: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.9784 cost/residue, 237 clashes 0.138965 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 51 ## TwoFragment 12 ## CrossOver 17 ## CrossAndInsert 25 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 27 ## JiggleSubtree 30 ## OptSubtree 49 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.7928 cost/residue, 326 clashes 0.0963219 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 21 ## CrossAndInsert 25 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 30 ## JiggleSubtree 35 ## OptSubtree 58 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T401 jump= -0.661998 0.643349 -0.256337 -0.28662 -4.37661 -0.871541 -13.5436 # jumping subtree containing (T0187)G352 jump= 0.990368 -0.122032 -0.0561886 -0.0334913 -7.51903 -0.76169 20.8534 # generation 15: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.5569 cost/residue, 315 clashes 0.0770014 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 23 ## CrossAndInsert 25 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 34 ## JiggleSubtree 41 ## OptSubtree 73 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= -0.0869003 -0.875125 0.449127 0.157762 0.926285 -2.41927 28.841 # generation 16: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.5569 cost/residue, 315 clashes 0.0770014 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 25 ## CrossAndInsert 25 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 39 ## JiggleSubtree 51 ## OptSubtree 80 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.55686 0.00241128 -0.0775019 0.826979 -20.236 3.06337 2.32518 # jumping subtree containing (T0187)I400 jump= 0.991197 0.0608 0.11515 0.0239159 -1.816 9.29345 -19.2905 # jumping subtree containing (T0187)I363 jump= -0.91096 -0.36364 0.073227 -0.180434 -22.9233 9.52812 15.7151 # generation 17: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.5437 cost/residue, 317 clashes 0.07437 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 27 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 41 ## JiggleSubtree 63 ## OptSubtree 87 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A359 jump= -0.990282 -0.0969174 0.0641755 0.0763537 -19.1975 -10.911 18.9667 # Removing break before 36 # jumping subtree containing (T0187)A369 jump= 0.940963 0.243562 0.223146 -0.0739758 7.83969 28.5623 4.72025 # generation 18: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.5437 cost/residue, 317 clashes 0.07437 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 30 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 42 ## JiggleSubtree 71 ## OptSubtree 99 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= 0.417732 -0.66919 -0.47645 -0.388175 12.0642 -7.16077 -1.81468 # Removing break before 36 # Removing break before 36 # generation 19: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.5437 cost/residue, 317 clashes 0.07437 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 31 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 47 ## JiggleSubtree 80 ## OptSubtree 108 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K303 jump= 0.459728 -0.201996 -0.739182 -0.448842 -48.8553 -21.1753 38.9576 # jumping subtree containing (T0187)I363 jump= 0.817339 -0.356884 -0.302226 0.336526 14.572 15.7938 6.21856 # Removing break before 36 # jumping subtree containing (T0187)I363 jump= 0.825025 -0.497764 -0.0971466 0.249255 -8.19634 16.0184 6.72218 # generation 20: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.5437 cost/residue, 317 clashes 0.07437 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 53 ## TwoFragment 12 ## CrossOver 31 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 52 ## JiggleSubtree 90 ## OptSubtree 123 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I413 jump= 0.721151 0.386407 0.435709 0.375218 -7.24501 6.52714 3.49034 # Removing break before 36 # Removing break before 36 # jumping subtree containing (T0187)E328 jump= -0.999284 -0.0305712 0.021851 0.00445748 -16.8836 -2.31551 20.4418 # jumping subtree containing (T0187)L337 jump= 0.316761 0.416006 0.581403 -0.623356 -12.7159 25.0335 30.3135 # generation 21: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.5307 cost/residue, 325 clashes 0.0743701 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 33 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 55 ## JiggleSubtree 97 ## OptSubtree 133 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G352 jump= -0.206537 -0.741055 0.299641 -0.564266 13.0396 26.2039 5.09391 # jumping subtree containing (T0187)T313 jump= 0.563413 -0.109825 -0.442958 -0.688689 -9.82772 -52.4166 24.8635 # jumping subtree containing (T0187)C346 jump= 0.128196 0.541038 -0.830655 -0.0292472 -25.6145 -37.417 49.035 # jumping subtree containing (T0187)T401 jump= -0.7621 -0.478724 -0.37435 0.223359 -12.9939 45.3735 -22.048 # generation 22: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.5307 cost/residue, 325 clashes 0.0743701 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 55 ## TwoFragment 12 ## CrossOver 34 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 58 ## JiggleSubtree 105 ## OptSubtree 145 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= -0.450687 -0.337208 -0.613489 -0.553898 2.69378 24.4612 -13.1692 # jumping subtree containing (T0187)G405 jump= 0.999142 0.0385286 0.00441704 -0.0145073 16.1959 11.6804 15.914 # Removing break before 36 # Removing break before 36 # jumping subtree containing (T0187)A369 jump= -0.711496 -0.464518 -0.50517 0.150995 -18.6294 5.4971 5.97129 # generation 23: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.4486 cost/residue, 322 clashes 0.0720589 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 56 ## TwoFragment 12 ## CrossOver 35 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 59 ## JiggleSubtree 113 ## OptSubtree 165 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K373 jump= -0.299408 0.725842 0.0951646 0.611925 -19.9839 -10.0689 -4.62628 # jumping subtree containing (T0187)T313 jump= 0.652929 0.659817 -0.361649 0.0868017 -39.286 -27.2076 -6.39339 # jumping subtree containing (T0187)G405 jump= 0.420393 0.822762 0.343474 0.168396 17.132 5.96437 -35.2244 # jumping subtree containing (T0187)G405 jump= 0.435851 -0.635316 -0.573449 0.278504 -2.89385 -50.3365 -54.1522 # jumping subtree containing (T0187)I363 jump= -0.449339 0.447246 -0.0837715 0.768796 14.9198 -61.3133 -25.4679 # jumping subtree containing (T0187)I363 jump= 0.239346 -0.181611 -0.778775 -0.550672 -12.8658 -0.319955 -16.3201 # jumping subtree containing (T0187)A369 jump= -0.0258137 0.378948 0.873662 -0.304052 -26.7162 -12.9076 -35.9239 # Removing break before 36 # jumping subtree containing (T0187)A359 jump= -0.652771 0.634638 0.38728 -0.145393 -23.6209 6.25189 -26.7607 # generation 24: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.4485 cost/residue, 322 clashes 0.0720587 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 57 ## TwoFragment 12 ## CrossOver 37 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 62 ## JiggleSubtree 125 ## OptSubtree 174 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing (T0187)G339 jump= -0.810111 -0.464232 0.357892 0.011055 -38.9812 -32.4006 -21.9476 # jumping subtree containing (T0187)G405 jump= 0.938766 -0.237099 0.172859 0.180616 9.27146 8.01296 -2.3737 # Removing break before 36 # generation 25: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.4485 cost/residue, 322 clashes 0.0720588 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 58 ## TwoFragment 12 ## CrossOver 39 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 66 ## JiggleSubtree 138 ## OptSubtree 187 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.982195 -0.0357459 -0.00730342 -0.184286 -7.21869 7.66765 5.53058 # Removing break before 36 # jumping subtree containing (T0187)L337 jump= -0.357012 -0.736216 0.443532 -0.365799 -26.5237 -76.7974 -5.52072 # generation 26: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.4485 cost/residue, 322 clashes 0.0720587 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 58 ## TwoFragment 12 ## CrossOver 40 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 70 ## JiggleSubtree 145 ## OptSubtree 199 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= 0.598993 -0.315772 0.515597 -0.525029 -30.6825 -28.0132 -29.3922 # jumping subtree containing (T0187)A369 jump= 0.992229 -0.0035905 -0.0231503 0.122201 6.02843 13.2994 -2.96235 # jumping subtree containing (T0187)L301 jump= 0.997395 0.0342642 0.00679369 0.0631049 -17.0076 2.62858 1.16115 # jumping subtree containing (T0187)A369 jump= -0.356219 0.0176404 0.853759 0.379331 -66.3956 41.7557 -29.4912 # generation 27: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.4485 cost/residue, 322 clashes 0.0720587 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 58 ## TwoFragment 12 ## CrossOver 43 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 74 ## JiggleSubtree 149 ## OptSubtree 212 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.840653 0.264811 -0.0996289 -0.461792 -30.466 -36.5663 20.5932 # generation 28: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.2352 cost/residue, 318 clashes 0.0751932 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 60 ## TwoFragment 12 ## CrossOver 44 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 79 ## JiggleSubtree 151 ## OptSubtree 226 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I400 jump= 0.179983 -0.181708 -0.957095 0.136222 -76.5763 27.9881 -35.4834 # Removing break before 36 # jumping subtree containing (T0187)I400 jump= -0.995014 -0.00183566 0.095364 -0.0291559 -16.5859 5.48396 1.91073 # generation 29: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.2352 cost/residue, 318 clashes 0.0751931 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 46 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 83 ## JiggleSubtree 156 ## OptSubtree 246 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= -0.164055 -0.629728 0.0875394 0.754232 -58.2866 16.676 -43.1553 # jumping subtree containing (T0187)P304 jump= -0.0790931 0.316355 0.457198 0.827426 -78.2754 35.6321 14.0451 # jumping subtree containing (T0187)T313 jump= -0.984175 0.0122613 0.0549696 -0.16801 -8.5511 16.9664 2.52534 # jumping subtree containing (T0187)I340 jump= -0.192882 0.414346 0.717761 -0.525294 -87.4522 -29.2246 -72.9686 # jumping subtree containing (T0187)I363 jump= 0.128969 -0.643592 0.170025 -0.735016 -26.3166 -0.984274 22.4977 # generation 30: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.2167 cost/residue, 313 clashes 0.0778201 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 47 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 85 ## JiggleSubtree 164 ## OptSubtree 264 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)C346 jump= 0.465014 -0.277889 -0.821552 0.17774 -70.1238 7.19245 -31.8248 # jumping subtree containing (T0187)A359 jump= -0.981618 -0.0606896 -0.16587 -0.0723205 30.2258 -2.04772 0.870479 # jumping subtree containing (T0187)L301 jump= -0.894903 -0.43849 0.0823985 -0.00927896 0.0906787 -31.9757 31.0759 # jumping subtree containing (T0187)I363 jump= 0.680871 0.687112 -0.24806 0.0525195 9.9247 -15.6787 -60.8844 # jumping subtree containing (T0187)I363 jump= 0.773394 0.447766 -0.447262 -0.0363914 -21.8168 -24.0908 -14.2211 # jumping subtree containing (T0187)C346 jump= 0.126993 0.820935 -0.509462 -0.224469 -64.9343 -33.6898 -58.0079 # jumping subtree containing (T0187)I363 jump= 0.544409 -0.461305 0.439513 0.545568 -8.65544 83.4182 -57.3646 # jumping subtree containing (T0187)T401 jump= -0.578917 -0.376207 -0.668578 0.276274 2.08307 -24.2572 -46.5095 # generation 31: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.2166 cost/residue, 313 clashes 0.0778201 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 51 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 89 ## JiggleSubtree 172 ## OptSubtree 276 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T401 jump= -0.927232 0.0800603 0.20885 0.300354 -14.3419 -20.7541 18.825 # jumping subtree containing (T0187)G352 jump= 0.963147 -0.161721 0.193472 0.0936061 -5.67438 10.636 12.8984 # jumping subtree containing (T0187)G405 jump= -0.752421 0.341271 0.0908608 -0.556005 -85.7953 60.7647 -17.6908 # jumping subtree containing (T0187)G352 jump= 0.113845 -0.18854 -0.524217 -0.822611 -89.1103 -1.44994 10.4981 # jumping subtree containing (T0187)G405 jump= -0.213753 0.945749 0.165211 0.18048 -8.28264 60.5516 -30.892 # generation 32: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.2165 cost/residue, 313 clashes 0.0778201 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 53 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 90 ## JiggleSubtree 177 ## OptSubtree 299 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N409 jump= 0.274793 0.118354 0.854467 -0.424697 -145.57 -16.0216 -80.8049 # jumping subtree containing (T0187)T401 jump= 0.835641 -0.0683067 0.484474 -0.249644 -26.2438 -22.0939 -33.3028 # jumping subtree containing (T0187)N320 jump= 0.165693 0.310938 -0.863493 0.360892 -164.311 -42.3224 43.5063 # jumping subtree containing (T0187)A369 jump= 0.850517 -0.284756 -0.401436 0.185428 -17.2727 8.59578 -12.0916 # jumping subtree containing (T0187)G405 jump= -0.552383 0.136856 -0.0718725 -0.819132 -66.6771 53.6616 -20.4253 # generation 33: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.2165 cost/residue, 313 clashes 0.0778201 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 54 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 94 ## JiggleSubtree 188 ## OptSubtree 312 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing (T0187)I363 jump= -0.998721 0.026461 -0.038958 0.0183776 9.07673 16.4141 -19.0018 # jumping subtree containing (T0187)T401 jump= -0.994862 -0.00433896 0.0216039 0.0988134 28.1251 -7.31064 1.45715 # jumping subtree containing (T0187)A369 jump= 0.829147 -0.261445 0.214944 0.444927 -35.4626 38.5331 -8.63663 # jumping subtree containing (T0187)G405 jump= -0.962891 -0.0638726 0.0891439 0.246606 -21.6914 -13.4669 23.6724 # Removing break before 36 # Removing break before 36 # generation 34: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.2136 cost/residue, 310 clashes 0.0798399 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 54 ## CrossAndInsert 25 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 97 ## JiggleSubtree 191 ## OptSubtree 329 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D358 jump= 0.624358 -0.280296 -0.712932 -0.152772 -79.267 5.60609 79.5173 # jumping subtree containing (T0187)D358 jump= -0.811484 -0.583135 -0.0165037 -0.0342697 -26.6337 7.72201 18.1265 # Removing break before 36 # jumping subtree containing (T0187)T313 jump= -0.712792 -0.662921 -0.175223 0.147518 -26.1342 -44.529 -58.1384 # jumping subtree containing (T0187)G405 jump= 0.990574 0.0757649 -0.02868 0.110459 -24.5135 4.41158 25.1144 # jumping subtree containing (T0187)G352 jump= 0.958428 -0.252805 0.120398 0.0548551 11.3681 41.6186 -17.6593 # jumping subtree containing (T0187)I363 jump= -0.159605 -0.557706 0.78127 -0.230451 -94.0115 -73.8777 54.0288 # generation 35: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.1739 cost/residue, 313 clashes 0.0778201 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 58 ## CrossAndInsert 26 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 99 ## JiggleSubtree 194 ## OptSubtree 344 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D358 jump= -0.867795 -0.0693258 -0.217146 0.441558 -41.3335 -72.5159 -37.969 # Removing break before 36 # Removing break before 36 # jumping subtree containing (T0187)D358 jump= 0.910263 -0.0888684 -0.102016 0.391302 -22.8407 21.7172 -7.79136 # generation 36: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.1739 cost/residue, 313 clashes 0.0778201 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 59 ## CrossAndInsert 26 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 99 ## JiggleSubtree 201 ## OptSubtree 368 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= -0.949078 0.276284 -0.13243 -0.0733576 18.8904 20.1216 -24.1317 # jumping subtree containing (T0187)T313 jump= 0.514949 0.748488 -0.416795 -0.0295915 -64.3633 -52.7602 -55.2807 # jumping subtree containing (T0187)I400 jump= -0.439508 0.368891 0.347566 -0.741586 -79.5279 -45.6327 -70.634 # jumping subtree containing (T0187)T401 jump= 0.852656 0.0307524 0.336291 -0.398674 -10.2435 -86.8652 -64.6293 # jumping subtree containing (T0187)G405 jump= -0.527072 0.385637 -0.62608 0.426032 -75.4324 -108.629 -43.06 # Removing break before 36 # jumping subtree containing (T0187)L337 jump= 0.377046 -0.115164 -0.187258 -0.899727 -153.981 -32.3328 25.8614 # jumping subtree containing (T0187)T401 jump= 0.205822 -0.609769 0.382819 -0.662774 24.0893 -82.1879 -59.9629 # generation 37: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.1738 cost/residue, 313 clashes 0.07782 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 60 ## CrossAndInsert 26 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 101 ## JiggleSubtree 212 ## OptSubtree 386 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T401 jump= -0.686106 -0.555366 0.201157 -0.424692 -43.9608 -62.581 -8.43048 # jumping subtree containing (T0187)A369 jump= 0.838739 -0.0399654 -0.530959 0.114029 -25.0064 21.3343 -14.2151 # jumping subtree containing (T0187)A369 jump= 0.797199 0.376607 0.445757 0.15473 25.8472 -3.45088 -20.8467 # jumping subtree containing (T0187)T401 jump= 0.995352 -0.0353343 -0.0270632 0.085405 -10.9989 16.3455 -20.223 # jumping subtree containing (T0187)T401 jump= -0.974586 0.216789 0.0527643 -0.0200207 -4.99119 9.45667 -40.3466 # jumping subtree containing (T0187)I400 jump= 0.343217 -0.760277 -0.120528 0.538195 -53.3301 -23.481 -69.1119 # jumping subtree containing (T0187)I363 jump= 0.0956691 -0.122203 0.336158 -0.92893 -73.9543 -96.6302 -21.2903 # generation 38: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.1737 cost/residue, 313 clashes 0.07782 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 63 ## CrossAndInsert 26 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 103 ## JiggleSubtree 216 ## OptSubtree 404 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= -0.904443 0.165878 -0.377895 -0.107993 48.7753 19.0602 -57.1895 # jumping subtree containing (T0187)D358 jump= -0.462302 -0.480319 0.0986688 -0.738806 5.11695 -78.1933 -28.1266 # Removing break before 36 # jumping subtree containing (T0187)T401 jump= 0.506993 -0.844295 0.0978191 0.14337 3.53721 -17.7254 -104.255 # generation 39: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.1737 cost/residue, 313 clashes 0.07782 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 63 ## CrossAndInsert 26 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 107 ## JiggleSubtree 221 ## OptSubtree 420 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I400 jump= 0.185517 -0.410917 -0.423225 0.785883 -140.167 -3.88837 -89.3419 # jumping subtree containing (T0187)I363 jump= -0.877987 0.236941 0.299839 0.288262 -9.23777 6.31451 8.73919 # jumping subtree containing (T0187)G405 jump= 0.338292 0.373845 0.795908 0.335157 7.17016 29.7692 -82.9662 # jumping subtree containing (T0187)I400 jump= 0.987848 -0.153334 0.0172388 0.0186419 -19.8454 4.41455 -8.39956 # Removing break before 36 # jumping subtree containing (T0187)G339 jump= 0.66274 -0.0097707 -0.114361 -0.740001 -65.7364 -114.734 1.78366 # generation 40: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.1737 cost/residue, 313 clashes 0.07782 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 67 ## CrossAndInsert 26 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 111 ## JiggleSubtree 223 ## OptSubtree 434 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.971061 0.154055 -0.0271501 -0.180474 2.17016 -62.5992 20.584 # jumping subtree containing (T0187)I363 jump= 0.765828 -0.591515 -0.00638565 0.252146 -36.2432 74.7281 -102.43 # jumping subtree containing (T0187)I363 jump= 0.568452 0.453193 0.0309442 0.685945 -4.82569 8.24909 24.2619 # jumping subtree containing (T0187)I363 jump= 0.889673 0.313811 -0.297316 -0.146992 -78.148 -73.2767 -1.31469 # generation 41: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.1736 cost/residue, 313 clashes 0.0778198 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 73 ## CrossAndInsert 26 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 114 ## JiggleSubtree 224 ## OptSubtree 448 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T404 jump= 0.981739 0.121427 -0.0200055 -0.145063 -10.2183 -16.1704 10.9593 # jumping subtree containing (T0187)I400 jump= 0.982616 0.0217203 -0.18314 -0.0212826 -16.2082 -2.27371 32.8615 # jumping subtree containing (T0187)G405 jump= -0.363801 0.599285 -0.422957 0.57412 -52.4276 -152.125 -40.8453 # jumping subtree containing (T0187)S395 jump= -0.976752 0.0975635 -0.189624 0.0219036 -13.1919 15.9511 -19.4842 # Removing break before 36 # jumping subtree containing (T0187)I363 jump= -0.873155 0.365713 0.182935 0.265307 3.10856 27.8607 -20.977 # Removing break before 36 # generation 42: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.1736 cost/residue, 313 clashes 0.0778198 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 75 ## CrossAndInsert 26 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 121 ## JiggleSubtree 225 ## OptSubtree 462 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 36 # Removing break before 36 # generation 43: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.1736 cost/residue, 313 clashes 0.0778198 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 83 ## CrossAndInsert 26 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 124 ## JiggleSubtree 227 ## OptSubtree 473 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I400 jump= -0.118152 0.833495 -0.500388 -0.202331 -92.0982 -105.677 -176.302 # jumping subtree containing (T0187)A369 jump= 0.422404 0.424636 -0.632564 0.491042 -175.296 -103.083 4.86143 # jumping subtree containing (T0187)I400 jump= -0.712965 0.34444 0.426277 -0.437412 -108.176 85.5478 -34.3598 # generation 44: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.1736 cost/residue, 313 clashes 0.0778198 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 85 ## CrossAndInsert 26 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 130 ## JiggleSubtree 229 ## OptSubtree 488 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= 0.909208 0.198715 0.346459 -0.117555 18.6513 -60.1179 -102.243 # jumping subtree containing (T0187)I363 jump= 0.953626 -0.187927 -0.232742 0.0333445 -23.1195 38.0253 -7.50949 # jumping subtree containing (T0187)I363 jump= -0.64153 -0.386809 0.662405 0.00613683 -131.998 -48.3266 20.3489 # jumping subtree containing (T0187)T313 jump= -0.285305 -0.646959 0.541348 -0.454958 -64.5107 -121.425 -0.282964 # jumping subtree containing (T0187)T313 jump= 0.983306 0.104076 0.0113286 0.148823 -8.58957 9.88788 -21.4046 # jumping subtree containing (T0187)I400 jump= 0.552169 0.0572812 -0.17882 0.812313 -186.231 44.6179 10.7494 # jumping subtree containing (T0187)I363 jump= 0.999554 -0.0203124 -0.0216991 0.00298518 -9.08283 25.0934 -5.40816 # jumping subtree containing (T0187)I400 jump= -0.377457 -0.164279 0.906658 -0.0922505 -237.163 -38.1897 -33.1676 # jumping subtree containing (T0187)I400 jump= -0.766359 0.236579 0.0420406 -0.595783 -110.056 69.2829 -36.2318 # jumping subtree containing (T0187)L337 jump= 0.992783 -0.0301175 -0.0782644 -0.0857268 -15.6175 -14.2864 29.5556 # jumping subtree containing (T0187)T401 jump= -0.881719 0.471602 -0.0104819 -0.00730029 -19.7836 30.4456 -52.1115 # jumping subtree containing (T0187)A369 jump= -0.998914 -0.0112972 -0.0104411 -0.0439725 3.9692 14.7244 -1.61165 # jumping subtree containing (T0187)L301 jump= 0.99437 -0.0289804 0.0173666 0.100428 3.39929 22.389 -22.8512 # generation 45: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.1736 cost/residue, 313 clashes 0.0778198 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 89 ## CrossAndInsert 26 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 136 ## JiggleSubtree 229 ## OptSubtree 502 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.988864 -0.038927 -0.140598 -0.029402 8.23774 5.04132 4.1138 # jumping subtree containing (T0187)I400 jump= 0.175729 0.337143 0.33613 0.861667 -122.262 60.9829 37.6689 # jumping subtree containing (T0187)R325 jump= -0.427624 0.0215199 0.49672 0.754947 -151.344 -46.4335 33.4156 # jumping subtree containing (T0187)G352 jump= -0.0546362 -0.897852 0.436593 0.0162225 -51.6347 -132.761 -75.0736 # jumping subtree containing (T0187)T313 jump= 0.0826342 0.152257 0.548024 -0.818327 -157.8 -91.8734 -57.2147 # jumping subtree containing (T0187)V315 jump= 0.999466 0.00176636 -0.0325839 -0.00174118 -7.21365 11.7621 30.3683 # generation 46: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.1736 cost/residue, 313 clashes 0.0778198 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 94 ## CrossAndInsert 26 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 141 ## JiggleSubtree 229 ## OptSubtree 516 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.803805 0.239785 0.358316 -0.409891 -130.949 68.1522 -19.1223 # jumping subtree containing (T0187)G405 jump= -0.636942 0.762753 0.0701277 0.0871482 10.1553 37.2969 -65.013 # jumping subtree containing (T0187)I363 jump= 0.990385 0.00282411 -0.0549222 0.126935 -13.5421 17.3176 6.36337 # jumping subtree containing (T0187)I363 jump= -0.920036 0.178088 0.336878 0.0912778 -24.4343 10.4218 9.96958 # jumping subtree containing (T0187)I400 jump= -0.93689 0.177381 -0.014891 -0.300918 -37.8425 95.9404 -21.9585 # Removing break before 36 # jumping subtree containing (T0187)C346 jump= 0.999841 0.00804608 -0.0154921 0.0035077 12.3307 13.6462 23.4858 # jumping subtree containing (T0187)T401 jump= -0.831055 -0.530517 -0.127387 0.108033 22.1151 -78.4428 -48.2826 # jumping subtree containing (T0187)I363 jump= -0.0288564 0.00763627 -0.429017 0.902803 -165.025 -100.102 -23.6872 # generation 47: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.1736 cost/residue, 313 clashes 0.0778198 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 101 ## CrossAndInsert 26 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 144 ## JiggleSubtree 229 ## OptSubtree 530 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing (T0187)I400 jump= -0.778601 0.455652 0.361701 0.235232 -34.1603 68.8252 7.58322 # jumping subtree containing (T0187)I363 jump= 0.334888 0.220144 -0.232622 0.886157 -157.824 -53.7952 40.5587 # jumping subtree containing (T0187)I400 jump= 0.419153 -0.325848 -0.771673 -0.350221 -150.853 67.1116 -27.4391 # jumping subtree containing (T0187)I363 jump= -0.962475 -0.131244 -0.223107 -0.08149 -8.77426 -14.0369 -28.197 # generation 48: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.1223 cost/residue, 318 clashes 0.0901695 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 110 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 149 ## JiggleSubtree 229 ## OptSubtree 539 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I400 jump= -0.989136 -0.0795047 0.118844 -0.0341442 -36.4237 -16.3849 42.3095 # jumping subtree containing (T0187)T401 jump= 0.693201 0.105161 0.481319 -0.526066 -55.9907 -101.75 -124.169 # jumping subtree containing (T0187)G405 jump= 0.402107 0.893685 -0.177249 0.0906667 -12.2506 -84.6446 -62.169 # Removing break before 36 # jumping subtree containing (T0187)I400 jump= -0.880488 -0.0673309 0.0313845 -0.468212 -63.7225 54.0319 41.2501 # generation 49: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.1223 cost/residue, 318 clashes 0.0901695 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 117 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 150 ## JiggleSubtree 233 ## OptSubtree 551 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L337 jump= 0.0996664 -0.0166652 0.987145 0.123832 -165.68 -5.75369 -175.712 # jumping subtree containing (T0187)G405 jump= 0.181375 -0.269911 -0.621418 -0.712805 -159.206 58.4607 4.21937 # jumping subtree containing (T0187)I400 jump= 0.553045 -0.249806 -0.108501 0.787379 -166.15 91.5087 -33.2444 # jumping subtree containing (T0187)I363 jump= -0.993232 0.110961 -0.00298362 -0.0341919 0.267204 7.79574 -12.1391 # jumping subtree containing (T0187)G352 jump= 0.546249 0.641538 -0.179915 -0.507613 -101.772 -118.293 -43.6106 # generation 50: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.1223 cost/residue, 318 clashes 0.0901695 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 117 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 152 ## JiggleSubtree 238 ## OptSubtree 576 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.274714 -0.742706 0.450661 -0.412098 -38.1095 -110.907 -91.4032 # jumping subtree containing (T0187)L301 jump= 0.332344 0.233265 0.78871 -0.461597 -121.429 -38.5785 -150.131 # jumping subtree containing (T0187)R325 jump= -0.72101 0.19505 0.385475 -0.541765 -178.718 57.8554 2.99017 # jumping subtree containing (T0187)T404 jump= -0.897863 0.157699 -0.304326 -0.276331 -14.7125 43.2838 -80.2608 # jumping subtree containing (T0187)I363 jump= -0.983298 0.115928 0.0308096 -0.136882 -20.8827 42.6745 -25.6975 # generation 51: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.0353 cost/residue, 319 clashes 0.0830726 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 120 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 157 ## JiggleSubtree 242 ## OptSubtree 590 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.615747 -0.545523 0.0566866 -0.565727 21.8074 -77.8135 -19.2736 # jumping subtree containing (T0187)G405 jump= -0.137351 0.300138 -0.294712 0.89677 -131.381 -114.149 33.4756 # jumping subtree containing (T0187)I363 jump= 0.999647 0.00867117 0.00502149 -0.0246151 -18.2401 4.71255 -19.8115 # jumping subtree containing (T0187)A336 jump= 0.173695 0.899236 0.239202 -0.322471 -39.1748 -72.1676 -164.118 # jumping subtree containing (T0187)G405 jump= 0.999896 -0.00656179 0.00370022 0.0122899 -1.95392 23.0262 -14.5429 # jumping subtree containing (T0187)T313 jump= 0.811259 -0.487533 -0.196144 0.256316 -56.1603 76.5797 -56.3729 # jumping subtree containing (T0187)I363 jump= 0.931051 -0.00904576 0.230856 -0.282432 15.7619 -58.5619 -25.626 # jumping subtree containing (T0187)L301 jump= 0.778314 -0.138676 -0.603016 0.106619 -116.399 52.9799 46.3179 # jumping subtree containing (T0187)C346 jump= -0.340159 -0.703816 -0.110615 0.613758 -76.6688 -107.792 -114.174 # jumping subtree containing (T0187)T313 jump= 0.00213675 0.0261643 -0.996898 -0.0741924 -148.517 -14.182 -96.3214 # generation 52: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.0352 cost/residue, 319 clashes 0.0830729 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 120 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 160 ## JiggleSubtree 250 ## OptSubtree 607 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.860656 -0.451816 -0.0242401 -0.233552 14.9635 -6.4916 -5.68723 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= 0.439427 0.418789 0.686255 0.400716 2.24533 61.4659 -48.7022 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= 0.367907 -0.580801 -0.72534 -0.0345848 -93.4229 77.1264 -52.161 # jumping subtree containing (T0187)D358 jump= 0.836357 -0.446066 -0.146956 -0.282729 -13.9956 24.5971 19.1877 # jumping subtree containing (T0187)D358 jump= -0.976547 0.0948214 -0.132624 0.140625 21.7896 -29.8052 -23.7962 # Removing break before 35 # generation 53: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.0352 cost/residue, 319 clashes 0.0830729 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 120 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 164 ## JiggleSubtree 257 ## OptSubtree 627 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)C346 jump= -0.837751 -0.341987 -0.371923 -0.207104 8.82076 8.60392 -46.3399 # Removing break before 35 # jumping subtree containing (T0187)T401 jump= 0.737818 0.499708 -0.228416 -0.392101 -63.0693 -122.382 -30.7656 # jumping subtree containing (T0187)A336 jump= -0.983843 -0.158746 0.0231148 0.0794831 4.35863 -5.1785 21.7998 # jumping subtree containing (T0187)I363 jump= -0.992715 -0.0986051 -0.0655677 -0.0222548 -11.1447 -0.445712 -20.8667 # jumping subtree containing (T0187)I363 jump= 0.976299 0.081605 -0.19922 0.0221876 -30.1033 5.55295 9.282 # jumping subtree containing (T0187)D358 jump= 0.397647 0.729075 0.016815 -0.556816 -57.3065 -119.175 -76.4705 # jumping subtree containing (T0187)I363 jump= 0.120929 0.0446929 -0.0560141 -0.990071 -188.648 -96.4572 -28.8654 # jumping subtree containing (T0187)I363 jump= 0.776739 -0.451826 0.385909 -0.208817 17.3076 -46.1348 -116.386 # jumping subtree containing (T0187)I363 jump= 0.446428 0.429473 -0.11555 0.776469 -82.2156 -43.4204 51.0983 # generation 54: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.0351 cost/residue, 319 clashes 0.0830729 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 123 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 170 ## JiggleSubtree 257 ## OptSubtree 642 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= 0.825294 0.436423 -0.072678 -0.350917 -67.8852 -102.788 -70.5381 # jumping subtree containing (T0187)G405 jump= -0.951296 0.200558 0.22421 -0.0673944 -46.4066 45.384 16.3226 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= 0.435671 -0.876077 -0.0369285 0.203262 -25.4347 -2.76352 -110.066 # jumping subtree containing (T0187)G405 jump= -0.985403 0.115127 0.124234 -0.0170744 -32.4944 40.0378 27.0688 # jumping subtree containing (T0187)I363 jump= 0.597448 -0.536998 0.268282 0.531708 -76.4831 56.371 -125.48 # generation 55: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.035 cost/residue, 319 clashes 0.0830726 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 125 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 181 ## JiggleSubtree 257 ## OptSubtree 653 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A359 jump= 0.95534 0.203582 0.205438 -0.060621 14.1001 -42.6529 -52.3658 # Removing break before 35 # jumping subtree containing (T0187)C346 jump= 0.955155 0.0445787 -0.219003 0.194238 -32.9553 5.68302 50.8056 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= -0.0268757 0.126383 0.63053 -0.765334 -166.415 -61.1491 -96.3856 # Removing break before 35 # jumping subtree containing (T0187)C346 jump= -0.180192 -0.465386 0.811866 -0.303017 -167.396 -97.1125 -67.6324 # jumping subtree containing (T0187)G405 jump= 0.97303 0.0594499 -0.221534 0.0245192 -25.5867 -31.8251 44.5075 # jumping subtree containing (T0187)I363 jump= 0.99864 -0.00737279 -0.0128547 0.0499912 11.222 2.48591 -14.6067 # jumping subtree containing (T0187)A359 jump= -0.861884 0.15793 -0.426615 -0.224085 -51.4675 44.4237 -106.621 # jumping subtree containing (T0187)N385 jump= -0.840777 -0.00804277 -0.338594 0.422355 -4.76298 -94.1932 -52.644 # generation 56: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.035 cost/residue, 319 clashes 0.0830726 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 133 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 185 ## JiggleSubtree 258 ## OptSubtree 664 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= -0.149361 0.0428069 -0.411224 0.898195 -103.523 -120.334 -40.3625 # jumping subtree containing (T0187)I363 jump= 0.432893 0.541301 0.688585 0.213186 -8.17418 22.0462 -82.684 # Removing break before 35 # jumping subtree containing (T0187)T401 jump= 0.962063 0.251773 -0.00788113 0.104803 -6.63562 -15.9123 -13.3037 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= -0.711135 0.664276 -0.0667306 0.220389 32.4563 -6.21768 -33.2471 # jumping subtree containing (T0187)I363 jump= -0.95262 0.242656 -0.0992991 -0.154185 -1.99007 32.4671 -45.2406 # jumping subtree containing (T0187)I363 jump= 0.937319 -0.111967 -0.328752 0.0286008 -26.7464 -5.82147 20.6563 # jumping subtree containing (T0187)A369 jump= -0.878512 0.400995 0.248233 0.0761566 -2.03809 49.4748 16.5763 # jumping subtree containing (T0187)G405 jump= 0.16939 0.762325 0.0814228 -0.619305 -129.309 -83.106 -141.512 # jumping subtree containing (T0187)T404 jump= 0.921923 -0.22102 -0.215029 -0.234457 -31.4714 -29.8294 46.644 # jumping subtree containing (T0187)I363 jump= 0.00692139 -0.99947 0.00590764 0.0312415 4.49356 -69.3563 -95.2293 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= -0.184479 0.175497 0.467254 -0.846665 -144.364 -50.6362 -50.0161 # jumping subtree containing (T0187)I363 jump= -0.952378 -0.247097 0.143523 -0.106398 -25.1479 -22.6834 2.97588 # generation 57: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.035 cost/residue, 319 clashes 0.0830726 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 135 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 192 ## JiggleSubtree 258 ## OptSubtree 679 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)C346 jump= -0.999671 -0.00882704 -0.0237742 0.00377881 16.0512 6.56805 -14.2713 # jumping subtree containing (T0187)I363 jump= 0.0750817 0.760307 -0.424299 0.486072 -76.4777 -147.233 -9.74357 # jumping subtree containing (T0187)N385 jump= 0.806653 -0.502483 0.211837 0.227918 -12.4743 48.8178 -78.0552 # jumping subtree containing (T0187)G362 jump= 0.881801 0.170953 0.305127 0.316386 8.72017 54.5181 -30.0482 # jumping subtree containing (T0187)A336 jump= 0.857084 0.377785 -0.247074 -0.248273 -75.0069 -107.566 36.3927 # jumping subtree containing (T0187)G405 jump= -0.670734 0.617388 0.0985173 -0.399051 -95.8102 86.4722 -87.4292 # jumping subtree containing (T0187)G405 jump= -0.457543 -0.406198 -0.11958 0.781894 -130.571 -94.7004 -75.1624 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= 0.988243 0.0558808 -0.12472 0.0685389 -6.33266 -23.7795 27.5145 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= -0.2355 -0.445127 0.335848 0.795994 -157.373 -107.366 -51.1213 # jumping subtree containing (T0187)A369 jump= -0.902793 0.326127 0.279678 0.0196614 -40.3006 40.9924 -13.9062 # jumping subtree containing (T0187)A369 jump= 0.999599 -0.0140578 0.0069875 -0.0235531 18.8746 11.8923 -2.97637 # generation 58: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.035 cost/residue, 319 clashes 0.0830726 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 63 ## TwoFragment 12 ## CrossOver 142 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 195 ## JiggleSubtree 259 ## OptSubtree 692 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.309439 0.278068 0.0661901 -0.906942 -184.857 -128.113 -69.0571 # Removing break before 35 # jumping subtree containing (T0187)Q327 jump= -0.864778 -0.280944 0.269075 -0.317535 -44.8421 -2.1752 56.8167 # jumping subtree containing (T0187)I363 jump= 0.0717541 -0.576008 -0.814108 -0.0171523 -121.973 90.4379 -111.805 # jumping subtree containing (T0187)I363 jump= 0.670088 -0.569987 0.00492258 -0.475471 12.2949 -38.6109 3.91758 # jumping subtree containing (T0187)G352 jump= -0.312111 -0.414772 -0.364609 -0.773053 -112.501 35.1857 32.8652 # jumping subtree containing (T0187)I363 jump= 0.840924 0.173941 0.501012 -0.107601 6.04622 -32.1723 -111.903 # generation 59: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 72.015 cost/residue, 317 clashes 0.0907027 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 64 ## TwoFragment 12 ## CrossOver 147 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 199 ## JiggleSubtree 259 ## OptSubtree 706 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= 0.138998 -0.29413 -0.377045 -0.867182 -148.202 -32.6876 59.0128 # Removing break before 35 # jumping subtree containing (T0187)G352 jump= 0.613461 -0.771153 0.00401061 0.170213 -7.2091 42.3483 -134.48 # jumping subtree containing (T0187)I363 jump= -0.937142 -0.256519 0.0855965 -0.220538 -37.2836 -3.21613 49.6581 # jumping subtree containing (T0187)A359 jump= -0.99988 -0.00761695 -0.0100523 -0.00898903 5.06551 9.78116 -23.8769 # Removing break before 35 # jumping subtree containing (T0187)G352 jump= 0.911398 0.084577 -0.400239 0.044823 -79.2469 -34.3036 42.0838 # jumping subtree containing (T0187)I363 jump= -0.561304 -0.618398 -0.446248 0.321533 -18.4998 -90.0984 -127.177 # jumping subtree containing (T0187)I363 jump= 0.0572946 0.332902 0.157976 0.927867 -150.669 -22.3027 66.743 # jumping subtree containing (T0187)G405 jump= 0.616008 0.201498 0.563021 0.512777 -112.558 80.3311 -38.4375 # jumping subtree containing (T0187)S395 jump= -0.996075 0.03772 0.0111605 0.079295 0.497265 -2.37362 25.1705 # Removing break before 35 # generation 60: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8885 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 65 ## TwoFragment 12 ## CrossOver 150 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 204 ## JiggleSubtree 265 ## OptSubtree 715 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N385 jump= -0.999978 0.005155 0.000254246 0.00425828 -21.8851 -15.653 10.1777 # Removing break before 35 # jumping subtree containing (T0187)T313 jump= -0.264005 0.764215 0.543804 0.224844 -47.5493 99.8772 -31.5276 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= 0.308042 -0.0954897 -0.63179 -0.704864 -157.314 -17.3077 36.1477 # Removing break before 35 # jumping subtree containing (T0187)C346 jump= -0.505883 -0.42029 0.542075 0.523061 -186.47 -117.256 13.2463 # Removing break before 35 # jumping subtree containing (T0187)T404 jump= 0.88212 -0.135003 0.199264 0.404884 -65.3369 85.0951 -43.1059 # jumping subtree containing (T0187)G405 jump= 0.218551 -0.244592 -0.743153 -0.583209 -174.672 12.4349 49.0313 # jumping subtree containing (T0187)C346 jump= -0.0123467 -0.0907627 0.858657 -0.504299 -229.902 -87.3308 -110.032 # jumping subtree containing (T0187)N385 jump= 0.43326 -0.185265 0.062017 0.879839 -185.02 62.2421 -71.5164 # jumping subtree containing (T0187)I363 jump= -0.310393 0.143374 -0.0200048 -0.939521 -196.765 3.47174 -29.8854 # jumping subtree containing (T0187)G352 jump= -0.158596 -0.285004 0.883863 -0.335271 -167.038 -70.9611 -60.8017 # Removing break before 35 # generation 61: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8885 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 151 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 205 ## JiggleSubtree 272 ## OptSubtree 738 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)T357 jump= 0.313753 -0.901297 0.188755 0.231505 -52.1936 -28.3037 -164.681 # jumping subtree containing (T0187)C346 jump= 0.986374 -0.0111903 0.117955 -0.114144 34.4927 -28.197 -36.5728 # jumping subtree containing (T0187)T401 jump= -0.05129 0.979779 -0.0873106 0.172565 14.4373 -77.6316 -49.3698 # jumping subtree containing (T0187)N385 jump= 0.614538 0.257028 0.120683 -0.736013 -121 -138.26 -62.472 # jumping subtree containing (T0187)T404 jump= -0.973468 -0.0834908 0.212875 0.00860673 3.15343 -10.7469 48.3699 # jumping subtree containing (T0187)I363 jump= -0.897058 -0.315043 -0.201573 -0.23538 -20.8871 22.0346 -21.1714 # jumping subtree containing (T0187)N385 jump= -0.979372 0.0714232 -0.127263 -0.13976 3.88442 52.9854 -39.2167 # jumping subtree containing (T0187)G405 jump= -0.249724 -0.527926 0.139688 -0.799637 -125.184 -51.1936 83.7804 # generation 62: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8885 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 151 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 208 ## JiggleSubtree 280 ## OptSubtree 761 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A359 jump= -0.841698 0.301226 -0.381257 -0.235479 -3.70745 33.4047 -105.423 # jumping subtree containing (T0187)I363 jump= 0.557775 -0.0910362 0.820774 -0.0832381 -62.9525 -47.8123 -200.601 # jumping subtree containing (T0187)L301 jump= 0.992047 -0.0553464 0.0328912 0.108159 -4.17513 6.19368 -23.6308 # Removing break before 35 # jumping subtree containing (T0187)L301 jump= 0.785243 -0.600995 -0.00439961 -0.148924 32.6902 21.2991 -37.2444 # jumping subtree containing (T0187)G405 jump= 0.113136 -0.980585 0.0325221 -0.156827 -9.88185 -24.6821 -35.5417 # jumping subtree containing (T0187)I363 jump= -0.479562 0.226436 -0.598583 -0.600371 -165.907 59.0827 -93.562 # jumping subtree containing (T0187)T313 jump= 0.4007 -0.384442 -0.487291 0.673937 -192.809 72.9687 -86.7598 # jumping subtree containing (T0187)N385 jump= 0.838743 0.28641 -0.416138 0.203247 -89.3397 -5.46685 43.2028 # jumping subtree containing (T0187)I363 jump= 0.899822 0.15057 0.137313 0.385738 -43.4289 24.5537 -14.9941 # jumping subtree containing (T0187)N385 jump= -0.999389 0.0311582 -0.00120526 -0.0157988 -15.2173 13.895 -26.2451 # jumping subtree containing (T0187)I363 jump= 0.38461 -0.489727 0.782459 0.000546551 -84.0296 -69.4252 -134.613 # generation 63: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 152 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 217 ## JiggleSubtree 285 ## OptSubtree 770 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.894906 -0.374618 -0.0876817 0.226089 -69.6841 79.8206 -47.3644 # jumping subtree containing (T0187)G352 jump= 0.634114 0.616183 -0.345257 -0.314667 -84.887 -141.844 -8.21681 # jumping subtree containing (T0187)A336 jump= -0.563735 0.803558 0.0800932 0.173443 19.3661 -5.10594 -55.6025 # Removing break before 35 # jumping subtree containing (T0187)T313 jump= -0.300756 -0.551303 0.586424 0.511583 -189.197 -90.3339 -85.2946 # jumping subtree containing (T0187)I363 jump= 0.777259 -0.627384 -0.0381186 -0.0283833 3.44775 40.5527 -75.1457 # jumping subtree containing (T0187)N385 jump= 0.238132 0.385335 0.479149 -0.751815 -151.211 -69.9672 -144.23 # Removing break before 35 # generation 64: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859384 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 155 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 223 ## JiggleSubtree 289 ## OptSubtree 781 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= -0.851724 -0.0164608 0.500247 -0.155071 -91.2478 3.23207 74.3158 # Removing break before 35 # jumping subtree containing (T0187)S395 jump= 0.94057 -0.105193 -0.240892 0.21502 -26.0741 52.7913 49.4982 # jumping subtree containing (T0187)E341 jump= 0.432793 0.527747 -0.384412 0.621611 -134.475 -67.71 82.9678 # jumping subtree containing (T0187)I363 jump= -0.788993 -0.0312392 -0.613054 -0.0260573 -29.8237 14.5865 -129.814 # jumping subtree containing (T0187)I363 jump= -0.359909 -0.607073 -0.694609 -0.139452 -2.51797 58.3727 -131.54 # generation 65: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859384 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 158 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 231 ## JiggleSubtree 295 ## OptSubtree 788 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)N385 jump= -0.937171 0.21644 -0.270386 0.0418918 37.8806 0.658483 -71.2578 # jumping subtree containing (T0187)A336 jump= -0.682999 0.130065 -0.320236 -0.643462 -119.906 117.495 -83.1957 # jumping subtree containing (T0187)E312 jump= 0.33573 0.844188 -0.371477 0.191407 -52.6853 -106.124 -11.5281 # jumping subtree containing (T0187)G405 jump= 0.807641 6.40395e-05 -0.568469 -0.156712 -87.5415 -33.6612 77.4297 # jumping subtree containing (T0187)I363 jump= 0.594387 -0.26274 -0.103179 -0.753011 -64.5286 -101.891 10.824 # jumping subtree containing (T0187)L392 jump= -0.283217 -0.456191 0.643598 -0.545398 -165.571 -99.3448 48.1459 # jumping subtree containing (T0187)D358 jump= 0.998662 0.0065553 -0.00248157 0.051233 0.165811 -12.6598 -14.332 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)A359 jump= 0.0530752 -0.363038 -0.645017 0.670328 -167.107 -57.6848 -155.32 # Removing break before 35 # generation 66: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859384 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 164 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 237 ## JiggleSubtree 297 ## OptSubtree 798 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= -0.518005 0.336612 -0.64429 0.450837 -42.2953 -109.793 -156.558 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= -0.9696 0.194518 -0.14714 0.0196974 20.5176 19.9955 -46.4271 # jumping subtree containing (T0187)I363 jump= 0.0430092 -0.909023 0.350325 -0.221582 -17.1842 -105.285 -90.7364 # jumping subtree containing (T0187)A369 jump= 0.586071 -0.221157 0.0724607 0.776118 -178.509 80.2308 -50.653 # jumping subtree containing (T0187)I363 jump= 0.847118 -0.0702897 0.503961 0.153213 -14.0035 24.5757 -107.581 # jumping subtree containing (T0187)A369 jump= 0.981398 -0.110075 0.0625613 -0.144316 13.8425 -15.5 3.94283 # jumping subtree containing (T0187)G405 jump= 0.717217 -0.49558 0.37791 0.311743 -60.144 18.8674 -122.18 # Removing break before 35 # Removing break before 35 # generation 67: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 168 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 247 ## JiggleSubtree 297 ## OptSubtree 808 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.997299 0.0414737 0.0254014 0.0550433 16.8152 4.53346 2.51166 # jumping subtree containing (T0187)D387 jump= -0.595724 0.677405 0.248236 0.353008 -7.69047 0.538 15.7412 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= -0.425823 -0.614092 0.0525404 0.662423 -93.8063 -111.235 -108.683 # jumping subtree containing (T0187)I363 jump= -0.838333 0.295789 -0.45006 -0.0845736 -14.2698 29.2326 -151.536 # jumping subtree containing (T0187)G405 jump= -0.61355 -0.550893 -0.1011 -0.556644 -64.1112 32.7683 49.6282 # jumping subtree containing (T0187)I363 jump= -0.803476 0.0749569 -0.588616 0.048368 -27.0542 -19.8826 -135.924 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)S395 jump= -0.92833 0.214678 0.20138 0.227074 -20.64 -24.7828 51.8967 # jumping subtree containing (T0187)I363 jump= 0.300524 0.674841 0.547682 -0.392836 -57.3619 -64.7112 -189.399 # generation 68: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 175 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 251 ## JiggleSubtree 297 ## OptSubtree 821 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.176066 -0.283778 -0.644093 -0.688197 -177.464 49.9108 -3.64066 # jumping subtree containing (T0187)I363 jump= 0.980323 0.161097 0.0629069 0.0951715 19.7275 10.2854 9.74903 # jumping subtree containing (T0187)A359 jump= -0.3126 0.25059 -0.76138 -0.509692 -168.335 16.6653 -102.844 # Removing break before 35 # jumping subtree containing (T0187)P403 jump= -0.639372 0.504885 0.396091 0.423563 -41.1885 11.8278 83.7453 # jumping subtree containing (T0187)I363 jump= -0.369052 -0.912934 0.174151 -0.00491758 -31.7413 -149.531 -66.7488 # jumping subtree containing (T0187)G362 jump= 0.955505 -0.230525 0.102346 0.152952 -17.8224 45.3667 -37.3816 # Removing break before 35 # generation 69: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 177 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 260 ## JiggleSubtree 297 ## OptSubtree 834 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G352 jump= 0.604789 0.580865 0.0103328 0.544719 -11.383 -14.4585 24.7403 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= -0.999996 -0.00105032 0.00213193 0.00159726 3.76888 21.9104 8.9177 # jumping subtree containing (T0187)T313 jump= -0.973503 -0.225379 0.0264181 -0.028238 -9.1369 -35.6791 3.53226 # jumping subtree containing (T0187)L301 jump= -0.987755 -0.155834 0.00484531 0.00572164 -0.730344 -14.8717 4.08893 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= 0.655804 0.693514 0.281525 0.0985018 4.83782 27.26 -51.6559 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= 0.995983 -0.0582289 0.062545 0.0267323 10.9031 34.6199 -14.4124 # jumping subtree containing (T0187)E312 jump= 0.765428 0.125428 0.0296778 0.630482 -81.2653 64.6192 -13.1155 # generation 70: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 186 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 270 ## JiggleSubtree 297 ## OptSubtree 839 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G352 jump= -0.579377 -0.145984 0.194828 -0.777851 -144.654 36.9281 16.7599 # jumping subtree containing (T0187)G405 jump= 0.242845 -0.648763 -0.651817 0.308655 -96.3544 69.7825 -74.8401 # jumping subtree containing (T0187)G352 jump= -0.565044 -0.130784 -0.575432 -0.576628 -105.047 100.572 -67.6573 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= 0.974218 -0.138533 -0.0398936 0.173539 -18.6116 40.2567 -31.9391 # Removing break before 35 # jumping subtree containing (T0187)L392 jump= 0.416803 -0.596972 0.635822 0.256182 -86.7898 -50.2629 -150.138 # jumping subtree containing (T0187)I363 jump= -0.654346 0.333957 0.678321 0.0136077 -106.151 73.8169 6.35096 # jumping subtree containing (T0187)I363 jump= -0.737005 0.576407 0.0837608 -0.342875 -65.0874 53.7548 -106.498 # jumping subtree containing (T0187)I363 jump= -0.261611 0.485287 -0.245376 0.7974 -86.2969 -147.855 12.7868 # jumping subtree containing (T0187)N385 jump= -0.785809 -0.0637843 0.543934 0.287352 -136.38 -50.4623 70.6511 # Removing break before 35 # jumping subtree containing (T0187)D358 jump= 0.951197 -0.292509 0.0981783 -0.00488093 4.67328 11.925 -55.8785 # Removing break before 35 # Removing break before 35 # Removing break before 35 # generation 71: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 191 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 274 ## JiggleSubtree 297 ## OptSubtree 854 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)T313 jump= 0.852043 0.0379119 0.475231 -0.216198 -16.583 -45.6958 -104.194 # Removing break before 35 # jumping subtree containing (T0187)A374 jump= -0.999999 -0.000816616 -0.00138996 -0.000515372 9.01994 25.6047 -4.43455 # Removing break before 35 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)T368 jump= 0.843404 -0.389587 0.36961 0.016771 15.8803 17.2455 -101.011 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= 0.861732 -0.179257 -0.341668 0.329467 -105.671 34.288 11.9471 # generation 72: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 197 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 281 ## JiggleSubtree 297 ## OptSubtree 865 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= 0.097386 0.78733 0.349599 -0.498406 -128.71 -2.44802 -178.993 # jumping subtree containing (T0187)I363 jump= -0.713795 -0.108041 0.0604275 0.689328 -75.3675 -124.914 -21.502 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= 0.60779 0.265122 -0.742702 0.0932517 -158.193 -49.4452 66.1032 # jumping subtree containing (T0187)N385 jump= 0.611209 -0.296134 -0.730867 -0.0675354 -125.592 65.6882 20.0583 # Removing break before 35 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)T401 jump= 0.226451 -0.798505 -0.278387 -0.483332 -26.6171 36.5394 36.2939 # jumping subtree containing (T0187)I363 jump= 0.653425 -0.699662 -0.227321 -0.178421 6.99542 16.8093 -41.0588 # generation 73: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 203 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 286 ## JiggleSubtree 297 ## OptSubtree 878 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G352 jump= 0.950799 -0.185941 0.235336 -0.0776126 10.6866 15.2745 -57.8965 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)G352 jump= -0.998332 -0.0499125 -0.0290321 -0.000243651 8.44016 -24.4982 -24.2218 # generation 74: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 213 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 291 ## JiggleSubtree 297 ## OptSubtree 887 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= -0.817083 -0.263426 -0.487297 -0.159758 9.43965 32.1948 -102.204 # jumping subtree containing (T0187)I363 jump= 0.89168 0.172606 0.329138 0.258421 -9.04328 17.2227 -39.5129 # jumping subtree containing (T0187)T404 jump= 0.0253099 -0.262737 0.918898 -0.293181 -200.253 -62.2408 -55.3304 # Removing break before 35 # Removing break before 35 # generation 75: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 219 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 299 ## JiggleSubtree 297 ## OptSubtree 897 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= 0.991839 0.0552145 -0.0823517 0.0801607 -12.4727 22.2734 16.381 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= 0.99776 0.0164796 0.0621776 0.018362 8.58222 -18.9971 -29.0363 # jumping subtree containing (T0187)A369 jump= 0.449137 0.765841 -0.44132 -0.130384 -91.2171 -159.003 -55.4399 # jumping subtree containing (T0187)I363 jump= 0.90118 -0.317956 -0.0440621 0.291268 -64.2925 52.9897 -47.9046 # jumping subtree containing (T0187)I363 jump= -0.118059 -0.463057 0.866328 -0.145314 -202.062 -107.001 -98.2014 # jumping subtree containing (T0187)G405 jump= -0.551649 -0.624964 0.22493 0.504489 -98.6637 -150.483 -49.6204 # jumping subtree containing (T0187)L301 jump= 0.634331 0.0122764 -0.696974 -0.334216 -152.041 -33.0106 56.4908 # jumping subtree containing (T0187)L301 jump= 0.980463 0.0221388 0.140848 0.135511 28.0216 36.724 -29.2937 # Removing break before 35 # generation 76: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 226 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 305 ## JiggleSubtree 297 ## OptSubtree 908 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= -0.213917 0.91754 0.244625 -0.229171 -55.7543 -4.70328 -145.885 # jumping subtree containing (T0187)I363 jump= 0.920539 -0.32748 -0.195939 -0.0835051 -13.9443 13.9468 13.0742 # jumping subtree containing (T0187)I363 jump= 0.539517 -0.0598239 0.725492 -0.423089 -45.5111 -112.411 -153.47 # jumping subtree containing (T0187)T404 jump= 0.508491 -0.823806 0.236772 -0.0819762 4.5446 -71.438 -87.6225 # jumping subtree containing (T0187)T313 jump= 0.832174 -0.090158 0.480727 0.261264 -20.6967 61.9681 -98.7795 # jumping subtree containing (T0187)I363 jump= -0.0869669 0.480333 -0.831522 0.265121 -169.327 -127.223 -141.127 # jumping subtree containing (T0187)I363 jump= 0.986852 -0.0634198 -0.147856 0.0155061 -38.3024 -5.20116 31.5551 # jumping subtree containing (T0187)A369 jump= 0.755454 -0.385794 0.302264 0.434844 -72.4254 79.6012 -136.331 # jumping subtree containing (T0187)I363 jump= -0.999407 0.0184958 -0.0204201 0.0206325 -21.4537 0.511873 9.00079 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= -0.864385 -0.476973 -0.105509 -0.119174 1.62584 20.0609 -1.89004 # jumping subtree containing (T0187)N385 jump= 0.25833 -0.664862 0.362625 0.599773 -135.896 -10.2311 -139.449 # jumping subtree containing (T0187)N385 jump= 0.477014 0.0165581 -0.0113308 -0.878666 -132.06 -110.374 9.56436 # jumping subtree containing (T0187)E312 jump= 0.983035 -0.0119529 0.141393 0.11622 32.0715 13.4415 -26.7325 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= -0.743376 -0.453254 0.263253 0.415513 -86.2821 -142.8 -16.2938 # generation 77: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 232 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 312 ## JiggleSubtree 297 ## OptSubtree 919 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= -0.894422 -0.291247 -0.323295 -0.103268 4.01001 18.3781 -41.0312 # jumping subtree containing (T0187)T401 jump= 0.982912 0.00753007 -0.0299642 0.181463 5.0751 48.4203 9.63771 # jumping subtree containing (T0187)I363 jump= -0.0736184 -0.947381 -0.311454 -0.00679681 -0.796576 -12.423 -151.913 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= 0.996041 -0.0556787 0.0608093 -0.0332413 12.6015 -12.5185 -25.0155 # generation 78: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 241 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 319 ## JiggleSubtree 297 ## OptSubtree 927 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)D358 jump= 0.898926 0.382947 0.0904612 0.192615 -0.407296 -22.3731 28.6847 # jumping subtree containing (T0187)G405 jump= -0.98739 -0.143275 -0.0447773 0.0502737 -7.67387 -23.9477 -25.4008 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= -0.963256 -0.102032 -0.101936 0.226576 20.6619 -51.3679 -6.31753 # jumping subtree containing (T0187)E312 jump= 0.396153 0.386506 0.740559 -0.381115 -106.954 -24.8469 -183.478 # jumping subtree containing (T0187)I363 jump= 0.915656 0.11678 -0.251072 -0.291374 -31.6738 -63.5564 38.9045 # jumping subtree containing (T0187)G362 jump= -0.957757 -0.236037 0.0409372 -0.159096 -41.6053 -11.4672 9.78862 # jumping subtree containing (T0187)T401 jump= -0.876826 -0.440776 -0.0049749 -0.192012 -24.1429 12.5952 21.6124 # jumping subtree containing (T0187)G362 jump= 0.149803 0.103091 0.540622 0.821376 -168.225 40.7278 -8.03753 # jumping subtree containing (T0187)I363 jump= -0.112066 0.80542 -0.0177478 0.581743 -2.23084 -101.939 -11.3101 # jumping subtree containing (T0187)A369 jump= 0.583328 0.585321 -0.0712817 -0.558612 -68.9189 -153.228 -53.5793 # generation 79: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 249 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 323 ## JiggleSubtree 297 ## OptSubtree 939 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= -0.665386 0.417143 -0.0448994 0.617444 -25.3758 -99.4778 -13.0782 # jumping subtree containing (T0187)E312 jump= -0.679306 0.0312326 -0.728789 0.0802124 -56.4757 -11.8128 -164.967 # jumping subtree containing (T0187)A359 jump= 0.854471 -0.136097 -0.369706 -0.338635 -50.5211 -22.4634 35.9571 # jumping subtree containing (T0187)I363 jump= -0.126311 0.260371 0.743027 0.60346 -155.435 65.6566 -7.03181 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)S395 jump= -0.997483 1.95985e-05 -0.0160725 -0.0690606 -14.507 24.3418 -12.686 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= -0.855832 0.108473 0.227926 0.451481 -46.5735 -94.8082 64.4791 # jumping subtree containing (T0187)G405 jump= 0.985132 -0.0955726 0.096917 0.104825 -8.83094 39.3243 -37.8277 # jumping subtree containing (T0187)I363 jump= 0.00623287 0.787922 -0.425343 -0.445223 -148.134 -111.441 -146.231 # generation 80: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 255 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 332 ## JiggleSubtree 297 ## OptSubtree 948 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)T404 jump= -0.582497 -0.312564 -0.303753 -0.686101 -120.118 60.5836 27.6587 # jumping subtree containing (T0187)I363 jump= 0.175807 0.361639 0.913314 0.0645527 -124.876 44.3705 -161.981 # jumping subtree containing (T0187)N385 jump= -0.998139 0.0180246 0.0134571 0.0566822 9.13789 -4.99279 -19.9439 # Removing break before 35 # jumping subtree containing (T0187)E377 jump= -0.21897 0.92006 -0.10455 0.30759 3.36446 -57.3302 -49.8141 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= -0.363777 0.100582 -0.533155 0.757163 -91.7314 -150.899 -111.897 # jumping subtree containing (T0187)A336 jump= -0.795053 0.499736 -0.333356 -0.0838388 -12.1412 28.2698 -132.303 # jumping subtree containing (T0187)I363 jump= 0.935908 -0.15334 0.217303 -0.230962 3.03427 -56.8218 -65.4945 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= -0.397655 0.387607 -0.0510183 0.830077 -64.7954 -125.101 18.403 # generation 81: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 263 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 340 ## JiggleSubtree 297 ## OptSubtree 956 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= -0.96044 -0.228275 -0.148233 0.0589318 3.34948 -32.5104 -46.7218 # jumping subtree containing (T0187)G405 jump= 0.228 -0.587406 0.121824 0.766895 -181.657 -25.7294 -128.331 # jumping subtree containing (T0187)I363 jump= -0.0716981 -0.709753 -0.0820204 0.695976 -150.907 -95.8216 -146.453 # jumping subtree containing (T0187)I363 jump= 0.926932 -0.287554 -0.0853949 -0.225428 16.1644 11.1906 -19.2563 # jumping subtree containing (T0187)L301 jump= 0.658767 -0.697264 0.0323848 0.280714 -36.9655 68.5056 -80.9017 # jumping subtree containing (T0187)L301 jump= 0.0172691 0.943138 0.331949 -0.00177129 -39.8817 28.7229 -99.5618 # Removing break before 35 # jumping subtree containing (T0187)L301 jump= -0.942786 -0.294787 0.0869924 0.129183 -26.2356 -36.5822 2.75519 # generation 82: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8884 cost/residue, 321 clashes 0.0859385 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 66 ## TwoFragment 12 ## CrossOver 274 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 345 ## JiggleSubtree 297 ## OptSubtree 964 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)N385 jump= 0.938236 -0.132412 0.315413 -0.0519176 2.45174 5.00334 -92.9093 # jumping subtree containing (T0187)I363 jump= 0.084766 0.247414 0.948738 0.177475 -131.039 70.4456 -97.1542 # jumping subtree containing (T0187)A369 jump= -0.993134 0.111784 0.0313859 -0.0143015 -8.09137 36.5211 2.27097 # jumping subtree containing (T0187)A336 jump= -0.987137 0.134002 0.087129 0.00366066 3.76264 15.3818 14.4383 # jumping subtree containing (T0187)G405 jump= 0.39756 -0.822907 0.059499 0.401535 -59.9503 -13.5437 -124.077 # jumping subtree containing (T0187)I363 jump= 0.966475 0.126459 0.18371 -0.127219 46.0097 -55.5294 -26.6615 # Removing break before 35 # generation 83: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 282 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 349 ## JiggleSubtree 297 ## OptSubtree 975 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N385 jump= -0.172928 0.09769 -0.395789 -0.896607 -197.995 15.7918 -19.5321 # Removing break before 35 # Removing break before 35 # Removing break before 35 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)L301 jump= -0.96898 0.000425354 0.0889684 0.230568 1.09853 -43.9749 42.2072 # jumping subtree containing (T0187)I363 jump= 0.887967 -0.228027 0.144217 0.372452 -62.1641 51.3714 -60.952 # jumping subtree containing (T0187)I363 jump= 0.991042 -0.0762789 0.0305306 -0.105284 7.03281 -34.0992 -16.9829 # generation 84: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 288 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 353 ## JiggleSubtree 300 ## OptSubtree 986 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.534672 -0.247798 -0.666097 -0.457205 -126.478 16.6086 53.9578 # Removing break before 35 # jumping subtree containing (T0187)T313 jump= 0.997702 -0.0311018 -0.0300597 0.0521463 -2.80195 19.2217 -8.40615 # jumping subtree containing (T0187)I363 jump= -0.999756 -0.00504691 -0.0202598 0.00722983 17.7918 -5.21663 3.97172 # Removing break before 78 # jumping subtree containing (T0187)N385 jump= 0.958905 -0.131847 0.244904 -0.0560257 2.24807 6.17555 -44.7023 # generation 85: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 290 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 359 ## JiggleSubtree 311 ## OptSubtree 1001 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.996573 -0.0805524 0.0184464 -0.00356313 -8.66989 -18.2437 -5.60763 # jumping subtree containing (T0187)I363 jump= -0.772153 0.120985 -0.500046 0.372957 7.91324 -105.168 -118.675 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)E312 jump= 0.658393 -0.0543696 0.651997 -0.372106 -51.5418 -76.7943 -118.401 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)I363 jump= -0.628052 0.270932 -0.330766 0.650185 -36.5094 -129.612 -74.8884 # jumping subtree containing (T0187)T313 jump= -0.899056 0.293516 -0.14996 -0.2882 -21.9361 59.3586 -85.2679 # Removing break before 35 # jumping subtree containing (T0187)T313 jump= -0.341521 -0.244446 0.842213 0.338063 -181.59 -58.3313 11.6456 # Removing break before 78 # Removing break before 35 # generation 86: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 297 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 366 ## JiggleSubtree 312 ## OptSubtree 1013 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # jumping subtree containing (T0187)I363 jump= 0.141539 -0.566574 -0.81064 0.0426994 -99.7936 63.223 -127.271 # jumping subtree containing (T0187)I363 jump= -0.812651 0.118511 -0.314446 0.476106 10.3423 -86.1957 -55.7224 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= -0.45791 0.194454 -0.618327 0.608423 -150.382 -150.992 -94.1502 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)I363 jump= 0.957662 0.195955 -0.102522 0.184324 -26.4298 -25.0443 46.2285 # jumping subtree containing (T0187)I363 jump= 0.837781 0.416246 0.0067364 0.353296 -24.1605 -18.1074 13.3873 # jumping subtree containing (T0187)P304 jump= 0.588056 0.00519939 0.342372 0.732765 -109.613 94.0847 -55.6381 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)I363 jump= -0.704564 0.541847 -0.295565 -0.350189 -78.1266 36.5048 -153.073 # jumping subtree containing (T0187)I363 jump= 0.889689 -0.269409 0.295049 0.220947 -39.1964 48.8395 -90.8421 # jumping subtree containing (T0187)A359 jump= -0.904892 -0.412313 -0.0861702 -0.0611868 6.56303 -47.4356 11.0335 # jumping subtree containing (T0187)A369 jump= 0.0219326 -0.427981 0.081512 -0.899837 -136.404 -83.7881 62.0316 # generation 87: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 303 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 377 ## JiggleSubtree 312 ## OptSubtree 1020 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= 0.404278 -0.271743 0.506158 -0.711701 -58.1983 -134.611 -61.1162 # jumping subtree containing (T0187)I363 jump= -0.968299 -0.101442 -0.110952 -0.199489 -23.6873 26.909 -3.76449 # jumping subtree containing (T0187)K394 jump= -0.420603 -0.0870938 -0.879318 -0.205689 -167.772 65.1666 -132.659 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)G405 jump= 0.777521 -0.207378 0.55548 0.209519 -68.4132 25.9276 -142.474 # jumping subtree containing (T0187)G405 jump= 0.993722 0.0619813 -0.0648477 0.066863 -1.89054 -6.24333 4.97423 # jumping subtree containing (T0187)I363 jump= -0.0670415 -0.700957 0.091311 -0.704149 -24.8488 -91.8121 19.2358 # jumping subtree containing (T0187)I363 jump= 0.798123 0.069539 0.583453 -0.133216 -0.685153 -22.9797 -150.631 # jumping subtree containing (T0187)I363 jump= 0.036639 0.838384 0.145201 0.524105 10.1043 -17.9785 -25.245 # jumping subtree containing (T0187)I363 jump= 0.81628 -0.0206954 -0.50413 0.28127 -117.652 29.2546 40.9668 # jumping subtree containing (T0187)I363 jump= 0.92647 0.320187 -0.149516 -0.129534 -34.8256 -48.5485 25.4662 # Removing break before 78 # jumping subtree containing (T0187)T313 jump= -0.850403 -0.137877 0.211775 -0.461473 -84.8486 52.8989 35.1591 # generation 88: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 312 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 384 ## JiggleSubtree 312 ## OptSubtree 1028 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.210606 -0.752545 -0.621666 0.0534056 -56.2986 104.021 -61.2827 # jumping subtree containing (T0187)G405 jump= 0.373385 -0.31389 -0.152431 0.859547 -199.756 38.9402 -64.9244 # jumping subtree containing (T0187)I363 jump= 0.785736 0.458927 -0.38357 0.157731 -60.0004 -71.1787 44.1715 # Removing break before 78 # jumping subtree containing (T0187)I363 jump= 0.459408 -0.00440628 -0.644183 0.611517 -213.624 -8.13675 -9.08033 # jumping subtree containing (T0187)A359 jump= 0.925211 -0.303946 0.156401 -0.164747 38.6318 0.928707 -67.3906 # jumping subtree containing (T0187)L301 jump= 0.952799 -0.115794 0.028242 -0.279229 -29.3739 -44.144 -13.9769 # jumping subtree containing (T0187)I363 jump= 0.821646 -0.17042 -0.543854 0.00880506 -108.662 25.6649 25.3205 # jumping subtree containing (T0187)A369 jump= 0.817778 0.383309 -0.171027 0.393781 -84.6118 4.9293 48.4609 # generation 89: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 317 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 397 ## JiggleSubtree 312 ## OptSubtree 1034 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= 0.56996 -0.517732 -0.635432 0.057667 -114.908 106.227 -3.52464 # jumping subtree containing (T0187)I363 jump= -0.655874 0.430858 0.123859 -0.607329 -114.869 75.6527 -96.877 # jumping subtree containing (T0187)I363 jump= -0.965225 -0.111771 0.168423 0.165777 -29.5757 -54.2313 22.8353 # jumping subtree containing (T0187)G405 jump= -0.39681 0.535133 -0.32876 0.669396 -84.5184 -123.787 6.77929 # generation 90: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 323 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 401 ## JiggleSubtree 312 ## OptSubtree 1048 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)T313 jump= 0.922303 0.377736 0.0645506 -0.050056 14.7252 -45.9232 -28.8919 # Removing break before 35 # jumping subtree containing (T0187)T313 jump= -0.345779 0.546014 0.692246 0.321094 -93.4519 107.638 -9.73566 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= -0.296432 -0.595639 0.151676 -0.730984 -59.6527 -89.7396 55.2496 # Removing break before 78 # jumping subtree containing (T0187)G362 jump= -0.993291 0.0569035 -0.0800955 0.0609875 26.4073 -13.6246 -14.2778 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)P379 jump= -0.746525 0.64858 0.118787 0.0890707 19.9517 25.3348 -15.3714 # jumping subtree containing (T0187)I363 jump= 0.105383 0.885511 -0.337126 -0.301845 -110.289 -127.977 -127.789 # Removing break before 78 # Removing break before 35 # generation 91: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 331 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 407 ## JiggleSubtree 312 ## OptSubtree 1058 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G362 jump= -0.422251 -0.310914 -0.770853 -0.361695 -65.0273 72.5552 -104.668 # jumping subtree containing (T0187)I363 jump= -0.994206 0.0436607 -0.08233 0.0535759 12.096 -26.7294 -18.3316 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= -0.967897 -0.0393094 0.201451 0.145079 -2.8729 -33.846 16.9727 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= 0.0484917 -0.00439335 0.870431 -0.489877 -172.889 -64.507 -142.162 # jumping subtree containing (T0187)C346 jump= -0.871866 -0.149563 -0.419777 -0.203145 -21.5766 40.6485 -59.0269 # jumping subtree containing (T0187)D358 jump= -0.898247 -0.305791 -0.233731 0.212165 19.5707 -80.069 -61.9387 # jumping subtree containing (T0187)I363 jump= 0.349474 -0.308177 -0.514054 -0.720169 -103.665 -16.4907 46.7071 # jumping subtree containing (T0187)L301 jump= 0.221283 -0.204938 0.934539 0.188867 -192.897 -7.97986 -113.624 # jumping subtree containing (T0187)I363 jump= -0.558374 0.231091 -0.796576 0.0167907 -70.1555 -28.8283 -192.77 # generation 92: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 335 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 421 ## JiggleSubtree 312 ## OptSubtree 1064 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= 0.692407 -0.602304 0.0418947 -0.395028 42.8348 -39.294 -44.3612 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)I363 jump= 0.721764 -0.66248 0.198227 0.0297201 -2.91234 -12.6852 -132.607 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= -0.332944 -0.056359 0.779658 0.527357 -207.494 -41.3437 -11.3082 # jumping subtree containing (T0187)S395 jump= 0.509099 -0.0834659 -0.855588 0.0426643 -180.654 3.01174 40.7276 # jumping subtree containing (T0187)A374 jump= -0.630256 -0.184644 -0.752492 0.049391 -92.9384 2.7679 -171.622 # Removing break before 35 # generation 93: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 345 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 432 ## JiggleSubtree 312 ## OptSubtree 1067 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)G352 jump= -0.527361 0.160654 -0.8274 0.107187 -99.6181 -45.1126 -159.076 # jumping subtree containing (T0187)V417 jump= -0.255989 -0.433217 0.701966 0.50402 -176.816 -99.6292 -59.5376 # jumping subtree containing (T0187)A336 jump= -0.871432 0.0622218 0.124599 -0.47033 -106.512 80.2822 1.81823 # jumping subtree containing (T0187)I363 jump= 0.999998 0.000974272 0.00167368 0.000535249 -16.4256 5.43523 18.8712 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= -0.870621 0.356676 -0.224814 -0.253495 -33.3215 65.8552 -68.2791 # jumping subtree containing (T0187)N385 jump= 0.931048 -0.268835 -0.0168912 -0.246156 7.11071 -21.5717 -24.6094 # jumping subtree containing (T0187)N385 jump= -0.635163 0.640446 0.136239 -0.409678 -75.2339 69.8835 -63.3976 # jumping subtree containing (T0187)E312 jump= -0.988356 -0.135438 -0.00375525 0.069251 -8.32781 -46.8331 4.28322 # jumping subtree containing (T0187)V417 jump= 0.978802 0.137872 0.122043 -0.0896886 6.23812 -26.4352 -21.8561 # Removing break before 35 # jumping subtree containing (T0187)G352 jump= 0.0586148 0.671674 -0.0802391 0.734152 -64.9855 -73.2331 26.7694 # Removing break before 78 # jumping subtree containing (T0187)I400 jump= -0.991173 0.0205542 -0.0243139 0.128697 5.73358 -48.8012 6.28137 # generation 94: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 353 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 443 ## JiggleSubtree 312 ## OptSubtree 1072 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= 0.428712 0.616106 -0.38005 -0.540538 -144.82 -146.749 -88.6646 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= -0.752065 -0.600435 0.232665 -0.140513 -59.8743 -79.4028 31.1399 # jumping subtree containing (T0187)G405 jump= 0.0851496 -0.799046 -0.376017 -0.461396 -36.0805 40.6319 58.3965 # jumping subtree containing (T0187)G405 jump= 0.789627 -0.369358 -0.0611246 -0.486135 -31.7998 -59.8969 20.0438 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= 0.249132 -0.143874 -0.721261 0.630092 -207.374 8.03304 -22.3246 # jumping subtree containing (T0187)S395 jump= 0.0655274 -0.319444 0.945256 0.0124036 -204.587 -50.1295 -95.7539 # generation 95: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 364 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 452 ## JiggleSubtree 312 ## OptSubtree 1076 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N385 jump= -0.842492 0.388905 0.255395 0.27154 -50.1815 8.46635 40.4281 # Removing break before 35 # jumping subtree containing (T0187)L392 jump= 0.164933 -0.98098 0.102017 0.00826861 -18.2578 -40.4577 -86.198 # jumping subtree containing (T0187)A369 jump= -0.478854 -0.516038 0.705283 0.0835453 -162.896 -102.858 14.5689 # Removing break before 78 # jumping subtree containing (T0187)T404 jump= 0.980835 0.10449 -0.149729 0.0680065 -11.3142 -23.0165 34.6261 # jumping subtree containing (T0187)G405 jump= -0.998116 0.0528262 0.014603 0.0275961 6.08696 0.90761 -24.1239 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)G362 jump= 0.900449 0.38497 0.201699 -0.0175241 -1.94591 -41.6015 -22.9936 # jumping subtree containing (T0187)I363 jump= 0.439698 -0.535863 -0.0440568 -0.719427 -20.6868 -75.3726 48.6833 # jumping subtree containing (T0187)D351 jump= -0.999773 -0.00511599 -0.0188934 0.00844071 18.1837 5.72705 5.26156 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= -0.142861 0.547165 -0.773022 0.287468 -173.515 -127.493 -57.6988 # jumping subtree containing (T0187)D410 jump= -0.048465 -0.279849 -0.186993 0.940409 -187.109 -75.875 -72.7334 # generation 96: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 373 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 460 ## JiggleSubtree 312 ## OptSubtree 1083 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= -1 0.000262553 0.000475999 -8.45095e-05 2.00971 2.18125 17.0102 # jumping subtree containing (T0187)I363 jump= 0.337275 -0.469097 -0.600929 0.552339 -200.886 29.9112 -120.932 # Removing break before 35 # jumping subtree containing (T0187)N385 jump= -0.965082 -0.261634 -0.00679798 -0.0108283 -17.858 -33.9662 -11.1854 # jumping subtree containing (T0187)P379 jump= -0.942395 -0.109285 0.253423 -0.189013 -68.3427 10.0884 55.1504 # jumping subtree containing (T0187)I363 jump= 0.556932 -0.741407 -0.0871354 0.364073 -68.7696 74.1219 -136.697 # jumping subtree containing (T0187)D354 jump= -0.0286556 0.339204 0.000515414 0.940276 -123.665 -80.9193 23.4098 # jumping subtree containing (T0187)A369 jump= 0.765851 0.208099 0.311675 -0.52252 -8.18397 -130.902 -82.2836 # jumping subtree containing (T0187)T313 jump= -0.835266 -0.485758 0.148601 -0.210448 2.03268 -41.3677 11.5267 # jumping subtree containing (T0187)S395 jump= 0.910417 0.0420646 0.107898 0.397151 -43.7053 72.3475 -32.6628 # Removing break before 35 # jumping subtree containing (T0187)L398 jump= 0.999692 0.0215553 0.00251718 0.0120413 4.13822 -6.34936 -25.1356 # jumping subtree containing (T0187)N385 jump= 0.165874 -0.198357 -0.736078 -0.625563 -171.368 49.0841 36.7724 # generation 97: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 383 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 463 ## JiggleSubtree 312 ## OptSubtree 1094 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)S395 jump= 0.930342 -0.365455 -0.0301064 -0.000398995 14.6698 14.9743 -36.326 # Removing break before 78 # jumping subtree containing (T0187)L345 jump= 0.837627 -0.0412704 -0.530937 0.121586 -129.355 -2.18739 56.6824 # Removing break before 35 # jumping subtree containing (T0187)N385 jump= -0.636004 0.0681528 -0.377556 -0.669556 -123.243 104.318 -47.4585 # Removing break before 35 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)T313 jump= 0.791299 -0.46829 -0.392381 0.0242557 -70.5928 98.8216 7.68698 # jumping subtree containing (T0187)N385 jump= -0.749672 0.542641 0.245819 -0.288281 -86.5826 91.3079 -27.5193 # jumping subtree containing (T0187)A336 jump= -0.798963 0.227632 0.128636 -0.541567 -101.637 110.866 -38.0223 # Removing break before 35 # generation 98: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 391 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 474 ## JiggleSubtree 312 ## OptSubtree 1099 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= -0.560517 -0.571724 -0.387687 -0.456783 -3.93523 43.4999 -12.6129 # jumping subtree containing (T0187)I363 jump= 0.755722 0.58844 -0.280963 0.0606896 -40.5565 -95.5679 11.4498 # jumping subtree containing (T0187)T404 jump= 0.336646 -0.498795 0.751665 0.26995 -149.758 -67.589 -144.917 # Removing break before 78 # jumping subtree containing (T0187)I363 jump= 0.991686 0.0189256 -0.127282 0.000307704 -3.33498 5.72565 20.7543 # jumping subtree containing (T0187)T357 jump= -0.37238 0.240782 0.87176 -0.208307 -194.111 38.1981 -43.4307 # Removing break before 78 # jumping subtree containing (T0187)I363 jump= 0.969207 0.0422845 -0.151976 -0.189086 -16.8051 -28.6187 21.1811 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)T313 jump= -0.969413 0.0153436 0.183525 0.16224 -1.97273 -32.4614 21.5244 # generation 99: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 402 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 483 ## JiggleSubtree 312 ## OptSubtree 1103 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= -0.340838 0.0628055 0.800076 -0.489657 -202.157 1.90036 -59.0555 # jumping subtree containing (T0187)I363 jump= 0.297383 0.467771 -0.808737 -0.19672 -190.489 -85.7643 -43.1284 # jumping subtree containing (T0187)G405 jump= 0.247504 -0.425766 -0.763049 0.418595 -145.145 52.9923 -53.7394 # jumping subtree containing (T0187)I363 jump= 0.979449 -0.0659561 -0.0701868 -0.177207 -31.4921 -29.5016 13.1163 # jumping subtree containing (T0187)N385 jump= 0.950708 -0.174891 -0.169784 -0.191678 -27.9322 -37.6779 12.7004 # Removing break before 35 # jumping subtree containing (T0187)N385 jump= -0.941187 0.0427307 0.081752 -0.325049 -35.0095 68.6498 -11.804 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= -0.99502 -0.00769598 0.0990458 0.00817053 3.99206 14.2957 33.9982 # jumping subtree containing (T0187)T313 jump= 0.347022 -0.265533 0.885689 -0.156915 -124.92 -49.4314 -165.484 # Removing break before 35 # Removing break before 35 # Removing break before 35 # Removing break before 78 # Removing break before 78 # generation 100: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 411 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 492 ## JiggleSubtree 312 ## OptSubtree 1109 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # jumping subtree containing (T0187)I363 jump= 0.682743 -0.337247 -0.163983 -0.627085 -24.9358 -33.8807 25.123 # Removing break before 35 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)T401 jump= -0.505092 -0.470634 0.6613 0.293374 -143.718 -141.523 22.181 # jumping subtree containing (T0187)G405 jump= -0.510531 0.483643 -0.181719 -0.687332 -158.824 38.5939 -116.675 # Removing break before 78 # jumping subtree containing (T0187)G405 jump= -0.53872 -0.425525 -0.553193 0.471898 -76.458 -31.2605 -152.766 # Removing break before 78 # jumping subtree containing (T0187)N385 jump= -0.0573941 0.433567 0.747794 0.49953 -145.5 87.1068 -7.77413 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= 0.968092 -0.0358201 -0.216077 -0.12176 -22.6987 -11.6453 30.0923 # jumping subtree containing (T0187)A336 jump= 0.473438 0.62352 -0.621961 0.0155984 -139.057 -161.08 13.4107 # jumping subtree containing (T0187)G405 jump= 0.701314 -0.1062 -0.165024 0.685308 -153.273 57.9767 -3.72186 # generation 101: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 415 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 502 ## JiggleSubtree 312 ## OptSubtree 1119 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= -0.815823 0.310306 0.168691 0.457915 -45.355 -33.9202 28.0385 # jumping subtree containing (T0187)G405 jump= 0.421224 -0.818697 0.390102 0.0112398 -35.6221 -60.7721 -93.9382 # Removing break before 78 # jumping subtree containing (T0187)G405 jump= 0.520598 -0.742697 0.386984 -0.166202 -17.7992 -72.1262 -111.442 # jumping subtree containing (T0187)L399 jump= 0.0526829 0.0124277 -0.419397 -0.906188 -239.207 -26.3305 18.0733 # jumping subtree containing (T0187)G405 jump= -0.221537 0.599583 0.554179 0.533205 -102.541 58.4829 40.901 # Removing break before 78 # jumping subtree containing (T0187)G405 jump= 0.962761 0.257731 -0.0528581 0.0622317 -10.6365 -7.68476 9.64037 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)G362 jump= 0.768398 0.426059 -0.11468 -0.463559 -75.3193 -162.48 -9.92047 # Removing break before 35 # Removing break before 35 # Removing break before 78 # generation 102: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 419 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 512 ## JiggleSubtree 312 ## OptSubtree 1129 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)A369 jump= -0.986996 -0.123248 0.0989494 -0.0292852 2.45947 -32.1694 26.958 # jumping subtree containing (T0187)T313 jump= -0.548734 -0.28481 0.433611 0.655558 -177.212 -107.956 0.505565 # jumping subtree containing (T0187)A336 jump= -0.934955 0.00584957 0.169282 0.311717 -29.9124 -56.5251 60.1511 # jumping subtree containing (T0187)T313 jump= -0.983047 0.0307151 0.180752 -0.00193716 -40.0681 28.3212 19.4656 # jumping subtree containing (T0187)G405 jump= 0.82766 -0.430419 -0.359197 0.026381 -44.2751 44.3426 -0.0362568 # Removing break before 78 # jumping subtree containing (T0187)N385 jump= -0.531659 -0.0948456 0.748716 0.384405 -197.558 -41.6419 33.0767 # jumping subtree containing (T0187)T404 jump= 0.73106 -0.574235 -0.164791 0.329619 -43.5253 88.566 -57.8725 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= -0.319802 -0.751096 -0.18478 -0.547209 -24.0144 -4.0273 37.6279 # Removing break before 35 # Removing break before 35 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)E312 jump= 0.596433 0.775817 -0.120805 0.166677 5.80742 -79.0575 -38.4699 # jumping subtree containing (T0187)A359 jump= -0.816821 0.390037 -0.182274 0.383993 21.5227 -73.2359 -78.6007 # generation 103: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 427 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 518 ## JiggleSubtree 312 ## OptSubtree 1139 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)I335 jump= -0.995567 0.0848431 0.0180788 0.0363465 1.4475 -12.9784 -19.0414 # jumping subtree containing (T0187)G405 jump= -0.865307 -0.151337 0.362011 0.311912 -52.8377 -80.0976 39.4656 # Removing break before 35 # jumping subtree containing (T0187)E312 jump= 0.78602 -0.279768 -0.375637 -0.403484 -87.7459 -21.43 55.0283 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= 0.976055 -0.0398486 -0.00187952 0.213833 -7.15088 65.6711 -12.5184 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)G361 jump= 0.0193205 0.168585 -0.965774 -0.196181 -203.438 -14.4656 -87.3073 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= 0.997937 -0.0425729 0.0359467 0.0318939 7.83658 34.9611 -3.06124 # jumping subtree containing (T0187)E312 jump= 0.993968 0.0699859 0.0705961 0.0463318 -1.40813 4.29381 -0.700404 # jumping subtree containing (T0187)E312 jump= 0.955603 0.276179 0.0996318 0.0249442 3.37214 -3.35467 -14.5106 # generation 104: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 436 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 521 ## JiggleSubtree 312 ## OptSubtree 1151 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= 0.129956 -0.746714 -0.0681466 0.648756 -132.978 -27.1161 -195.567 # Removing break before 35 # jumping subtree containing (T0187)P379 jump= 0.442295 -0.482144 -0.139232 -0.743322 -84.6143 -56.2256 70.7494 # jumping subtree containing (T0187)G405 jump= -0.341957 -0.734341 0.479509 -0.337461 -78.4526 -116.622 12.7039 # jumping subtree containing (T0187)P379 jump= 0.91086 -0.208549 0.331853 0.129289 -13.1141 1.99218 -83.0355 # Removing break before 78 # jumping subtree containing (T0187)L392 jump= -0.360353 0.890517 -0.218426 -0.171509 -31.5627 -11.2914 -141.463 # jumping subtree containing (T0187)A369 jump= 0.256565 0.0603388 -0.939111 0.220464 -229.686 -34.0753 -44.0204 # jumping subtree containing (T0187)G405 jump= -0.890098 -0.088119 0.236994 0.379203 -42.0214 -94.6056 47.3383 # jumping subtree containing (T0187)I363 jump= 0.868664 -0.423704 0.215766 0.13908 11.6581 27.1344 -108.555 # jumping subtree containing (T0187)P379 jump= -0.248245 0.164234 -0.826993 -0.476954 -218.287 7.01302 -103.178 # Removing break before 35 # jumping subtree containing (T0187)N385 jump= -0.350676 -0.268612 -0.0176969 0.896973 -194.838 -104.093 -55.4724 # Removing break before 78 # jumping subtree containing (T0187)A369 jump= -0.687431 0.56261 0.103171 0.447508 7.30667 -25.9049 -15.2887 # Removing break before 78 # Removing break before 35 # Removing break before 35 # generation 105: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 443 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 529 ## JiggleSubtree 312 ## OptSubtree 1160 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.0472247 0.518851 -0.84981 0.0799093 -155.002 -98.065 -61.2512 # jumping subtree containing (T0187)A369 jump= -0.587313 -0.254906 0.489814 -0.59175 -175.447 -6.56781 34.4294 # jumping subtree containing (T0187)L301 jump= 0.985838 0.132546 0.0468413 0.0914405 -15.7281 15.1155 -2.00597 # jumping subtree containing (T0187)G405 jump= 0.369153 0.865914 0.1321 -0.310593 -9.33333 -64.235 -114.08 # Removing break before 35 # jumping subtree containing (T0187)G362 jump= -0.423198 -0.656749 0.199321 0.591486 -100.601 -160.164 -100.636 # Removing break before 78 # Removing break before 35 # Removing break before 78 # Removing break before 35 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)D358 jump= 0.756952 0.304747 0.324087 0.478666 -17.7058 47.9813 -16.0028 # generation 106: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.8437 cost/residue, 319 clashes 0.10029 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 452 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 534 ## JiggleSubtree 312 ## OptSubtree 1170 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)G405 jump= -0.0682961 0.393766 0.191818 -0.896376 -199.384 -25.3425 -68.6732 # jumping subtree containing (T0187)G405 jump= -0.00133738 0.993522 -0.104467 -0.0447097 3.14823 -83.3396 -80.6285 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)A336 jump= 0.914164 -0.167665 -0.185515 -0.319025 -18.6549 -74.8301 35.227 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= -0.356899 0.337298 0.638067 0.593064 -154.821 -7.42213 64.483 # jumping subtree containing (T0187)G405 jump= 0.992703 0.00391518 0.0546863 -0.107399 13.8846 -40.437 -33.735 # generation 107: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6826 cost/residue, 320 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 459 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 540 ## JiggleSubtree 312 ## OptSubtree 1181 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)G405 jump= -0.997258 0.0565802 -0.0160044 -0.0449314 -4.49266 -3.41582 -8.06568 # Removing break before 35 # jumping subtree containing (T0187)P379 jump= -0.262242 -0.7231 -0.137824 0.623987 -120.04 -82.3142 -169.668 # Removing break before 35 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)T313 jump= -0.383842 0.869239 0.0261601 0.310491 14.5017 2.62567 -27.6475 # Removing break before 78 # jumping subtree containing (T0187)G405 jump= -0.812026 0.12917 0.323444 -0.468307 -97.7961 76.2147 37.651 # Removing break before 78 # jumping subtree containing (T0187)G405 jump= -0.622268 0.77904 0.00773094 -0.0762892 -8.77018 35.5228 -96.6141 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)A336 jump= -0.867669 -0.00241819 0.491002 0.0778571 -117.208 -28.68 85.825 # jumping subtree containing (T0187)L301 jump= -0.292747 -0.368087 0.084967 -0.878403 -149.744 -0.260625 43.54 # Removing break before 78 # jumping subtree containing (T0187)T401 jump= 0.411315 -0.679545 -0.42133 0.437629 -92.3359 73.2824 -116.152 # jumping subtree containing (T0187)T313 jump= -0.205086 0.870479 -0.437009 -0.0960699 -28.841 -66.4833 -159.819 # Removing break before 78 # generation 108: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6826 cost/residue, 320 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 466 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 542 ## JiggleSubtree 313 ## OptSubtree 1195 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.779569 -0.381154 -0.480502 -0.126933 -45.7219 8.44919 54.7862 # jumping subtree containing (T0187)G405 jump= 0.467053 -0.13428 0.593288 -0.641747 -135.974 -165.553 -107.283 # jumping subtree containing (T0187)G405 jump= 0.99942 0.0306355 0.0130212 -0.0071535 -23.6178 12.154 3.12453 # jumping subtree containing (T0187)I363 jump= -0.833444 -0.0479542 -0.345402 -0.428684 -38.1113 72.2226 -61.7095 # Removing break before 78 # Removing break before 35 # Removing break before 78 # Removing break before 35 # Removing break before 35 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= 0.644317 0.373527 0.543626 -0.387046 -64.5735 -32.5471 -134.058 # Removing break before 78 # Removing break before 35 # generation 109: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6826 cost/residue, 320 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 470 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 546 ## JiggleSubtree 318 ## OptSubtree 1215 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.802944 -0.559949 0.157202 0.130481 -25.1071 30.3087 -89.3286 # Removing break before 35 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)G405 jump= -0.181936 0.769965 -0.252866 -0.556878 -133.899 -45.6119 -148.596 # jumping subtree containing (T0187)A369 jump= -0.984666 -0.174162 -0.00241246 0.00968064 11.3325 -15.3966 17.7358 # jumping subtree containing (T0187)A359 jump= -0.964048 0.202291 0.160827 -0.0618428 -12.8903 20.9978 27.1671 # jumping subtree containing (T0187)G405 jump= -0.0808752 -0.426778 0.638558 0.635267 -186.557 -46.0856 -57.8364 # jumping subtree containing (T0187)G405 jump= 0.59311 0.772406 -0.153374 -0.167591 -20.9305 -81.7172 -24.154 # jumping subtree containing (T0187)G405 jump= -0.563692 0.473441 0.580051 -0.348777 -109.016 99.3432 -16.7881 # jumping subtree containing (T0187)N385 jump= 0.974664 0.0703774 -0.0300103 -0.210183 5.21915 -44.5057 -3.70993 # Removing break before 84 # Removing break before 78 # generation 110: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6826 cost/residue, 320 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 475 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 554 ## JiggleSubtree 318 ## OptSubtree 1232 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.998707 -0.00688757 -0.0343447 0.0368432 -0.257128 -17.136 1.83374 # Removing break before 35 # jumping subtree containing (T0187)D358 jump= -0.362461 -0.312159 -0.804442 0.352211 -90.0228 -45.4795 -203.313 # Removing break before 78 # jumping subtree containing (T0187)G405 jump= -0.82611 0.174885 -0.473686 0.250157 -19.366 -51.6571 -89.9956 # Removing break before 35 # jumping subtree containing (T0187)P379 jump= 0.63845 0.208577 -0.600179 -0.434352 -159.685 -66.5412 60.6051 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= -0.0616564 0.78912 -0.589021 -0.162917 -110.252 -138.596 -141.451 # jumping subtree containing (T0187)T404 jump= -0.635237 0.419121 0.476113 -0.4406 -108.919 89.677 -0.249231 # jumping subtree containing (T0187)T313 jump= 0.999294 0.0142758 0.0224877 -0.0264782 -10.2675 -20.2804 15.9654 # jumping subtree containing (T0187)E312 jump= -0.739361 -0.312077 -0.420032 0.423706 -28.3524 -109.625 -95.8251 # generation 111: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6826 cost/residue, 320 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 480 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 563 ## JiggleSubtree 318 ## OptSubtree 1242 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= 0.91825 -0.34402 -0.165868 0.104663 -25.7499 34.968 -0.100291 # jumping subtree containing (T0187)A336 jump= 0.247996 0.614817 -0.748585 0.0108803 -171.311 -118.928 -15.6762 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= 0.657602 -0.528007 0.37419 -0.385682 -3.89734 -119.503 -73.9261 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= -0.903929 -0.374042 0.184501 -0.0946814 -16.5947 -12.6253 65.3595 # jumping subtree containing (T0187)G405 jump= -0.763363 -0.137812 -0.460508 -0.431528 -44.9715 82.9412 -81.9261 # jumping subtree containing (T0187)A359 jump= -0.0532149 0.787965 0.290521 0.540257 8.49909 0.401552 -14.5633 # Removing break before 84 # Removing break before 84 # jumping subtree containing (T0187)I363 jump= 0.628864 0.29091 -0.571253 0.439967 -156.52 -61.8303 7.45883 # jumping subtree containing (T0187)A336 jump= -0.204705 -0.216897 -0.712907 0.634677 -213.961 -61.8506 -162.476 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= -0.625805 -0.701057 -0.313887 -0.135506 -15.9962 31.1103 -33.8059 # jumping subtree containing (T0187)G405 jump= 0.580871 0.435769 -0.685369 0.0544377 -139.51 -82.1164 28.5446 # generation 112: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6826 cost/residue, 320 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 485 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 570 ## JiggleSubtree 318 ## OptSubtree 1254 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.999275 -0.0173727 -0.00422109 -0.0336273 -3.01469 -8.37093 -21.7669 # jumping subtree containing (T0187)L301 jump= -0.804182 -0.571753 -0.105002 0.123953 -9.9193 -76.859 -67.2665 # jumping subtree containing (T0187)T313 jump= 0.676301 -0.151235 -0.229974 -0.683269 -77.5056 -73.983 42.6652 # jumping subtree containing (T0187)A359 jump= -0.958003 -0.00769946 -0.0609635 -0.280096 -30.238 27.4682 -20.8048 # Removing break before 35 # jumping subtree containing (T0187)G362 jump= 0.540177 -0.266237 0.175136 -0.77888 -67.1669 -144.888 -25.5493 # jumping subtree containing (T0187)P379 jump= -0.588794 -0.318957 0.588858 -0.452586 -166.136 -66.9709 69.6092 # jumping subtree containing (T0187)A369 jump= -0.779614 -0.134149 -0.441313 0.423614 -1.34269 -84.6247 -108.374 # jumping subtree containing (T0187)G405 jump= 0.912743 -0.0381553 0.289988 0.285221 -23.1251 49.1422 -76.4857 # Removing break before 35 # jumping subtree containing (T0187)T313 jump= -0.97367 0.0684328 0.20171 -0.0812201 -29.9153 13.9772 46.2832 # jumping subtree containing (T0187)G405 jump= -0.999919 0.01172 -0.00470301 -0.00131672 1.0812 24.7007 6.32614 # jumping subtree containing (T0187)G405 jump= 0.0759288 -0.19467 0.734772 -0.645328 -166.648 -81.1933 -40.9546 # Removing break before 35 # generation 113: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6826 cost/residue, 320 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 490 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 576 ## JiggleSubtree 318 ## OptSubtree 1267 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= 0.256762 0.662454 0.685227 -0.160286 -83.5476 55.2264 -139.436 # jumping subtree containing (T0187)G405 jump= -0.944329 -0.210765 0.20434 0.148545 -29.5547 -43.2245 40.971 # jumping subtree containing (T0187)S395 jump= -0.998022 -0.0608726 -0.0111732 0.0110723 -22.951 4.2571 11.173 # jumping subtree containing (T0187)E312 jump= 0.987703 -0.0328503 0.11522 0.100444 -0.078444 41.5177 -29.7927 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)T313 jump= 0.495116 0.45372 -0.429899 0.603477 -111.472 -79.5071 52.0683 # jumping subtree containing (T0187)S395 jump= 0.933675 -0.0582797 0.329741 0.126983 -18.6208 13.4986 -62.5599 # jumping subtree containing (T0187)A369 jump= 0.163002 0.0844621 -0.683854 -0.706144 -198.112 -17.518 9.49167 # jumping subtree containing (T0187)G405 jump= 0.500226 -0.313652 -0.748911 0.300881 -141.526 74.2074 4.55486 # jumping subtree containing (T0187)P379 jump= 0.249802 0.475449 -0.0432757 0.842422 -146.989 -6.56856 89.0246 # Removing break before 78 # jumping subtree containing (T0187)A369 jump= -0.249513 0.671449 0.0478377 0.69614 -44.6602 -53.0969 36.1861 # generation 114: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6825 cost/residue, 320 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 497 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 585 ## JiggleSubtree 319 ## OptSubtree 1274 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G362 jump= 0.641801 -0.190931 0.741483 -0.0429008 -55.6806 -5.63498 -161.569 # jumping subtree containing (T0187)G405 jump= -0.942308 -0.0713628 0.0299228 -0.325681 -18.2227 46.9814 6.06094 # Removing break before 84 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= 0.95699 0.236021 -0.018161 0.167731 -7.60321 32.238 35.2488 # Removing break before 78 # Removing break before 84 # Removing break before 78 # Removing break before 35 # Removing break before 35 # Removing break before 35 # generation 115: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6825 cost/residue, 320 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 500 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 596 ## JiggleSubtree 319 ## OptSubtree 1284 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)C346 jump= 0.530458 -0.0267267 0.234731 0.814126 -160.389 87.9271 -39.5781 # Removing break before 78 # jumping subtree containing (T0187)P379 jump= 0.682555 -0.024061 -0.43758 0.584862 -161.264 90.2236 54.3087 # jumping subtree containing (T0187)C346 jump= 0.447675 -0.43287 0.351284 0.69915 -187.013 67.5293 -129.091 # Removing break before 35 # jumping subtree containing (T0187)K393 jump= -0.0371254 0.481935 0.499354 -0.719031 -212.411 10.2738 -113.935 # jumping subtree containing (T0187)G405 jump= -0.477892 -0.423818 -0.559165 -0.528519 -89.955 76.7977 8.23664 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= 0.543499 -0.169238 0.716393 -0.40342 -103.202 -96.3497 -129.025 # Removing break before 84 # jumping subtree containing (T0187)A359 jump= -0.0820501 -0.951355 0.170154 0.243391 -60.0967 -97.7762 -86.0431 # jumping subtree containing (T0187)A369 jump= 0.1697 -0.315121 -0.885825 0.295322 -172.52 50.2461 -91.9819 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)C346 jump= 0.756757 0.153129 0.581953 0.255346 -37.9853 50.8868 -130.287 # Removing break before 35 # Removing break before 84 # jumping subtree containing (T0187)A369 jump= -0.595364 -0.249293 0.0719284 0.760409 -140.533 -161.031 -24.2116 # Removing break before 78 # jumping subtree containing (T0187)L301 jump= 0.810268 0.0196257 -0.519378 -0.270791 -85.4362 -28.9798 84.67 # Removing break before 78 # generation 116: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6825 cost/residue, 320 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 505 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 605 ## JiggleSubtree 319 ## OptSubtree 1294 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.331975 0.446165 -0.725635 -0.405195 -176.618 -109.099 -28.9734 # jumping subtree containing (T0187)P379 jump= 0.898443 -0.223218 -0.337874 -0.169751 -54.7701 31.9171 70.8192 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= -0.99016 -0.0199275 0.108139 -0.0865563 -43.5511 15.6364 23.6149 # jumping subtree containing (T0187)P379 jump= 0.0272917 -0.201828 0.589876 -0.781387 -203.595 -103.389 0.761911 # Removing break before 78 # jumping subtree containing (T0187)A369 jump= -0.800668 0.123677 -0.105335 -0.576662 -106.957 94.9628 -51.6448 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)C346 jump= 0.684429 0.560548 -0.413284 0.215729 -95.4799 -73.0581 62.477 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= 0.925996 -0.276894 0.126462 -0.223315 29.1809 -42.0206 -50.9521 # jumping subtree containing (T0187)P379 jump= 0.951487 -0.26326 0.0968188 0.126467 -7.11673 19.7219 -45.0335 # Removing break before 78 # generation 117: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6825 cost/residue, 320 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 508 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 611 ## JiggleSubtree 319 ## OptSubtree 1309 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.368973 0.254302 0.609383 -0.654096 -159.267 -63.8142 -108.79 # jumping subtree containing (T0187)G405 jump= -0.867595 0.270665 -0.286036 -0.30365 -23.0166 66.1972 -95.7461 # jumping subtree containing (T0187)A336 jump= 0.927706 0.226909 0.114368 0.273485 -27.8286 61.1446 -16.3654 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= 0.53151 0.439212 0.317034 0.651214 -98.9861 92.444 34.3584 # jumping subtree containing (T0187)E312 jump= 0.0526105 0.400015 -0.535148 -0.742184 -219.132 -44.1067 -114.168 # jumping subtree containing (T0187)G362 jump= 0.163958 -0.466541 -0.869167 -0.00238122 -137.238 80.539 -49.2195 # Removing break before 84 # jumping subtree containing (T0187)G405 jump= 0.691703 0.541143 -0.121341 -0.462587 -80.2297 -144.439 -59.8439 # jumping subtree containing (T0187)N385 jump= -0.749951 -0.243492 0.4842 0.379257 -136.705 -91.418 13.813 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= 0.707506 -0.333829 -0.0698023 0.618968 -123.352 120.953 -26.2979 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)T401 jump= -0.660272 -0.239384 0.591008 -0.396796 -145.662 -24.1463 64.7769 # Removing break before 78 # Removing break before 78 # Removing break before 78 # Removing break before 35 # generation 118: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6825 cost/residue, 320 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 519 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 618 ## JiggleSubtree 319 ## OptSubtree 1315 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 84 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)P379 jump= -0.998949 -0.0260133 0.0117634 -0.0358665 9.967 -1.52756 -5.30339 # Removing break before 78 # Removing break before 35 # Removing break before 84 # Removing break before 84 # jumping subtree containing (T0187)G405 jump= -0.932345 -0.256434 0.241207 -0.0824184 -19.1017 -28.1971 40.0801 # jumping subtree containing (T0187)A336 jump= -0.979537 -0.146442 -0.137069 0.0165437 28.1717 -10.6494 -35.0246 # jumping subtree containing (T0187)A359 jump= -0.860184 -0.448732 0.164665 0.177784 -10.4631 -96.9924 32.254 # jumping subtree containing (T0187)P379 jump= -0.818684 -0.310227 0.477807 0.0722313 -105.991 -68.9782 80.7292 # Removing break before 84 # generation 119: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6825 cost/residue, 320 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 67 ## TwoFragment 12 ## CrossOver 529 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 621 ## JiggleSubtree 319 ## OptSubtree 1326 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D378 jump= 0.856943 -0.136806 0.493978 0.0540259 -12.0484 0.833623 -138.135 # Removing break before 78 # jumping subtree containing (T0187)C346 jump= 0.420917 0.27465 0.806678 0.310913 -137.447 70.8057 -100.223 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)G405 jump= -0.733996 -0.490485 0.468162 0.0387268 -111.221 -89.3077 43.5718 # jumping subtree containing (T0187)P379 jump= -0.86966 0.288571 -0.243721 -0.317834 -23.5565 60.8181 -89.1591 # Removing break before 78 # Removing break before 35 # generation 120: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6323 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 541 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 623 ## JiggleSubtree 319 ## OptSubtree 1335 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 84 # Removing break before 84 # jumping subtree containing (T0187)P379 jump= -0.801774 0.460976 -0.0955025 0.368155 -1.18678 -33.5471 1.8316 # jumping subtree containing (T0187)N326 jump= -0.291638 0.659744 -0.612854 -0.322636 -115.619 -32.6202 -209.186 # jumping subtree containing (T0187)N407 jump= 0.298318 -0.0859199 0.143055 0.939765 -190.5 73.511 -14.4257 # jumping subtree containing (T0187)A336 jump= -0.60399 -0.718959 -0.342709 0.0290736 -17.4969 20.9929 -114.72 # jumping subtree containing (T0187)A369 jump= 0.715591 0.0230858 -0.282303 -0.638515 -107.492 -113.102 39.5159 # Removing break before 78 # jumping subtree containing (T0187)P379 jump= 0.651918 0.224734 0.706834 0.157743 -79.8595 64.3275 -151.065 # Removing break before 78 # jumping subtree containing (T0187)A336 jump= -0.624761 0.201336 -0.744089 0.124374 -92.1601 -67.4718 -205.982 # jumping subtree containing (T0187)A336 jump= 0.661436 -0.0738249 0.353821 0.657163 -143.43 105.591 -71.936 # jumping subtree containing (T0187)A359 jump= -0.951307 -0.00119201 -0.183718 -0.247509 -50.1147 45.4258 -42.9057 # generation 121: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6323 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 545 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 625 ## JiggleSubtree 320 ## OptSubtree 1352 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A359 jump= -0.6639 0.294961 0.129224 0.674934 -62.3091 -107.644 39.14 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= -0.523749 0.741499 0.414344 0.0647014 -64.5698 113.805 14.2488 # Removing break before 84 # jumping subtree containing (T0187)V408 jump= -0.620332 -0.0974292 -0.428583 -0.649624 -96.2208 125.805 -55.1033 # jumping subtree containing (T0187)A359 jump= 0.757828 -0.491623 -0.162517 -0.396978 -18.8166 -25.0966 24.1561 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= -0.803263 0.364195 0.307881 0.356846 -51.2845 -31.5344 82.0419 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= -0.989241 0.0932169 -0.067654 0.0901946 -15.7381 -10.0812 -11.35 # generation 122: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6323 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 553 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 633 ## JiggleSubtree 323 ## OptSubtree 1367 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.766166 -0.443202 -0.459222 -0.0753423 0.550722 3.62627 -104.768 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)G405 jump= 0.967061 0.124689 -0.204607 -0.0859189 -22.1129 -24.217 63.307 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= 0.78833 0.146838 0.595403 -0.0496863 -33.9141 -5.23206 -114.439 # jumping subtree containing (T0187)A369 jump= -0.606433 -0.625046 0.474762 0.127111 -75.3018 -125.725 -8.52894 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)A359 jump= -0.1264 0.500467 0.58899 0.621808 -115.523 54.7872 39.6212 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= 0.816002 0.27005 0.148278 0.489109 -48.7571 70.8121 8.9169 # Removing break before 35 # Removing break before 35 # Removing break before 78 # generation 123: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6323 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 564 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 637 ## JiggleSubtree 323 ## OptSubtree 1376 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T401 jump= 0.974175 0.128877 0.180519 -0.0422626 30.0652 -10.7985 -40.2759 # Removing break before 78 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= -0.92926 -0.357508 -0.0884288 -0.0290472 22.9332 -19.3656 -5.15088 # jumping subtree containing (T0187)I363 jump= -0.793037 0.165617 -0.259315 0.525755 -27.9908 -124.217 -61.1725 # Removing break before 35 # jumping subtree containing (T0187)G362 jump= 0.708671 0.0494665 0.668138 -0.221202 -45.1065 -28.0779 -159.849 # Removing break before 35 # jumping subtree containing (T0187)A359 jump= -0.453784 0.724878 0.244571 -0.456965 -104.419 28.9628 -130.621 # jumping subtree containing (T0187)G405 jump= 0.999993 0.00283173 -0.000726751 -0.00235907 7.63296 9.64693 18.8945 # jumping subtree containing (T0187)V408 jump= 0.659279 0.0187232 -0.470676 -0.586059 -155.909 -64.6685 49.3825 # Removing break before 35 # jumping subtree containing (T0187)S395 jump= 0.0702456 0.621727 -0.234049 0.744139 -111.766 -23.8769 83.1188 # jumping subtree containing (T0187)N407 jump= 0.669414 0.446725 -0.574113 0.150715 -109.237 -60.807 34.9593 # jumping subtree containing (T0187)A336 jump= -0.630448 0.370355 0.682074 0.0121541 -174.019 70.8651 48.4931 # Removing break before 35 # generation 124: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6323 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 574 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 645 ## JiggleSubtree 323 ## OptSubtree 1382 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)P379 jump= -0.0498441 -0.16622 -0.509057 0.843058 -220.526 -59.7087 -72.0048 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.846444 -0.394408 0.0755407 -0.34967 -43.9321 46.2314 40.1727 # jumping subtree containing (T0187)G405 jump= 0.999365 0.022316 -0.0199912 -0.0192802 -8.62983 1.95812 1.51092 # jumping subtree containing (T0187)G405 jump= -0.72571 0.138142 -0.0847087 0.668645 -93.8278 -90.3338 -6.95587 # jumping subtree containing (T0187)L301 jump= -0.482667 0.315971 0.100458 0.810619 -142.418 -64.3663 34.2545 # jumping subtree containing (T0187)V408 jump= 0.990173 -0.0803612 -0.015548 -0.113391 -19.2418 -34.9381 -12.526 # jumping subtree containing (T0187)V408 jump= -0.804305 -0.287281 0.171575 0.491045 -97.89 -101.902 8.909 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.268946 -0.112128 -0.701904 0.649943 -179.412 -52.3756 -90.7252 # Removing break before 35 # generation 125: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6323 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 581 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 655 ## JiggleSubtree 323 ## OptSubtree 1390 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # jumping subtree containing (T0187)C346 jump= -0.062095 0.675601 0.444751 0.584726 -59.2468 50.3429 15.9274 # Removing break moved up 3 to before 110 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)E312 jump= -0.820198 -0.0906232 -0.286655 0.486715 -9.34842 -91.9475 -73.9339 # Removing break before 84 # Removing break before 78 # Removing break before 35 # Removing break before 84 # jumping subtree containing (T0187)V408 jump= -0.318503 -0.571145 0.04346 -0.755288 -127.323 10.8448 70.43 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= 0.0233872 -0.592066 0.7216 -0.358056 -145.918 -116.468 -38.4974 # generation 126: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6322 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 588 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 658 ## JiggleSubtree 323 ## OptSubtree 1405 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # jumping subtree containing (T0187)T404 jump= 0.975716 -0.0640059 0.201429 -0.0575064 -1.04655 2.00129 -36.1077 # jumping subtree containing (T0187)L301 jump= 0.99719 -0.0600738 -0.0223133 -0.0387862 -7.52834 8.44428 -7.86977 # jumping subtree containing (T0187)V408 jump= -0.920576 -0.263442 0.17466 0.229416 -43.9972 -63.0687 4.57239 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)L301 jump= 0.824242 0.489741 0.0521809 0.279386 -11.9362 24.8363 -19.0457 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= 0.903598 0.184076 0.269127 0.277844 -3.17251 78.6127 -38.5856 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.996219 -0.035036 0.0375026 0.0700919 -17.0075 31.0889 -2.30966 # jumping subtree containing (T0187)G362 jump= -0.518121 -0.399915 0.561754 -0.506015 -134.006 -56.621 45.7794 # Removing break before 84 # jumping subtree containing (T0187)A336 jump= -0.865505 -0.152957 -0.474509 0.048437 -21.2906 -10.3788 -145.558 # Removing break before 78 # Removing break before 84 # jumping subtree containing (T0187)A336 jump= -0.987682 0.145668 -0.0345548 -0.0455088 2.23736 42.6977 -34.9634 # Removing break before 35 # generation 127: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6322 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 594 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 662 ## JiggleSubtree 323 ## OptSubtree 1419 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)N385 jump= 0.20658 -0.00801844 -0.100755 -0.973195 -193.746 -65.4021 17.7546 # jumping subtree containing (T0187)V408 jump= -0.110375 -0.23618 0.658127 0.706332 -229.277 -53.5268 -60.8761 # jumping subtree containing (T0187)A336 jump= -0.79738 -0.271839 -0.537953 0.0299274 -30.879 -4.2605 -161.636 # jumping subtree containing (T0187)T401 jump= 0.782532 0.209429 0.156302 0.565112 -60.4061 96.8108 -15.1372 # jumping subtree containing (T0187)V408 jump= 0.156848 0.694695 0.447306 -0.541032 -129.782 -7.08385 -164.704 # jumping subtree containing (T0187)V408 jump= 0.426848 -0.358961 0.581068 -0.592712 -117.842 -111.358 -46.7055 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.996723 -0.0537767 0.0492879 -0.0349469 -24.6893 -1.15476 13.0674 # Removing break before 78 # Removing break before 78 # Removing break before 78 # Removing break before 35 # generation 128: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6322 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 601 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 667 ## JiggleSubtree 323 ## OptSubtree 1431 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V408 jump= -0.706873 0.465608 -0.367652 -0.385191 -65.5776 26.7893 -136.045 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= 0.0778032 0.479109 -0.632777 -0.603319 -247.704 -69.82 -141.864 # jumping subtree containing (T0187)V408 jump= -0.793059 -0.220296 0.403786 0.399354 -97.2523 -107.377 17.4316 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.703666 -0.292356 -0.632935 0.137023 -51.6598 -13.7669 -141.251 # jumping subtree containing (T0187)I363 jump= 0.493123 -0.793941 0.178933 -0.30736 5.75662 -70.284 -45.384 # jumping subtree containing (T0187)V408 jump= -0.25008 0.379925 0.822578 0.341295 -187.278 69.2214 -0.0497284 # jumping subtree containing (T0187)V408 jump= -0.833389 0.201656 -0.508555 0.078547 -45.1245 -35.061 -95.1836 # generation 129: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6322 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 607 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 671 ## JiggleSubtree 323 ## OptSubtree 1445 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= 0.878407 0.286486 -0.314302 -0.21804 -56.3279 -72.3826 28.7998 # jumping subtree containing (T0187)A336 jump= 0.0182438 0.811686 0.571898 -0.11733 -76.8867 116.892 -151.183 # jumping subtree containing (T0187)V408 jump= -0.966804 -0.0901004 0.237337 0.0290278 -18.843 -18.1953 38.5418 # Removing break before 35 # Removing break before 35 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= -0.582598 -0.0514071 -0.7215 0.37064 -106.486 -80.5691 -154.701 # Removing break before 35 # Removing break before 78 # generation 130: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6322 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 615 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 677 ## JiggleSubtree 323 ## OptSubtree 1455 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)N326 jump= -0.924764 0.221059 -0.247898 0.185718 37.5173 -45.2472 -73.1481 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= 0.0391192 0.513801 -0.669699 0.534773 -167.666 -117.094 29.5865 # Removing break before 78 # Removing break before 78 # Removing break before 84 # jumping subtree containing (T0187)E312 jump= -0.087583 0.219532 0.319067 0.917786 -149.709 8.51264 52.346 # jumping subtree containing (T0187)L301 jump= 0.544301 -0.594075 -0.24876 -0.537522 -71.0989 21.9902 67.6086 # jumping subtree containing (T0187)N326 jump= 0.439131 0.312565 -0.487294 0.687031 -169.892 -27.6236 74.662 # jumping subtree containing (T0187)N385 jump= 0.730722 0.528268 -0.268503 0.338947 -62.0577 -22.386 27.6884 # jumping subtree containing (T0187)C346 jump= 0.971053 -0.236583 0.0205309 0.0257657 -22.4302 12.1924 -29.0088 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= 0.938352 -0.329033 -0.0739085 0.0759657 -30.0943 59.0565 -33.0954 # jumping subtree containing (T0187)A369 jump= -0.5837 0.253756 -0.145526 0.757446 -88.7639 -140.841 -7.70733 # Removing break before 78 # Removing break before 84 # Removing break before 35 # generation 131: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6322 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 622 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 684 ## JiggleSubtree 323 ## OptSubtree 1465 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V408 jump= -0.707711 0.00127143 0.401623 0.581242 -123.619 -83.0288 59.9429 # jumping subtree containing (T0187)N385 jump= 0.998742 0.00202179 -0.0493911 -0.00847131 -0.70419 4.4764 34.5233 # Removing break before 35 # jumping subtree containing (T0187)E312 jump= 0.950424 -0.124306 0.256428 0.124444 7.82166 48.2752 -54.5267 # Removing break before 78 # jumping subtree containing (T0187)G402 jump= 0.362316 0.062296 -0.926462 0.0807096 -250.012 -33.2 -9.69168 # jumping subtree containing (T0187)A336 jump= 0.62544 -0.392231 -0.156129 0.656204 -185.418 122.49 -62.9023 # jumping subtree containing (T0187)V408 jump= -0.939961 0.279685 0.183675 0.0671781 -40.6487 11.3501 36.8952 # jumping subtree containing (T0187)A336 jump= 0.850466 -0.463563 0.180002 -0.171513 13.1984 -35.9816 -52.6793 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= 0.306132 0.111521 -0.326713 -0.887189 -253.219 -73.0399 17.4077 # jumping subtree containing (T0187)V408 jump= -0.999713 0.00849068 0.0176074 0.013839 -18.2878 0.450218 13.7032 # jumping subtree containing (T0187)V408 jump= 0.109751 -0.714191 0.544689 0.425675 -116.411 -73.5562 -144.017 # jumping subtree containing (T0187)V408 jump= 0.379345 -0.588234 -0.0807994 -0.709612 -76.321 -37.2462 74.9472 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.450059 -0.0767312 -0.193583 0.868381 -180.998 -104.857 -12.6343 # generation 132: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6322 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 631 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 689 ## JiggleSubtree 323 ## OptSubtree 1475 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.714155 0.622483 -0.281631 -0.152258 -27.8768 46.6307 -137.982 # Removing break before 84 # jumping subtree containing (T0187)A359 jump= 0.0288581 -0.139256 -0.774539 -0.616332 -198.021 8.69175 1.23626 # Removing break before 35 # jumping subtree containing (T0187)P379 jump= 0.294525 -0.694826 -0.650229 -0.0876049 -92.4301 86.2185 -27.1073 # jumping subtree containing (T0187)V408 jump= -0.870244 0.109257 -0.244547 -0.413442 -34.1881 100.029 -42.2123 # jumping subtree containing (T0187)L301 jump= 0.0867129 -0.762281 -0.146105 0.624549 -192.079 27.2915 -226.142 # jumping subtree containing (T0187)A336 jump= -0.646507 0.684723 0.331662 0.056426 -25.4263 92.5622 -16.0571 # jumping subtree containing (T0187)V408 jump= 0.94215 -0.272002 -0.167975 -0.100761 -14.0797 15.4533 47.9823 # jumping subtree containing (T0187)V408 jump= -0.78248 -0.042447 -0.0760483 0.616554 -75.9927 -97.1332 -7.30252 # Removing break before 35 # jumping subtree containing (T0187)D358 jump= 0.767437 -0.609182 0.188769 0.0655999 -37.0173 -4.27464 -113.202 # jumping subtree containing (T0187)A336 jump= -0.418766 -0.539215 -0.0702381 -0.727288 -82.4375 59.5149 80.8615 # Removing break before 35 # generation 133: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6322 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 636 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 694 ## JiggleSubtree 323 ## OptSubtree 1489 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= 0.597326 0.792461 0.122472 -0.0144195 -17.98 -20.5147 -99.8097 # jumping subtree containing (T0187)S395 jump= 0.972949 0.0872887 0.158301 -0.143845 -16.9015 -41.9945 -55.7516 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)P379 jump= -0.910552 -0.0846949 0.391588 -0.101882 -91.6063 17.5831 94.8257 # jumping subtree containing (T0187)V408 jump= -0.927513 0.0473741 0.299465 -0.218624 -65.595 73.8461 68.6677 # Removing break before 35 # Removing break before 78 # Removing break before 84 # jumping subtree containing (T0187)A369 jump= 0.586237 0.43287 0.427017 -0.535356 -159.241 -43.5219 -170.685 # jumping subtree containing (T0187)A369 jump= 0.75806 0.622562 -0.0797225 0.177217 23.1526 -6.06234 22.0117 # jumping subtree containing (T0187)V408 jump= -0.986437 0.0354896 -0.0710056 0.143671 8.43676 -51.5182 -8.55319 # Removing break before 35 # generation 134: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6321 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 640 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 700 ## JiggleSubtree 323 ## OptSubtree 1503 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N385 jump= -0.833627 0.53293 -0.132792 -0.058456 6.36267 43.4796 -87.0881 # Removing break before 78 # Removing break before 84 # Removing break before 78 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)G362 jump= 0.61789 0.305835 0.62394 0.367935 -124.885 139.383 -125.96 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= -0.329908 0.455221 0.76986 -0.302076 -238.016 129.383 -40.1832 # Removing break before 78 # jumping subtree containing (T0187)D358 jump= -0.577254 -0.203641 -0.773515 0.164261 -158.698 0.738009 -173.564 # jumping subtree containing (T0187)V408 jump= -0.687299 -0.275089 -0.671497 0.0322205 -92.5078 43.6517 -190.265 # jumping subtree containing (T0187)V408 jump= -0.079761 0.116206 0.216473 0.966061 -301.159 15.7254 21.2492 # jumping subtree containing (T0187)A369 jump= 0.0106123 0.454143 -0.783756 0.423518 -228.421 -124.671 24.1436 # Removing break before 78 # Removing break before 35 # generation 135: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6321 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 651 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 704 ## JiggleSubtree 323 ## OptSubtree 1512 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N385 jump= 0.109167 0.724438 -0.144982 0.665021 -89.167 -31.4124 85.2641 # Removing break before 78 # jumping subtree containing (T0187)A336 jump= -0.212441 -0.357461 -0.222289 -0.881861 -186.86 61.9582 57.0064 # Removing break before 84 # jumping subtree containing (T0187)A336 jump= 0.975205 0.0485551 -0.100252 0.191226 -52.5221 50.8752 23.3162 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)A336 jump= 0.808624 -0.42309 0.330973 0.239956 -19.5342 67.2777 -127.855 # Removing break before 78 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)D358 jump= -0.311262 0.112935 0.127065 -0.934995 -269.25 128.065 -24.2072 # Removing break before 35 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= -0.569337 0.72366 -0.311382 0.234974 -34.0208 -92.4355 -38.0752 # jumping subtree containing (T0187)P379 jump= 0.765845 -0.514301 -0.226381 0.312616 -81.1886 133.482 -32.9851 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)N385 jump= -0.652804 -0.0282478 -0.740805 -0.155748 -128.228 38.1785 -197.319 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= 0.690819 -0.676519 -0.242489 -0.0793086 -43.215 75.4909 44.4837 # generation 136: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6321 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 660 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 712 ## JiggleSubtree 323 ## OptSubtree 1520 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D358 jump= -0.374644 0.254102 0.8096 0.37366 -241.686 56.3467 58.2193 # Removing break before 35 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= -0.13161 -0.73623 -0.0608713 -0.661013 -86.7449 74.8069 101.933 # jumping subtree containing (T0187)L301 jump= 0.00209417 0.091608 0.597006 0.796986 -306.643 90.1212 -15.2389 # jumping subtree containing (T0187)A369 jump= -0.996502 0.00734519 0.0644584 -0.0526826 -22.6246 16.6105 -4.58953 # jumping subtree containing (T0187)A336 jump= 0.751244 0.239228 -0.217305 -0.575483 -112.984 -147.449 17.1728 # generation 137: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.632 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 668 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 717 ## JiggleSubtree 323 ## OptSubtree 1531 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)A336 jump= 0.777376 0.62423 0.0368984 -0.0682802 -3.08822 -60.1858 -33.1221 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= 0.867562 0.0250928 -0.227736 0.44141 -87.4325 104.122 59.8261 # jumping subtree containing (T0187)A369 jump= -0.829871 0.296508 0.175877 0.438707 -96.9821 -56.899 67.2819 # jumping subtree containing (T0187)V343 jump= -0.9393 -0.1941 -0.0117697 0.282671 -7.63492 -88.3296 -21.6024 # jumping subtree containing (T0187)V408 jump= -0.71743 0.0879354 -0.266187 0.637735 -121.316 -165.081 -70.8627 # Removing break before 78 # Removing break before 78 # Removing break before 78 # Removing break before 35 # Removing break before 84 # jumping subtree containing (T0187)A369 jump= 0.937313 -0.144382 0.0524478 0.312806 -18.9716 83.8615 -51.8061 # Removing break before 78 # generation 138: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.632 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 676 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 720 ## JiggleSubtree 323 ## OptSubtree 1544 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= 0.812467 -0.518202 0.255822 0.0769347 0.936305 46.1391 -98.9824 # jumping subtree containing (T0187)S395 jump= 0.987411 -0.0777365 -0.137635 -0.00574755 -48.8085 6.64583 40.6793 # jumping subtree containing (T0187)V408 jump= -0.913816 0.138862 -0.132019 0.35809 -42.2707 -84.9542 -13.0854 # jumping subtree containing (T0187)E312 jump= -0.90461 -0.012182 -0.419482 -0.0746169 -2.00045 23.0096 -137.615 # Removing break before 35 # jumping subtree containing (T0187)L301 jump= 0.941694 0.286568 -0.158524 0.0772035 -24.8578 -25.3312 14.8374 # Removing break before 78 # jumping subtree containing (T0187)A369 jump= -0.924624 -0.255707 -0.0748324 0.272185 -34.6263 -98.7796 -36.991 # jumping subtree containing (T0187)T401 jump= 0.99795 -0.0292473 -0.0483548 0.0300319 15.1522 -0.875589 23.3469 # jumping subtree containing (T0187)V408 jump= 0.961443 0.149079 0.172281 0.154017 -17.8248 49.4908 -71.2765 # jumping subtree containing (T0187)A336 jump= 0.985076 0.158185 0.0537546 -0.0413957 27.9506 -41.2405 -15.1813 # generation 139: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.632 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 685 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 724 ## JiggleSubtree 323 ## OptSubtree 1560 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # Removing break before 78 # Removing break before 35 # Removing break before 84 # Removing break before 78 # jumping subtree containing (T0187)N385 jump= -0.3691 0.769375 -0.105559 -0.510572 -132.4 70.3617 -172.953 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.677185 -0.635641 0.364596 -0.0667099 -13.8635 -41.4938 -133.905 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)A359 jump= 0.995434 0.055016 0.0459403 0.0630421 -5.37267 32.9404 8.06425 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= 0.999977 0.0035483 0.00261295 0.00524912 4.87463 3.67516 12.4667 # Removing break before 84 # jumping subtree containing (T0187)V408 jump= -0.788586 0.530613 0.270096 0.153721 -50.5362 35.0136 64.6522 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= -0.999981 -0.00447498 -0.00305113 0.00297241 -6.35369 -26.6346 -4.05907 # Removing break before 35 # generation 140: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.632 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 694 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 730 ## JiggleSubtree 323 ## OptSubtree 1569 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= 0.793023 0.00812445 -0.589036 -0.155191 -139.31 -20.8556 108.36 # jumping subtree containing (T0187)E341 jump= 0.268066 0.911111 -0.0407237 0.310418 -6.37019 -0.181732 23.2012 # jumping subtree containing (T0187)N326 jump= -0.998255 0.0386246 0.0444692 -0.0042944 -19.3784 2.96574 19.5859 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= 0.611306 -0.061519 -0.593842 -0.519492 -193.997 -52.4505 98.0411 # Removing break before 35 # jumping subtree containing (T0187)L301 jump= -0.985925 -0.0802571 -0.0484126 0.138445 -22.3588 -42.881 -27.4611 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= -0.616387 0.188138 0.28158 -0.710904 -194.801 109.358 -11.9578 # jumping subtree containing (T0187)N385 jump= 0.117351 0.709533 0.683402 -0.125516 -169.019 117.06 -164.198 # jumping subtree containing (T0187)V408 jump= 0.92088 0.0557308 -0.263742 -0.281629 -76.6915 -103.716 50.5536 # Removing break before 78 # generation 141: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.632 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 700 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 735 ## JiggleSubtree 323 ## OptSubtree 1582 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G362 jump= -0.277902 -0.85957 0.259039 -0.341772 -24.2313 0.690445 44.1161 # jumping subtree containing (T0187)A369 jump= -0.769492 -0.315474 0.0642806 0.551567 -136.856 -139.183 -42.9273 # jumping subtree containing (T0187)A369 jump= -0.128197 0.916056 0.0417881 0.377704 4.02324 38.9791 48.7782 # Removing break before 84 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)L301 jump= -0.985956 0.0771493 0.000952832 0.148112 4.17468 -35.83 -24.3114 # jumping subtree containing (T0187)S395 jump= -0.959263 0.00985633 -0.274967 -0.0641109 15.6969 17.2398 -91.3183 # jumping subtree containing (T0187)S395 jump= -0.842995 -0.219563 -0.211838 0.44303 -89.5875 -130.806 -98.3003 # generation 142: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.632 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 714 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 737 ## JiggleSubtree 323 ## OptSubtree 1590 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)L301 jump= -0.738943 0.242096 0.628338 -0.0233277 -156.064 58.9642 84.7071 # jumping subtree containing (T0187)N385 jump= 0.791899 -0.237704 0.366361 -0.426817 -69.2023 -150.478 -76.6841 # jumping subtree containing (T0187)I413 jump= -0.980442 0.0843712 0.0849172 -0.156218 -17.0046 71.7101 26.1306 # Removing break before 35 # Removing break before 35 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= -0.718047 -0.576198 -0.360536 -0.149724 -1.18037 56.7353 -89.4421 # jumping subtree containing (T0187)V408 jump= 0.23549 0.0128501 0.0661567 -0.969537 -309.26 -51.8469 9.66343 # jumping subtree containing (T0187)A336 jump= 0.638549 0.505855 -0.430601 0.388521 -94.044 -53.8377 101.053 # jumping subtree containing (T0187)E312 jump= -0.101068 0.650835 0.597857 0.456908 -162.052 154.234 -12.7023 # generation 143: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.632 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 723 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 741 ## JiggleSubtree 323 ## OptSubtree 1601 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)G405 jump= -0.458151 -0.0799099 0.435219 0.770906 -291.766 -95.5952 0.870918 # Removing break before 84 # jumping subtree containing (T0187)N326 jump= 0.703947 0.128633 -0.678505 -0.165958 -193.162 -53.288 82.7783 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)N326 jump= -0.901443 -0.044739 0.325887 -0.281418 -67.2096 60.6161 63.276 # jumping subtree containing (T0187)L301 jump= -0.989036 -0.0172351 -0.1464 0.00881752 13.1305 -22.416 -35.5811 # jumping subtree containing (T0187)N326 jump= 0.496131 0.48318 -0.446613 0.566505 -141.531 -48.9506 103.3 # jumping subtree containing (T0187)V408 jump= -0.30021 0.609666 0.665168 -0.309407 -211.569 157.471 -63.0239 # Removing break moved up 3 to before 110 # generation 144: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.632 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 730 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 745 ## JiggleSubtree 323 ## OptSubtree 1614 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P379 jump= 0.106192 -0.55919 0.529032 0.629409 -245.948 -35.0797 -200.762 # Removing break before 35 # Removing break before 84 # jumping subtree containing (T0187)V408 jump= 0.999991 0.00417961 0.000116912 0.000111664 -20.0542 13.2409 -5.41903 # jumping subtree containing (T0187)I363 jump= 0.978915 0.159735 0.0969729 -0.0824964 -17.8139 -3.81341 -40.025 # Removing break before 78 # jumping subtree containing (T0187)P379 jump= 0.612774 -0.1686 0.332859 -0.696626 -155.635 -146.788 -50.2434 # Removing break before 35 # jumping subtree containing (T0187)N326 jump= -0.600603 -0.189333 0.707532 -0.320667 -222.481 -2.59576 94.3785 # jumping subtree containing (T0187)N326 jump= 0.379763 0.18947 -0.904616 0.0393819 -270.807 -74.196 -0.939699 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)L301 jump= -0.906853 -0.26293 -0.313281 0.101688 -20.4492 -36.202 -124.282 # Removing break before 35 # Removing break before 84 # jumping subtree containing (T0187)A369 jump= -0.992246 0.037458 0.0262271 -0.115573 -17.2911 40.0086 22.3891 # jumping subtree containing (T0187)N385 jump= 0.855395 -0.359185 0.0264545 -0.372271 -11.1574 -76.3118 26.2995 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= -0.536519 -0.0496987 0.702947 -0.464267 -248.919 45.2878 93.6894 # jumping subtree containing (T0187)E341 jump= -0.87024 -0.407367 0.239516 0.139165 -55.0038 -108.287 45.2859 # generation 145: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6319 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 738 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 747 ## JiggleSubtree 323 ## OptSubtree 1628 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break moved up 3 to before 110 # Removing break before 78 # jumping subtree containing (T0187)A336 jump= -0.140909 0.384124 -0.569316 0.713072 -224.185 -153.063 4.07402 # jumping subtree containing (T0187)V408 jump= -0.0526584 0.725212 -0.0854542 0.68117 -85.7564 -22.8277 118.755 # Removing break before 35 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)A336 jump= 0.919291 -0.158672 0.339467 0.12037 -16.5881 11.3692 -100.23 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= -0.872953 0.164173 0.132537 0.439811 -92.7476 -116.081 68.5219 # jumping subtree containing (T0187)V408 jump= 0.597963 0.551668 0.0786212 -0.576125 -156.427 -111.086 -135.124 # jumping subtree containing (T0187)L392 jump= 0.989082 0.00418492 0.145645 0.0220814 35.4701 12.1992 -61.5023 # jumping subtree containing (T0187)I335 jump= 0.131925 0.184725 -0.744587 0.627744 -310.958 -83.8378 -32.1187 # jumping subtree containing (T0187)V408 jump= 0.876348 -0.42155 0.186022 0.140376 -1.35427 61.0758 -102.56 # jumping subtree containing (T0187)A391 jump= 0.534384 -0.29413 0.620724 0.492568 -189.818 59.3519 -205.63 # generation 146: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6319 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 749 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 751 ## JiggleSubtree 323 ## OptSubtree 1637 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= -0.274206 -0.455492 0.110791 -0.839681 -191.344 27.956 96.3133 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= 0.83531 0.48123 -0.25162 0.0857999 -72.336 -83.6946 45.9453 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= 0.234507 -0.7384 0.49362 -0.395109 -73.3618 -146.524 10.1816 # Removing break before 78 # jumping subtree containing (T0187)G405 jump= 0.92611 0.204131 0.313452 -0.0489871 1.18474 3.97587 -127.447 # jumping subtree containing (T0187)D358 jump= -0.180463 0.13413 -0.267437 -0.936974 -390.922 71.5061 -85.4532 # jumping subtree containing (T0187)A369 jump= 0.820871 0.564746 -0.0849626 -0.00368185 -17.2233 -30.8951 -11.2033 # jumping subtree containing (T0187)V408 jump= -0.976768 -0.107624 0.0378403 0.18141 -28.2722 -75.4468 2.86042 # jumping subtree containing (T0187)E312 jump= -0.974455 -0.0205426 -0.223063 -0.0160754 -4.45442 14.8267 -75.6518 # Removing break before 35 # Removing break moved up 3 to before 110 # jumping subtree containing (T0187)A369 jump= 0.948903 -0.0490815 0.0377698 -0.309431 -22.8436 -85.4487 -32.2763 # jumping subtree containing (T0187)T401 jump= -0.937709 0.319595 0.0620259 -0.121299 -19.9324 88.2297 17.4622 # jumping subtree containing (T0187)V408 jump= 0.81108 -0.0916699 0.483158 -0.316707 -60.856 -110.538 -128.625 # generation 147: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6319 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 758 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 755 ## JiggleSubtree 323 ## OptSubtree 1648 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break before 78 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)A336 jump= 0.799173 -0.308509 -0.123511 0.50089 -123.33 153.227 -8.54601 # Removing break before 35 # jumping subtree containing (T0187)C346 jump= -0.898202 -0.232382 0.353399 -0.119752 -94.6033 -16.8441 99.4541 # jumping subtree containing (T0187)D358 jump= -0.90521 0.0654936 -0.108175 0.405714 -59.11 -86.8841 4.40693 # jumping subtree containing (T0187)L301 jump= -0.885414 0.294879 0.0207052 -0.358691 -74.2374 140.368 -54.7503 # jumping subtree containing (T0187)P379 jump= -0.626803 0.639427 0.353377 0.27088 -83.0663 56.9585 81.8157 # jumping subtree containing (T0187)A359 jump= 0.816933 0.414465 0.166184 0.364997 1.24771 95.1403 -23.8884 # jumping subtree containing (T0187)E312 jump= 0.841948 -0.307128 0.443351 -0.0153291 -2.47631 -40.0776 -162.428 # generation 148: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6318 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 770 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 762 ## JiggleSubtree 323 ## OptSubtree 1653 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V408 jump= -0.877985 -0.384513 0.0404278 0.282236 -50.1764 -117.913 -54.5133 # Removing break before 78 # Removing break before 35 # Removing break before 78 # Removing break before 84 # jumping subtree containing (T0187)T404 jump= 0.765663 0.237958 -0.214666 0.557723 -134.464 85.7182 87.7174 # Removing break before 84 # jumping subtree containing (T0187)P379 jump= 0.853105 0.258734 -0.26525 -0.367302 -89.2558 -123.863 30.642 # jumping subtree containing (T0187)V408 jump= 0.362842 0.466776 -0.583275 0.557006 -203.114 -85.8589 85.1789 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.512902 -0.0104798 0.565078 -0.646148 -293.387 83.8124 68.0527 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)D358 jump= 0.82814 -0.183368 0.529677 -0.00154608 -67.5702 -23.224 -213.716 # jumping subtree containing (T0187)I363 jump= 0.137616 -0.522971 -0.778011 0.319784 -204.8 119.47 -72.6077 # jumping subtree containing (T0187)P379 jump= -0.329555 -0.480186 0.00450457 0.812893 -276.823 -123.457 -165.763 # jumping subtree containing (T0187)A369 jump= 0.771126 -0.283073 0.4204 0.385355 -104.875 132.209 -200.849 # Removing break before 35 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)A369 jump= 0.794371 0.236225 -0.431567 0.356261 -160.573 39.2329 112.789 # jumping subtree containing (T0187)V408 jump= 0.519787 0.817429 0.221036 0.113025 -16.0486 22.6739 -98.268 # generation 149: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6315 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 778 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 771 ## JiggleSubtree 324 ## OptSubtree 1659 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 84 # jumping subtree containing (T0187)V408 jump= -0.772706 -0.25801 -0.571238 -0.100216 -48.8977 76.2737 -183.014 # jumping subtree containing (T0187)A369 jump= -0.688382 0.341674 -0.0510432 -0.637795 -146.89 189.072 -103.783 # jumping subtree containing (T0187)N385 jump= 0.947641 -0.0758227 -0.229749 0.208428 -65.1069 73.2469 65.8215 # jumping subtree containing (T0187)L301 jump= 0.947695 -0.0891375 -0.0280885 0.305187 -20.1134 93.1121 -14.9105 # jumping subtree containing (T0187)V408 jump= 0.558548 -0.435325 0.683837 -0.175738 -119.266 -137.401 -174.185 # Removing break before 78 # jumping subtree containing (T0187)A369 jump= -0.772128 0.328144 0.0738367 0.539155 -68.002 -79.8373 64.0107 # jumping subtree containing (T0187)V408 jump= -0.980391 0.165071 -0.0989106 -0.0424454 1.93085 37.4383 -39.1592 # jumping subtree containing (T0187)Y382 jump= 0.0839854 0.194931 0.825141 0.523536 -306.234 114.283 -71.5411 # jumping subtree containing (T0187)V408 jump= -0.996563 -0.00388237 0.0429442 -0.0707343 -7.38213 24.8476 11.5817 # generation 150: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6314 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 783 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 777 ## JiggleSubtree 324 ## OptSubtree 1672 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 84 # Removing break before 78 # Removing break before 84 # jumping subtree containing (T0187)G362 jump= 0.69158 0.320252 0.400774 0.508465 -96.8987 181.962 -93.4517 # Removing break before 78 # jumping subtree containing (T0187)A369 jump= 0.989153 -0.0754878 -0.0990346 0.0779105 -1.25925 36.2182 54.7628 # jumping subtree containing (T0187)A369 jump= -0.00243675 0.632691 -0.761593 -0.140256 -237.919 -172.256 -152.317 # jumping subtree containing (T0187)V408 jump= 0.192891 -0.612669 -0.766154 0.0209517 -222.87 175.168 -83.4471 # jumping subtree containing (T0187)S395 jump= 0.956371 0.250206 -0.108059 0.105234 -26.6028 -24.483 43.4711 # jumping subtree containing (T0187)A369 jump= -0.559702 -0.226701 0.759217 0.242756 -319.47 -101.567 53.0829 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)N385 jump= 0.597825 0.144214 -0.0608178 -0.786199 -304.624 -180.008 -45.3098 # jumping subtree containing (T0187)G405 jump= -0.806448 0.453084 0.277513 0.259506 -57.6076 29.0829 52.1448 # jumping subtree containing (T0187)A369 jump= 0.927357 -0.149705 -0.0404928 -0.340526 -67.4509 -104.88 36.152 # Removing break before 78 # jumping subtree containing (T0187)L301 jump= -0.0943299 -0.719029 0.686391 0.0544647 -202.098 -183.519 -145.627 # jumping subtree containing (T0187)N385 jump= -0.843214 -0.295331 0.391913 -0.219484 -103.147 -37.1902 85.7442 # jumping subtree containing (T0187)P379 jump= -0.300401 0.573885 0.620864 0.441524 -178.279 122.973 32.5853 # jumping subtree containing (T0187)L307 jump= 0.545851 0.139448 -0.165824 -0.809385 -214.516 -165.997 -0.511679 # jumping subtree containing (T0187)V408 jump= -0.807798 -0.286931 -0.303666 0.415837 -67.2895 -119.262 -114.799 # generation 151: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6314 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 792 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 782 ## JiggleSubtree 324 ## OptSubtree 1684 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= 0.0714877 -0.898863 0.0200177 0.431895 -121.342 -0.567747 -275.353 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= 0.151763 -0.78689 -0.537343 0.262745 -199.202 215.966 -192.422 # jumping subtree containing (T0187)D358 jump= -0.907971 -0.0072243 0.406033 -0.103315 -87.0714 21.4612 110.656 # Removing break before 35 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= -0.86977 -0.38604 0.055204 0.302369 -65.1007 -151.759 -30.8324 # Removing break before 35 # Removing break before 84 # generation 152: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6314 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 806 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 789 ## JiggleSubtree 324 ## OptSubtree 1694 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N385 jump= 0.0295152 0.790403 0.496779 0.357214 -144.458 209.224 -26.6639 # jumping subtree containing (T0187)A369 jump= 0.873813 0.249438 0.20053 0.366087 -5.29227 127.128 -47.8578 # jumping subtree containing (T0187)A369 jump= -0.966049 -0.156836 0.160242 -0.128349 -45.0525 -10.5894 58.048 # jumping subtree containing (T0187)G405 jump= 0.737059 0.541776 -0.302373 0.267944 -57.7456 -20.5561 106.208 # jumping subtree containing (T0187)T404 jump= -0.113639 -0.48588 0.866578 -0.00707946 -313.446 -158.963 -92.7614 # Removing break before 78 # jumping subtree containing (T0187)A336 jump= 0.999846 -0.00539194 -0.0162207 -0.00402284 1.80658 -24.6703 19.9838 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)N326 jump= -0.746018 -0.418881 -0.255999 -0.449956 -6.98947 161.514 -50.9096 # Removing break before 78 # jumping subtree containing (T0187)N326 jump= -0.0238092 0.0910951 0.939292 0.329949 -399.237 64.7266 -148.185 # jumping subtree containing (T0187)G405 jump= -0.538827 0.675774 0.0493025 0.500564 -87.413 -34.9665 101.701 # Removing break before 35 # jumping subtree containing (T0187)N326 jump= 0.181686 -0.718621 0.449081 -0.4989 -63.8193 -153.031 -0.880976 # Removing break before 78 # generation 153: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6314 cost/residue, 320 clashes 0.117511 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 68 ## TwoFragment 12 ## CrossOver 813 ## CrossAndInsert 26 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 799 ## JiggleSubtree 324 ## OptSubtree 1701 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= -0.715722 -0.676035 -0.165771 -0.0569146 -2.44353 31.1562 -107.357 # jumping subtree containing (T0187)I363 jump= 0.155895 0.0460716 0.195194 0.967199 -353.081 58.1051 -9.97648 # jumping subtree containing (T0187)V408 jump= 0.359956 0.27773 -0.869786 -0.191754 -362.963 -136.717 -25.6006 # jumping subtree containing (T0187)N385 jump= 0.82763 -0.403255 -0.277915 -0.274184 -96.7672 44.776 128.56 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= -0.212644 0.419536 -0.501537 0.726108 -252.84 -159.136 32.3701 # jumping subtree containing (T0187)N385 jump= 0.572883 0.0109115 -0.537058 -0.619076 -301.281 -79.8427 67.9164 # Removing break before 78 # jumping subtree containing (T0187)N385 jump= 0.917985 -0.379325 0.0519231 -0.103542 30.8492 9.41269 -27.423 # Removing break before 78 # Removing break before 35 # Removing break before 35 # Removing break before 35 # generation 154: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6096 cost/residue, 311 clashes 0.119905 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 69 ## TwoFragment 12 ## CrossOver 823 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 804 ## JiggleSubtree 324 ## OptSubtree 1708 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S395 jump= -0.193469 -0.508358 0.691051 -0.476015 -280.729 -160.255 37.79 # Removing break before 35 # jumping subtree containing (T0187)N326 jump= -0.508816 -0.712316 -0.125366 0.4669 -155.64 -112.422 -278.446 # Removing break before 35 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)G361 jump= 0.659456 0.338406 -0.426055 -0.518725 -231.548 -171.626 -18.6765 # Removing break before 84 # jumping subtree containing (T0187)V408 jump= 0.947289 -0.294873 -0.0983 0.077651 -35.9002 97.4415 41.3562 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.62538 -0.611099 -0.476121 -0.0936335 -54.6827 91.5336 -199.867 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.723865 0.2468 -0.215242 0.607272 -158.803 129.159 84.617 # jumping subtree containing (T0187)V408 jump= -0.583969 0.650218 0.467938 -0.131264 -154.439 210.487 -5.84359 # generation 155: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6096 cost/residue, 311 clashes 0.119905 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 69 ## TwoFragment 12 ## CrossOver 830 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 805 ## JiggleSubtree 326 ## OptSubtree 1722 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P379 jump= 0.0617656 0.819937 0.537695 -0.186474 -156.99 155.963 -218.883 # jumping subtree containing (T0187)E312 jump= -0.527937 -0.053897 -0.739179 0.41472 -201.259 -102.976 -236.683 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= -0.172146 0.812764 0.431712 0.35129 -99.3047 189.657 -24.4829 # Removing break before 35 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= -0.551672 -0.147715 -0.0746366 -0.817476 -208.247 215.322 14.6302 # Removing break before 35 # generation 156: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6096 cost/residue, 311 clashes 0.119905 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 69 ## TwoFragment 12 ## CrossOver 837 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 810 ## JiggleSubtree 327 ## OptSubtree 1743 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V408 jump= -0.993745 0.0735023 0.00935482 0.0835563 -26.2396 -14.8669 22.6651 # Removing break before 78 # jumping subtree containing (T0187)D358 jump= 0.753191 -0.515058 -0.397531 0.0968871 -105.968 159.979 14.5251 # Removing break before 84 # jumping subtree containing (T0187)A336 jump= 0.951946 0.216685 0.123229 0.177937 23.3138 62.8743 -32.9532 # jumping subtree containing (T0187)V408 jump= 0.995402 0.0916016 0.0204052 0.0191645 -4.39143 6.74661 -3.9653 # Removing break before 78 # jumping subtree containing (T0187)L301 jump= -0.732907 -0.163767 -0.551774 0.362729 -136.114 -127.907 -263.073 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= -0.999354 -0.0205182 0.0250952 -0.0155299 5.22991 -0.818715 28.6196 # Removing break before 84 # jumping subtree containing (T0187)A336 jump= 0.813001 0.0549629 0.385463 -0.432928 -72.6038 -183.64 -157.183 # jumping subtree containing (T0187)V408 jump= -0.000936849 0.692643 -0.0266125 -0.720789 -272.483 51.0596 -275.66 # jumping subtree containing (T0187)D358 jump= -0.373701 -0.749176 0.17698 0.517456 -173.373 -150.576 -211.544 # Removing break before 35 # generation 157: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6096 cost/residue, 311 clashes 0.119905 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 69 ## TwoFragment 12 ## CrossOver 840 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 817 ## JiggleSubtree 327 ## OptSubtree 1757 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.43578 -0.520867 0.583261 -0.445646 -146.54 -186.236 -56.0513 # Removing break before 35 # Removing break before 35 # Removing break before 78 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.772842 0.464894 0.281541 -0.327603 -69.5148 -125.239 -191.303 # jumping subtree containing (T0187)A336 jump= 0.641401 0.698891 0.313532 0.0430639 -0.578691 12.3248 -174.525 # Removing break before 84 # Removing break before 84 # jumping subtree containing (T0187)V408 jump= 0.805935 0.412075 0.242376 0.349165 -47.4648 151.411 -62.5295 # Removing break before 84 # jumping subtree containing (T0187)L301 jump= -0.528606 0.138118 -0.823051 0.155197 -207.616 -92.6642 -261.374 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.693583 -0.0985156 -0.420479 -0.576572 -253.417 -116.269 117.275 # jumping subtree containing (T0187)E312 jump= -0.106391 0.313677 0.884948 0.327344 -342.135 147.997 -89.7414 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.726339 -0.161942 0.0598376 0.665301 -183.19 203.429 -64.0469 # jumping subtree containing (T0187)S395 jump= -0.00908068 -0.358577 0.900824 0.244654 -373.507 -82.9536 -185.986 # generation 158: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6095 cost/residue, 311 clashes 0.119905 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 69 ## TwoFragment 12 ## CrossOver 850 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 821 ## JiggleSubtree 327 ## OptSubtree 1767 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= -0.404329 0.413117 -0.730223 -0.364178 -218.8 8.53786 -262.656 # Removing break before 84 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= 0.541462 -0.00146432 0.579158 0.60942 -199.861 172.471 -164.702 # jumping subtree containing (T0187)E312 jump= 0.991561 0.0891837 0.0762673 0.0551063 7.40999 -2.59356 -17.2711 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.756484 0.1385 -0.560348 0.307508 -210.747 3.69505 162.623 # Removing break before 35 # Removing break before 78 # Removing break before 35 # Removing break before 84 # generation 159: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6095 cost/residue, 311 clashes 0.119905 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 69 ## TwoFragment 12 ## CrossOver 858 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 825 ## JiggleSubtree 327 ## OptSubtree 1781 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 84 # jumping subtree containing (T0187)K303 jump= -0.920764 -0.219683 0.0481486 -0.318771 -2.72444 69.2521 13.6906 # Removing break before 35 # Removing break before 78 # Removing break before 84 # jumping subtree containing (T0187)A369 jump= 0.994647 0.033808 -0.00254123 -0.0976133 0.877912 -52.8514 -14.1161 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)E312 jump= 0.594766 0.105331 0.750257 -0.268837 -185.668 -94.585 -267.552 # generation 160: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6095 cost/residue, 311 clashes 0.119905 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 69 ## TwoFragment 12 ## CrossOver 867 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 830 ## JiggleSubtree 327 ## OptSubtree 1791 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= -0.995587 0.000249555 0.069203 0.0633838 -33.3781 -12.8916 20.1424 # Removing break before 78 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)C346 jump= -0.040599 -0.4377 0.0191607 0.898 -386.335 -4.95398 -192.72 # jumping subtree containing (T0187)T368 jump= 0.999998 0.000281844 0.00185216 0.000458868 20.0209 -21.7921 1.82667 # jumping subtree containing (T0187)E312 jump= -0.955695 -0.0283747 0.169894 0.238701 -67.5426 -71.7111 34.5558 # Removing break before 35 # Removing break before 35 # Removing break before 84 # jumping subtree containing (T0187)E312 jump= -0.998908 -0.0433116 0.0173783 0.00226573 -7.95438 -30.6046 11.0636 # jumping subtree containing (T0187)A336 jump= 0.987529 0.0983237 0.106244 0.061899 0.827127 27.0592 -52.3209 # Removing break before 78 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.701017 0.304804 -0.154577 -0.625919 -157.087 188.227 -135.578 # jumping subtree containing (T0187)V408 jump= -0.446546 0.849705 0.268629 -0.0802256 -66.768 177.779 -81.4108 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= 0.754349 -0.331916 0.0139658 0.566211 -144.062 200.394 -99.1206 # jumping subtree containing (T0187)V408 jump= -0.514341 0.458815 0.117586 -0.714924 -280.097 197.244 -127.835 # jumping subtree containing (T0187)A359 jump= 0.503474 -0.361577 0.511351 -0.595228 -190.596 -198.797 -79.7866 # generation 161: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.6095 cost/residue, 311 clashes 0.119905 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 69 ## TwoFragment 12 ## CrossOver 873 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 838 ## JiggleSubtree 327 ## OptSubtree 1801 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V408 jump= 0.428042 -0.340803 -0.419683 -0.724224 -307.428 13.336 115.912 # jumping subtree containing (T0187)V408 jump= -0.239614 -0.558794 -0.487134 -0.626924 -174.199 211.443 9.91559 # jumping subtree containing (T0187)L301 jump= -0.983277 -0.1451 0.0985747 -0.0489387 -0.178753 -11.825 53.5555 # Removing break before 84 # Removing break before 78 # jumping subtree containing (T0187)A369 jump= 0.993606 -0.0115674 -0.101875 -0.047277 -24.806 -9.69937 36.3695 # Removing break before 78 # Removing break before 84 # jumping subtree containing (T0187)G362 jump= -0.79713 -0.282568 0.327909 0.420969 -162.479 -175.923 41.3989 # Removing break before 35 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)A369 jump= -0.746821 0.539601 -0.170826 0.349151 8.47309 -75.4814 -11.5427 # jumping subtree containing (T0187)V408 jump= 0.607077 -0.0500067 0.792806 -0.0203694 -186.256 -1.75339 -266.053 # jumping subtree containing (T0187)S395 jump= 0.0947332 -0.699714 -0.491021 -0.51022 -186.929 190.005 39.7997 # jumping subtree containing (T0187)V408 jump= -0.724046 0.50803 -0.123439 -0.449918 -75.9633 169.474 -163.025 # jumping subtree containing (T0187)V408 jump= -0.379062 0.922151 0.0551405 -0.0539326 -10.603 125.735 -107.379 # Removing break before 35 # generation 162: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5409 cost/residue, 308 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 70 ## TwoFragment 12 ## CrossOver 880 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 847 ## JiggleSubtree 327 ## OptSubtree 1808 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= 0.79134 -0.0897073 0.191303 -0.573705 -127.699 -196.248 -27.5038 # jumping subtree containing (T0187)A369 jump= -0.0714652 0.317619 0.365525 0.872011 -306.814 72.8835 61.0005 # Removing break before 84 # Removing break before 78 # jumping subtree containing (T0187)N385 jump= -0.769794 0.326305 -0.406741 -0.368108 -82.4332 134.891 -194.612 # Removing break before 78 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.954582 0.203448 -0.146155 0.161308 9.11995 -54.0937 -61.0878 # Removing break before 35 # generation 163: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5409 cost/residue, 308 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 70 ## TwoFragment 12 ## CrossOver 888 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 855 ## JiggleSubtree 328 ## OptSubtree 1818 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break before 84 # jumping subtree containing (T0187)E312 jump= 0.492998 0.432931 0.152931 -0.73901 -256.245 -128.491 -161.074 # Removing break before 35 # jumping subtree containing (T0187)N385 jump= -0.998803 0.0106012 0.0145409 0.0454821 13.4097 -14.9073 -14.4212 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= 0.542443 -0.381989 0.158285 -0.73129 -179.517 -162.026 66.6335 # Removing break before 35 # jumping subtree containing (T0187)E312 jump= -0.407679 -0.305297 -0.477487 -0.71596 -203.634 215.107 -69.4507 # jumping subtree containing (T0187)E312 jump= 0.101493 0.0793558 -0.473755 -0.871182 -411.328 37.7759 -55.5425 # jumping subtree containing (T0187)A369 jump= 0.982577 0.128248 -0.0756264 0.111244 -16.8523 44.1573 29.1815 # generation 164: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5409 cost/residue, 308 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 70 ## TwoFragment 12 ## CrossOver 893 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 861 ## JiggleSubtree 330 ## OptSubtree 1838 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 84 # Removing break before 78 # Removing break before 84 # Removing break before 84 # Removing break before 78 # jumping subtree containing (T0187)I363 jump= -0.396064 -0.436463 -0.80782 0.00767492 -192.935 78.7751 -251.121 # jumping subtree containing (T0187)A369 jump= 0.0275679 0.96003 -0.125019 -0.248904 -67.6009 -47.0183 -247.318 # Removing break before 84 # Removing break before 35 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)A305 jump= 0.310966 0.00628516 -0.882437 -0.352939 -408.659 21.3712 -54.0046 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= -0.663787 -0.200163 0.379432 -0.612661 -231.622 89.7178 141.661 # generation 165: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5407 cost/residue, 308 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 70 ## TwoFragment 12 ## CrossOver 903 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 868 ## JiggleSubtree 330 ## OptSubtree 1845 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # jumping subtree containing (T0187)A359 jump= 0.680824 -0.32212 -0.507826 0.418126 -226.185 149.783 24.0723 # jumping subtree containing (T0187)A336 jump= -0.559081 0.0744837 0.824029 0.0534474 -356.28 13.2996 83.1145 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)E312 jump= -0.990641 -0.0195286 0.0357984 0.130258 -4.6145 -53.679 34.071 # jumping subtree containing (T0187)V408 jump= -0.229455 -0.118753 0.826945 -0.499409 -410.167 -32.3741 43.0549 # Removing break before 78 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)C346 jump= 0.912465 0.0663375 -0.282106 0.28883 -111.831 72.241 103.151 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.679261 -0.558611 0.458514 -0.127759 -133.998 -95.6814 79.0645 # generation 166: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5333 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 913 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 876 ## JiggleSubtree 330 ## OptSubtree 1850 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)C346 jump= -0.954774 -0.0423626 0.160784 -0.246498 -37.0353 81.5568 80.2729 # Removing break before 78 # jumping subtree containing (T0187)S395 jump= -0.64614 -0.0950531 -0.718785 -0.238362 -175.519 127.573 -266.459 # jumping subtree containing (T0187)L301 jump= -0.815861 0.303302 0.453913 -0.190633 -150.094 167.564 81.4791 # Removing break before 78 # jumping subtree containing (T0187)T357 jump= -0.495127 -0.823813 -0.0810407 0.263843 -35.1478 -105.012 -196.374 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.80987 -0.274599 0.083836 0.511544 -86.7863 207.107 -91.5143 # jumping subtree containing (T0187)A336 jump= -0.169936 0.0522644 0.485163 0.856158 -393.321 37.2048 16.4635 # jumping subtree containing (T0187)E312 jump= -0.00735006 0.425589 -0.805487 0.412324 -281.775 -174.956 -39.6079 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= -0.220501 0.768897 0.556459 0.224789 -147.708 186.14 -20.6558 # jumping subtree containing (T0187)I335 jump= 0.408108 -0.397044 0.805743 0.163039 -248.73 -57.393 -309.399 # Removing break before 35 # Removing break before 35 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= 0.111637 0.967549 0.0286623 -0.224865 -36.3327 -8.42416 -209.723 # generation 167: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5333 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 923 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 880 ## JiggleSubtree 333 ## OptSubtree 1861 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # jumping subtree containing (T0187)P379 jump= 0.979353 0.145987 -0.127411 0.057634 -39.8749 -11.159 34.9098 # Removing break before 35 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= 0.218009 -0.0334989 -0.596845 0.771444 -410.089 2.24797 2.03625 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.996346 -0.0456343 0.0623634 0.0363755 8.92314 -26.0024 36.8469 # jumping subtree containing (T0187)N385 jump= 0.274861 -0.301469 0.0240768 -0.912682 -278.679 -54.3462 99.207 # jumping subtree containing (T0187)V408 jump= -0.704667 0.119212 -0.664505 0.218326 -161.931 -86.9808 -232.185 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)P379 jump= 0.298327 -0.6857 0.622095 0.231979 -162.351 -57.643 -266.13 # Removing break before 35 # Removing break before 84 # jumping subtree containing (T0187)V408 jump= -0.962977 -0.0691554 -0.110622 0.235915 -5.49272 -107.789 -64.4016 # jumping subtree containing (T0187)V408 jump= 0.718229 -0.363976 0.0592055 0.590053 -172.02 223.335 -141.361 # Removing break before 84 # generation 168: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5331 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 930 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 886 ## JiggleSubtree 335 ## OptSubtree 1876 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I363 jump= -0.864327 0.461755 0.0631166 -0.189045 -45.5285 108.794 -59.1841 # jumping subtree containing (T0187)A359 jump= 0.929034 0.281133 0.0132762 0.240173 -32.5648 89.5093 21.6076 # jumping subtree containing (T0187)V408 jump= 0.890327 -0.0859143 0.0744099 0.440907 -73.4522 195.069 -32.5587 # jumping subtree containing (T0187)V408 jump= -0.104345 0.635258 0.452703 -0.616943 -311.879 138.586 -229.594 # Removing break before 35 # jumping subtree containing (T0187)P379 jump= -0.977494 -0.206258 -0.0344956 0.0278175 -10.7915 -12.5451 -20.234 # jumping subtree containing (T0187)N385 jump= -0.427286 0.0434297 -0.398085 0.810598 -274.927 -165.176 -66.464 # jumping subtree containing (T0187)V408 jump= -0.203959 -0.517325 -0.391424 -0.733187 -234.414 170.025 56.8195 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.622809 0.300974 0.0215441 -0.721845 -226.79 266.25 -115.658 # generation 169: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5331 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 938 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 894 ## JiggleSubtree 335 ## OptSubtree 1884 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= -0.302199 0.677741 0.665431 0.0808968 -189.06 204.187 -11.8271 # jumping subtree containing (T0187)S395 jump= -0.999802 -0.0124621 0.00859774 -0.0128941 14.0776 11.3024 -2.15448 # jumping subtree containing (T0187)P379 jump= -0.992583 -0.117297 0.0311329 -0.00716286 -12.7454 -22.0033 -2.49582 # jumping subtree containing (T0187)A369 jump= 0.702043 -0.248269 -0.65809 0.111423 -260.017 122.709 141.586 # jumping subtree containing (T0187)V408 jump= -0.720108 -0.664404 0.126507 0.154946 -42.5905 -126.321 -81.421 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= 0.67559 0.40766 -0.576375 0.212564 -193.532 -121.753 122.889 # jumping subtree containing (T0187)V408 jump= 0.520821 -0.657983 0.534152 -0.102396 -75.1224 -127.936 -152.422 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)P379 jump= 0.856276 0.512095 -0.0151494 0.0657296 -4.07437 -52.098 -12.4965 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)L345 jump= 0.132771 -0.824961 0.195101 -0.513563 -68.3675 -82.1512 27.1632 # jumping subtree containing (T0187)N385 jump= 0.275012 0.0297797 -0.945308 -0.172842 -402.392 -9.22794 -32.1581 # jumping subtree containing (T0187)I363 jump= 0.929908 0.284252 -0.12774 0.19533 -36.8138 4.07723 52.0412 # Removing break before 35 # generation 170: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5328 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 945 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 895 ## JiggleSubtree 336 ## OptSubtree 1899 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.87887 0.423867 0.0638723 -0.209392 -27.0847 134.417 -14.0737 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.2372 -0.281504 0.0143256 -0.92967 -338.946 143.862 121.017 # jumping subtree containing (T0187)V408 jump= -0.659082 0.0904037 -0.432595 -0.608522 -209.171 229.258 -204.245 # Removing break before 35 # Removing break before 84 # jumping subtree containing (T0187)V408 jump= -0.427789 -0.581335 0.432233 0.540575 -263.491 -189.197 -145.367 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)E312 jump= 0.994174 0.0347878 -0.0859506 0.0549496 -29.5627 22.1779 40.0951 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= 0.994812 0.0129727 0.0968605 0.0282558 9.26707 -9.78627 -43.7497 # jumping subtree containing (T0187)V408 jump= 0.873172 0.305606 0.0924134 -0.368286 -70.0281 -139.638 -125.632 # jumping subtree containing (T0187)N385 jump= -0.835093 0.422124 -0.232693 0.265115 -26.3761 -79.3294 -41.1768 # jumping subtree containing (T0187)V408 jump= 0.4091 -0.334072 0.414883 -0.740881 -268.93 -193.997 21.9393 # generation 171: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5328 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 949 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 902 ## JiggleSubtree 336 ## OptSubtree 1912 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= 0.280431 -0.0601522 -0.582276 -0.76072 -505.884 -18.8038 47.3491 # jumping subtree containing (T0187)L301 jump= -0.8112 -0.34721 0.46494 -0.0723205 -150.007 -110.701 150.887 # jumping subtree containing (T0187)V408 jump= -0.908233 0.374273 -0.12108 0.142729 -7.47199 -38.4449 -10.3352 # Removing break before 84 # jumping subtree containing (T0187)V408 jump= 0.196644 -0.638872 0.613231 -0.420858 -179.53 -184.351 -24.3297 # jumping subtree containing (T0187)E341 jump= -0.428271 0.339812 -0.744184 -0.383799 -294.546 20.9575 -308.984 # Removing break before 78 # jumping subtree containing (T0187)A369 jump= -0.999423 -0.0134919 0.020213 0.0237254 -15.9452 -25.2996 -15.246 # Removing break before 78 # Removing break before 84 # jumping subtree containing (T0187)A336 jump= 0.177966 -0.225495 -0.268837 -0.919351 -445.612 20.4335 127.119 # jumping subtree containing (T0187)A359 jump= 0.983073 0.124084 0.0739299 0.112717 -3.12305 45.0488 -45.2483 # Removing break before 78 # jumping subtree containing (T0187)P379 jump= -0.107999 0.131369 -0.553919 -0.815016 -484.028 97.937 -153.402 # jumping subtree containing (T0187)I363 jump= 0.898151 0.353987 -0.017985 -0.260181 -71.9534 -171.964 -65.5956 # generation 172: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5326 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 957 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 910 ## JiggleSubtree 336 ## OptSubtree 1920 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)G414 jump= 0.930127 -0.123055 -0.266405 0.220794 -91.8153 97.6851 90.7565 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.926252 -0.138004 -0.19675 -0.290348 -18.8653 115.888 -73.364 # jumping subtree containing (T0187)A359 jump= -0.781659 0.362865 0.324325 -0.390066 -191.209 226.271 25.7685 # jumping subtree containing (T0187)V408 jump= 0.1094 -0.891229 0.350351 -0.266452 -38.2704 -84.0088 -46.8313 # Removing break before 84 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.117898 0.749438 -0.645751 0.0863087 -185.974 -221.642 -79.8879 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= -0.439183 0.249057 -0.537419 0.675477 -291.261 -202.539 -74.5443 # Removing break before 84 # generation 173: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5324 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 963 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 915 ## JiggleSubtree 336 ## OptSubtree 1933 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 84 # jumping subtree containing (T0187)V408 jump= -0.782272 0.255624 0.0555304 0.565352 -181.177 -150.944 76.2722 # jumping subtree containing (T0187)C346 jump= 0.709237 -0.339599 0.23718 -0.57044 -160.606 -202.241 -17.4765 # Removing break before 84 # Removing break before 78 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)A369 jump= -0.838499 0.297653 0.214085 0.403101 -144.642 -71.517 126.945 # Removing break before 78 # Removing break before 35 # generation 174: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5324 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 969 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 926 ## JiggleSubtree 336 ## OptSubtree 1944 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)I363 jump= -0.0634837 0.180182 -0.217387 0.957208 -415.585 -77.448 47.5333 # jumping subtree containing (T0187)V408 jump= -0.346299 0.617101 0.26052 0.656805 -234.347 81.0474 171.747 # Removing break before 35 # Removing break before 84 # jumping subtree containing (T0187)S395 jump= -0.507887 -0.267983 -0.490554 0.655434 -355.213 -118.905 -219.751 # Removing break before 84 # jumping subtree containing (T0187)V408 jump= -0.204751 0.721312 -0.0389705 -0.660505 -260.035 111.816 -271.407 # Removing break before 35 # Removing break before 78 # Removing break before 35 # Removing break before 35 # generation 175: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5324 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 976 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 938 ## JiggleSubtree 336 ## OptSubtree 1949 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G362 jump= -0.788927 0.488968 -0.371585 0.0207166 -8.03071 -7.33568 -193.947 # jumping subtree containing (T0187)A336 jump= -0.62077 -0.279671 0.726886 0.0898095 -313.871 -144.767 140.639 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)E341 jump= -0.999923 0.0031412 0.00952606 0.00735503 -11.352 -20.7889 -9.66584 # jumping subtree containing (T0187)V408 jump= -0.972401 0.20661 -0.0975429 0.0472606 7.54158 -11.3705 -17.229 # jumping subtree containing (T0187)E312 jump= 0.904876 -0.0564134 0.261757 0.330909 -24.4942 169.19 -155.714 # jumping subtree containing (T0187)C346 jump= -0.971166 0.144992 -0.118211 -0.147781 -6.74295 98.8658 -46.7527 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= 0.235373 0.397878 -0.478675 -0.746433 -395.615 -99.3405 -174.291 # Removing break before 84 # jumping subtree containing (T0187)I363 jump= 0.931248 -0.147171 0.192286 0.272293 -16.8321 139.398 -117.755 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.834854 0.401739 0.082844 -0.3671 -82.4664 234.794 -36.7862 # jumping subtree containing (T0187)E312 jump= 0.781337 0.457889 0.00526471 0.424054 -50.7985 129.583 35.5578 # Removing break before 35 # generation 176: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5322 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 984 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 949 ## JiggleSubtree 336 ## OptSubtree 1954 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= 0.330172 0.384374 0.497076 0.704385 -278.61 281.765 -30.1615 # jumping subtree containing (T0187)V408 jump= 0.253504 -0.217173 0.899435 0.282114 -391.563 -8.00657 -237.441 # Removing break before 35 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)P379 jump= 0.238962 -0.875941 0.327208 0.261839 -65.4475 -19.3746 -240.217 # jumping subtree containing (T0187)C346 jump= 0.582581 -0.255802 0.604751 0.478999 -249.822 129.054 -318.324 # jumping subtree containing (T0187)I363 jump= -0.57613 -0.729082 -0.328699 -0.168732 7.92168 113.356 -145.746 # Removing break before 78 # jumping subtree containing (T0187)A369 jump= -0.916554 -0.200992 0.061797 0.340165 -65.348 -153.357 -13.6315 # Removing break before 35 # Removing break before 78 # generation 177: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5322 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 996 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 954 ## JiggleSubtree 336 ## OptSubtree 1961 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N385 jump= -0.553998 0.825574 0.0181845 0.105749 0.0858871 108.586 -30.8363 # jumping subtree containing (T0187)A336 jump= 0.970415 -0.0534391 -0.150682 0.180926 -21.4468 115.328 60.1571 # jumping subtree containing (T0187)L301 jump= -0.950057 0.190687 -0.221593 0.10921 -23.0843 -33.1484 -99.544 # jumping subtree containing (T0187)V408 jump= 0.744253 -0.626924 -0.00326183 0.230311 -17.8869 149.877 -91.9759 # jumping subtree containing (T0187)V408 jump= 0.0708049 0.0812658 -0.482821 -0.869061 -487.063 38.689 -68.4537 # Removing break before 35 # Removing break before 35 # Removing break before 35 # Removing break before 78 # Removing break before 35 # Removing break before 78 # Removing break before 35 # Removing break before 84 # Removing break before 35 # Removing break before 35 # Removing break before 84 # Removing break before 35 # Removing break before 35 # Removing break before 35 # Removing break before 84 # Removing break before 78 # generation 178: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5322 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1005 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 962 ## JiggleSubtree 336 ## OptSubtree 1968 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= -0.468691 0.533274 0.674789 -0.201514 -291.783 242.555 25.155 # Removing break before 35 # jumping subtree containing (T0187)E312 jump= -0.115479 -0.273568 -0.253943 -0.92051 -395.804 162.248 80.4018 # Removing break before 78 # Removing break before 84 # jumping subtree containing (T0187)S395 jump= -0.689824 0.348088 -0.166697 0.612528 -183.822 -171.73 56.2979 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)I363 jump= 0.0299653 0.952691 -0.157186 0.258406 6.42697 -47.5957 -41.3118 # jumping subtree containing (T0187)E312 jump= 0.912911 -0.0438017 0.312236 0.259196 -14.4382 132.473 -146.515 # jumping subtree containing (T0187)L301 jump= 0.783607 -0.00358594 0.434224 0.444294 -104.424 201.315 -229.653 # jumping subtree containing (T0187)V408 jump= 0.2384 0.698863 -0.311122 -0.598297 -276.403 -100.8 -262.642 # Removing break before 35 # jumping subtree containing (T0187)A359 jump= 0.434424 0.813184 -0.379956 -0.075104 -83.6401 -188.099 -68.5431 # generation 179: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5322 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1015 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 968 ## JiggleSubtree 336 ## OptSubtree 1976 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= 0.534491 0.513891 -0.557844 0.372889 -220.95 -77.55 157.505 # jumping subtree containing (T0187)V408 jump= 0.823285 0.0605713 0.560931 -0.0623592 -114.45 -1.87031 -250.721 # jumping subtree containing (T0187)V408 jump= 0.865032 0.053185 0.211393 -0.45189 -113.856 -168.104 -110.932 # jumping subtree containing (T0187)V408 jump= -0.890499 0.41931 0.123688 -0.126061 -30.9197 109.006 23.2528 # Removing break before 35 # Removing break before 78 # Removing break before 84 # jumping subtree containing (T0187)V408 jump= 0.289677 -0.613251 0.734007 0.0352571 -213.295 -164.547 -203.087 # Removing break before 84 # Removing break before 35 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= -0.376885 0.415332 -0.252815 0.78838 -295.418 -174.731 86.884 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.837448 0.153446 -0.394316 0.345904 -154.115 97.7697 142.832 # Removing break before 84 # jumping subtree containing (T0187)L301 jump= -0.856748 0.299657 0.399392 0.129129 -146.794 34.3736 151.509 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)I363 jump= -0.757347 0.334562 0.560776 0.00495075 -197.184 106.726 141.981 # Removing break before 78 # generation 180: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.5322 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1023 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 972 ## JiggleSubtree 336 ## OptSubtree 1988 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # Removing break before 84 # Removing break before 84 # jumping subtree containing (T0187)V408 jump= 0.145032 -0.887996 -0.346485 -0.265285 -87.6204 185.656 18.4981 # jumping subtree containing (T0187)P379 jump= -0.999913 0.000580016 -0.00737415 -0.0109666 -5.62618 10.4693 -13.5619 # jumping subtree containing (T0187)S395 jump= -0.540552 0.307445 0.778123 0.0883455 -342.899 118.999 153.343 # Removing break before 78 # Removing break before 35 # Removing break before 78 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)A336 jump= -0.00998943 0.426348 0.778271 -0.460893 -430.19 142.444 -184.996 # generation 181: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1036 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 978 ## JiggleSubtree 336 ## OptSubtree 1993 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)E312 jump= 0.938709 -0.222086 0.23578 0.117946 32.2038 69.4709 -116.78 # Removing break before 35 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= 0.217497 0.647261 -0.267721 0.67976 -185.806 17.8505 185.887 # Removing break before 35 # Removing break before 35 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= -0.279585 0.349369 -0.799198 0.401317 -339.308 -212.867 -132.446 # Removing break before 84 # jumping subtree containing (T0187)A336 jump= -0.0385958 0.675069 -0.698615 -0.233943 -279.655 -192.301 -206.38 # generation 182: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1038 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 988 ## JiggleSubtree 336 ## OptSubtree 2005 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A369 jump= 0.837016 0.0334245 0.125437 0.531557 -95.7934 211.079 -34.589 # Removing break before 78 # jumping subtree containing (T0187)G362 jump= -0.397857 -0.191441 0.821088 -0.361766 -402.408 -85.2424 78.6586 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)N385 jump= 0.871445 -0.405041 -0.276258 0.0143987 -72.3866 138.24 120.489 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.0276582 -0.609752 -0.626251 -0.485023 -268.318 237.405 7.17535 # jumping subtree containing (T0187)P379 jump= -0.951998 -0.249128 0.176678 -0.0204707 -31.9236 -38.5783 86.6413 # jumping subtree containing (T0187)V408 jump= 0.800696 0.494304 -0.237229 -0.241396 -69.5458 -173.778 -26.1795 # Removing break before 35 # jumping subtree containing (T0187)P379 jump= -0.998115 -0.0169978 0.0588306 0.00395382 -3.11215 15.7122 9.01741 # Removing break before 35 # jumping subtree containing (T0187)L301 jump= 0.327274 -0.819465 -0.403817 -0.241458 -109.297 220.102 62.5304 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)L301 jump= 0.829264 -0.507803 0.0379756 0.230249 -10.9433 161.222 -89.7685 # generation 183: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1046 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 997 ## JiggleSubtree 336 ## OptSubtree 2012 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E312 jump= -0.264297 0.770679 0.208733 0.540954 -94.467 106.033 129.345 # jumping subtree containing (T0187)N385 jump= 0.69084 0.203936 0.516526 -0.462981 -217.173 -116.365 -248.141 # jumping subtree containing (T0187)N385 jump= -0.629375 0.422597 -0.608337 0.235002 -133.247 -182.417 -203.602 # Removing break before 35 # jumping subtree containing (T0187)C346 jump= 0.380045 0.0209049 -0.882774 -0.275387 -439.78 -28.5473 27.6796 # jumping subtree containing (T0187)C346 jump= -0.995162 0.0495567 0.0372303 -0.0762318 5.41958 29.2494 5.19265 # Removing break before 35 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)G405 jump= -0.801777 0.384567 0.29521 -0.349446 -136.206 237.8 59.6305 # generation 184: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1049 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 1002 ## JiggleSubtree 336 ## OptSubtree 2028 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= -0.318893 -0.343387 0.103934 0.877263 -415.98 -111.469 -162.033 # jumping subtree containing (T0187)A336 jump= -0.352831 0.895616 0.193977 -0.189089 -71.6527 180.01 -124.549 # jumping subtree containing (T0187)N385 jump= 0.992472 -0.027185 -0.0911225 0.0771874 -17.0973 45.9584 65.4974 # jumping subtree containing (T0187)A369 jump= -0.0626131 -0.950665 0.300462 -0.0451404 -46.4183 -107.859 -104.536 # jumping subtree containing (T0187)V408 jump= -0.981859 0.0914621 -0.0748135 0.148294 -20.1098 -73.414 -24.3124 # Removing break before 35 # Removing break before 78 # Removing break before 78 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)T404 jump= 0.963485 -0.066525 -0.258888 -0.0157807 -60.5313 9.56943 98.0193 # Removing break before 78 # generation 185: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1057 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 1006 ## JiggleSubtree 336 ## OptSubtree 2040 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V408 jump= 0.11525 0.13569 -0.128978 0.975536 -400.402 84.1665 79.3325 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= -0.860425 0.165182 -0.380504 0.295974 -79.0745 -109.367 -125.064 # Removing break before 84 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= 0.819283 -0.0339619 0.551835 0.151989 -75.3308 57.1827 -268.451 # jumping subtree containing (T0187)N385 jump= 0.999383 0.0230089 -0.0243497 -0.0105707 6.69955 -4.53144 10.8136 # jumping subtree containing (T0187)C346 jump= -0.939209 -0.0122114 0.327875 0.101171 -110.015 -48.1862 119.666 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.420738 -0.181229 -0.882022 -0.110325 -419.401 82.547 91.7188 # jumping subtree containing (T0187)V408 jump= 0.55699 0.731763 -0.38448 -0.0803748 -85.6226 -140.574 -30.5092 # jumping subtree containing (T0187)L301 jump= 0.151159 0.196439 -0.205443 0.946761 -404.952 83.5779 95.8549 # jumping subtree containing (T0187)N385 jump= -0.828905 0.356564 -0.413906 0.120249 -24.057 -47.4898 -160.036 # jumping subtree containing (T0187)A336 jump= -0.996261 0.0284069 0.0783917 0.0226447 -5.8593 -22.8566 63.8054 # jumping subtree containing (T0187)I363 jump= 0.48374 0.593515 -0.517633 0.381827 -189.529 -113.826 144.185 # Removing break before 84 # jumping subtree containing (T0187)T404 jump= -0.675258 0.192535 -0.597519 -0.387205 -159.64 135.347 -256.102 # jumping subtree containing (T0187)I363 jump= -0.0685171 0.331828 -0.934059 0.112822 -393.647 -143.604 -184.862 # Removing break before 78 # Removing break before 78 # generation 186: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1066 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 1014 ## JiggleSubtree 336 ## OptSubtree 2047 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V408 jump= 0.143207 0.753738 -0.444125 0.462735 -113.898 -124.381 111.082 # jumping subtree containing (T0187)P379 jump= 0.897189 -0.0248856 0.0360044 0.439473 -89.6462 201.143 -15.3974 # jumping subtree containing (T0187)I363 jump= 0.998885 -0.034704 0.0307733 0.00883992 15.3344 8.95442 -4.65925 # Removing break before 35 # jumping subtree containing (T0187)L301 jump= 0.0223517 -0.247211 -0.591898 0.76684 -479.304 64.7658 -118.92 # jumping subtree containing (T0187)V408 jump= -0.174257 0.488218 -0.647897 -0.558129 -323.276 -22.9228 -287.834 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)L301 jump= 0.998347 0.0356477 -0.00877032 0.0442177 0.412843 29.1728 6.7023 # jumping subtree containing (T0187)V408 jump= -0.957224 -0.162965 0.0810872 0.22492 -58.5091 -130.488 23.9097 # jumping subtree containing (T0187)V408 jump= 0.944538 -0.315972 -0.0561237 0.0697117 12.5188 92.905 27.2211 # Removing break before 78 # jumping subtree containing (T0187)A369 jump= -0.306995 -0.827359 0.180713 -0.434251 -32.5658 -29.7689 99.2578 # Removing break before 78 # Removing break before 35 # Removing break before 78 # Removing break before 84 # jumping subtree containing (T0187)F309 jump= 0.493996 -0.169037 0.506098 0.686483 -309.684 201.77 -236.852 # generation 187: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1071 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 1021 ## JiggleSubtree 336 ## OptSubtree 2059 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G405 jump= 0.73803 -0.61943 -0.26197 0.0546721 -71.4455 179.244 72.9721 # jumping subtree containing (T0187)N385 jump= -0.668959 -0.16288 -0.271279 -0.672586 -209.447 269.764 -71.8634 # jumping subtree containing (T0187)I363 jump= 0.697392 0.349836 0.325176 -0.534339 -165.434 -183.929 -252.843 # jumping subtree containing (T0187)V408 jump= -0.698509 -0.0127742 -0.571105 -0.431001 -156 183.556 -244.342 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.82283 -0.0845023 -0.560393 -0.0420647 -199.617 21.1575 159.249 # jumping subtree containing (T0187)V408 jump= -0.998906 0.0303443 -0.0062271 0.0350261 -12.7548 -30.3942 -18.235 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.336171 -0.248581 0.269572 0.867484 -372.597 208.367 -160.204 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)L301 jump= 0.0193176 -0.245256 -0.658769 -0.710985 -430.91 178.221 -19.4834 # Removing break before 78 # Removing break before 35 # generation 188: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1079 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 1027 ## JiggleSubtree 336 ## OptSubtree 2069 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V408 jump= -0.717727 0.578288 0.254591 -0.292634 -88.6657 235.33 -3.43977 # Removing break before 35 # jumping subtree containing (T0187)L301 jump= 0.570073 -0.341299 0.15574 -0.730943 -257.558 -184.783 92.4863 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)T404 jump= -0.412544 0.356339 -0.739194 0.395503 -255.932 -189.404 -112.466 # jumping subtree containing (T0187)V408 jump= -0.102405 0.938935 -0.0448832 0.325422 -6.8226 24.5424 59.3879 # Removing break before 78 # Removing break before 78 # generation 189: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1088 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 1030 ## JiggleSubtree 336 ## OptSubtree 2081 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)P379 jump= -0.99557 0.0426176 -0.0810006 -0.0215389 -15.4054 3.58828 -51.7924 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= 0.887934 0.0579128 0.376553 -0.257734 -80.9889 -106.631 -172.042 # jumping subtree containing (T0187)V408 jump= 0.96079 -0.091397 0.216403 -0.147304 -6.93667 -46.9168 -76.8 # jumping subtree containing (T0187)V408 jump= -0.507336 0.554481 -0.318657 -0.577597 -175.471 147.76 -280.924 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)D358 jump= -0.991817 0.0344639 0.101001 -0.0700646 -21.9487 27.9502 28.4051 # Removing break before 35 # Removing break before 84 # jumping subtree containing (T0187)A369 jump= 0.599763 -0.122298 -0.286103 0.737206 -345.111 237.198 25.3844 # generation 190: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1099 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 1036 ## JiggleSubtree 336 ## OptSubtree 2088 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= 0.138395 0.98689 0.0797757 0.0230286 -21.0629 69.8628 -141.224 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.179685 -0.799329 -0.502918 0.275426 -181.605 255.372 -160.234 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= 0.7927 0.553602 -0.0602899 -0.248024 -57.0036 -123.654 -117.63 # jumping subtree containing (T0187)D358 jump= 0.475294 -0.114782 0.369012 -0.790412 -339.97 -213.899 -42.0927 # jumping subtree containing (T0187)L301 jump= 0.90508 -0.305336 0.263685 0.134427 26.4582 59.3609 -135.161 # Removing break before 35 # jumping subtree containing (T0187)A359 jump= 0.936318 -0.170346 -0.252439 -0.174831 -46.0222 -29.5445 109.756 # jumping subtree containing (T0187)V408 jump= 0.645141 0.358709 -0.245432 0.628398 -182.461 151.112 141.502 # jumping subtree containing (T0187)T357 jump= -0.50389 0.162872 -0.237381 0.814382 -317.13 -217.27 -14.8025 # Removing break before 78 # Removing break before 78 # jumping subtree containing (T0187)A336 jump= -0.986552 0.14112 -0.0824575 0.000176714 8.69553 3.10725 -8.26769 # generation 191: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1108 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 1043 ## JiggleSubtree 336 ## OptSubtree 2096 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V408 jump= 0.0888644 -0.611801 0.382969 -0.686394 -212.126 -104.103 134.685 # Removing break before 84 # jumping subtree containing (T0187)P379 jump= -0.869969 -0.475149 -0.0688109 -0.112481 15.2024 46.4728 -64.3879 # jumping subtree containing (T0187)V408 jump= -0.543888 -0.69824 0.450475 0.117129 -140.174 -177.882 -44.0571 # Removing break before 78 # jumping subtree containing (T0187)I363 jump= 0.0938604 0.691113 -0.324446 0.638974 -176.414 -125.663 106.907 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= 0.0788979 0.850076 -0.509987 0.105162 -94.1336 -150.989 -83.5586 # jumping subtree containing (T0187)F309 jump= 0.684593 0.685969 0.23098 0.0861741 -16.3778 53.5113 -146.567 # generation 192: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1121 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 1047 ## JiggleSubtree 336 ## OptSubtree 2103 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 84 # jumping subtree containing (T0187)V408 jump= -0.995128 0.0850154 0.00878517 -0.0491488 -1.69707 46.0724 0.23093 # Removing break before 78 # jumping subtree containing (T0187)A336 jump= -0.855563 -0.0547228 -0.121392 -0.500281 -92.0312 241.357 -61.9037 # jumping subtree containing (T0187)A336 jump= -0.99875 -0.0488391 0.0106468 0.000760943 4.69508 -17.1982 -17.1847 # Removing break before 35 # jumping subtree containing (T0187)A369 jump= -0.991607 -0.100155 0.0617628 0.0535713 -10.2563 -25.484 -1.05115 # Removing break before 35 # Removing break before 35 # generation 193: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1130 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 1057 ## JiggleSubtree 336 ## OptSubtree 2108 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= 0.423231 -0.540802 0.416838 0.595529 -229.102 99.5497 -264.823 # Removing break before 35 # Removing break before 78 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)I363 jump= 0.0249316 -0.0112817 -0.383561 0.92311 -466.415 -53.2205 -19.1897 # jumping subtree containing (T0187)L301 jump= 0.402784 -0.81458 -0.316536 0.272084 -159.825 266.228 -126.248 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= 0.667705 -0.112047 0.533404 0.507046 -201.999 188.035 -246.449 # Removing break before 78 # Removing break before 35 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= -0.749439 -0.569183 -0.235173 0.243036 -53.5196 -49.6722 -220.783 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.0488516 -0.132783 -0.964419 0.223334 -462.648 43.2494 -144.873 # Removing break before 84 # jumping subtree containing (T0187)P403 jump= -0.146411 0.607995 0.325696 -0.709104 -325.914 197.079 -224.237 # Removing break before 35 # jumping subtree containing (T0187)C346 jump= -0.548993 -0.0842191 0.764668 0.326796 -417.304 -95.0394 94.9664 # generation 194: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1144 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 1064 ## JiggleSubtree 336 ## OptSubtree 2111 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V408 jump= -0.65511 0.419219 -0.253591 0.575133 -128.114 -186.159 8.37261 # Removing break before 35 # jumping subtree containing (T0187)N385 jump= 0.345075 0.00380609 0.789335 -0.507799 -368.885 -114.358 -187.159 # jumping subtree containing (T0187)G319 jump= -0.101309 -0.946151 0.305829 -0.031666 -31.3452 -122.861 -138.974 # Removing break before 35 # jumping subtree containing (T0187)N385 jump= -0.939042 0.283997 0.110363 0.159265 -38.9076 -22.7184 68.8895 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.591798 0.295219 0.749819 -0.0198027 -312.697 111.405 144.527 # Removing break before 35 # Removing break before 35 # Removing break before 35 # Removing break before 35 # Removing break before 78 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)L301 jump= 0.470405 0.475046 -0.0255693 0.743233 -175.242 171.862 133.971 # jumping subtree containing (T0187)L301 jump= 0.949549 -0.254116 0.046313 0.177869 2.87562 98.5889 -56.5214 # Removing break before 35 # generation 195: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1153 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 1070 ## JiggleSubtree 336 ## OptSubtree 2120 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V408 jump= -0.804139 0.360931 -0.225056 0.415259 -51.8237 -149.068 2.32056 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= -0.561117 -0.458694 0.62847 0.282441 -266.633 -211.719 11.3595 # Removing break before 78 # jumping subtree containing (T0187)D358 jump= -0.45656 0.202193 0.0196461 -0.86619 -386.892 206.673 -93.7342 # jumping subtree containing (T0187)N385 jump= 0.890397 0.289988 -0.343471 -0.0716075 -82.168 -101.985 77.4488 # jumping subtree containing (T0187)P379 jump= -0.942981 -0.124883 -0.0171071 0.308057 -70.7084 -163.667 -21.9243 # jumping subtree containing (T0187)V408 jump= -0.996726 0.0154241 -0.0234527 -0.0758194 2.60372 45.1462 14.0421 # Removing break before 78 # jumping subtree containing (T0187)A336 jump= -0.851664 -0.117253 0.249051 -0.445975 -139.687 162.065 124.763 # jumping subtree containing (T0187)C346 jump= -0.691934 0.13655 0.426141 -0.566556 -294.503 225.657 105.342 # jumping subtree containing (T0187)G405 jump= 0.817977 -0.437404 0.370582 -0.0475505 -14.479 -35.8962 -160.084 # jumping subtree containing (T0187)V408 jump= -0.450501 -0.26738 -0.849983 -0.0555581 -308.969 124.283 -258.866 # Removing break before 35 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= 0.561627 -0.67532 0.449586 0.162451 -55.6097 -12.9566 -236.189 # Removing break before 84 # generation 196: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1165 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 1074 ## JiggleSubtree 336 ## OptSubtree 2128 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V408 jump= -0.323218 0.241991 0.655599 -0.638091 -437.375 163.445 11.3353 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.957947 0.254013 -0.126997 -0.0410674 31.149 27.3569 -47.3942 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= 0.929877 -0.170115 -0.261388 -0.195104 -93.4792 -29.6223 132.632 # jumping subtree containing (T0187)V408 jump= 0.991082 -0.0308022 0.0729553 -0.107173 -19.5148 -29.3789 -37.14 # Removing break before 78 # jumping subtree containing (T0187)C346 jump= -0.492888 0.284168 0.77108 0.285911 -387.472 107.305 136.215 # jumping subtree containing (T0187)D358 jump= 0.999923 -0.0100982 -0.0021169 0.00693893 -14.5782 9.16266 20.9256 # Removing break before 35 # Removing break before 78 # Removing break before 35 # Removing break before 35 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.400818 -0.618887 0.0126871 0.675399 -286.181 -111.957 -257.364 # Removing break before 35 # generation 197: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1178 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 1081 ## JiggleSubtree 336 ## OptSubtree 2132 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P379 jump= -0.767642 -0.515795 0.196756 0.325528 -128.746 -205.653 -62.535 # Removing break before 78 # jumping subtree containing (T0187)S395 jump= 0.678686 -0.360039 -0.612354 -0.186493 -272.728 84.7225 169.884 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.829656 0.477018 0.271939 0.100862 -68.7584 97.4486 132.954 # jumping subtree containing (T0187)L301 jump= -0.98603 -0.0478076 0.132169 0.0893909 -37.2453 -33.689 78.3953 # jumping subtree containing (T0187)P379 jump= -0.755383 0.239084 -0.425791 -0.436963 -135.262 190.606 -232.127 # Removing break before 35 # Removing break before 78 # Removing break before 84 # Removing break before 35 # jumping subtree containing (T0187)L301 jump= -0.476398 -0.0783384 -0.236279 -0.843256 -311.063 270.888 -38.1627 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.997048 0.06692 -0.0367357 -0.00819686 11.4323 3.4133 -0.978747 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= -0.988582 -0.111969 -0.0994945 -0.0164048 1.24459 -2.94364 -71.2188 # jumping subtree containing (T0187)L301 jump= -0.755616 0.0743165 -0.198166 -0.61988 -164.889 290.998 -94.9569 # jumping subtree containing (T0187)D358 jump= 0.939092 0.335225 -0.0726571 0.0212218 -30.8501 -45.056 16.5739 # Removing break before 84 # generation 198: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1189 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 1085 ## JiggleSubtree 336 ## OptSubtree 2141 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break before 78 # Removing break before 35 # Removing break before 35 # Removing break before 84 # Removing break before 78 # Removing break before 35 # Removing break before 84 # jumping subtree containing (T0187)G361 jump= -0.279479 0.107342 0.355617 0.885385 -440.185 -43.1162 65.3539 # Removing break before 35 # Removing break before 35 # Removing break before 35 # Removing break before 84 # jumping subtree containing (T0187)V408 jump= 0.603113 -0.0832847 -0.499667 -0.616158 -344.068 -110.159 121.956 # jumping subtree containing (T0187)H316 jump= 0.913647 0.18411 -0.311847 0.184671 -108.065 10.1483 124.168 # Removing break before 78 # Removing break before 78 # generation 199: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1205 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 1088 ## JiggleSubtree 336 ## OptSubtree 2146 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I416 jump= -0.243234 -0.563565 -0.518138 0.595621 -335.453 49.29 -271.289 # jumping subtree containing (T0187)L301 jump= -0.843728 -0.227953 0.412606 -0.256745 -153.68 9.12173 164.093 # jumping subtree containing (T0187)S395 jump= -0.892878 -0.369608 -0.257202 0.00246201 -22.058 21.2847 -167.885 # jumping subtree containing (T0187)G361 jump= -0.207665 0.914214 0.287028 -0.196729 -66.7363 151.02 -195.296 # Removing break before 35 # Removing break before 35 # Removing break before 84 # Removing break before 78 # jumping subtree containing (T0187)V408 jump= -0.833515 -0.369931 0.40877 0.0362132 -103.514 -112.62 113.106 # jumping subtree containing (T0187)N385 jump= -0.833409 0.186726 -0.0601951 -0.516661 -125.096 265.625 -64.1232 # Removing break before 84 # Removing break before 84 # Removing break before 35 # Removing break before 84 # Removing break before 78 # Removing break before 35 # jumping subtree containing (T0187)V408 jump= 0.932727 -0.0558095 -0.325396 -0.144994 -85.4301 -33.0213 124.158 # jumping subtree containing (T0187)A336 jump= 0.995204 -0.0703447 -0.0650075 0.019873 -20.6358 25.1393 25.1225 # Removing break before 35 # jumping subtree containing (T0187)N385 jump= 0.294569 -0.490566 -0.815572 0.0861142 -362.98 215.793 -21.3927 # Removing break before 84 # jumping subtree containing (T0187)V408 jump= 0.270636 -0.0716167 -0.799554 -0.531358 -458.76 11.5622 15.3792 # jumping subtree containing (T0187)T404 jump= -0.441829 -0.542134 0.410008 -0.585467 -183.257 19.3975 150.646 # generation 200: best score out of 40: T0187.try1-al10+T0187-1jeqB-2t...+T0187-1jeqB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz:1jeqB 71.532 cost/residue, 309 clashes 0.117743 breaks # Cumulative usage by method: ## InsertAlignment 6 ## InsertSpecificFragment 23 ## InsertFragment 71 ## TwoFragment 12 ## CrossOver 1218 ## CrossAndInsert 26 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 4 ## CloseGap 1095 ## JiggleSubtree 336 ## OptSubtree 2150 ## 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_1053068518.pdb -s /projects/compbio/tmp/to_scwrl_1053068518.seq -o /projects/compbio/tmp/from_scwrl_1053068518.pdb -a /projects/compbio/tmp/from_scwrl_1053068518_a.pdb -b /projects/compbio/tmp/from_scwrl_1053068518_b.pdb > /projects/compbio/tmp/scwrl_1053068518.log # conformation set from SCWRL output # command:# naming current conformation T0187.try1-opt-scwrl # command:# command:# CostConform T0187.try1-opt-scwrl costs 71.6405 T0187.try1-opt costs 71.5346 T0187.try1 costs 84.498 T0187.try1-al10+T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1jeqB costs 84.498 T0187.try1-al10 costs 84.5004 T0187.try1-al8+1jeqB-T0187-local-adpstyle1.pw.a2m.gz:1jeqB costs 84.5004 T0187.try1-al8 costs 84.857 T0187.try1-al6+T0187-1jeqB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1jeqB costs 84.857 T0187.try1-al6 costs 84.8702 T0187.try1-al4+T0187-1jeqB-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz:1jeqB costs 84.8702 T0187.try1-al4 costs 87.5644 T0187.try1-al2+T0187-1jmxA-local-adpstyle1.pw.a2m.gz:1jmxA costs 87.5644 T0187.try1-al2 costs 87.8045 T0187.rand+T0187-1gowA-simpleSW-adpstyle1.pw.a2m.gz:1gowA costs 90.181 T0187.rand costs 100.657 # command:CPU_time= 3.89345e+06 msec, elapsed time= 8.38675e+06 msec) # command: