# command:# Seed set to 1031283744 # 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= 10840 msec, elapsed time= 11910.3 msec) # Prefix for input files set to # Reading target chain from PDB file T0180.blank.pdb Read PDB file T0180.blank.pdb as target. Have 118 residues and 880 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 T0180.t2k.alpha.rdb # created predicted alpha cost function pred_alpha2 with 360 bins # reading script from file try1.constraints # Constraint # added constraint: (T0180)V16.CB (T0180)L20.CB min_dist=14 desired_dist=14.6 max_dist=16 # Constraint # added constraint: (T0180)V216.CB (T0180)L220.CB min_dist=14 desired_dist=14.6 max_dist=16 # Constraint # added constraint: (T0180)V16.CB (T0180)L220.CB min_dist=4 desired_dist=4.7 max_dist=6 # Constraint # added constraint: (T0180)V17.CB (T0180)R219.CB min_dist=4 desired_dist=4.7 max_dist=6 # Constraint # added constraint: (T0180)V18.CB (T0180)V218.CB min_dist=4 desired_dist=4.7 max_dist=6 # Constraint # added constraint: (T0180)R19.CB (T0180)V217.CB min_dist=4 desired_dist=4.7 max_dist=6 # Constraint # added constraint: (T0180)L20.CB (T0180)V216.CB min_dist=4 desired_dist=4.7 max_dist=6 # SetCost created cost = # ( 0.3 * gen6.5(6.5) + 0.4 * wet6.5(6.5, /log(length)) + 1 * dry5(5) + 4 * dry6.5(6.5) + 1 * dry8(8) + 0.1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 2 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.5 * constraints + 1 * contact_order ) # command:CPU_time= 14250 msec, elapsed time= 15318.4 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= 19190 msec, elapsed time= 20263 msec) # command:# Prefix for output files set to decoys/ # command:# created conformation for T0180 from sequence in target chain replacing old conformation. # command:# naming current conformation T0180.rand # command:CPU_time= 19200 msec, elapsed time= 20265.6 msec) # command:# Prefix for input files set to # command:Couldn't open file Template.atoms or Template.atoms.gz for input Trying Template.atoms Couldn't open file Template.atoms or Template.atoms.gz for input # command:# reading script from file T0180.t2k.undertaker-align.script # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/T0180-1b65A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1b65A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/T0180-1b65A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # adding 1b65A to template set 1b65A:# found chain 1b65A in template set T0180 8 :GGLKDTKPVVVRLYPDEIEALKSRVPA 1b65A 133 :DDFLWIMPVVAETYDGALNDINGFPVT Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:3.19666 Ang P16.CD and L22.CD2 other bump:2.00821 Ang D17.CG and L22.CD1 other bump:1.25805 Ang D17.OD2 and L22.CD1 other bump:2.27597 Ang D17.N and L22.CD1 other bump:2.48569 Ang D17.CA and L22.CD1 other bump:2.67188 Ang D17.CB and L22.CD1 other bump:2.06313 Ang D17.OD2 and L22.CG other bump:3.22208 Ang D17.CA and L22.CG other bump:2.19408 Ang D17.OD2 and L22.CB other bump:2.18006 Ang Y15.CD1 and D17.OD1 other bump:0.85972 Ang Y15.CE1 and D17.OD1 other bump:2.06692 Ang Y15.OH and D17.OD1 other bump:2.83748 Ang Y15.CE2 and D17.OD1 other bump:1.55823 Ang Y15.CZ and D17.OD1 other bump:2.76531 Ang Y15.CD1 and D17.CG other bump:1.79947 Ang Y15.CE1 and D17.CG other bump:2.36817 Ang Y15.OH and D17.CG other bump:2.76042 Ang Y15.CE1 and D17.CB other bump:2.10831 Ang Y15.OH and D17.CB other bump:2.66473 Ang Y15.CE2 and D17.CB other bump:2.11217 Ang Y15.CZ and D17.CB T0180 39 :SAYIR 1b65A 160 :EADVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0180 45 :IILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1b65A 165 :KALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:3.15848 Ang R26.CA and P28.CD other bump:3.19846 Ang G25.C and P28.CD neighbor-bump: 2.45634 Ang R27.N and P28.CD other bump:2.21197 Ang G25.O and P28.CD other bump:2.01689 Ang R26.O and P28.CD other bump:2.13657 Ang R26.C and P28.CD other bump:3.27466 Ang G25.C and P28.CG other bump:2.04948 Ang G25.O and P28.CG neighbor-bump: 2.38767 Ang D10.CB and G11.N self-bump: 2.18948 Ang D10.CB and D10.C self-bump: 1.28459 Ang D10.CA and D10.CB other bump:2.30191 Ang I2.O and H6.CD2 Number of specific fragments= 3 total=3 Number of alignments=1 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/T0180-1b65A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1b65A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/T0180-1b65A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1b65A in template set T0180 8 :GGLKDTKPVVVRLYPDEIEALKSRVPANTSM 1b65A 133 :DDFLWIMPVVAETYDGALNDINGFPVTEADV Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues self-bump: 1.3922 Ang N29.CA and N29.CB other bump:3.19666 Ang P16.CD and L22.CD2 other bump:2.00821 Ang D17.CG and L22.CD1 other bump:1.25805 Ang D17.OD2 and L22.CD1 other bump:2.27597 Ang D17.N and L22.CD1 other bump:2.48569 Ang D17.CA and L22.CD1 other bump:2.67188 Ang D17.CB and L22.CD1 other bump:2.06313 Ang D17.OD2 and L22.CG other bump:3.22208 Ang D17.CA and L22.CG other bump:2.19408 Ang D17.OD2 and L22.CB other bump:2.18006 Ang Y15.CD1 and D17.OD1 other bump:0.85972 Ang Y15.CE1 and D17.OD1 other bump:2.06692 Ang Y15.OH and D17.OD1 other bump:2.83748 Ang Y15.CE2 and D17.OD1 other bump:1.55823 Ang Y15.CZ and D17.OD1 other bump:2.76531 Ang Y15.CD1 and D17.CG other bump:1.79947 Ang Y15.CE1 and D17.CG other bump:2.36817 Ang Y15.OH and D17.CG other bump:2.76042 Ang Y15.CE1 and D17.CB other bump:2.10831 Ang Y15.OH and D17.CB other bump:2.66473 Ang Y15.CE2 and D17.CB other bump:2.11217 Ang Y15.CZ and D17.CB T0180 44 :RIILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1b65A 164 :RKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:3.15848 Ang R27.CA and P29.CD other bump:3.19846 Ang G26.C and P29.CD neighbor-bump: 2.45634 Ang R28.N and P29.CD other bump:2.21197 Ang G26.O and P29.CD other bump:2.01689 Ang R27.O and P29.CD other bump:2.13657 Ang R27.C and P29.CD other bump:3.27466 Ang G26.C and P29.CG other bump:2.04948 Ang G26.O and P29.CG neighbor-bump: 2.38767 Ang D11.CB and G12.N self-bump: 2.18948 Ang D11.CB and D11.C self-bump: 1.28459 Ang D11.CA and D11.CB other bump:2.30191 Ang I3.O and H7.CD2 Number of specific fragments= 2 total=5 Number of alignments=2 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ezvD/T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1ezvD read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ezvD/T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz # adding 1ezvD to template set 1ezvD:# found chain 1ezvD in template set T0180 46 :ILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDT 1ezvD 194 :LLTGYPDEPPAGVALPPGSNYNPYFPGGSIAMA Fragment has 73 clashes (null) has 73 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.35017 Ang D33.OD1 and T34.O other bump:2.9562 Ang R26.NH2 and L31.C other bump:2.18089 Ang R26.CG and L31.CD2 other bump:1.58969 Ang R26.NE and L31.CD2 other bump:2.57177 Ang R26.CZ and L31.CD2 other bump:2.94904 Ang R26.NH1 and L31.CD2 other bump:3.07946 Ang R26.CB and L31.CD2 other bump:0.688222 Ang R26.CD and L31.CD2 other bump:2.42283 Ang R26.NE and L31.CD1 other bump:2.62865 Ang R26.CB and L31.CD1 other bump:2.44276 Ang R26.CD and L31.CD1 other bump:2.65557 Ang R26.CG and L31.CG other bump:0.97496 Ang R26.NE and L31.CG other bump:2.8728 Ang R26.CB and L31.CG other bump:1.53655 Ang R26.CD and L31.CG other bump:1.80801 Ang R26.NE and L31.CB other bump:2.42815 Ang R26.CZ and L31.CB other bump:2.6413 Ang R26.NH2 and L31.CB other bump:2.79241 Ang R26.CD and L31.CB other bump:2.22751 Ang R26.NE and L31.CA other bump:1.88489 Ang R26.CZ and L31.CA other bump:1.75329 Ang R26.NH2 and L31.CA other bump:2.54679 Ang R26.NE and L31.N other bump:1.72669 Ang R26.CZ and L31.N other bump:2.71906 Ang R26.NH1 and L31.N other bump:0.57874 Ang R26.NH2 and L31.N other bump:2.96952 Ang R26.NE and G30.C other bump:1.72067 Ang R26.CZ and G30.C other bump:2.11985 Ang R26.NH1 and G30.C other bump:0.946337 Ang R26.NH2 and G30.C other bump:1.87314 Ang R26.CZ and G30.O other bump:1.41857 Ang R26.NH1 and G30.O other bump:1.89521 Ang R26.NH2 and G30.O other bump:2.96499 Ang R26.CZ and G30.CA other bump:2.11099 Ang R26.NH2 and G30.CA other bump:2.37755 Ang G1.C and R25.NH1 other bump:3.09285 Ang G1.C and R25.CD other bump:2.87197 Ang L6.CD2 and V23.CG2 other bump:2.39517 Ang I2.CD1 and V23.CG1 other bump:2.06638 Ang H5.CD2 and V23.CG1 other bump:2.57378 Ang H5.NE2 and V23.CG1 other bump:1.71408 Ang I2.CD1 and H5.NE2 other bump:1.99657 Ang I2.CA and H5.NE2 other bump:2.3592 Ang I2.CB and H5.NE2 other bump:1.97067 Ang I2.CG1 and H5.NE2 other bump:1.99642 Ang I2.O and H5.NE2 other bump:2.24837 Ang I2.C and H5.NE2 other bump:3.07889 Ang G1.C and H5.CE1 other bump:2.83659 Ang I2.CD1 and H5.CE1 other bump:1.20329 Ang I2.CA and H5.CE1 other bump:2.09331 Ang I2.CB and H5.CE1 other bump:2.38572 Ang I2.CG1 and H5.CE1 other bump:1.26553 Ang I2.O and H5.CE1 other bump:0.945856 Ang I2.C and H5.CE1 other bump:2.26229 Ang L3.N and H5.CE1 other bump:2.48107 Ang I2.N and H5.CE1 other bump:1.76887 Ang G1.O and H5.ND1 other bump:2.31264 Ang G1.C and H5.ND1 other bump:1.78683 Ang I2.CA and H5.ND1 other bump:1.54354 Ang I2.O and H5.ND1 other bump:1.42982 Ang I2.C and H5.ND1 other bump:2.449 Ang L3.N and H5.ND1 other bump:2.34003 Ang I2.N and H5.ND1 other bump:2.51837 Ang I2.CD1 and H5.CD2 other bump:2.7561 Ang I2.CA and H5.CD2 other bump:2.54864 Ang I2.O and H5.CD2 other bump:3.02212 Ang I2.C and H5.CD2 other bump:2.06965 Ang G1.O and H5.CG other bump:2.92716 Ang G1.C and H5.CG other bump:2.66993 Ang I2.CA and H5.CG other bump:2.34 Ang I2.O and H5.CG other bump:2.69214 Ang I2.C and H5.CG other bump:2.19861 Ang G1.O and H5.CB T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHLED 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAE Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:1.93188 Ang P16.O and M21.CE other bump:2.44039 Ang P16.C and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 2 total=7 Number of alignments=3 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ezvD/T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1ezvD read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ezvD/T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1ezvD in template set T0180 29 :KSRVPANTSMSAYIRRI 1ezvD 178 :SLIVKARHGGCDYIFSL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.54953 Ang Y14.CE1 and I18.CD1 other bump:2.46176 Ang Y14.CE2 and I18.CD1 other bump:2.08913 Ang Y14.CZ and I18.CD1 other bump:2.49762 Ang Y14.OH and I18.CD1 other bump:2.85362 Ang S10.CB and Y14.CB self-bump: 2.20547 Ang M11.CB and M11.C other bump:1.98743 Ang V5.CG1 and M11.CE other bump:2.44066 Ang V5.O and M11.CG self-bump: 1.30072 Ang M11.CA and M11.CB neighbor-bump: 2.09153 Ang T9.O and S10.CB neighbor-bump: 2.52585 Ang T9.C and S10.CB T0180 47 :LNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDT 1ezvD 195 :LTGYPDEPPAGVALPPGSNYNPYFPGGSIAMA Fragment has 50 clashes (null) has 50 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.35017 Ang D32.OD1 and T33.O other bump:2.9562 Ang R25.NH2 and L30.C other bump:2.18089 Ang R25.CG and L30.CD2 other bump:1.58969 Ang R25.NE and L30.CD2 other bump:2.57177 Ang R25.CZ and L30.CD2 other bump:2.94904 Ang R25.NH1 and L30.CD2 other bump:3.07946 Ang R25.CB and L30.CD2 other bump:0.688222 Ang R25.CD and L30.CD2 other bump:2.42283 Ang R25.NE and L30.CD1 other bump:2.62865 Ang R25.CB and L30.CD1 other bump:2.44276 Ang R25.CD and L30.CD1 other bump:2.65557 Ang R25.CG and L30.CG other bump:0.97496 Ang R25.NE and L30.CG other bump:2.8728 Ang R25.CB and L30.CG other bump:1.53655 Ang R25.CD and L30.CG other bump:1.80801 Ang R25.NE and L30.CB other bump:2.42815 Ang R25.CZ and L30.CB other bump:2.6413 Ang R25.NH2 and L30.CB other bump:2.79241 Ang R25.CD and L30.CB other bump:2.22751 Ang R25.NE and L30.CA other bump:1.88489 Ang R25.CZ and L30.CA other bump:1.75329 Ang R25.NH2 and L30.CA other bump:2.54679 Ang R25.NE and L30.N other bump:1.72669 Ang R25.CZ and L30.N other bump:2.71906 Ang R25.NH1 and L30.N other bump:0.57874 Ang R25.NH2 and L30.N other bump:2.96952 Ang R25.NE and G29.C other bump:1.72067 Ang R25.CZ and G29.C other bump:2.11985 Ang R25.NH1 and G29.C other bump:0.946337 Ang R25.NH2 and G29.C other bump:1.87314 Ang R25.CZ and G29.O other bump:1.41857 Ang R25.NH1 and G29.O other bump:1.89521 Ang R25.NH2 and G29.O other bump:2.96499 Ang R25.CZ and G29.CA other bump:2.11099 Ang R25.NH2 and G29.CA other bump:2.87197 Ang L5.CD2 and V22.CG2 other bump:2.06638 Ang H4.CD2 and V22.CG1 other bump:2.57378 Ang H4.NE2 and V22.CG1 other bump:1.99642 Ang G1.O and H4.NE2 other bump:2.24837 Ang G1.C and H4.NE2 other bump:1.26553 Ang G1.O and H4.CE1 other bump:0.945856 Ang G1.C and H4.CE1 other bump:2.26229 Ang L2.N and H4.CE1 other bump:1.54354 Ang G1.O and H4.ND1 other bump:1.42982 Ang G1.C and H4.ND1 other bump:2.449 Ang L2.N and H4.ND1 other bump:2.54864 Ang G1.O and H4.CD2 other bump:3.02212 Ang G1.C and H4.CD2 other bump:2.34 Ang G1.O and H4.CG other bump:2.69214 Ang G1.C and H4.CG T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHL 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNWC Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:1.93188 Ang P16.O and M21.CE other bump:2.44039 Ang P16.C and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 3 total=10 Number of alignments=4 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/T0180-1d2zA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1d2zA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/T0180-1d2zA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # adding 1d2zA to template set 1d2zA:Skipped atom 54, because occupancy 0.5 <= existing 0.500001 Skipped atom 56, because occupancy 0.5 <= existing 0.500001 Skipped atom 58, because occupancy 0.5 <= existing 0.500001 Skipped atom 60, because occupancy 0.5 <= existing 0.500001 Skipped atom 62, because occupancy 0.5 <= existing 0.500001 Skipped atom 64, because occupancy 0.5 <= existing 0.500001 Skipped atom 66, because occupancy 0.5 <= existing 0.500001 Skipped atom 68, because occupancy 0.5 <= existing 0.500001 Skipped atom 70, because occupancy 0.5 <= existing 0.500001 Skipped atom 72, because occupancy 0.5 <= existing 0.500001 Skipped atom 74, because occupancy 0.5 <= existing 0.500001 # found chain 1d2zA in template set T0180 83 :VRLYPDEIEALKSRVPANTSMSAYIRRII 1d2zA 62 :VKLYPDQVEQISSQKQRGRSASNEFLNIW Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.62756 Ang L4.CD2 and I30.CD1 other bump:2.76327 Ang Y25.CE2 and I29.CD1 other bump:3.30128 Ang E8.CD and I29.CG2 other bump:2.54443 Ang L12.CD1 and I26.CG1 other bump:2.7255 Ang L12.CD2 and I26.N other bump:2.71472 Ang L12.CD2 and Y25.C other bump:2.56891 Ang A11.CB and Y25.OH other bump:2.95815 Ang A11.CB and Y25.CE2 other bump:3.00865 Ang A11.C and Y25.CE2 other bump:3.0777 Ang L12.N and Y25.CE2 other bump:3.0524 Ang L12.CA and Y25.CD2 other bump:2.79584 Ang L12.CG and Y25.CD2 other bump:2.11267 Ang L12.CD2 and Y25.CD2 other bump:2.61138 Ang L12.CD2 and Y25.CG other bump:2.48201 Ang L12.CD2 and Y25.CB other bump:3.16438 Ang L12.CD2 and Y25.CA other bump:2.63278 Ang R15.C and M22.CE other bump:1.86385 Ang V16.N and M22.CE other bump:2.33088 Ang V16.CA and M22.CE other bump:2.61811 Ang V16.CB and M22.CE other bump:2.05864 Ang V16.CG2 and M22.CE other bump:2.07995 Ang L12.O and M22.SD other bump:2.72964 Ang V16.N and M22.SD other bump:2.809 Ang V16.CA and M22.SD other bump:2.06135 Ang V16.CB and M22.SD other bump:1.13241 Ang V16.CG2 and M22.SD other bump:2.45804 Ang V16.CB and M22.CG other bump:2.97937 Ang V16.CG1 and M22.CG other bump:1.07333 Ang V16.CG2 and M22.CG other bump:2.49328 Ang V16.CG2 and M22.CB other bump:3.15242 Ang V16.CG2 and M22.CA other bump:2.97236 Ang R15.CA and T20.OG1 other bump:1.91757 Ang R15.O and T20.OG1 other bump:2.3613 Ang R15.C and T20.OG1 other bump:2.84867 Ang R15.CZ and T20.CG2 other bump:1.94336 Ang R15.NH2 and T20.CG2 other bump:3.07274 Ang R15.NH2 and T20.CB other bump:2.52644 Ang L4.CD2 and E8.OE1 Number of specific fragments= 1 total=11 Number of alignments=5 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/T0180-1d2zA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1d2zA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/T0180-1d2zA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1d2zA in template set T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRII 1d2zA 63 :KLYPDQVEQISSQKQRGRSASNEFLNIW Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.62756 Ang L3.CD2 and I29.CD1 other bump:2.76327 Ang Y24.CE2 and I28.CD1 other bump:3.30128 Ang E7.CD and I28.CG2 other bump:2.54443 Ang L11.CD1 and I25.CG1 other bump:2.7255 Ang L11.CD2 and I25.N other bump:2.71472 Ang L11.CD2 and Y24.C other bump:2.56891 Ang A10.CB and Y24.OH other bump:2.95815 Ang A10.CB and Y24.CE2 other bump:3.00865 Ang A10.C and Y24.CE2 other bump:3.0777 Ang L11.N and Y24.CE2 other bump:3.0524 Ang L11.CA and Y24.CD2 other bump:2.79584 Ang L11.CG and Y24.CD2 other bump:2.11267 Ang L11.CD2 and Y24.CD2 other bump:2.61138 Ang L11.CD2 and Y24.CG other bump:2.48201 Ang L11.CD2 and Y24.CB other bump:3.16438 Ang L11.CD2 and Y24.CA other bump:2.63278 Ang R14.C and M21.CE other bump:1.86385 Ang V15.N and M21.CE other bump:2.33088 Ang V15.CA and M21.CE other bump:2.61811 Ang V15.CB and M21.CE other bump:2.05864 Ang V15.CG2 and M21.CE other bump:2.07995 Ang L11.O and M21.SD other bump:2.72964 Ang V15.N and M21.SD other bump:2.809 Ang V15.CA and M21.SD other bump:2.06135 Ang V15.CB and M21.SD other bump:1.13241 Ang V15.CG2 and M21.SD other bump:2.45804 Ang V15.CB and M21.CG other bump:2.97937 Ang V15.CG1 and M21.CG other bump:1.07333 Ang V15.CG2 and M21.CG other bump:2.49328 Ang V15.CG2 and M21.CB other bump:3.15242 Ang V15.CG2 and M21.CA other bump:2.97236 Ang R14.CA and T19.OG1 other bump:1.91757 Ang R14.O and T19.OG1 other bump:2.3613 Ang R14.C and T19.OG1 other bump:2.84867 Ang R14.CZ and T19.CG2 other bump:1.94336 Ang R14.NH2 and T19.CG2 other bump:3.07274 Ang R14.NH2 and T19.CB other bump:2.52644 Ang L3.CD2 and E7.OE1 Number of specific fragments= 1 total=12 Number of alignments=6 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1qqfA/T0180-1qqfA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1qqfA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1qqfA/T0180-1qqfA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # adding 1qqfA to template set 1qqfA:Bad short name: OD for alphabet: pdb_atoms Skipped atom 285, because occupancy 0.5 <= existing 0.500001 Skipped atom 287, because occupancy 0.5 <= existing 0.500001 Skipped atom 289, because occupancy 0.5 <= existing 0.500001 Skipped atom 291, because occupancy 0.5 <= existing 0.500001 Skipped atom 303, because occupancy 0.5 <= existing 0.500001 Skipped atom 305, because occupancy 0.5 <= existing 0.500001 Skipped atom 307, because occupancy 0.5 <= existing 0.500001 Skipped atom 665, because occupancy 0.5 <= existing 0.500001 Skipped atom 667, because occupancy 0.5 <= existing 0.500001 Skipped atom 669, because occupancy 0.5 <= existing 0.500001 Skipped atom 1664, because occupancy 0.5 <= existing 0.500001 Skipped atom 1666, because occupancy 0.5 <= existing 0.500001 Skipped atom 1668, because occupancy 0.5 <= existing 0.500001 Skipped atom 1670, because occupancy 0.5 <= existing 0.500001 Skipped atom 1838, because occupancy 0.5 <= existing 0.500001 Skipped atom 1840, because occupancy 0.5 <= existing 0.500001 Skipped atom 1842, because occupancy 0.5 <= existing 0.500001 # found chain 1qqfA in template set T0180 35 :NTSMSAYIRRIILNH 1qqfA 1097 :SQVLCGAVKWLILEK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.9724 Ang Y8.CE2 and I12.CD1 other bump:2.30576 Ang Y8.CD1 and R11.NH2 other bump:2.27846 Ang Y8.CE1 and R11.NH2 T0180 69 :RRPGGGLKDTKPVV 1qqfA 1112 :QKPDGVFQEDGPVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 86 :YPDEIEALKSRVPANTSMSAYIRRII 1qqfA 1126 :HQEMIGGFRNTKEADVSLTAFVLIAL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.93161 Ang Y22.CZ and I26.CD1 other bump:2.63828 Ang Y22.CE2 and I26.CD1 neighbor-bump: 3.10805 Ang V13.CG1 and P14.CA neighbor-bump: 1.95289 Ang V13.CG1 and P14.N self-bump: 2.34743 Ang V13.CG1 and V13.C self-bump: 1.29695 Ang V13.CA and V13.CB other bump:2.92447 Ang P3.C and K10.CE neighbor-bump: 3.19152 Ang E7.CG and A8.CA neighbor-bump: 2.22477 Ang E7.CG and A8.N self-bump: 2.18768 Ang E7.CB and E7.C self-bump: 2.47257 Ang E7.CG and E7.C self-bump: 1.2975 Ang E7.CA and E7.CB other bump:2.52086 Ang Y2.O and E5.CG Number of specific fragments= 3 total=15 Number of alignments=7 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1qqfA/T0180-1qqfA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1qqfA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1qqfA/T0180-1qqfA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1qqfA in template set T0180 69 :RRPGGGLKDTKPV 1qqfA 1112 :QKPDGVFQEDGPV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0180 85 :LYPDEIEALKSRVPANTSMSAYIRRII 1qqfA 1125 :IHQEMIGGFRNTKEADVSLTAFVLIAL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.93161 Ang Y23.CZ and I27.CD1 other bump:2.63828 Ang Y23.CE2 and I27.CD1 neighbor-bump: 3.10805 Ang V14.CG1 and P15.CA neighbor-bump: 1.95289 Ang V14.CG1 and P15.N self-bump: 2.34743 Ang V14.CG1 and V14.C self-bump: 1.29695 Ang V14.CA and V14.CB other bump:2.92447 Ang P4.C and K11.CE neighbor-bump: 3.19152 Ang E8.CG and A9.CA neighbor-bump: 2.22477 Ang E8.CG and A9.N self-bump: 2.18768 Ang E8.CB and E8.C self-bump: 2.47257 Ang E8.CG and E8.C self-bump: 1.2975 Ang E8.CA and E8.CB other bump:2.52086 Ang Y3.O and E6.CG Number of specific fragments= 2 total=17 Number of alignments=8 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/T0180-1d2zA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1d2zA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/T0180-1d2zA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1d2zA in template set T0180 11 :KDT 1d2zA 29 :DNT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0180 16 :VVVRLYPD 1d2zA 32 :MAIRLLPL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.99917 Ang V4.CA and Y7.CE1 other bump:2.97622 Ang V4.CA and Y7.CD1 other bump:3.02994 Ang V3.CG2 and L6.CG other bump:3.05111 Ang V3.CG2 and R5.CG T0180 33 :PANTSMSAYIRRIILNHL 1d2zA 40 :PVRAQLCAHLDALDVWQQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.91359 Ang I14.CG2 and L16.CD1 other bump:2.38945 Ang I14.CG2 and L16.CG other bump:2.57641 Ang Y10.CE1 and I14.CD1 other bump:2.70001 Ang Y10.CZ and I14.CD1 T0180 83 :VRLYPDEIEALKSRVPANTSMSAYIRRIILNHLED 1d2zA 62 :VKLYPDQVEQISSQKQRGRSASNEFLNIWGGQYNH Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.50004 Ang R28.O and N32.CB other bump:2.62756 Ang L4.CD2 and I30.CD1 other bump:2.76327 Ang Y25.CE2 and I29.CD1 other bump:3.30128 Ang E8.CD and I29.CG2 other bump:2.54443 Ang L12.CD1 and I26.CG1 other bump:2.7255 Ang L12.CD2 and I26.N other bump:2.71472 Ang L12.CD2 and Y25.C other bump:2.56891 Ang A11.CB and Y25.OH other bump:2.95815 Ang A11.CB and Y25.CE2 other bump:3.00865 Ang A11.C and Y25.CE2 other bump:3.0777 Ang L12.N and Y25.CE2 other bump:3.0524 Ang L12.CA and Y25.CD2 other bump:2.79584 Ang L12.CG and Y25.CD2 other bump:2.11267 Ang L12.CD2 and Y25.CD2 other bump:2.61138 Ang L12.CD2 and Y25.CG other bump:2.48201 Ang L12.CD2 and Y25.CB other bump:3.16438 Ang L12.CD2 and Y25.CA other bump:2.63278 Ang R15.C and M22.CE other bump:1.86385 Ang V16.N and M22.CE other bump:2.33088 Ang V16.CA and M22.CE other bump:2.61811 Ang V16.CB and M22.CE other bump:2.05864 Ang V16.CG2 and M22.CE other bump:2.07995 Ang L12.O and M22.SD other bump:2.72964 Ang V16.N and M22.SD other bump:2.809 Ang V16.CA and M22.SD other bump:2.06135 Ang V16.CB and M22.SD other bump:1.13241 Ang V16.CG2 and M22.SD other bump:2.45804 Ang V16.CB and M22.CG other bump:2.97937 Ang V16.CG1 and M22.CG other bump:1.07333 Ang V16.CG2 and M22.CG other bump:2.49328 Ang V16.CG2 and M22.CB other bump:3.15242 Ang V16.CG2 and M22.CA other bump:2.97236 Ang R15.CA and T20.OG1 other bump:1.91757 Ang R15.O and T20.OG1 other bump:2.3613 Ang R15.C and T20.OG1 other bump:2.84867 Ang R15.CZ and T20.CG2 other bump:1.94336 Ang R15.NH2 and T20.CG2 other bump:3.07274 Ang R15.NH2 and T20.CB other bump:2.52644 Ang L4.CD2 and E8.OE1 Number of specific fragments= 4 total=21 Number of alignments=9 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/T0180-1d2zA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1d2zA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/T0180-1d2zA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1d2zA in template set T0180 13 :TKPVVVRLYPDEIEALKSRVPANTSMSAYIRRI 1d2zA 29 :DNTMAIRLLPLPVRAQLCAHLDALDVWQQLATA Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:1.48073 Ang K18.O and P22.CD other bump:2.70202 Ang K18.C and P22.CD other bump:2.11296 Ang K18.O and P22.CG other bump:3.14129 Ang K18.C and P22.CG other bump:2.52455 Ang L17.CD2 and R20.NH2 other bump:2.99917 Ang V7.CA and Y10.CE1 other bump:2.97622 Ang V7.CA and Y10.CD1 other bump:3.02994 Ang V6.CG2 and L9.CG other bump:3.05111 Ang V6.CG2 and R8.CG other bump:3.27026 Ang T2.CA and P4.CD other bump:2.82453 Ang T2.CG2 and P4.CD other bump:2.76335 Ang T2.C and P4.CD neighbor-bump: 2.32295 Ang K3.N and P4.CD T0180 83 :VRLYPDEIEALKSRVPANTSMSAYIRRIILNHLEDD 1d2zA 62 :VKLYPDQVEQISSQKQRGRSASNEFLNIWGGQYNHT Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.50004 Ang R28.O and N32.CB other bump:2.62756 Ang L4.CD2 and I30.CD1 other bump:2.76327 Ang Y25.CE2 and I29.CD1 other bump:3.30128 Ang E8.CD and I29.CG2 other bump:2.54443 Ang L12.CD1 and I26.CG1 other bump:2.7255 Ang L12.CD2 and I26.N other bump:2.71472 Ang L12.CD2 and Y25.C other bump:2.56891 Ang A11.CB and Y25.OH other bump:2.95815 Ang A11.CB and Y25.CE2 other bump:3.00865 Ang A11.C and Y25.CE2 other bump:3.0777 Ang L12.N and Y25.CE2 other bump:3.0524 Ang L12.CA and Y25.CD2 other bump:2.79584 Ang L12.CG and Y25.CD2 other bump:2.11267 Ang L12.CD2 and Y25.CD2 other bump:2.61138 Ang L12.CD2 and Y25.CG other bump:2.48201 Ang L12.CD2 and Y25.CB other bump:3.16438 Ang L12.CD2 and Y25.CA other bump:2.63278 Ang R15.C and M22.CE other bump:1.86385 Ang V16.N and M22.CE other bump:2.33088 Ang V16.CA and M22.CE other bump:2.61811 Ang V16.CB and M22.CE other bump:2.05864 Ang V16.CG2 and M22.CE other bump:2.07995 Ang L12.O and M22.SD other bump:2.72964 Ang V16.N and M22.SD other bump:2.809 Ang V16.CA and M22.SD other bump:2.06135 Ang V16.CB and M22.SD other bump:1.13241 Ang V16.CG2 and M22.SD other bump:2.45804 Ang V16.CB and M22.CG other bump:2.97937 Ang V16.CG1 and M22.CG other bump:1.07333 Ang V16.CG2 and M22.CG other bump:2.49328 Ang V16.CG2 and M22.CB other bump:3.15242 Ang V16.CG2 and M22.CA other bump:2.97236 Ang R15.CA and T20.OG1 other bump:1.91757 Ang R15.O and T20.OG1 other bump:2.3613 Ang R15.C and T20.OG1 other bump:2.84867 Ang R15.CZ and T20.CG2 other bump:1.94336 Ang R15.NH2 and T20.CG2 other bump:3.07274 Ang R15.NH2 and T20.CB other bump:2.52644 Ang L4.CD2 and E8.OE1 Number of specific fragments= 2 total=23 Number of alignments=10 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ezvD/T0180-1ezvD-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1ezvD read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ezvD/T0180-1ezvD-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1ezvD in template set T0180 1 :MV 1ezvD 62 :MT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0180 3 :GRRPGGGLKDTKP 1ezvD 144 :PKKRPGKLSDYIP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0180 19 :RLYPDEIEALKSR 1ezvD 157 :GPYPNEQAARAAN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.86319 Ang Y4.CE2 and S13.OG other bump:2.96244 Ang Y4.CZ and S13.OG T0180 32 :VPANTSMSAYIRRI 1ezvD 181 :VKARHGGCDYIFSL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.54953 Ang Y11.CE1 and I15.CD1 other bump:2.46176 Ang Y11.CE2 and I15.CD1 other bump:2.08913 Ang Y11.CZ and I15.CD1 other bump:2.49762 Ang Y11.OH and I15.CD1 other bump:2.85362 Ang S7.CB and Y11.CB self-bump: 2.20547 Ang M8.CB and M8.C other bump:1.98743 Ang V2.CG1 and M8.CE other bump:2.44066 Ang V2.O and M8.CG self-bump: 1.30072 Ang M8.CA and M8.CB neighbor-bump: 2.09153 Ang T6.O and S7.CB neighbor-bump: 2.52585 Ang T6.C and S7.CB T0180 47 :LNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDT 1ezvD 195 :LTGYPDEPPAGVALPPGSNYNPYFPGGSIAMA Fragment has 50 clashes (null) has 50 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.35017 Ang D32.OD1 and T33.O other bump:2.9562 Ang R25.NH2 and L30.C other bump:2.18089 Ang R25.CG and L30.CD2 other bump:1.58969 Ang R25.NE and L30.CD2 other bump:2.57177 Ang R25.CZ and L30.CD2 other bump:2.94904 Ang R25.NH1 and L30.CD2 other bump:3.07946 Ang R25.CB and L30.CD2 other bump:0.688222 Ang R25.CD and L30.CD2 other bump:2.42283 Ang R25.NE and L30.CD1 other bump:2.62865 Ang R25.CB and L30.CD1 other bump:2.44276 Ang R25.CD and L30.CD1 other bump:2.65557 Ang R25.CG and L30.CG other bump:0.97496 Ang R25.NE and L30.CG other bump:2.8728 Ang R25.CB and L30.CG other bump:1.53655 Ang R25.CD and L30.CG other bump:1.80801 Ang R25.NE and L30.CB other bump:2.42815 Ang R25.CZ and L30.CB other bump:2.6413 Ang R25.NH2 and L30.CB other bump:2.79241 Ang R25.CD and L30.CB other bump:2.22751 Ang R25.NE and L30.CA other bump:1.88489 Ang R25.CZ and L30.CA other bump:1.75329 Ang R25.NH2 and L30.CA other bump:2.54679 Ang R25.NE and L30.N other bump:1.72669 Ang R25.CZ and L30.N other bump:2.71906 Ang R25.NH1 and L30.N other bump:0.57874 Ang R25.NH2 and L30.N other bump:2.96952 Ang R25.NE and G29.C other bump:1.72067 Ang R25.CZ and G29.C other bump:2.11985 Ang R25.NH1 and G29.C other bump:0.946337 Ang R25.NH2 and G29.C other bump:1.87314 Ang R25.CZ and G29.O other bump:1.41857 Ang R25.NH1 and G29.O other bump:1.89521 Ang R25.NH2 and G29.O other bump:2.96499 Ang R25.CZ and G29.CA other bump:2.11099 Ang R25.NH2 and G29.CA other bump:2.87197 Ang L5.CD2 and V22.CG2 other bump:2.06638 Ang H4.CD2 and V22.CG1 other bump:2.57378 Ang H4.NE2 and V22.CG1 other bump:1.99642 Ang G1.O and H4.NE2 other bump:2.24837 Ang G1.C and H4.NE2 other bump:1.26553 Ang G1.O and H4.CE1 other bump:0.945856 Ang G1.C and H4.CE1 other bump:2.26229 Ang L2.N and H4.CE1 other bump:1.54354 Ang G1.O and H4.ND1 other bump:1.42982 Ang G1.C and H4.ND1 other bump:2.449 Ang L2.N and H4.ND1 other bump:2.54864 Ang G1.O and H4.CD2 other bump:3.02212 Ang G1.C and H4.CD2 other bump:2.34 Ang G1.O and H4.CG other bump:2.69214 Ang G1.C and H4.CG T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHLEDD 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAEP Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.81313 Ang H32.C and D36.OD1 other bump:1.768 Ang H32.O and D36.OD1 self-bump: 1.39851 Ang D36.CA and D36.CB other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:2.44039 Ang P16.C and M21.CE other bump:1.93188 Ang P16.O and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 6 total=29 Number of alignments=11 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ezvD/T0180-1ezvD-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1ezvD read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ezvD/T0180-1ezvD-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1ezvD in template set T0180 1 :MV 1ezvD 62 :MT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0180 8 :GGLKDTKP 1ezvD 141 :QGNPKKRP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0180 16 :VVVRLYPDEIEALKSR 1ezvD 154 :YIPGPYPNEQAARAAN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.86319 Ang Y7.CE2 and S16.OG other bump:2.96244 Ang Y7.CZ and S16.OG T0180 32 :VPANTSM 1ezvD 173 :LPPDLSL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0180 39 :SAYIRR 1ezvD 188 :CDYIFS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0180 46 :ILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDT 1ezvD 194 :LLTGYPDEPPAGVALPPGSNYNPYFPGGSIAMA Fragment has 73 clashes (null) has 73 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.35017 Ang D33.OD1 and T34.O other bump:2.9562 Ang R26.NH2 and L31.C other bump:2.18089 Ang R26.CG and L31.CD2 other bump:1.58969 Ang R26.NE and L31.CD2 other bump:2.57177 Ang R26.CZ and L31.CD2 other bump:2.94904 Ang R26.NH1 and L31.CD2 other bump:3.07946 Ang R26.CB and L31.CD2 other bump:0.688222 Ang R26.CD and L31.CD2 other bump:2.42283 Ang R26.NE and L31.CD1 other bump:2.62865 Ang R26.CB and L31.CD1 other bump:2.44276 Ang R26.CD and L31.CD1 other bump:2.65557 Ang R26.CG and L31.CG other bump:0.97496 Ang R26.NE and L31.CG other bump:2.8728 Ang R26.CB and L31.CG other bump:1.53655 Ang R26.CD and L31.CG other bump:1.80801 Ang R26.NE and L31.CB other bump:2.42815 Ang R26.CZ and L31.CB other bump:2.6413 Ang R26.NH2 and L31.CB other bump:2.79241 Ang R26.CD and L31.CB other bump:2.22751 Ang R26.NE and L31.CA other bump:1.88489 Ang R26.CZ and L31.CA other bump:1.75329 Ang R26.NH2 and L31.CA other bump:2.54679 Ang R26.NE and L31.N other bump:1.72669 Ang R26.CZ and L31.N other bump:2.71906 Ang R26.NH1 and L31.N other bump:0.57874 Ang R26.NH2 and L31.N other bump:2.96952 Ang R26.NE and G30.C other bump:1.72067 Ang R26.CZ and G30.C other bump:2.11985 Ang R26.NH1 and G30.C other bump:0.946337 Ang R26.NH2 and G30.C other bump:1.87314 Ang R26.CZ and G30.O other bump:1.41857 Ang R26.NH1 and G30.O other bump:1.89521 Ang R26.NH2 and G30.O other bump:2.96499 Ang R26.CZ and G30.CA other bump:2.11099 Ang R26.NH2 and G30.CA other bump:2.37755 Ang G1.C and R25.NH1 other bump:3.09285 Ang G1.C and R25.CD other bump:2.87197 Ang L6.CD2 and V23.CG2 other bump:2.39517 Ang I2.CD1 and V23.CG1 other bump:2.06638 Ang H5.CD2 and V23.CG1 other bump:2.57378 Ang H5.NE2 and V23.CG1 other bump:1.71408 Ang I2.CD1 and H5.NE2 other bump:1.99657 Ang I2.CA and H5.NE2 other bump:2.3592 Ang I2.CB and H5.NE2 other bump:1.97067 Ang I2.CG1 and H5.NE2 other bump:1.99642 Ang I2.O and H5.NE2 other bump:2.24837 Ang I2.C and H5.NE2 other bump:3.07889 Ang G1.C and H5.CE1 other bump:2.83659 Ang I2.CD1 and H5.CE1 other bump:1.20329 Ang I2.CA and H5.CE1 other bump:2.09331 Ang I2.CB and H5.CE1 other bump:2.38572 Ang I2.CG1 and H5.CE1 other bump:1.26553 Ang I2.O and H5.CE1 other bump:0.945856 Ang I2.C and H5.CE1 other bump:2.26229 Ang L3.N and H5.CE1 other bump:2.48107 Ang I2.N and H5.CE1 other bump:1.76887 Ang G1.O and H5.ND1 other bump:2.31264 Ang G1.C and H5.ND1 other bump:1.78683 Ang I2.CA and H5.ND1 other bump:1.54354 Ang I2.O and H5.ND1 other bump:1.42982 Ang I2.C and H5.ND1 other bump:2.449 Ang L3.N and H5.ND1 other bump:2.34003 Ang I2.N and H5.ND1 other bump:2.51837 Ang I2.CD1 and H5.CD2 other bump:2.7561 Ang I2.CA and H5.CD2 other bump:2.54864 Ang I2.O and H5.CD2 other bump:3.02212 Ang I2.C and H5.CD2 other bump:2.06965 Ang G1.O and H5.CG other bump:2.92716 Ang G1.C and H5.CG other bump:2.66993 Ang I2.CA and H5.CG other bump:2.34 Ang I2.O and H5.CG other bump:2.69214 Ang I2.C and H5.CG other bump:2.19861 Ang G1.O and H5.CB T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHLED 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAE Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:1.93188 Ang P16.O and M21.CE other bump:2.44039 Ang P16.C and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 7 total=36 Number of alignments=12 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/T0180-1b65A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1b65A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/T0180-1b65A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1b65A in template set T0180 4 :RRPGGGLKDTKPVVVRLY 1b65A 23 :TGPYNAITDVDGVGVGFQ Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 1.53517 Ang K12.CA and P13.CD neighbor-bump: 1.81954 Ang K12.O and P13.CD neighbor-bump: 0.80041 Ang K12.C and P13.CD self-bump: 1.32822 Ang P13.N and P13.CD neighbor-bump: 2.12718 Ang K12.CB and P13.CD neighbor-bump: 2.24208 Ang K12.CG and P13.CD neighbor-bump: 2.89402 Ang K12.CA and P13.CG neighbor-bump: 1.98251 Ang K12.O and P13.CG neighbor-bump: 1.87394 Ang K12.C and P13.CG self-bump: 2.17909 Ang P13.N and P13.CG neighbor-bump: 2.90055 Ang K12.CB and P13.CG neighbor-bump: 2.43588 Ang K12.CG and P13.CG neighbor-bump: 2.04345 Ang K12.O and P13.CB neighbor-bump: 2.31779 Ang K12.C and P13.CB other bump:2.77268 Ang R3.CG and D10.OD2 other bump:1.85249 Ang R3.CB and D10.OD2 other bump:2.86644 Ang R3.CG and D10.CG other bump:2.60296 Ang R3.CD and D10.CG other bump:2.11579 Ang R3.CB and D10.CG other bump:2.31431 Ang R3.CG and D10.CB other bump:1.59953 Ang R3.CD and D10.CB other bump:2.62456 Ang R3.NE and D10.CB other bump:2.46426 Ang R3.CB and D10.CB other bump:2.82603 Ang R3.CD and D10.CA other bump:2.5475 Ang R3.NH1 and L8.C other bump:2.36277 Ang R3.NH1 and L8.CA other bump:2.65753 Ang R3.NH1 and L8.N other bump:3.11387 Ang R3.CZ and L8.N other bump:2.21655 Ang R3.NH1 and G7.C other bump:2.18697 Ang R3.NH2 and G7.C other bump:2.2746 Ang R3.CZ and G7.C other bump:1.4235 Ang R3.NH1 and G7.O other bump:2.19241 Ang R3.NH2 and G7.O other bump:1.55485 Ang R3.CZ and G7.O other bump:2.76563 Ang R3.NH2 and G7.CA other bump:3.2682 Ang R2.CD and G6.CA T0180 22 :PDEIE 1b65A 44 :ENEPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0180 28 :LKSRVPANTSM 1b65A 49 :PGRKRPARSGV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.62129 Ang T10.C and S11.OG neighbor-bump: 2.06304 Ang T10.O and S11.OG neighbor-bump: 3.056 Ang V6.CG1 and P7.CD self-bump: 1.28488 Ang L2.CA and L2.CB T0180 44 :RIILNHLEDDGG 1b65A 60 :TAILPHMQSETP Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.29816 Ang D10.CG and G12.C other bump:1.85938 Ang D10.OD2 and G12.O other bump:2.23229 Ang D10.CG and G12.O other bump:3.17279 Ang D10.CG and G12.N other bump:2.70582 Ang L5.CG and L8.CD2 other bump:2.31126 Ang L5.CD1 and L8.CD2 other bump:2.24223 Ang L5.CB and L8.CD2 T0180 59 :GGGGGGGMVG 1b65A 80 :RFNGNGEMTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0180 69 :R 1b65A 102 :P Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0180 71 :PGGGLKDTKPVVVRLYPDEIEALKSRVPA 1b65A 131 :QTDDFLWIMPVVAETYDGALNDINGFPVT Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:3.19666 Ang P18.CD and L24.CD2 other bump:2.00821 Ang D19.CG and L24.CD1 other bump:1.25805 Ang D19.OD2 and L24.CD1 other bump:2.27597 Ang D19.N and L24.CD1 other bump:2.48569 Ang D19.CA and L24.CD1 other bump:2.67188 Ang D19.CB and L24.CD1 other bump:2.06313 Ang D19.OD2 and L24.CG other bump:3.22208 Ang D19.CA and L24.CG other bump:2.19408 Ang D19.OD2 and L24.CB other bump:2.18006 Ang Y17.CD1 and D19.OD1 other bump:0.85972 Ang Y17.CE1 and D19.OD1 other bump:2.06692 Ang Y17.OH and D19.OD1 other bump:2.83748 Ang Y17.CE2 and D19.OD1 other bump:1.55823 Ang Y17.CZ and D19.OD1 other bump:2.76531 Ang Y17.CD1 and D19.CG other bump:1.79947 Ang Y17.CE1 and D19.CG other bump:2.36817 Ang Y17.OH and D19.CG other bump:2.76042 Ang Y17.CE1 and D19.CB other bump:2.10831 Ang Y17.OH and D19.CB other bump:2.66473 Ang Y17.CE2 and D19.CB other bump:2.11217 Ang Y17.CZ and D19.CB T0180 104 :SAYIRRIILNHLE 1b65A 160 :EADVRKALDNVAS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.5854 Ang H12.O and L13.CD2 neighbor-bump: 2.94637 Ang H12.CD2 and L13.N Number of specific fragments= 8 total=44 Number of alignments=13 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/T0180-1b65A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1b65A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/T0180-1b65A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1b65A in template set T0180 10 :LK 1b65A 10 :PR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0180 12 :DTKPVVVRLYPDEIEALKSRVPANTSMSA 1b65A 33 :DGVGVGFQTIIENEPRPGRKRPARSGVTA Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues neighbor-bump: 2.06304 Ang T26.O and S27.OG neighbor-bump: 2.62129 Ang T26.C and S27.OG neighbor-bump: 3.056 Ang V22.CG1 and P23.CD other bump:2.98277 Ang E16.CD and V22.N other bump:2.13306 Ang E16.CD and R21.C other bump:2.9302 Ang E16.CG and R21.C other bump:1.26139 Ang E16.OE2 and R21.C other bump:2.33717 Ang E16.CD and R21.O other bump:1.14837 Ang E16.OE2 and R21.O other bump:2.32796 Ang E16.CD and R21.CA other bump:2.58557 Ang E16.OE1 and R21.CA other bump:1.862 Ang E16.OE2 and R21.CA other bump:3.1643 Ang E16.CD and R21.N other bump:2.33286 Ang E16.OE1 and S20.O self-bump: 1.28488 Ang L18.CA and L18.CB neighbor-bump: 2.11772 Ang Y11.C and P12.CD neighbor-bump: 2.82238 Ang Y11.C and P12.CG other bump:2.2079 Ang R9.NH1 and Y11.OH other bump:1.31916 Ang R9.NH2 and Y11.OH other bump:2.51086 Ang R9.CD and Y11.OH other bump:1.0925 Ang R9.NE and Y11.OH other bump:0.916941 Ang R9.CZ and Y11.OH other bump:2.29537 Ang R9.NH2 and Y11.CZ other bump:1.89706 Ang R9.NE and Y11.CZ other bump:2.06699 Ang R9.CZ and Y11.CZ other bump:2.68656 Ang R9.NH2 and Y11.CE2 other bump:3.06557 Ang R9.CZ and Y11.CE2 other bump:2.78962 Ang R9.CG and Y11.CE1 other bump:2.57065 Ang R9.CD and Y11.CE1 other bump:2.29471 Ang R9.NE and Y11.CE1 other bump:2.85924 Ang R9.CZ and Y11.CE1 other bump:2.25302 Ang V8.CG1 and L10.CD1 other bump:2.86294 Ang V8.CG1 and L10.CG T0180 46 :ILNHLEDDGGGGGGGG 1b65A 62 :ILPHMQSETPVPVYAG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:3.29816 Ang D8.CG and G10.C other bump:1.85938 Ang D8.OD2 and G10.O other bump:2.23229 Ang D8.CG and G10.O other bump:3.17279 Ang D8.CG and G10.N other bump:2.24223 Ang L3.CB and L6.CD2 other bump:2.70582 Ang L3.CG and L6.CD2 other bump:2.31126 Ang L3.CD1 and L6.CD2 T0180 62 :GGGGMVGRR 1b65A 83 :GNGEMTGTH Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31508 Ang M6.CB and R9.NH2 other bump:2.49351 Ang M6.CG and R9.NH2 other bump:1.80692 Ang M6.SD and R9.NH2 other bump:1.92175 Ang M6.CE and R9.NH2 other bump:1.98571 Ang M6.CB and R9.NH1 other bump:1.99474 Ang M6.CB and R9.CZ other bump:2.43272 Ang M6.CG and R9.CZ other bump:2.26708 Ang M6.SD and R9.CZ other bump:3.10223 Ang M6.CE and R9.CZ other bump:2.81714 Ang M6.CB and R9.NE other bump:2.67798 Ang M6.CG and R9.NE other bump:2.26736 Ang M6.SD and R9.NE T0180 71 :PGGGLKDTKPVVVRLYPDEIEALKSRVPANTSMSAYIRRIILNHLEDD 1b65A 131 :QTDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVASGPVQEG Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues neighbor-bump: 1.72866 Ang D48.O and D49.CB neighbor-bump: 2.33349 Ang D48.C and D49.CB neighbor-bump: 2.35011 Ang N44.CB and H45.N self-bump: 2.14035 Ang N44.CB and N44.C self-bump: 1.30634 Ang N44.CA and N44.CB self-bump: 1.3922 Ang N31.CA and N31.CB other bump:3.19666 Ang P18.CD and L24.CD2 other bump:2.00821 Ang D19.CG and L24.CD1 other bump:1.25805 Ang D19.OD2 and L24.CD1 other bump:2.27597 Ang D19.N and L24.CD1 other bump:2.48569 Ang D19.CA and L24.CD1 other bump:2.67188 Ang D19.CB and L24.CD1 other bump:2.06313 Ang D19.OD2 and L24.CG other bump:3.22208 Ang D19.CA and L24.CG other bump:2.19408 Ang D19.OD2 and L24.CB other bump:2.18006 Ang Y17.CD1 and D19.OD1 other bump:0.85972 Ang Y17.CE1 and D19.OD1 other bump:2.83748 Ang Y17.CE2 and D19.OD1 other bump:1.55823 Ang Y17.CZ and D19.OD1 other bump:2.06692 Ang Y17.OH and D19.OD1 other bump:2.76531 Ang Y17.CD1 and D19.CG other bump:1.79947 Ang Y17.CE1 and D19.CG other bump:2.36817 Ang Y17.OH and D19.CG other bump:2.76042 Ang Y17.CE1 and D19.CB other bump:2.66473 Ang Y17.CE2 and D19.CB other bump:2.11217 Ang Y17.CZ and D19.CB other bump:2.10831 Ang Y17.OH and D19.CB Number of specific fragments= 5 total=49 Number of alignments=14 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1qqfA/T0180-1qqfA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1qqfA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1qqfA/T0180-1qqfA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1qqfA in template set T0180 2 :VGRRPGGGLKDTKP 1qqfA 1058 :AFKQPISAYAAFNN Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.44727 Ang K14.N and P15.CD self-bump: 1.3207 Ang P15.N and P15.CD neighbor-bump: 2.06347 Ang K14.C and P15.CD self-bump: 2.18752 Ang P15.N and P15.CG other bump:1.91198 Ang G3.CA and K14.NZ other bump:1.32225 Ang G3.C and K14.NZ other bump:2.15756 Ang G3.O and K14.NZ other bump:1.53227 Ang R4.N and K14.NZ other bump:2.53448 Ang R4.CA and K14.NZ other bump:2.62594 Ang R4.C and K14.NZ other bump:2.06278 Ang V2.O and K14.CE other bump:2.49172 Ang G3.N and K14.CE other bump:1.86512 Ang G3.CA and K14.CE other bump:2.29848 Ang G3.C and K14.CE other bump:2.55609 Ang V2.C and K14.CE other bump:3.15665 Ang G3.CA and K14.CD neighbor-bump: 2.68866 Ang D12.OD1 and T13.CG2 other bump:1.59798 Ang R5.NH2 and K11.CG other bump:2.31606 Ang R5.NH2 and K11.CB T0180 19 :RLYPDEIEALKSRV 1qqfA 1072 :RPPSTWLTAYVSRV Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.32693 Ang Y4.CE2 and E9.OE1 other bump:2.17159 Ang Y4.CZ and E9.OE1 other bump:3.19595 Ang Y4.CE2 and E9.CD other bump:2.79424 Ang Y4.CZ and E9.CD other bump:2.43953 Ang Y4.OH and E9.CD other bump:1.75821 Ang Y4.OH and E9.CG other bump:2.90598 Ang Y4.CE2 and E9.CB other bump:2.77503 Ang Y4.CE1 and E9.CB other bump:1.89312 Ang Y4.CZ and E9.CB other bump:0.541931 Ang Y4.OH and E9.CB other bump:3.08755 Ang Y4.CZ and E9.CA other bump:1.95126 Ang Y4.OH and E9.CA self-bump: 1.39076 Ang D6.CA and D6.CB neighbor-bump: 3.1045 Ang Y4.CE2 and P5.C neighbor-bump: 2.52259 Ang Y4.CE2 and P5.O neighbor-bump: 2.5484 Ang Y4.CZ and P5.O T0180 33 :PANTSMSAYIRRIILNH 1qqfA 1095 :IDSQVLCGAVKWLILEK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.9724 Ang Y10.CE2 and I14.CD1 other bump:2.30576 Ang Y10.CD1 and R13.NH2 other bump:2.27846 Ang Y10.CE1 and R13.NH2 T0180 69 :RRPGGGLKDTKPV 1qqfA 1112 :QKPDGVFQEDGPV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0180 85 :LYPDEIEALKSRVPANTSMSAYIRRIILNHLE 1qqfA 1125 :IHQEMIGGFRNTKEADVSLTAFVLIALQEARD Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.42997 Ang I27.O and H31.CD2 other bump:2.93161 Ang Y23.CZ and I27.CD1 other bump:2.63828 Ang Y23.CE2 and I27.CD1 neighbor-bump: 3.10805 Ang V14.CG1 and P15.CA neighbor-bump: 1.95289 Ang V14.CG1 and P15.N self-bump: 2.34743 Ang V14.CG1 and V14.C self-bump: 1.29695 Ang V14.CA and V14.CB other bump:2.92447 Ang P4.C and K11.CE neighbor-bump: 3.19152 Ang E8.CG and A9.CA neighbor-bump: 2.22477 Ang E8.CG and A9.N self-bump: 2.18768 Ang E8.CB and E8.C self-bump: 2.47257 Ang E8.CG and E8.C self-bump: 1.2975 Ang E8.CA and E8.CB other bump:2.52086 Ang Y3.O and E6.CG Number of specific fragments= 5 total=54 Number of alignments=15 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1qqfA/T0180-1qqfA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1qqfA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1qqfA/T0180-1qqfA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1qqfA in template set T0180 9 :GLKD 1qqfA 1038 :GLEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0180 20 :LYPDEIEALKSRVPANTSMSAYIRRIILNHLEDDG 1qqfA 1060 :KQPISAYAAFNNRPPSTWLTAYVSRVFSLAANLIA Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.53414 Ang I28.O and L32.CG other bump:2.18662 Ang E8.CD and I24.CD1 other bump:1.49473 Ang E8.OE1 and I24.CD1 other bump:2.18689 Ang E8.OE2 and I24.CG2 other bump:2.79255 Ang E8.CD and I24.CG2 other bump:2.7784 Ang E8.OE1 and I24.CG2 other bump:3.11276 Ang E8.CD and I24.CG1 other bump:2.61588 Ang E8.OE1 and I24.CG1 other bump:2.89958 Ang E8.OE1 and I24.CB other bump:2.81806 Ang I7.CG1 and S21.OG other bump:2.44537 Ang E8.O and M20.CE other bump:2.14634 Ang E8.C and M20.CE other bump:2.21551 Ang A9.N and M20.CE other bump:2.50856 Ang A9.CA and M20.CE other bump:2.70699 Ang E8.CB and M20.CE other bump:2.76945 Ang I7.CG1 and A16.CB other bump:2.10754 Ang I7.CD1 and A16.CB other bump:2.75213 Ang Y3.CZ and V14.O other bump:2.04393 Ang Y3.OH and V14.O other bump:3.07187 Ang K11.N and V14.CG1 other bump:2.60992 Ang A9.CB and V14.CG1 other bump:2.60494 Ang Y3.OH and V14.N other bump:3.2334 Ang Y3.CZ and S12.C other bump:2.50402 Ang Y3.CE2 and S12.O other bump:2.71807 Ang Y3.CZ and S12.O other bump:2.18368 Ang Y3.OH and K11.O other bump:2.17814 Ang D5.OD2 and I7.CG2 other bump:2.29376 Ang D5.OD1 and I7.CG2 other bump:2.55688 Ang D5.CG and I7.CG2 other bump:3.03876 Ang L2.CD1 and E6.CA T0180 69 :RRPGGGLKDTKPVV 1qqfA 1112 :QKPDGVFQEDGPVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 86 :YPDEIEALKSRVPANTSMSAYIRRIILNHL 1qqfA 1126 :HQEMIGGFRNTKEADVSLTAFVLIALQEAR Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.42997 Ang I26.O and H30.CD2 other bump:2.93161 Ang Y22.CZ and I26.CD1 other bump:2.63828 Ang Y22.CE2 and I26.CD1 neighbor-bump: 3.10805 Ang V13.CG1 and P14.CA neighbor-bump: 1.95289 Ang V13.CG1 and P14.N self-bump: 2.34743 Ang V13.CG1 and V13.C self-bump: 1.29695 Ang V13.CA and V13.CB other bump:2.92447 Ang P3.C and K10.CE neighbor-bump: 3.19152 Ang E7.CG and A8.CA neighbor-bump: 2.22477 Ang E7.CG and A8.N self-bump: 2.18768 Ang E7.CB and E7.C self-bump: 2.47257 Ang E7.CG and E7.C self-bump: 1.2975 Ang E7.CA and E7.CB other bump:2.52086 Ang Y2.O and E5.CG Number of specific fragments= 4 total=58 Number of alignments=16 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/1d2zA-T0180-fssp-global-adpstyle5.pw.a2m.gz # 1d2zA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/1d2zA-T0180-fssp-global-adpstyle5.pw.a2m.gz # found chain 1d2zA in template set T0180 13 :TKPVVVRLYPD 1d2zA 29 :DNTMAIRLLPL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.99917 Ang V7.CA and Y10.CE1 other bump:2.97622 Ang V7.CA and Y10.CD1 other bump:3.02994 Ang V6.CG2 and L9.CG other bump:3.05111 Ang V6.CG2 and R8.CG other bump:3.27026 Ang T2.CA and P4.CD other bump:2.82453 Ang T2.CG2 and P4.CD other bump:2.76335 Ang T2.C and P4.CD neighbor-bump: 2.32295 Ang K3.N and P4.CD T0180 24 :EIEALKSRVPANTSMSAYIRRI 1d2zA 41 :VRAQLCAHLDALDVWQQLATAV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:3.01102 Ang S15.CB and Y19.CE1 other bump:2.59139 Ang S15.O and Y19.CD1 other bump:1.89716 Ang R9.CZ and N13.ND2 other bump:1.30203 Ang R9.NH1 and N13.ND2 other bump:2.0603 Ang R9.NH2 and N13.ND2 other bump:2.54974 Ang K7.C and P11.CD other bump:1.38213 Ang K7.O and P11.CD other bump:3.142 Ang S8.C and P11.CD other bump:2.85357 Ang K7.C and P11.CG other bump:1.72847 Ang K7.O and P11.CG T0180 84 :RLYPDEIEALKSR 1d2zA 63 :KLYPDQVEQISSQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.52644 Ang L3.CD2 and E7.OE1 T0180 97 :VPANTSMSAYI 1d2zA 81 :SASNEFLNIWG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0180 108 :RRIILNHLEDD 1d2zA 110 :LHNAMRLIKDY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.39771 Ang I4.O and H8.CD2 Number of specific fragments= 5 total=63 Number of alignments=17 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/1d2zA-T0180-fssp-global-adpstyle1.pw.a2m.gz # 1d2zA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/1d2zA-T0180-fssp-global-adpstyle1.pw.a2m.gz # found chain 1d2zA in template set T0180 13 :TKPVVVRLYPD 1d2zA 29 :DNTMAIRLLPL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.99917 Ang V7.CA and Y10.CE1 other bump:2.97622 Ang V7.CA and Y10.CD1 other bump:3.02994 Ang V6.CG2 and L9.CG other bump:3.05111 Ang V6.CG2 and R8.CG other bump:3.27026 Ang T2.CA and P4.CD other bump:2.82453 Ang T2.CG2 and P4.CD other bump:2.76335 Ang T2.C and P4.CD neighbor-bump: 2.32295 Ang K3.N and P4.CD T0180 24 :EIEALKSRVPANTSMSAYIRRI 1d2zA 41 :VRAQLCAHLDALDVWQQLATAV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:3.01102 Ang S15.CB and Y19.CE1 other bump:2.59139 Ang S15.O and Y19.CD1 other bump:1.89716 Ang R9.CZ and N13.ND2 other bump:1.30203 Ang R9.NH1 and N13.ND2 other bump:2.0603 Ang R9.NH2 and N13.ND2 other bump:2.54974 Ang K7.C and P11.CD other bump:1.38213 Ang K7.O and P11.CD other bump:3.142 Ang S8.C and P11.CD other bump:2.85357 Ang K7.C and P11.CG other bump:1.72847 Ang K7.O and P11.CG T0180 84 :RLYPDEIEALKSR 1d2zA 63 :KLYPDQVEQISSQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.52644 Ang L3.CD2 and E7.OE1 T0180 97 :VPANTSMSAYIR 1d2zA 81 :SASNEFLNIWGG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30887 Ang S9.O and R13.CB T0180 109 :RIILNHLEDD 1d2zA 99 :QTLFALFKKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 5 total=68 Number of alignments=18 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1frqA/T0180-1frqA-local-adpstyle1.pw.a2m.gz # 1frqA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1frqA/T0180-1frqA-local-adpstyle1.pw.a2m.gz # adding 1frqA to template set 1frqA:# found chain 1frqA in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1frqA 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGDAK Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.16259 Ang K29.CD and G36.CA other bump:2.38085 Ang K29.CE and G36.CA other bump:2.68568 Ang K29.CE and G36.N other bump:2.93039 Ang R31.C and P33.CD self-bump: 2.16476 Ang P33.CA and P33.CD self-bump: 2.10093 Ang P33.CA and P33.CG neighbor-bump: 2.55571 Ang R31.C and V32.CB other bump:2.0451 Ang I25.CD1 and S30.N other bump:2.57885 Ang I25.CD1 and K29.C other bump:3.10792 Ang I25.CG1 and K29.C other bump:2.98546 Ang I25.CD1 and K29.CB neighbor-bump: 2.53039 Ang L28.C and K29.CB neighbor-bump: 2.12221 Ang L28.O and K29.CB other bump:2.42578 Ang I25.CD1 and K29.CA other bump:2.87467 Ang I25.CG1 and K29.CA other bump:2.20291 Ang D23.OD1 and I25.O other bump:2.6746 Ang V16.CG1 and R19.NH1 other bump:3.02213 Ang R5.NE and V18.CG2 other bump:2.65304 Ang R5.CZ and V18.CG2 other bump:2.71859 Ang R5.NH1 and V18.CG2 neighbor-bump: 1.65963 Ang D12.O and T13.OG1 neighbor-bump: 2.30429 Ang D12.C and T13.OG1 T0180 37 :SMSAYIRRIILN 1frqA 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1frqA 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.84924 Ang K29.CB and P30.CA neighbor-bump: 2.33082 Ang K29.CG and P30.CA neighbor-bump: 2.37669 Ang K29.CG and P30.N neighbor-bump: 1.88359 Ang T28.O and K29.CB neighbor-bump: 2.36905 Ang T28.C and K29.CB other bump:3.11247 Ang R19.CD and L25.CD2 other bump:2.52406 Ang R19.NE and L25.CD2 other bump:1.4889 Ang R19.CZ and L25.CD2 other bump:0.219436 Ang R19.NH1 and L25.CD2 other bump:2.3324 Ang R19.NH2 and L25.CD2 other bump:2.80071 Ang R19.CD and L25.CD1 other bump:2.66458 Ang R19.NE and L25.CD1 other bump:2.47768 Ang R19.CZ and L25.CD1 other bump:2.37513 Ang R19.NH1 and L25.CD1 other bump:2.59199 Ang R19.NH1 and L25.CB other bump:2.10195 Ang M16.SD and R19.NH2 other bump:2.04022 Ang M16.CE and R19.NH2 other bump:2.28675 Ang M16.SD and R19.CZ other bump:2.98989 Ang M16.CE and R19.CZ other bump:1.9548 Ang M16.SD and R19.NE Number of specific fragments= 3 total=71 Number of alignments=19 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1bx1A/T0180-1bx1A-local-adpstyle1.pw.a2m.gz # 1bx1A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1bx1A/T0180-1bx1A-local-adpstyle1.pw.a2m.gz # adding 1bx1A to template set 1bx1A:# found chain 1bx1A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1bx1A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGDAK Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.22334 Ang K29.CD and G36.CA other bump:2.44124 Ang K29.CE and G36.CA self-bump: 2.15797 Ang P33.CA and P33.CD self-bump: 2.08864 Ang P33.CA and P33.CG neighbor-bump: 2.54427 Ang R31.C and V32.CB other bump:2.21449 Ang I25.CD1 and S30.N other bump:2.62654 Ang I25.CD1 and K29.C other bump:3.0985 Ang I25.CG1 and K29.C other bump:2.81031 Ang I25.CD1 and K29.CD other bump:2.79283 Ang I25.CD1 and K29.CB neighbor-bump: 2.61178 Ang L28.C and K29.CB neighbor-bump: 2.23584 Ang L28.O and K29.CB other bump:2.30903 Ang I25.CD1 and K29.CA other bump:2.7611 Ang I25.CG1 and K29.CA other bump:2.27841 Ang D23.OD1 and I25.O other bump:2.70791 Ang D23.OD1 and I25.CG2 other bump:2.76724 Ang V16.CG1 and R19.NH1 other bump:3.19452 Ang R5.NE and V18.CG2 other bump:2.84092 Ang R5.CZ and V18.CG2 neighbor-bump: 1.59173 Ang D12.O and T13.OG1 neighbor-bump: 2.30081 Ang D12.C and T13.OG1 T0180 37 :SMSAYIRRIILN 1bx1A 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1bx1A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.87217 Ang K29.CB and P30.CA neighbor-bump: 2.34007 Ang K29.CG and P30.CA neighbor-bump: 2.40297 Ang K29.CG and P30.N neighbor-bump: 1.86672 Ang T28.O and K29.CB neighbor-bump: 2.36352 Ang T28.C and K29.CB other bump:2.74079 Ang R19.NE and L25.CD2 other bump:1.72482 Ang R19.CZ and L25.CD2 other bump:0.451951 Ang R19.NH1 and L25.CD2 other bump:2.52747 Ang R19.NH2 and L25.CD2 other bump:2.5546 Ang R19.NE and L25.CD1 other bump:2.69943 Ang R19.CD and L25.CD1 other bump:2.32374 Ang R19.CZ and L25.CD1 other bump:2.16311 Ang R19.NH1 and L25.CD1 other bump:2.55761 Ang R19.NH1 and L25.CB other bump:1.93907 Ang M16.SD and R19.NH2 other bump:1.9249 Ang M16.CE and R19.NH2 other bump:2.18253 Ang M16.SD and R19.CZ other bump:2.94332 Ang M16.CE and R19.CZ other bump:1.94051 Ang M16.SD and R19.NE Number of specific fragments= 3 total=74 Number of alignments=20 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1bx1A/T0180-1bx1A-local-adpstyle5.pw.a2m.gz # 1bx1A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1bx1A/T0180-1bx1A-local-adpstyle5.pw.a2m.gz # found chain 1bx1A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1bx1A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGD Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.16857 Ang R31.CA and P33.CD neighbor-bump: 2.27456 Ang V32.N and P33.CD other bump:2.14147 Ang R31.O and P33.CD other bump:2.14217 Ang R31.C and P33.CD self-bump: 1.3958 Ang P33.N and P33.CD neighbor-bump: 2.54427 Ang R31.C and V32.CB other bump:2.21449 Ang I25.CD1 and S30.N other bump:3.0985 Ang I25.CG1 and K29.C other bump:2.62654 Ang I25.CD1 and K29.C other bump:2.81031 Ang I25.CD1 and K29.CD other bump:2.79283 Ang I25.CD1 and K29.CB neighbor-bump: 2.23584 Ang L28.O and K29.CB neighbor-bump: 2.61178 Ang L28.C and K29.CB other bump:2.7611 Ang I25.CG1 and K29.CA other bump:2.30903 Ang I25.CD1 and K29.CA other bump:2.27841 Ang D23.OD1 and I25.O other bump:2.70791 Ang D23.OD1 and I25.CG2 other bump:2.76724 Ang V16.CG1 and R19.NH1 other bump:3.19452 Ang R5.NE and V18.CG2 other bump:2.84092 Ang R5.CZ and V18.CG2 neighbor-bump: 1.59173 Ang D12.O and T13.OG1 neighbor-bump: 2.30081 Ang D12.C and T13.OG1 T0180 35 :NTSMSAYIRRIILN 1bx1A 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVVVR 1bx1A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVGKE Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.05508 Ang V31.O and V32.CG2 neighbor-bump: 2.58451 Ang V31.C and V32.CG2 neighbor-bump: 2.15683 Ang V31.O and V32.CB neighbor-bump: 2.61624 Ang V31.C and V32.CB neighbor-bump: 2.87217 Ang K29.CB and P30.CA neighbor-bump: 2.34007 Ang K29.CG and P30.CA neighbor-bump: 2.40297 Ang K29.CG and P30.N neighbor-bump: 2.36352 Ang T28.C and K29.CB neighbor-bump: 1.86672 Ang T28.O and K29.CB other bump:2.74079 Ang R19.NE and L25.CD2 other bump:1.72482 Ang R19.CZ and L25.CD2 other bump:0.451951 Ang R19.NH1 and L25.CD2 other bump:2.52747 Ang R19.NH2 and L25.CD2 other bump:2.5546 Ang R19.NE and L25.CD1 other bump:2.69943 Ang R19.CD and L25.CD1 other bump:2.32374 Ang R19.CZ and L25.CD1 other bump:2.16311 Ang R19.NH1 and L25.CD1 other bump:2.55761 Ang R19.NH1 and L25.CB other bump:1.93907 Ang M16.SD and R19.NH2 other bump:1.9249 Ang M16.CE and R19.NH2 other bump:2.18253 Ang M16.SD and R19.CZ other bump:2.94332 Ang M16.CE and R19.CZ other bump:1.94051 Ang M16.SD and R19.NE Number of specific fragments= 3 total=77 Number of alignments=21 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1frqA/T0180-1frqA-local-adpstyle5.pw.a2m.gz # 1frqA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1frqA/T0180-1frqA-local-adpstyle5.pw.a2m.gz # found chain 1frqA in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1frqA 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGD Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.25776 Ang V32.N and P33.CD other bump:3.14545 Ang R31.CA and P33.CD other bump:2.10899 Ang R31.O and P33.CD other bump:2.11682 Ang R31.C and P33.CD self-bump: 1.39467 Ang P33.N and P33.CD other bump:3.28616 Ang R31.C and P33.CG neighbor-bump: 2.55571 Ang R31.C and V32.CB other bump:2.0451 Ang I25.CD1 and S30.N other bump:3.10792 Ang I25.CG1 and K29.C other bump:2.57885 Ang I25.CD1 and K29.C other bump:2.98546 Ang I25.CD1 and K29.CB neighbor-bump: 2.12221 Ang L28.O and K29.CB neighbor-bump: 2.53039 Ang L28.C and K29.CB other bump:2.87467 Ang I25.CG1 and K29.CA other bump:2.42578 Ang I25.CD1 and K29.CA other bump:2.20291 Ang D23.OD1 and I25.O other bump:2.6746 Ang V16.CG1 and R19.NH1 other bump:3.02213 Ang R5.NE and V18.CG2 other bump:2.65304 Ang R5.CZ and V18.CG2 other bump:2.71859 Ang R5.NH1 and V18.CG2 neighbor-bump: 1.65963 Ang D12.O and T13.OG1 neighbor-bump: 2.30429 Ang D12.C and T13.OG1 T0180 35 :NTSMSAYIRRIILN 1frqA 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVVVR 1frqA 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVGKE Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 1.89649 Ang V31.O and V32.CG2 neighbor-bump: 2.51674 Ang V31.C and V32.CG2 neighbor-bump: 2.08003 Ang V31.O and V32.CB neighbor-bump: 2.58837 Ang V31.C and V32.CB neighbor-bump: 2.84924 Ang K29.CB and P30.CA neighbor-bump: 2.33082 Ang K29.CG and P30.CA neighbor-bump: 2.37669 Ang K29.CG and P30.N neighbor-bump: 2.36905 Ang T28.C and K29.CB neighbor-bump: 1.88359 Ang T28.O and K29.CB other bump:3.11247 Ang R19.CD and L25.CD2 other bump:2.52406 Ang R19.NE and L25.CD2 other bump:1.4889 Ang R19.CZ and L25.CD2 other bump:0.219436 Ang R19.NH1 and L25.CD2 other bump:2.3324 Ang R19.NH2 and L25.CD2 other bump:2.80071 Ang R19.CD and L25.CD1 other bump:2.66458 Ang R19.NE and L25.CD1 other bump:2.47768 Ang R19.CZ and L25.CD1 other bump:2.37513 Ang R19.NH1 and L25.CD1 other bump:2.59199 Ang R19.NH1 and L25.CB other bump:2.10195 Ang M16.SD and R19.NH2 other bump:2.04022 Ang M16.CE and R19.NH2 other bump:2.28675 Ang M16.SD and R19.CZ other bump:2.98989 Ang M16.CE and R19.CZ other bump:1.9548 Ang M16.SD and R19.NE Number of specific fragments= 3 total=80 Number of alignments=22 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1bx0A/T0180-1bx0A-local-adpstyle5.pw.a2m.gz # 1bx0A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1bx0A/T0180-1bx0A-local-adpstyle5.pw.a2m.gz # adding 1bx0A to template set 1bx0A:# found chain 1bx0A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1bx0A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGD Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.20966 Ang R31.CA and P33.CD neighbor-bump: 2.25489 Ang V32.N and P33.CD other bump:2.19088 Ang R31.O and P33.CD other bump:2.17524 Ang R31.C and P33.CD neighbor-bump: 2.1086 Ang V32.C and P33.CD self-bump: 1.3977 Ang P33.N and P33.CD neighbor-bump: 2.50371 Ang R31.C and V32.CB other bump:2.19055 Ang I25.CD1 and S30.N other bump:3.09031 Ang I25.CG1 and K29.C other bump:2.58392 Ang I25.CD1 and K29.C other bump:2.86575 Ang I25.CD1 and K29.CD other bump:2.81035 Ang I25.CD1 and K29.CB neighbor-bump: 2.22861 Ang L28.O and K29.CB neighbor-bump: 2.5981 Ang L28.C and K29.CB other bump:2.75836 Ang I25.CG1 and K29.CA other bump:2.27074 Ang I25.CD1 and K29.CA other bump:2.76182 Ang D23.OD1 and I25.CG2 other bump:2.81947 Ang V16.CG1 and R19.NH1 other bump:3.28611 Ang R5.NE and V18.CG2 other bump:2.96104 Ang R5.CZ and V18.CG2 neighbor-bump: 1.55423 Ang D12.O and T13.OG1 neighbor-bump: 2.30981 Ang D12.C and T13.OG1 T0180 35 :NTSMSAYIRRIILN 1bx0A 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVVVR 1bx0A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVGKE Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.02086 Ang V31.O and V32.CG2 neighbor-bump: 2.55995 Ang V31.C and V32.CG2 neighbor-bump: 2.11864 Ang V31.O and V32.CB neighbor-bump: 2.59902 Ang V31.C and V32.CB neighbor-bump: 2.89139 Ang K29.CB and P30.CA neighbor-bump: 2.34572 Ang K29.CG and P30.CA neighbor-bump: 2.41295 Ang K29.CG and P30.N neighbor-bump: 2.35801 Ang T28.C and K29.CB neighbor-bump: 1.84416 Ang T28.O and K29.CB other bump:3.19491 Ang R19.CD and L25.CD2 other bump:2.61241 Ang R19.NE and L25.CD2 other bump:1.57644 Ang R19.CZ and L25.CD2 other bump:0.353693 Ang R19.NH1 and L25.CD2 other bump:2.38672 Ang R19.NH2 and L25.CD2 other bump:2.46505 Ang R19.CD and L25.CD1 other bump:2.42051 Ang R19.NE and L25.CD1 other bump:2.31184 Ang R19.CZ and L25.CD1 other bump:2.18644 Ang R19.NH1 and L25.CD1 other bump:2.47775 Ang R19.NH1 and L25.CB other bump:2.25739 Ang M16.SD and R19.NH2 other bump:2.23505 Ang M16.CE and R19.NH2 other bump:2.45 Ang M16.SD and R19.CZ other bump:3.14503 Ang M16.CE and R19.CZ other bump:2.07064 Ang M16.SD and R19.NE Number of specific fragments= 3 total=83 Number of alignments=23 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1bx0A/T0180-1bx0A-local-adpstyle1.pw.a2m.gz # 1bx0A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1bx0A/T0180-1bx0A-local-adpstyle1.pw.a2m.gz # found chain 1bx0A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1bx0A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGDAK Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.14305 Ang K29.CD and G36.CA other bump:2.34326 Ang K29.CE and G36.CA other bump:2.73158 Ang K29.CE and G36.N self-bump: 2.17115 Ang P33.CA and P33.CD self-bump: 2.10074 Ang P33.CA and P33.CG neighbor-bump: 2.50371 Ang R31.C and V32.CB other bump:2.19055 Ang I25.CD1 and S30.N other bump:2.58392 Ang I25.CD1 and K29.C other bump:3.09031 Ang I25.CG1 and K29.C other bump:2.86575 Ang I25.CD1 and K29.CD other bump:2.81035 Ang I25.CD1 and K29.CB neighbor-bump: 2.5981 Ang L28.C and K29.CB neighbor-bump: 2.22861 Ang L28.O and K29.CB other bump:2.27074 Ang I25.CD1 and K29.CA other bump:2.75836 Ang I25.CG1 and K29.CA other bump:2.76182 Ang D23.OD1 and I25.CG2 other bump:2.81947 Ang V16.CG1 and R19.NH1 other bump:3.28611 Ang R5.NE and V18.CG2 other bump:2.96104 Ang R5.CZ and V18.CG2 neighbor-bump: 1.55423 Ang D12.O and T13.OG1 neighbor-bump: 2.30981 Ang D12.C and T13.OG1 T0180 37 :SMSAYIRRIILN 1bx0A 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1bx0A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.89139 Ang K29.CB and P30.CA neighbor-bump: 2.34572 Ang K29.CG and P30.CA neighbor-bump: 2.41295 Ang K29.CG and P30.N neighbor-bump: 1.84416 Ang T28.O and K29.CB neighbor-bump: 2.35801 Ang T28.C and K29.CB other bump:3.19491 Ang R19.CD and L25.CD2 other bump:2.61241 Ang R19.NE and L25.CD2 other bump:1.57644 Ang R19.CZ and L25.CD2 other bump:0.353693 Ang R19.NH1 and L25.CD2 other bump:2.38672 Ang R19.NH2 and L25.CD2 other bump:2.46505 Ang R19.CD and L25.CD1 other bump:2.42051 Ang R19.NE and L25.CD1 other bump:2.31184 Ang R19.CZ and L25.CD1 other bump:2.18644 Ang R19.NH1 and L25.CD1 other bump:2.47775 Ang R19.NH1 and L25.CB other bump:2.25739 Ang M16.SD and R19.NH2 other bump:2.23505 Ang M16.CE and R19.NH2 other bump:2.45 Ang M16.SD and R19.CZ other bump:3.14503 Ang M16.CE and R19.CZ other bump:2.07064 Ang M16.SD and R19.NE Number of specific fragments= 3 total=86 Number of alignments=24 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1frn/T0180-1frn-local-adpstyle1.pw.a2m.gz # 1frn read from /projects/compbio/experiments/casp5/t0180/t0180-double/1frn/T0180-1frn-local-adpstyle1.pw.a2m.gz # adding 1frn to template set 1frn:# found chain 1frn in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1frn 76 :VGVIPDGEDKNGKPHKLRLYVIASSALGDFGDAK Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.205 Ang K29.CD and G36.CA other bump:2.4017 Ang K29.CE and G36.CA other bump:2.77551 Ang R31.C and P33.CD self-bump: 2.23555 Ang P33.CA and P33.CD self-bump: 2.14605 Ang P33.CA and P33.CG neighbor-bump: 2.60444 Ang R31.C and V32.CB other bump:2.30651 Ang I25.CD1 and S30.N other bump:3.0923 Ang I25.CG1 and K29.C other bump:2.73088 Ang I25.CD1 and K29.C other bump:2.60412 Ang I25.CD1 and K29.CD other bump:2.69854 Ang I25.CD1 and K29.CB neighbor-bump: 2.61099 Ang L28.C and K29.CB neighbor-bump: 2.31159 Ang L28.O and K29.CB other bump:2.69679 Ang I25.CG1 and K29.CA other bump:2.31088 Ang I25.CD1 and K29.CA other bump:2.60867 Ang D23.OD1 and I25.CG2 other bump:2.7055 Ang V16.CG1 and R19.NH1 other bump:3.32833 Ang R5.NE and V18.CG2 other bump:2.97408 Ang R5.CZ and V18.CG2 neighbor-bump: 2.71034 Ang V16.CG1 and V17.O other bump:2.99822 Ang P6.CG and V16.CG1 other bump:3.14602 Ang P6.CD and V16.CG1 other bump:2.42386 Ang L10.N and K14.O neighbor-bump: 1.44106 Ang D12.O and T13.OG1 neighbor-bump: 2.18932 Ang D12.C and T13.OG1 neighbor-bump: 2.68979 Ang D12.C and T13.CB T0180 37 :SMSAYIRRIILN 1frn 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1frn 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.72547 Ang K29.CB and P30.CA neighbor-bump: 2.11324 Ang K29.CG and P30.CA neighbor-bump: 3.27171 Ang K29.CD and P30.CA neighbor-bump: 2.22703 Ang K29.CG and P30.N neighbor-bump: 1.85411 Ang T28.O and K29.CB neighbor-bump: 2.34529 Ang T28.C and K29.CB other bump:2.99217 Ang R19.CD and L25.CD2 other bump:2.47639 Ang R19.NE and L25.CD2 other bump:1.51667 Ang R19.CZ and L25.CD2 other bump:0.201127 Ang R19.NH1 and L25.CD2 other bump:2.44048 Ang R19.NH2 and L25.CD2 other bump:2.70833 Ang R19.CD and L25.CD1 other bump:2.61797 Ang R19.NE and L25.CD1 other bump:2.53837 Ang R19.CZ and L25.CD1 other bump:2.51906 Ang R19.NH1 and L25.CD1 other bump:2.6267 Ang R19.NH1 and L25.CB other bump:2.1191 Ang M16.SD and R19.NH2 other bump:1.95123 Ang M16.CE and R19.NH2 other bump:2.24847 Ang M16.SD and R19.CZ other bump:2.87605 Ang M16.CE and R19.CZ other bump:1.86349 Ang M16.SD and R19.NE other bump:3.24139 Ang M16.CE and R19.NE Number of specific fragments= 3 total=89 Number of alignments=25 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1frn/T0180-1frn-local-adpstyle5.pw.a2m.gz # 1frn read from /projects/compbio/experiments/casp5/t0180/t0180-double/1frn/T0180-1frn-local-adpstyle5.pw.a2m.gz # found chain 1frn in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1frn 76 :VGVIPDGEDKNGKPHKLRLYVIASSALGDFGD Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.15657 Ang V32.N and P33.CD other bump:3.08876 Ang R31.CA and P33.CD other bump:2.06321 Ang R31.O and P33.CD other bump:2.02723 Ang R31.C and P33.CD neighbor-bump: 2.47544 Ang V32.CA and P33.CD neighbor-bump: 2.06975 Ang V32.C and P33.CD other bump:3.1667 Ang R31.C and P33.CG neighbor-bump: 2.60444 Ang R31.C and V32.CB other bump:2.30651 Ang I25.CD1 and S30.N other bump:3.0923 Ang I25.CG1 and K29.C other bump:2.73088 Ang I25.CD1 and K29.C other bump:2.60412 Ang I25.CD1 and K29.CD other bump:2.69854 Ang I25.CD1 and K29.CB neighbor-bump: 2.31159 Ang L28.O and K29.CB neighbor-bump: 2.61099 Ang L28.C and K29.CB other bump:2.69679 Ang I25.CG1 and K29.CA other bump:2.31088 Ang I25.CD1 and K29.CA other bump:2.60867 Ang D23.OD1 and I25.CG2 other bump:2.7055 Ang V16.CG1 and R19.NH1 other bump:3.32833 Ang R5.NE and V18.CG2 other bump:2.97408 Ang R5.CZ and V18.CG2 neighbor-bump: 2.71034 Ang V16.CG1 and V17.O other bump:2.99822 Ang P6.CG and V16.CG1 other bump:3.14602 Ang P6.CD and V16.CG1 other bump:2.42386 Ang L10.N and K14.O neighbor-bump: 1.44106 Ang D12.O and T13.OG1 neighbor-bump: 2.18932 Ang D12.C and T13.OG1 neighbor-bump: 2.68979 Ang D12.C and T13.CB T0180 35 :NTSMSAYIRRIILN 1frn 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVVVR 1frn 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVGKE Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 1.76727 Ang V31.O and V32.CG2 neighbor-bump: 2.5181 Ang V31.C and V32.CG2 neighbor-bump: 1.97195 Ang V31.O and V32.CB neighbor-bump: 2.54838 Ang V31.C and V32.CB neighbor-bump: 2.72547 Ang K29.CB and P30.CA neighbor-bump: 2.11324 Ang K29.CG and P30.CA neighbor-bump: 3.27171 Ang K29.CD and P30.CA neighbor-bump: 2.22703 Ang K29.CG and P30.N neighbor-bump: 1.85411 Ang T28.O and K29.CB neighbor-bump: 2.34529 Ang T28.C and K29.CB other bump:2.99217 Ang R19.CD and L25.CD2 other bump:2.47639 Ang R19.NE and L25.CD2 other bump:1.51667 Ang R19.CZ and L25.CD2 other bump:0.201127 Ang R19.NH1 and L25.CD2 other bump:2.44048 Ang R19.NH2 and L25.CD2 other bump:2.70833 Ang R19.CD and L25.CD1 other bump:2.61797 Ang R19.NE and L25.CD1 other bump:2.53837 Ang R19.CZ and L25.CD1 other bump:2.51906 Ang R19.NH1 and L25.CD1 other bump:2.6267 Ang R19.NH1 and L25.CB other bump:2.1191 Ang M16.SD and R19.NH2 other bump:1.95123 Ang M16.CE and R19.NH2 other bump:2.24847 Ang M16.SD and R19.CZ other bump:2.87605 Ang M16.CE and R19.CZ other bump:1.86349 Ang M16.SD and R19.NE other bump:3.24139 Ang M16.CE and R19.NE Number of specific fragments= 3 total=92 Number of alignments=26 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/1b65A-T0180-fssp-global-adpstyle5.pw.a2m.gz # 1b65A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/1b65A-T0180-fssp-global-adpstyle5.pw.a2m.gz # found chain 1b65A in template set T0180 1 :MVGRRPGG 1b65A 9 :KPRARDLG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.43105 Ang R5.N and P6.CD self-bump: 1.37857 Ang P6.N and P6.CD other bump:2.87298 Ang G3.C and P6.CD other bump:2.39361 Ang G3.O and P6.CD other bump:2.81667 Ang G3.N and P6.CG other bump:3.27711 Ang G3.C and P6.CG other bump:2.29985 Ang V2.CG1 and P6.CB T0180 9 :GLKDTKPVVV 1b65A 28 :AITDVDGVGV Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 1.53517 Ang K7.CA and P8.CD neighbor-bump: 1.81954 Ang K7.O and P8.CD neighbor-bump: 0.80041 Ang K7.C and P8.CD self-bump: 1.32822 Ang P8.N and P8.CD neighbor-bump: 2.12718 Ang K7.CB and P8.CD neighbor-bump: 2.24208 Ang K7.CG and P8.CD neighbor-bump: 2.89402 Ang K7.CA and P8.CG neighbor-bump: 1.98251 Ang K7.O and P8.CG neighbor-bump: 1.87394 Ang K7.C and P8.CG self-bump: 2.17909 Ang P8.N and P8.CG neighbor-bump: 2.90055 Ang K7.CB and P8.CG neighbor-bump: 2.43588 Ang K7.CG and P8.CG neighbor-bump: 2.04345 Ang K7.O and P8.CB neighbor-bump: 2.31779 Ang K7.C and P8.CB T0180 19 :RLYPDEIEALKSRVPANTSMSA 1b65A 68 :SETPVPVYAGVHRFNGNGEMTG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.57474 Ang S22.C and A23.CB other bump:2.84281 Ang R14.CD and A17.CB neighbor-bump: 1.83791 Ang V15.CG2 and P16.CD neighbor-bump: 1.78272 Ang V15.C and P16.CD neighbor-bump: 2.4617 Ang V15.CB and P16.CD neighbor-bump: 3.11044 Ang V15.CG2 and P16.CG neighbor-bump: 2.55282 Ang V15.C and P16.CG other bump:2.23149 Ang R2.NH2 and D6.CB other bump:3.1746 Ang R2.CD and D6.CB other bump:2.23968 Ang R2.NE and D6.CB other bump:1.89754 Ang R2.CZ and D6.CB other bump:2.53161 Ang R2.NH1 and D6.CB other bump:3.03125 Ang R2.CZ and D6.CA other bump:3.23157 Ang R2.CZ and D6.N other bump:3.20251 Ang R2.CG and Y4.C other bump:2.85053 Ang R2.CD and Y4.C other bump:2.15309 Ang R2.CG and Y4.O other bump:1.70623 Ang R2.CD and Y4.O other bump:3.05474 Ang R2.CG and Y4.N T0180 41 :YIR 1b65A 118 :TVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0180 44 :RIILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1b65A 164 :RKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:3.15848 Ang R27.CA and P29.CD other bump:3.19846 Ang G26.C and P29.CD neighbor-bump: 2.45634 Ang R28.N and P29.CD other bump:2.21197 Ang G26.O and P29.CD other bump:2.01689 Ang R27.O and P29.CD other bump:2.13657 Ang R27.C and P29.CD other bump:3.27466 Ang G26.C and P29.CG other bump:2.04948 Ang G26.O and P29.CG neighbor-bump: 2.38767 Ang D11.CB and G12.N self-bump: 2.18948 Ang D11.CB and D11.C self-bump: 1.28459 Ang D11.CA and D11.CB other bump:2.30191 Ang I3.O and H7.CD2 T0180 83 :VRLYPDEIEALKSRVPANT 1b65A 259 :LPLMPHQLKRLARRASIGI Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.22933 Ang V16.O and N19.OD1 other bump:2.04302 Ang V16.CA and N19.OD1 other bump:2.87978 Ang V16.CG1 and N19.OD1 other bump:1.82136 Ang V16.C and N19.OD1 other bump:3.06394 Ang V16.CG1 and N19.ND2 other bump:2.43645 Ang V16.O and N19.CG other bump:2.64625 Ang V16.CA and N19.CG other bump:2.94016 Ang V16.C and N19.CG other bump:1.76121 Ang S14.O and P17.CD other bump:2.58754 Ang S14.C and P17.CD other bump:2.3586 Ang S14.O and P17.CG T0180 102 :SMS 1b65A 288 :SGD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0180 105 :AYIRRIILNHL 1b65A 349 :TPFDRLLVQAI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.45002 Ang I7.CG2 and L9.CD2 neighbor-bump: 3.19439 Ang I7.CG2 and I8.C neighbor-bump: 2.64302 Ang I7.CG2 and I8.N T0180 116 :ED 1b65A 373 :RL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 9 total=101 Number of alignments=27 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/1b65A-T0180-fssp-global-adpstyle1.pw.a2m.gz # 1b65A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/1b65A-T0180-fssp-global-adpstyle1.pw.a2m.gz # found chain 1b65A in template set T0180 1 :MVGRRPGG 1b65A 9 :KPRARDLG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.43105 Ang R5.N and P6.CD self-bump: 1.37857 Ang P6.N and P6.CD other bump:2.87298 Ang G3.C and P6.CD other bump:2.39361 Ang G3.O and P6.CD other bump:2.81667 Ang G3.N and P6.CG other bump:3.27711 Ang G3.C and P6.CG other bump:2.29985 Ang V2.CG1 and P6.CB T0180 9 :GLKDTKPVVVRLYPDEIEALKSRVPANTSMSAYIR 1b65A 58 :GVTAILPHMQSETPVPVYAGVHRFNGNGEMTGTHW Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.04426 Ang M31.CB and Y34.OH other bump:1.03665 Ang M31.CG and Y34.OH other bump:0.920615 Ang M31.SD and Y34.OH other bump:1.83326 Ang M31.CE and Y34.OH other bump:2.99958 Ang K22.CE and Y34.CZ other bump:2.26621 Ang M31.CB and Y34.CZ other bump:1.35411 Ang M31.CG and Y34.CZ other bump:1.40281 Ang M31.SD and Y34.CZ other bump:3.04274 Ang M31.CE and Y34.CZ other bump:2.71225 Ang K22.NZ and Y34.CE2 other bump:2.12317 Ang M31.O and Y34.CE2 other bump:2.43828 Ang M31.C and Y34.CE2 other bump:2.65186 Ang M31.CA and Y34.CE2 other bump:1.91466 Ang M31.CB and Y34.CE2 other bump:1.77801 Ang M31.CG and Y34.CE2 other bump:2.6922 Ang M31.SD and Y34.CE2 other bump:2.4604 Ang K22.CE and Y34.CE1 other bump:2.63571 Ang M31.CG and Y34.CE1 other bump:1.87254 Ang M31.SD and Y34.CE1 other bump:2.66573 Ang K22.CE and Y34.CD2 other bump:1.72466 Ang K22.NZ and Y34.CD2 other bump:2.06441 Ang M31.O and Y34.CD2 other bump:2.93141 Ang M31.C and Y34.CD2 other bump:1.90563 Ang K22.CE and Y34.CD1 other bump:2.32652 Ang K22.NZ and Y34.CD1 other bump:2.06602 Ang K22.CE and Y34.CG other bump:1.43653 Ang K22.NZ and Y34.CG other bump:2.86708 Ang K22.CE and Y34.CB other bump:1.97031 Ang K22.NZ and Y34.CB neighbor-bump: 2.57475 Ang S32.C and A33.CB other bump:2.84281 Ang R24.CD and A27.CB neighbor-bump: 1.83791 Ang V25.CG2 and P26.CD neighbor-bump: 1.78272 Ang V25.C and P26.CD neighbor-bump: 2.4617 Ang V25.CB and P26.CD neighbor-bump: 3.11044 Ang V25.CG2 and P26.CG neighbor-bump: 2.55282 Ang V25.C and P26.CG other bump:2.12931 Ang V9.CG1 and R12.NE other bump:2.01966 Ang V9.CG1 and R12.CD other bump:2.64993 Ang V9.CG1 and R12.CG T0180 44 :RIILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1b65A 164 :RKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:3.15848 Ang R27.CA and P29.CD other bump:3.19846 Ang G26.C and P29.CD neighbor-bump: 2.45634 Ang R28.N and P29.CD other bump:2.21197 Ang G26.O and P29.CD other bump:2.01689 Ang R27.O and P29.CD other bump:2.13657 Ang R27.C and P29.CD other bump:3.27466 Ang G26.C and P29.CG other bump:2.04948 Ang G26.O and P29.CG neighbor-bump: 2.38767 Ang D11.CB and G12.N self-bump: 2.18948 Ang D11.CB and D11.C self-bump: 1.28459 Ang D11.CA and D11.CB other bump:2.30191 Ang I3.O and H7.CD2 T0180 83 :VRLYPDEIEALKSR 1b65A 259 :LPLMPHQLKRLARR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 97 :VPANTSMSAYIRRIILNHLEDD 1b65A 341 :IAAEDMGGTPFDRLLVQAIDHE Fragment has 70 clashes (null) has 70 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues self-bump: 1.38861 Ang D23.CA and D23.CB other bump:2.77035 Ang A4.CB and H19.NE2 other bump:1.86979 Ang N5.O and H19.NE2 other bump:2.63059 Ang A4.C and H19.NE2 other bump:1.98224 Ang N5.N and H19.NE2 other bump:2.54877 Ang N5.CA and H19.NE2 other bump:2.24623 Ang N5.C and H19.NE2 other bump:1.3204 Ang N5.O and H19.CE1 other bump:2.67167 Ang A4.C and H19.CE1 other bump:1.6333 Ang N5.N and H19.CE1 other bump:1.39727 Ang N5.CA and H19.CE1 other bump:1.03709 Ang N5.C and H19.CE1 other bump:2.64621 Ang N5.CB and H19.CE1 other bump:2.29436 Ang T6.N and H19.CE1 other bump:2.36925 Ang N5.O and H19.ND1 other bump:2.71828 Ang A4.C and H19.ND1 other bump:2.16698 Ang N5.N and H19.ND1 other bump:1.54085 Ang N5.CA and H19.ND1 other bump:1.48149 Ang N5.C and H19.ND1 other bump:3.00623 Ang N5.CB and H19.ND1 other bump:3.193 Ang T6.CA and H19.ND1 other bump:2.01532 Ang T6.N and H19.ND1 other bump:2.45062 Ang A4.CB and H19.CD2 other bump:3.15258 Ang A4.CA and H19.CD2 other bump:2.6727 Ang A4.C and H19.CD2 other bump:2.64299 Ang N5.N and H19.CD2 other bump:3.17281 Ang N5.CA and H19.CD2 other bump:2.99281 Ang N5.C and H19.CD2 other bump:2.73093 Ang A4.C and H19.CG other bump:2.73882 Ang N5.N and H19.CG other bump:2.73773 Ang N5.CA and H19.CG other bump:2.68252 Ang N5.C and H19.CG other bump:3.13741 Ang T6.N and H19.CG other bump:3.0431 Ang M8.SD and L17.C other bump:2.42332 Ang M8.CE and L17.C other bump:2.45002 Ang I15.CG2 and L17.CD2 other bump:2.32466 Ang M8.CE and L17.CG other bump:1.66293 Ang M8.CE and L17.CB other bump:2.25291 Ang M8.SD and L17.CA other bump:1.55384 Ang M8.CE and L17.CA other bump:0.786214 Ang M8.SD and L17.N other bump:1.28004 Ang M8.CE and L17.N other bump:2.42106 Ang M8.CG and L17.N neighbor-bump: 3.19439 Ang I15.CG2 and I16.C other bump:1.13216 Ang M8.SD and I16.C other bump:2.58647 Ang M8.CE and I16.C other bump:2.7412 Ang M8.CG and I16.C other bump:2.33301 Ang M8.SD and I16.O other bump:2.77334 Ang S9.CB and I16.CD1 other bump:1.8703 Ang S9.OG and I16.CD1 other bump:2.94669 Ang S9.OG and I16.CG2 other bump:2.91688 Ang M8.SD and I16.CG1 other bump:2.58749 Ang M8.CG and I16.CG1 other bump:1.89792 Ang S9.OG and I16.CG1 other bump:2.78911 Ang M8.SD and I16.CB other bump:2.85796 Ang M8.CG and I16.CB other bump:1.86625 Ang S9.OG and I16.CB other bump:1.73045 Ang M8.SD and I16.CA other bump:3.06936 Ang M8.CB and I16.CA other bump:2.22146 Ang M8.CG and I16.CA neighbor-bump: 2.64302 Ang I15.CG2 and I16.N other bump:2.76447 Ang M8.SD and I16.N other bump:2.70887 Ang M8.CB and I15.O neighbor-bump: 2.32193 Ang S7.O and M8.CE neighbor-bump: 2.69767 Ang S7.O and M8.SD neighbor-bump: 1.84885 Ang S7.O and M8.CG neighbor-bump: 2.66944 Ang S7.C and M8.CG neighbor-bump: 1.94332 Ang S7.O and M8.CB neighbor-bump: 2.46969 Ang S7.C and M8.CB neighbor-bump: 2.51976 Ang V2.N and P3.CD Number of specific fragments= 5 total=106 Number of alignments=28 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/T0180-1d2zA-local-adpstyle5.pw.a2m.gz # 1d2zA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/T0180-1d2zA-local-adpstyle5.pw.a2m.gz # found chain 1d2zA in template set T0180 15 :PVVVRLYPDEIEALKSRVPANTSMSA 1d2zA 59 :ATAVKLYPDQVEQISSQKQRGRSASN Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.16438 Ang L15.CD2 and G28.CA other bump:2.63278 Ang R18.C and M25.CE other bump:1.86385 Ang V19.N and M25.CE other bump:2.33088 Ang V19.CA and M25.CE other bump:2.61811 Ang V19.CB and M25.CE other bump:2.05864 Ang V19.CG2 and M25.CE other bump:2.07995 Ang L15.O and M25.SD other bump:2.72964 Ang V19.N and M25.SD other bump:2.809 Ang V19.CA and M25.SD other bump:2.06135 Ang V19.CB and M25.SD other bump:1.13241 Ang V19.CG2 and M25.SD other bump:2.45804 Ang V19.CB and M25.CG other bump:2.97937 Ang V19.CG1 and M25.CG other bump:1.07333 Ang V19.CG2 and M25.CG other bump:2.49328 Ang V19.CG2 and M25.CB other bump:3.15242 Ang V19.CG2 and M25.CA other bump:2.97236 Ang R18.CA and T23.OG1 other bump:1.91757 Ang R18.O and T23.OG1 other bump:2.3613 Ang R18.C and T23.OG1 other bump:2.84867 Ang R18.CZ and T23.CG2 other bump:1.94336 Ang R18.NH2 and T23.CG2 other bump:3.07274 Ang R18.NH2 and T23.CB other bump:2.52644 Ang L7.CD2 and E11.OE1 Number of specific fragments= 1 total=107 Number of alignments=29 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/T0180-1d2zA-local-adpstyle1.pw.a2m.gz # 1d2zA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/T0180-1d2zA-local-adpstyle1.pw.a2m.gz # found chain 1d2zA in template set T0180 18 :VRLYPDEIEALKSRVPANTSMSAYIRRI 1d2zA 62 :VKLYPDQVEQISSQKQRGRSASNEFLNI Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.76327 Ang Y25.CE2 and I29.CD1 other bump:3.30128 Ang E8.CD and I29.CG2 other bump:2.54443 Ang L12.CD1 and I26.CG1 other bump:2.7255 Ang L12.CD2 and I26.N other bump:2.71472 Ang L12.CD2 and Y25.C other bump:2.56891 Ang A11.CB and Y25.OH other bump:2.95815 Ang A11.CB and Y25.CE2 other bump:3.00865 Ang A11.C and Y25.CE2 other bump:3.0777 Ang L12.N and Y25.CE2 other bump:3.0524 Ang L12.CA and Y25.CD2 other bump:2.79584 Ang L12.CG and Y25.CD2 other bump:2.11267 Ang L12.CD2 and Y25.CD2 other bump:2.61138 Ang L12.CD2 and Y25.CG other bump:2.48201 Ang L12.CD2 and Y25.CB other bump:3.16438 Ang L12.CD2 and Y25.CA other bump:2.63278 Ang R15.C and M22.CE other bump:1.86385 Ang V16.N and M22.CE other bump:2.33088 Ang V16.CA and M22.CE other bump:2.61811 Ang V16.CB and M22.CE other bump:2.05864 Ang V16.CG2 and M22.CE other bump:2.07995 Ang L12.O and M22.SD other bump:2.72964 Ang V16.N and M22.SD other bump:2.809 Ang V16.CA and M22.SD other bump:2.06135 Ang V16.CB and M22.SD other bump:1.13241 Ang V16.CG2 and M22.SD other bump:2.45804 Ang V16.CB and M22.CG other bump:2.97937 Ang V16.CG1 and M22.CG other bump:1.07333 Ang V16.CG2 and M22.CG other bump:2.49328 Ang V16.CG2 and M22.CB other bump:3.15242 Ang V16.CG2 and M22.CA other bump:2.97236 Ang R15.CA and T20.OG1 other bump:1.91757 Ang R15.O and T20.OG1 other bump:2.3613 Ang R15.C and T20.OG1 other bump:2.84867 Ang R15.CZ and T20.CG2 other bump:1.94336 Ang R15.NH2 and T20.CG2 other bump:3.07274 Ang R15.NH2 and T20.CB other bump:2.52644 Ang L4.CD2 and E8.OE1 Number of specific fragments= 1 total=108 Number of alignments=30 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ezvD/T0180-1ezvD-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1ezvD read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ezvD/T0180-1ezvD-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1ezvD in template set T0180 28 :LKSRVPANTSMSAYIRRII 1ezvD 177 :LSLIVKARHGGCDYIFSLL Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.08913 Ang Y15.CZ and I19.CD1 other bump:2.49762 Ang Y15.OH and I19.CD1 other bump:2.54953 Ang Y15.CE1 and I19.CD1 other bump:2.46176 Ang Y15.CE2 and I19.CD1 other bump:2.85362 Ang S11.CB and Y15.CB self-bump: 2.20547 Ang M12.CB and M12.C other bump:1.98743 Ang V6.CG1 and M12.CE other bump:2.44066 Ang V6.O and M12.CG self-bump: 1.30072 Ang M12.CA and M12.CB neighbor-bump: 2.09153 Ang T10.O and S11.CB neighbor-bump: 2.52585 Ang T10.C and S11.CB other bump:2.05854 Ang L2.CD2 and R5.NH1 other bump:2.06367 Ang L2.CD1 and R5.NH1 other bump:2.48518 Ang L2.CG and R5.NH1 other bump:1.83731 Ang L2.CD2 and R5.CZ other bump:2.99101 Ang L2.CG and R5.CZ other bump:1.44973 Ang L2.CD2 and R5.NE other bump:2.93814 Ang L2.CG and R5.NE other bump:1.36324 Ang L2.CD2 and R5.CD other bump:2.41082 Ang L2.CG and R5.CD other bump:2.50589 Ang L2.CA and R5.CD other bump:2.61776 Ang L2.CB and R5.CD other bump:2.90217 Ang L2.CA and R5.CG T0180 48 :NHLEDDGGGGGGGGGGGGMVGRRPGGGLKD 1ezvD 196 :TGYPDEPPAGVALPPGSNYNPYFPGGSIAM Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.9562 Ang R24.NH2 and L29.C other bump:2.18089 Ang R24.CG and L29.CD2 other bump:1.58969 Ang R24.NE and L29.CD2 other bump:2.57177 Ang R24.CZ and L29.CD2 other bump:2.94904 Ang R24.NH1 and L29.CD2 other bump:3.07946 Ang R24.CB and L29.CD2 other bump:0.688222 Ang R24.CD and L29.CD2 other bump:2.42283 Ang R24.NE and L29.CD1 other bump:2.62865 Ang R24.CB and L29.CD1 other bump:2.44276 Ang R24.CD and L29.CD1 other bump:2.65557 Ang R24.CG and L29.CG other bump:0.97496 Ang R24.NE and L29.CG other bump:2.8728 Ang R24.CB and L29.CG other bump:1.53655 Ang R24.CD and L29.CG other bump:1.80801 Ang R24.NE and L29.CB other bump:2.42815 Ang R24.CZ and L29.CB other bump:2.6413 Ang R24.NH2 and L29.CB other bump:2.79241 Ang R24.CD and L29.CB other bump:2.22751 Ang R24.NE and L29.CA other bump:1.88489 Ang R24.CZ and L29.CA other bump:1.75329 Ang R24.NH2 and L29.CA other bump:2.54679 Ang R24.NE and L29.N other bump:1.72669 Ang R24.CZ and L29.N other bump:2.71906 Ang R24.NH1 and L29.N other bump:0.57874 Ang R24.NH2 and L29.N other bump:2.96952 Ang R24.NE and G28.C other bump:1.72067 Ang R24.CZ and G28.C other bump:2.11985 Ang R24.NH1 and G28.C other bump:0.946337 Ang R24.NH2 and G28.C other bump:1.87314 Ang R24.CZ and G28.O other bump:1.41857 Ang R24.NH1 and G28.O other bump:1.89521 Ang R24.NH2 and G28.O other bump:2.96499 Ang R24.CZ and G28.CA other bump:2.11099 Ang R24.NH2 and G28.CA other bump:2.87197 Ang L4.CD2 and V21.CG2 other bump:2.06638 Ang H3.CD2 and V21.CG1 other bump:2.57378 Ang H3.NE2 and V21.CG1 T0180 83 :VRLYPDEIEALKSRVPANTSMSAYIRRIILNHLED 1ezvD 226 :ARVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAE Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:3.0542 Ang Y25.CE2 and I29.CD1 other bump:2.5086 Ang Y5.CD2 and R27.NH2 other bump:1.19264 Ang Y5.CE2 and R27.NH2 other bump:1.85197 Ang Y5.CZ and R27.NH2 other bump:2.13565 Ang Y5.OH and R27.NH2 other bump:2.23501 Ang Y5.CE2 and R27.NH1 other bump:2.22255 Ang Y5.CE1 and R27.NH1 other bump:1.59073 Ang Y5.CZ and R27.NH1 other bump:1.87569 Ang Y5.OH and R27.NH1 other bump:1.95991 Ang Y5.CE2 and R27.CZ other bump:2.98321 Ang Y5.CE1 and R27.CZ other bump:1.75706 Ang Y5.CZ and R27.CZ other bump:1.56076 Ang Y5.OH and R27.CZ other bump:2.92438 Ang Y5.CZ and R27.NE other bump:2.11465 Ang Y5.OH and R27.NE other bump:2.89393 Ang Y5.OH and R27.CD other bump:1.93188 Ang P17.O and M22.CE other bump:2.44039 Ang P17.C and M22.CE other bump:2.73459 Ang A18.N and M22.CE other bump:2.55387 Ang A18.CA and M22.CE other bump:2.15451 Ang P17.O and M22.SD other bump:2.77607 Ang V16.CG2 and M22.SD other bump:2.71861 Ang N19.OD1 and M22.CB other bump:2.29397 Ang L12.CD1 and V16.CG1 other bump:2.97764 Ang L12.CB and V16.CG1 other bump:2.81208 Ang L12.CG and V16.CG1 neighbor-bump: 2.28427 Ang S14.O and R15.CG neighbor-bump: 2.49797 Ang S14.C and R15.CG neighbor-bump: 2.21991 Ang S14.O and R15.CB neighbor-bump: 2.56419 Ang S14.C and R15.CB neighbor-bump: 2.01508 Ang Y5.C and P6.CD Number of specific fragments= 3 total=111 Number of alignments=31 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ezvD/T0180-1ezvD-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1ezvD read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ezvD/T0180-1ezvD-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1ezvD in template set T0180 46 :ILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDT 1ezvD 194 :LLTGYPDEPPAGVALPPGSNYNPYFPGGSIAMA Fragment has 73 clashes (null) has 73 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.35017 Ang D33.OD1 and T34.O other bump:2.9562 Ang R26.NH2 and L31.C other bump:2.18089 Ang R26.CG and L31.CD2 other bump:1.58969 Ang R26.NE and L31.CD2 other bump:2.57177 Ang R26.CZ and L31.CD2 other bump:2.94904 Ang R26.NH1 and L31.CD2 other bump:3.07946 Ang R26.CB and L31.CD2 other bump:0.688222 Ang R26.CD and L31.CD2 other bump:2.42283 Ang R26.NE and L31.CD1 other bump:2.62865 Ang R26.CB and L31.CD1 other bump:2.44276 Ang R26.CD and L31.CD1 other bump:2.65557 Ang R26.CG and L31.CG other bump:0.97496 Ang R26.NE and L31.CG other bump:2.8728 Ang R26.CB and L31.CG other bump:1.53655 Ang R26.CD and L31.CG other bump:1.80801 Ang R26.NE and L31.CB other bump:2.42815 Ang R26.CZ and L31.CB other bump:2.6413 Ang R26.NH2 and L31.CB other bump:2.79241 Ang R26.CD and L31.CB other bump:2.22751 Ang R26.NE and L31.CA other bump:1.88489 Ang R26.CZ and L31.CA other bump:1.75329 Ang R26.NH2 and L31.CA other bump:2.54679 Ang R26.NE and L31.N other bump:1.72669 Ang R26.CZ and L31.N other bump:2.71906 Ang R26.NH1 and L31.N other bump:0.57874 Ang R26.NH2 and L31.N other bump:2.96952 Ang R26.NE and G30.C other bump:1.72067 Ang R26.CZ and G30.C other bump:2.11985 Ang R26.NH1 and G30.C other bump:0.946337 Ang R26.NH2 and G30.C other bump:1.87314 Ang R26.CZ and G30.O other bump:1.41857 Ang R26.NH1 and G30.O other bump:1.89521 Ang R26.NH2 and G30.O other bump:2.96499 Ang R26.CZ and G30.CA other bump:2.11099 Ang R26.NH2 and G30.CA other bump:2.37755 Ang G1.C and R25.NH1 other bump:3.09285 Ang G1.C and R25.CD other bump:2.87197 Ang L6.CD2 and V23.CG2 other bump:2.39517 Ang I2.CD1 and V23.CG1 other bump:2.06638 Ang H5.CD2 and V23.CG1 other bump:2.57378 Ang H5.NE2 and V23.CG1 other bump:1.71408 Ang I2.CD1 and H5.NE2 other bump:1.99657 Ang I2.CA and H5.NE2 other bump:2.3592 Ang I2.CB and H5.NE2 other bump:1.97067 Ang I2.CG1 and H5.NE2 other bump:1.99642 Ang I2.O and H5.NE2 other bump:2.24837 Ang I2.C and H5.NE2 other bump:3.07889 Ang G1.C and H5.CE1 other bump:2.83659 Ang I2.CD1 and H5.CE1 other bump:1.20329 Ang I2.CA and H5.CE1 other bump:2.09331 Ang I2.CB and H5.CE1 other bump:2.38572 Ang I2.CG1 and H5.CE1 other bump:1.26553 Ang I2.O and H5.CE1 other bump:0.945856 Ang I2.C and H5.CE1 other bump:2.26229 Ang L3.N and H5.CE1 other bump:2.48107 Ang I2.N and H5.CE1 other bump:1.76887 Ang G1.O and H5.ND1 other bump:2.31264 Ang G1.C and H5.ND1 other bump:1.78683 Ang I2.CA and H5.ND1 other bump:1.54354 Ang I2.O and H5.ND1 other bump:1.42982 Ang I2.C and H5.ND1 other bump:2.449 Ang L3.N and H5.ND1 other bump:2.34003 Ang I2.N and H5.ND1 other bump:2.51837 Ang I2.CD1 and H5.CD2 other bump:2.7561 Ang I2.CA and H5.CD2 other bump:2.54864 Ang I2.O and H5.CD2 other bump:3.02212 Ang I2.C and H5.CD2 other bump:2.06965 Ang G1.O and H5.CG other bump:2.92716 Ang G1.C and H5.CG other bump:2.66993 Ang I2.CA and H5.CG other bump:2.34 Ang I2.O and H5.CG other bump:2.69214 Ang I2.C and H5.CG other bump:2.19861 Ang G1.O and H5.CB T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHLEDD 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAEP Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.81313 Ang H32.C and D36.OD1 other bump:1.768 Ang H32.O and D36.OD1 self-bump: 1.39851 Ang D36.CA and D36.CB other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:2.44039 Ang P16.C and M21.CE other bump:1.93188 Ang P16.O and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 2 total=113 Number of alignments=32 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/T0180-1b65A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1b65A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/T0180-1b65A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1b65A in template set T0180 9 :GLKDTKPVVVRLYPDEIEALKSRVPA 1b65A 134 :DFLWIMPVVAETYDGALNDINGFPVT Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.19666 Ang P15.CD and L21.CD2 other bump:2.00821 Ang D16.CG and L21.CD1 other bump:1.25805 Ang D16.OD2 and L21.CD1 other bump:2.27597 Ang D16.N and L21.CD1 other bump:2.48569 Ang D16.CA and L21.CD1 other bump:2.67188 Ang D16.CB and L21.CD1 other bump:2.06313 Ang D16.OD2 and L21.CG other bump:3.22208 Ang D16.CA and L21.CG other bump:2.19408 Ang D16.OD2 and L21.CB other bump:2.18006 Ang Y14.CD1 and D16.OD1 other bump:0.85972 Ang Y14.CE1 and D16.OD1 other bump:2.06692 Ang Y14.OH and D16.OD1 other bump:2.83748 Ang Y14.CE2 and D16.OD1 other bump:1.55823 Ang Y14.CZ and D16.OD1 other bump:2.76531 Ang Y14.CD1 and D16.CG other bump:1.79947 Ang Y14.CE1 and D16.CG other bump:2.36817 Ang Y14.OH and D16.CG other bump:2.76042 Ang Y14.CE1 and D16.CB other bump:2.10831 Ang Y14.OH and D16.CB other bump:2.66473 Ang Y14.CE2 and D16.CB other bump:2.11217 Ang Y14.CZ and D16.CB T0180 39 :SAYIRRII 1b65A 160 :EADVRKAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0180 48 :NHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1b65A 168 :DNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVV Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:3.19846 Ang G22.C and P25.CD neighbor-bump: 2.45634 Ang R24.N and P25.CD other bump:2.21197 Ang G22.O and P25.CD other bump:3.15848 Ang R23.CA and P25.CD other bump:2.01689 Ang R23.O and P25.CD other bump:2.13657 Ang R23.C and P25.CD other bump:3.27466 Ang G22.C and P25.CG other bump:2.04948 Ang G22.O and P25.CG neighbor-bump: 2.38767 Ang D7.CB and G8.N self-bump: 2.18948 Ang D7.CB and D7.C self-bump: 1.28459 Ang D7.CA and D7.CB Number of specific fragments= 3 total=116 Number of alignments=33 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/T0180-1b65A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1b65A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/T0180-1b65A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1b65A in template set T0180 15 :PVVVRLYPDEIEALKSRVPANTSM 1b65A 140 :PVVAETYDGALNDINGFPVTEADV Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues self-bump: 1.3922 Ang N22.CA and N22.CB other bump:3.19666 Ang P9.CD and L15.CD2 other bump:2.00821 Ang D10.CG and L15.CD1 other bump:1.25805 Ang D10.OD2 and L15.CD1 other bump:2.67188 Ang D10.CB and L15.CD1 other bump:2.27597 Ang D10.N and L15.CD1 other bump:2.48569 Ang D10.CA and L15.CD1 other bump:2.06313 Ang D10.OD2 and L15.CG other bump:3.22208 Ang D10.CA and L15.CG other bump:2.19408 Ang D10.OD2 and L15.CB other bump:2.06692 Ang Y8.OH and D10.OD1 other bump:2.18006 Ang Y8.CD1 and D10.OD1 other bump:0.85972 Ang Y8.CE1 and D10.OD1 other bump:1.55823 Ang Y8.CZ and D10.OD1 other bump:2.83748 Ang Y8.CE2 and D10.OD1 other bump:2.36817 Ang Y8.OH and D10.CG other bump:2.76531 Ang Y8.CD1 and D10.CG other bump:1.79947 Ang Y8.CE1 and D10.CG other bump:2.10831 Ang Y8.OH and D10.CB other bump:2.76042 Ang Y8.CE1 and D10.CB other bump:2.11217 Ang Y8.CZ and D10.CB other bump:2.66473 Ang Y8.CE2 and D10.CB T0180 44 :RIILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1b65A 164 :RKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:3.15848 Ang R27.CA and P29.CD other bump:3.19846 Ang G26.C and P29.CD neighbor-bump: 2.45634 Ang R28.N and P29.CD other bump:2.21197 Ang G26.O and P29.CD other bump:2.01689 Ang R27.O and P29.CD other bump:2.13657 Ang R27.C and P29.CD other bump:3.27466 Ang G26.C and P29.CG other bump:2.04948 Ang G26.O and P29.CG neighbor-bump: 2.38767 Ang D11.CB and G12.N self-bump: 2.18948 Ang D11.CB and D11.C self-bump: 1.28459 Ang D11.CA and D11.CB other bump:2.30191 Ang I3.O and H7.CD2 Number of specific fragments= 2 total=118 Number of alignments=34 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ht3A/T0180-1ht3A-local-adpstyle5.pw.a2m.gz # 1ht3A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ht3A/T0180-1ht3A-local-adpstyle5.pw.a2m.gz # adding 1ht3A to template set 1ht3A:# found chain 1ht3A in template set T0180 44 :RIILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1ht3A 54 :QMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVVKKTQLFGVKVLDDNGSGQYSTIIAG Fragment has 46 clashes (null) has 46 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 59 residues other bump:1.40922 Ang V41.CG1 and N58.OD1 other bump:2.68115 Ang V41.CB and N58.OD1 other bump:2.36873 Ang L43.CD1 and N58.ND2 other bump:3.11227 Ang V41.CG1 and N58.ND2 other bump:2.35659 Ang L43.CD1 and N58.CG other bump:2.52196 Ang V41.CG1 and N58.CG other bump:2.49314 Ang L43.CG and N58.CG other bump:2.84369 Ang L43.CD2 and N58.CG other bump:1.88267 Ang L43.CD1 and N58.CB other bump:2.3115 Ang L43.CG and N58.CB other bump:2.22096 Ang L43.CD2 and N58.CB other bump:1.28765 Ang K52.O and P56.CD other bump:3.30765 Ang S53.CA and P56.CD other bump:2.49783 Ang K52.C and P56.CD other bump:2.98402 Ang S53.C and P56.CD other bump:2.18116 Ang K52.O and P56.CG other bump:3.158 Ang S53.CA and P56.CG other bump:3.1339 Ang K52.C and P56.CG other bump:3.15544 Ang S53.C and P56.CG other bump:3.0985 Ang Y44.CD2 and A50.CB other bump:2.50111 Ang L43.O and A50.CB other bump:2.6714 Ang P45.CG and E49.C other bump:2.4361 Ang P45.CD and E49.C other bump:1.78142 Ang P45.CG and E49.O other bump:1.24207 Ang P45.CD and E49.O other bump:3.11874 Ang P45.CG and E49.CA other bump:2.77358 Ang P45.CG and E49.N neighbor-bump: 2.86704 Ang E47.C and I48.CG1 neighbor-bump: 2.00523 Ang E47.O and I48.CB neighbor-bump: 2.40479 Ang E47.C and I48.CB other bump:1.9513 Ang R42.NH2 and D46.OD1 other bump:2.64678 Ang R42.NH2 and D46.N other bump:3.14344 Ang I3.CD1 and V40.CG1 other bump:3.05101 Ang I3.CD1 and V40.CB other bump:2.30861 Ang I4.CG1 and V39.CG1 other bump:2.94763 Ang I4.CB and V39.CG1 neighbor-bump: 2.52525 Ang R28.CB and P29.CD other bump:2.59389 Ang G23.CA and R27.CD other bump:2.69162 Ang G23.CA and R27.CG other bump:2.83757 Ang D10.CG and G12.N other bump:2.10311 Ang D10.OD1 and G12.N other bump:2.65582 Ang N6.CG and D11.CB other bump:1.71344 Ang N6.OD1 and D11.CB other bump:2.67011 Ang N6.CG and D11.CA other bump:2.01513 Ang N6.OD1 and D11.CA neighbor-bump: 2.20759 Ang D10.OD1 and D11.N Number of specific fragments= 1 total=119 Number of alignments=35 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ht3A/T0180-1ht3A-local-adpstyle1.pw.a2m.gz # 1ht3A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ht3A/T0180-1ht3A-local-adpstyle1.pw.a2m.gz # found chain 1ht3A in template set T0180 56 :GGGGGGGGGGMVGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPANTSMSA 1ht3A 66 :GNGHGTHCAGTVGSRTYGVVKKTQLFGVKVLDDNGSGQYSTIIAGMDFVA Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:2.99609 Ang V29.CG1 and M49.CE other bump:1.74491 Ang L31.CD2 and N46.OD1 other bump:2.26448 Ang L31.CD1 and N46.ND2 other bump:2.60104 Ang L31.CA and N46.ND2 other bump:2.06107 Ang L31.CB and N46.ND2 other bump:0.901459 Ang L31.CG and N46.ND2 other bump:1.09655 Ang L31.CD2 and N46.ND2 other bump:2.45503 Ang L31.CD1 and N46.CG other bump:1.81158 Ang L31.CG and N46.CG other bump:1.07697 Ang L31.CD2 and N46.CG other bump:1.93841 Ang L31.CD1 and N46.CB other bump:2.34921 Ang L31.CG and N46.CB other bump:2.24612 Ang L31.CD2 and N46.CB other bump:1.28765 Ang K40.O and P44.CD other bump:3.30765 Ang S41.CA and P44.CD other bump:2.49783 Ang K40.C and P44.CD other bump:2.98402 Ang S41.C and P44.CD other bump:2.18116 Ang K40.O and P44.CG other bump:3.158 Ang S41.CA and P44.CG other bump:3.1339 Ang K40.C and P44.CG other bump:3.15544 Ang S41.C and P44.CG other bump:3.0985 Ang Y32.CD2 and A38.CB other bump:2.50111 Ang L31.O and A38.CB other bump:2.6714 Ang P33.CG and E37.C other bump:2.4361 Ang P33.CD and E37.C other bump:1.78142 Ang P33.CG and E37.O other bump:1.24207 Ang P33.CD and E37.O other bump:3.11874 Ang P33.CG and E37.CA other bump:2.77358 Ang P33.CG and E37.N neighbor-bump: 2.86704 Ang E35.C and I36.CG1 neighbor-bump: 2.00523 Ang E35.O and I36.CB neighbor-bump: 2.40479 Ang E35.C and I36.CB other bump:1.9513 Ang R30.NH2 and D34.OD1 other bump:2.64678 Ang R30.NH2 and D34.N neighbor-bump: 2.52525 Ang R16.CB and P17.CD other bump:2.59389 Ang G11.CA and R15.CD other bump:2.69162 Ang G11.CA and R15.CG Number of specific fragments= 1 total=120 Number of alignments=36 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ezvD/T0180-1ezvD-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1ezvD read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ezvD/T0180-1ezvD-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1ezvD in template set T0180 30 :SRVPANTSMSAYIRRI 1ezvD 179 :LIVKARHGGCDYIFSL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.54953 Ang Y13.CE1 and I17.CD1 other bump:2.46176 Ang Y13.CE2 and I17.CD1 other bump:2.08913 Ang Y13.CZ and I17.CD1 other bump:2.49762 Ang Y13.OH and I17.CD1 other bump:2.85362 Ang S9.CB and Y13.CB self-bump: 2.20547 Ang M10.CB and M10.C other bump:1.98743 Ang V4.CG1 and M10.CE other bump:2.44066 Ang V4.O and M10.CG self-bump: 1.30072 Ang M10.CA and M10.CB neighbor-bump: 2.09153 Ang T8.O and S9.CB neighbor-bump: 2.52585 Ang T8.C and S9.CB T0180 47 :LNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDT 1ezvD 195 :LTGYPDEPPAGVALPPGSNYNPYFPGGSIAMA Fragment has 50 clashes (null) has 50 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.35017 Ang D32.OD1 and T33.O other bump:2.9562 Ang R25.NH2 and L30.C other bump:2.18089 Ang R25.CG and L30.CD2 other bump:1.58969 Ang R25.NE and L30.CD2 other bump:2.57177 Ang R25.CZ and L30.CD2 other bump:2.94904 Ang R25.NH1 and L30.CD2 other bump:3.07946 Ang R25.CB and L30.CD2 other bump:0.688222 Ang R25.CD and L30.CD2 other bump:2.42283 Ang R25.NE and L30.CD1 other bump:2.62865 Ang R25.CB and L30.CD1 other bump:2.44276 Ang R25.CD and L30.CD1 other bump:2.65557 Ang R25.CG and L30.CG other bump:0.97496 Ang R25.NE and L30.CG other bump:2.8728 Ang R25.CB and L30.CG other bump:1.53655 Ang R25.CD and L30.CG other bump:1.80801 Ang R25.NE and L30.CB other bump:2.42815 Ang R25.CZ and L30.CB other bump:2.6413 Ang R25.NH2 and L30.CB other bump:2.79241 Ang R25.CD and L30.CB other bump:2.22751 Ang R25.NE and L30.CA other bump:1.88489 Ang R25.CZ and L30.CA other bump:1.75329 Ang R25.NH2 and L30.CA other bump:2.54679 Ang R25.NE and L30.N other bump:1.72669 Ang R25.CZ and L30.N other bump:2.71906 Ang R25.NH1 and L30.N other bump:0.57874 Ang R25.NH2 and L30.N other bump:2.96952 Ang R25.NE and G29.C other bump:1.72067 Ang R25.CZ and G29.C other bump:2.11985 Ang R25.NH1 and G29.C other bump:0.946337 Ang R25.NH2 and G29.C other bump:1.87314 Ang R25.CZ and G29.O other bump:1.41857 Ang R25.NH1 and G29.O other bump:1.89521 Ang R25.NH2 and G29.O other bump:2.96499 Ang R25.CZ and G29.CA other bump:2.11099 Ang R25.NH2 and G29.CA other bump:2.87197 Ang L5.CD2 and V22.CG2 other bump:2.06638 Ang H4.CD2 and V22.CG1 other bump:2.57378 Ang H4.NE2 and V22.CG1 other bump:1.99642 Ang G1.O and H4.NE2 other bump:2.24837 Ang G1.C and H4.NE2 other bump:1.26553 Ang G1.O and H4.CE1 other bump:0.945856 Ang G1.C and H4.CE1 other bump:2.26229 Ang L2.N and H4.CE1 other bump:1.54354 Ang G1.O and H4.ND1 other bump:1.42982 Ang G1.C and H4.ND1 other bump:2.449 Ang L2.N and H4.ND1 other bump:2.54864 Ang G1.O and H4.CD2 other bump:3.02212 Ang G1.C and H4.CD2 other bump:2.34 Ang G1.O and H4.CG other bump:2.69214 Ang G1.C and H4.CG T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHL 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNWC Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:1.93188 Ang P16.O and M21.CE other bump:2.44039 Ang P16.C and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 3 total=123 Number of alignments=37 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ezvD/T0180-1ezvD-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1ezvD read from /projects/compbio/experiments/casp5/t0180/t0180-double/1ezvD/T0180-1ezvD-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1ezvD in template set T0180 46 :ILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDT 1ezvD 194 :LLTGYPDEPPAGVALPPGSNYNPYFPGGSIAMA Fragment has 73 clashes (null) has 73 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.35017 Ang D33.OD1 and T34.O other bump:2.9562 Ang R26.NH2 and L31.C other bump:2.18089 Ang R26.CG and L31.CD2 other bump:1.58969 Ang R26.NE and L31.CD2 other bump:2.57177 Ang R26.CZ and L31.CD2 other bump:2.94904 Ang R26.NH1 and L31.CD2 other bump:3.07946 Ang R26.CB and L31.CD2 other bump:0.688222 Ang R26.CD and L31.CD2 other bump:2.42283 Ang R26.NE and L31.CD1 other bump:2.62865 Ang R26.CB and L31.CD1 other bump:2.44276 Ang R26.CD and L31.CD1 other bump:2.65557 Ang R26.CG and L31.CG other bump:0.97496 Ang R26.NE and L31.CG other bump:2.8728 Ang R26.CB and L31.CG other bump:1.53655 Ang R26.CD and L31.CG other bump:1.80801 Ang R26.NE and L31.CB other bump:2.42815 Ang R26.CZ and L31.CB other bump:2.6413 Ang R26.NH2 and L31.CB other bump:2.79241 Ang R26.CD and L31.CB other bump:2.22751 Ang R26.NE and L31.CA other bump:1.88489 Ang R26.CZ and L31.CA other bump:1.75329 Ang R26.NH2 and L31.CA other bump:2.54679 Ang R26.NE and L31.N other bump:1.72669 Ang R26.CZ and L31.N other bump:2.71906 Ang R26.NH1 and L31.N other bump:0.57874 Ang R26.NH2 and L31.N other bump:2.96952 Ang R26.NE and G30.C other bump:1.72067 Ang R26.CZ and G30.C other bump:2.11985 Ang R26.NH1 and G30.C other bump:0.946337 Ang R26.NH2 and G30.C other bump:1.87314 Ang R26.CZ and G30.O other bump:1.41857 Ang R26.NH1 and G30.O other bump:1.89521 Ang R26.NH2 and G30.O other bump:2.96499 Ang R26.CZ and G30.CA other bump:2.11099 Ang R26.NH2 and G30.CA other bump:2.37755 Ang G1.C and R25.NH1 other bump:3.09285 Ang G1.C and R25.CD other bump:2.87197 Ang L6.CD2 and V23.CG2 other bump:2.39517 Ang I2.CD1 and V23.CG1 other bump:2.06638 Ang H5.CD2 and V23.CG1 other bump:2.57378 Ang H5.NE2 and V23.CG1 other bump:1.71408 Ang I2.CD1 and H5.NE2 other bump:1.99657 Ang I2.CA and H5.NE2 other bump:2.3592 Ang I2.CB and H5.NE2 other bump:1.97067 Ang I2.CG1 and H5.NE2 other bump:1.99642 Ang I2.O and H5.NE2 other bump:2.24837 Ang I2.C and H5.NE2 other bump:3.07889 Ang G1.C and H5.CE1 other bump:2.83659 Ang I2.CD1 and H5.CE1 other bump:1.20329 Ang I2.CA and H5.CE1 other bump:2.09331 Ang I2.CB and H5.CE1 other bump:2.38572 Ang I2.CG1 and H5.CE1 other bump:1.26553 Ang I2.O and H5.CE1 other bump:0.945856 Ang I2.C and H5.CE1 other bump:2.26229 Ang L3.N and H5.CE1 other bump:2.48107 Ang I2.N and H5.CE1 other bump:1.76887 Ang G1.O and H5.ND1 other bump:2.31264 Ang G1.C and H5.ND1 other bump:1.78683 Ang I2.CA and H5.ND1 other bump:1.54354 Ang I2.O and H5.ND1 other bump:1.42982 Ang I2.C and H5.ND1 other bump:2.449 Ang L3.N and H5.ND1 other bump:2.34003 Ang I2.N and H5.ND1 other bump:2.51837 Ang I2.CD1 and H5.CD2 other bump:2.7561 Ang I2.CA and H5.CD2 other bump:2.54864 Ang I2.O and H5.CD2 other bump:3.02212 Ang I2.C and H5.CD2 other bump:2.06965 Ang G1.O and H5.CG other bump:2.92716 Ang G1.C and H5.CG other bump:2.66993 Ang I2.CA and H5.CG other bump:2.34 Ang I2.O and H5.CG other bump:2.69214 Ang I2.C and H5.CG other bump:2.19861 Ang G1.O and H5.CB T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHLED 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAE Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:1.93188 Ang P16.O and M21.CE other bump:2.44039 Ang P16.C and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 2 total=125 Number of alignments=38 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1frqA/T0180-1frqA-simpleSW-adpstyle1.pw.a2m.gz # 1frqA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1frqA/T0180-1frqA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1frqA in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1frqA 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGDAK Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.16259 Ang K29.CD and G36.CA other bump:2.38085 Ang K29.CE and G36.CA other bump:2.68568 Ang K29.CE and G36.N other bump:2.93039 Ang R31.C and P33.CD self-bump: 2.16476 Ang P33.CA and P33.CD self-bump: 2.10093 Ang P33.CA and P33.CG neighbor-bump: 2.55571 Ang R31.C and V32.CB other bump:2.0451 Ang I25.CD1 and S30.N other bump:2.57885 Ang I25.CD1 and K29.C other bump:3.10792 Ang I25.CG1 and K29.C other bump:2.98546 Ang I25.CD1 and K29.CB neighbor-bump: 2.53039 Ang L28.C and K29.CB neighbor-bump: 2.12221 Ang L28.O and K29.CB other bump:2.42578 Ang I25.CD1 and K29.CA other bump:2.87467 Ang I25.CG1 and K29.CA other bump:2.20291 Ang D23.OD1 and I25.O other bump:2.6746 Ang V16.CG1 and R19.NH1 other bump:3.02213 Ang R5.NE and V18.CG2 other bump:2.65304 Ang R5.CZ and V18.CG2 other bump:2.71859 Ang R5.NH1 and V18.CG2 neighbor-bump: 1.65963 Ang D12.O and T13.OG1 neighbor-bump: 2.30429 Ang D12.C and T13.OG1 T0180 37 :SMSAYIRRIILN 1frqA 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1frqA 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.84924 Ang K29.CB and P30.CA neighbor-bump: 2.33082 Ang K29.CG and P30.CA neighbor-bump: 2.37669 Ang K29.CG and P30.N neighbor-bump: 1.88359 Ang T28.O and K29.CB neighbor-bump: 2.36905 Ang T28.C and K29.CB other bump:3.11247 Ang R19.CD and L25.CD2 other bump:2.52406 Ang R19.NE and L25.CD2 other bump:1.4889 Ang R19.CZ and L25.CD2 other bump:0.219436 Ang R19.NH1 and L25.CD2 other bump:2.3324 Ang R19.NH2 and L25.CD2 other bump:2.80071 Ang R19.CD and L25.CD1 other bump:2.66458 Ang R19.NE and L25.CD1 other bump:2.47768 Ang R19.CZ and L25.CD1 other bump:2.37513 Ang R19.NH1 and L25.CD1 other bump:2.59199 Ang R19.NH1 and L25.CB other bump:2.10195 Ang M16.SD and R19.NH2 other bump:2.04022 Ang M16.CE and R19.NH2 other bump:2.28675 Ang M16.SD and R19.CZ other bump:2.98989 Ang M16.CE and R19.CZ other bump:1.9548 Ang M16.SD and R19.NE Number of specific fragments= 3 total=128 Number of alignments=39 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1frqA/T0180-1frqA-simpleSW-adpstyle5.pw.a2m.gz # 1frqA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1frqA/T0180-1frqA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1frqA in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1frqA 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGD Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.25776 Ang V32.N and P33.CD other bump:3.14545 Ang R31.CA and P33.CD other bump:2.10899 Ang R31.O and P33.CD other bump:2.11682 Ang R31.C and P33.CD self-bump: 1.39467 Ang P33.N and P33.CD other bump:3.28616 Ang R31.C and P33.CG neighbor-bump: 2.55571 Ang R31.C and V32.CB other bump:2.0451 Ang I25.CD1 and S30.N other bump:3.10792 Ang I25.CG1 and K29.C other bump:2.57885 Ang I25.CD1 and K29.C other bump:2.98546 Ang I25.CD1 and K29.CB neighbor-bump: 2.12221 Ang L28.O and K29.CB neighbor-bump: 2.53039 Ang L28.C and K29.CB other bump:2.87467 Ang I25.CG1 and K29.CA other bump:2.42578 Ang I25.CD1 and K29.CA other bump:2.20291 Ang D23.OD1 and I25.O other bump:2.6746 Ang V16.CG1 and R19.NH1 other bump:3.02213 Ang R5.NE and V18.CG2 other bump:2.65304 Ang R5.CZ and V18.CG2 other bump:2.71859 Ang R5.NH1 and V18.CG2 neighbor-bump: 1.65963 Ang D12.O and T13.OG1 neighbor-bump: 2.30429 Ang D12.C and T13.OG1 T0180 35 :NTSMSAYIRRIILN 1frqA 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1frqA 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVG Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 1.89649 Ang V31.O and V32.CG2 neighbor-bump: 2.51674 Ang V31.C and V32.CG2 neighbor-bump: 2.08003 Ang V31.O and V32.CB neighbor-bump: 2.58837 Ang V31.C and V32.CB neighbor-bump: 2.84924 Ang K29.CB and P30.CA neighbor-bump: 2.33082 Ang K29.CG and P30.CA neighbor-bump: 2.37669 Ang K29.CG and P30.N neighbor-bump: 1.88359 Ang T28.O and K29.CB neighbor-bump: 2.36905 Ang T28.C and K29.CB other bump:1.4889 Ang R19.CZ and L25.CD2 other bump:0.219436 Ang R19.NH1 and L25.CD2 other bump:3.11247 Ang R19.CD and L25.CD2 other bump:2.52406 Ang R19.NE and L25.CD2 other bump:2.3324 Ang R19.NH2 and L25.CD2 other bump:2.47768 Ang R19.CZ and L25.CD1 other bump:2.37513 Ang R19.NH1 and L25.CD1 other bump:2.80071 Ang R19.CD and L25.CD1 other bump:2.66458 Ang R19.NE and L25.CD1 other bump:2.59199 Ang R19.NH1 and L25.CB other bump:2.04022 Ang M16.CE and R19.NH2 other bump:2.10195 Ang M16.SD and R19.NH2 other bump:2.98989 Ang M16.CE and R19.CZ other bump:2.28675 Ang M16.SD and R19.CZ other bump:1.9548 Ang M16.SD and R19.NE Number of specific fragments= 3 total=131 Number of alignments=40 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1bx1A/T0180-1bx1A-simpleSW-adpstyle1.pw.a2m.gz # 1bx1A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1bx1A/T0180-1bx1A-simpleSW-adpstyle1.pw.a2m.gz # found chain 1bx1A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1bx1A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGDAK Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.22334 Ang K29.CD and G36.CA other bump:2.44124 Ang K29.CE and G36.CA self-bump: 2.15797 Ang P33.CA and P33.CD self-bump: 2.08864 Ang P33.CA and P33.CG neighbor-bump: 2.54427 Ang R31.C and V32.CB other bump:2.21449 Ang I25.CD1 and S30.N other bump:2.62654 Ang I25.CD1 and K29.C other bump:3.0985 Ang I25.CG1 and K29.C other bump:2.81031 Ang I25.CD1 and K29.CD other bump:2.79283 Ang I25.CD1 and K29.CB neighbor-bump: 2.61178 Ang L28.C and K29.CB neighbor-bump: 2.23584 Ang L28.O and K29.CB other bump:2.30903 Ang I25.CD1 and K29.CA other bump:2.7611 Ang I25.CG1 and K29.CA other bump:2.27841 Ang D23.OD1 and I25.O other bump:2.70791 Ang D23.OD1 and I25.CG2 other bump:2.76724 Ang V16.CG1 and R19.NH1 other bump:3.19452 Ang R5.NE and V18.CG2 other bump:2.84092 Ang R5.CZ and V18.CG2 neighbor-bump: 1.59173 Ang D12.O and T13.OG1 neighbor-bump: 2.30081 Ang D12.C and T13.OG1 T0180 37 :SMSAYIRRIILN 1bx1A 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1bx1A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.87217 Ang K29.CB and P30.CA neighbor-bump: 2.34007 Ang K29.CG and P30.CA neighbor-bump: 2.40297 Ang K29.CG and P30.N neighbor-bump: 1.86672 Ang T28.O and K29.CB neighbor-bump: 2.36352 Ang T28.C and K29.CB other bump:2.74079 Ang R19.NE and L25.CD2 other bump:1.72482 Ang R19.CZ and L25.CD2 other bump:0.451951 Ang R19.NH1 and L25.CD2 other bump:2.52747 Ang R19.NH2 and L25.CD2 other bump:2.5546 Ang R19.NE and L25.CD1 other bump:2.69943 Ang R19.CD and L25.CD1 other bump:2.32374 Ang R19.CZ and L25.CD1 other bump:2.16311 Ang R19.NH1 and L25.CD1 other bump:2.55761 Ang R19.NH1 and L25.CB other bump:1.93907 Ang M16.SD and R19.NH2 other bump:1.9249 Ang M16.CE and R19.NH2 other bump:2.18253 Ang M16.SD and R19.CZ other bump:2.94332 Ang M16.CE and R19.CZ other bump:1.94051 Ang M16.SD and R19.NE Number of specific fragments= 3 total=134 Number of alignments=41 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1bx1A/T0180-1bx1A-simpleSW-adpstyle5.pw.a2m.gz # 1bx1A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1bx1A/T0180-1bx1A-simpleSW-adpstyle5.pw.a2m.gz # found chain 1bx1A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1bx1A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGD Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.16857 Ang R31.CA and P33.CD neighbor-bump: 2.27456 Ang V32.N and P33.CD other bump:2.14147 Ang R31.O and P33.CD other bump:2.14217 Ang R31.C and P33.CD self-bump: 1.3958 Ang P33.N and P33.CD neighbor-bump: 2.54427 Ang R31.C and V32.CB other bump:2.21449 Ang I25.CD1 and S30.N other bump:3.0985 Ang I25.CG1 and K29.C other bump:2.62654 Ang I25.CD1 and K29.C other bump:2.81031 Ang I25.CD1 and K29.CD other bump:2.79283 Ang I25.CD1 and K29.CB neighbor-bump: 2.23584 Ang L28.O and K29.CB neighbor-bump: 2.61178 Ang L28.C and K29.CB other bump:2.7611 Ang I25.CG1 and K29.CA other bump:2.30903 Ang I25.CD1 and K29.CA other bump:2.27841 Ang D23.OD1 and I25.O other bump:2.70791 Ang D23.OD1 and I25.CG2 other bump:2.76724 Ang V16.CG1 and R19.NH1 other bump:3.19452 Ang R5.NE and V18.CG2 other bump:2.84092 Ang R5.CZ and V18.CG2 neighbor-bump: 1.59173 Ang D12.O and T13.OG1 neighbor-bump: 2.30081 Ang D12.C and T13.OG1 T0180 35 :NTSMSAYIRRIILN 1bx1A 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1bx1A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVG Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.05508 Ang V31.O and V32.CG2 neighbor-bump: 2.58452 Ang V31.C and V32.CG2 neighbor-bump: 2.15684 Ang V31.O and V32.CB neighbor-bump: 2.61624 Ang V31.C and V32.CB neighbor-bump: 2.87217 Ang K29.CB and P30.CA neighbor-bump: 2.34007 Ang K29.CG and P30.CA neighbor-bump: 2.40297 Ang K29.CG and P30.N neighbor-bump: 1.86672 Ang T28.O and K29.CB neighbor-bump: 2.36352 Ang T28.C and K29.CB other bump:2.74079 Ang R19.NE and L25.CD2 other bump:1.72482 Ang R19.CZ and L25.CD2 other bump:0.451951 Ang R19.NH1 and L25.CD2 other bump:2.52747 Ang R19.NH2 and L25.CD2 other bump:2.5546 Ang R19.NE and L25.CD1 other bump:2.32374 Ang R19.CZ and L25.CD1 other bump:2.16311 Ang R19.NH1 and L25.CD1 other bump:2.69943 Ang R19.CD and L25.CD1 other bump:2.55761 Ang R19.NH1 and L25.CB other bump:1.9249 Ang M16.CE and R19.NH2 other bump:1.93907 Ang M16.SD and R19.NH2 other bump:2.94332 Ang M16.CE and R19.CZ other bump:2.18253 Ang M16.SD and R19.CZ other bump:1.94051 Ang M16.SD and R19.NE Number of specific fragments= 3 total=137 Number of alignments=42 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1bx0A/T0180-1bx0A-simpleSW-adpstyle5.pw.a2m.gz # 1bx0A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1bx0A/T0180-1bx0A-simpleSW-adpstyle5.pw.a2m.gz # found chain 1bx0A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1bx0A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGD Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.20966 Ang R31.CA and P33.CD neighbor-bump: 2.25489 Ang V32.N and P33.CD other bump:2.19088 Ang R31.O and P33.CD other bump:2.17524 Ang R31.C and P33.CD neighbor-bump: 2.1086 Ang V32.C and P33.CD self-bump: 1.3977 Ang P33.N and P33.CD neighbor-bump: 2.50371 Ang R31.C and V32.CB other bump:2.19055 Ang I25.CD1 and S30.N other bump:3.09031 Ang I25.CG1 and K29.C other bump:2.58392 Ang I25.CD1 and K29.C other bump:2.86575 Ang I25.CD1 and K29.CD other bump:2.81035 Ang I25.CD1 and K29.CB neighbor-bump: 2.22861 Ang L28.O and K29.CB neighbor-bump: 2.5981 Ang L28.C and K29.CB other bump:2.75836 Ang I25.CG1 and K29.CA other bump:2.27074 Ang I25.CD1 and K29.CA other bump:2.76182 Ang D23.OD1 and I25.CG2 other bump:2.81947 Ang V16.CG1 and R19.NH1 other bump:3.28611 Ang R5.NE and V18.CG2 other bump:2.96104 Ang R5.CZ and V18.CG2 neighbor-bump: 1.55423 Ang D12.O and T13.OG1 neighbor-bump: 2.30981 Ang D12.C and T13.OG1 T0180 35 :NTSMSAYIRRIILN 1bx0A 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1bx0A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVG Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.02086 Ang V31.O and V32.CG2 neighbor-bump: 2.55995 Ang V31.C and V32.CG2 neighbor-bump: 2.11864 Ang V31.O and V32.CB neighbor-bump: 2.59902 Ang V31.C and V32.CB neighbor-bump: 2.89139 Ang K29.CB and P30.CA neighbor-bump: 2.34572 Ang K29.CG and P30.CA neighbor-bump: 2.41295 Ang K29.CG and P30.N neighbor-bump: 1.84416 Ang T28.O and K29.CB neighbor-bump: 2.35801 Ang T28.C and K29.CB other bump:1.57644 Ang R19.CZ and L25.CD2 other bump:0.353693 Ang R19.NH1 and L25.CD2 other bump:3.19491 Ang R19.CD and L25.CD2 other bump:2.61241 Ang R19.NE and L25.CD2 other bump:2.38672 Ang R19.NH2 and L25.CD2 other bump:2.31184 Ang R19.CZ and L25.CD1 other bump:2.18644 Ang R19.NH1 and L25.CD1 other bump:2.46505 Ang R19.CD and L25.CD1 other bump:2.42051 Ang R19.NE and L25.CD1 other bump:2.47775 Ang R19.NH1 and L25.CB other bump:2.23505 Ang M16.CE and R19.NH2 other bump:2.25739 Ang M16.SD and R19.NH2 other bump:3.14503 Ang M16.CE and R19.CZ other bump:2.45 Ang M16.SD and R19.CZ other bump:2.07064 Ang M16.SD and R19.NE Number of specific fragments= 3 total=140 Number of alignments=43 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1bx0A/T0180-1bx0A-simpleSW-adpstyle1.pw.a2m.gz # 1bx0A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1bx0A/T0180-1bx0A-simpleSW-adpstyle1.pw.a2m.gz # found chain 1bx0A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1bx0A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGDAK Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.14305 Ang K29.CD and G36.CA other bump:2.34326 Ang K29.CE and G36.CA other bump:2.73158 Ang K29.CE and G36.N self-bump: 2.17115 Ang P33.CA and P33.CD self-bump: 2.10074 Ang P33.CA and P33.CG neighbor-bump: 2.50371 Ang R31.C and V32.CB other bump:2.19055 Ang I25.CD1 and S30.N other bump:2.58392 Ang I25.CD1 and K29.C other bump:3.09031 Ang I25.CG1 and K29.C other bump:2.86575 Ang I25.CD1 and K29.CD other bump:2.81035 Ang I25.CD1 and K29.CB neighbor-bump: 2.5981 Ang L28.C and K29.CB neighbor-bump: 2.22861 Ang L28.O and K29.CB other bump:2.27074 Ang I25.CD1 and K29.CA other bump:2.75836 Ang I25.CG1 and K29.CA other bump:2.76182 Ang D23.OD1 and I25.CG2 other bump:2.81947 Ang V16.CG1 and R19.NH1 other bump:3.28611 Ang R5.NE and V18.CG2 other bump:2.96104 Ang R5.CZ and V18.CG2 neighbor-bump: 1.55423 Ang D12.O and T13.OG1 neighbor-bump: 2.30981 Ang D12.C and T13.OG1 T0180 37 :SMSAYIRRIILN 1bx0A 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1bx0A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.89139 Ang K29.CB and P30.CA neighbor-bump: 2.34572 Ang K29.CG and P30.CA neighbor-bump: 2.41295 Ang K29.CG and P30.N neighbor-bump: 1.84416 Ang T28.O and K29.CB neighbor-bump: 2.35801 Ang T28.C and K29.CB other bump:3.19491 Ang R19.CD and L25.CD2 other bump:2.61241 Ang R19.NE and L25.CD2 other bump:1.57644 Ang R19.CZ and L25.CD2 other bump:0.353693 Ang R19.NH1 and L25.CD2 other bump:2.38672 Ang R19.NH2 and L25.CD2 other bump:2.46505 Ang R19.CD and L25.CD1 other bump:2.42051 Ang R19.NE and L25.CD1 other bump:2.31184 Ang R19.CZ and L25.CD1 other bump:2.18644 Ang R19.NH1 and L25.CD1 other bump:2.47775 Ang R19.NH1 and L25.CB other bump:2.25739 Ang M16.SD and R19.NH2 other bump:2.23505 Ang M16.CE and R19.NH2 other bump:2.45 Ang M16.SD and R19.CZ other bump:3.14503 Ang M16.CE and R19.CZ other bump:2.07064 Ang M16.SD and R19.NE Number of specific fragments= 3 total=143 Number of alignments=44 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1frn/T0180-1frn-simpleSW-adpstyle1.pw.a2m.gz # 1frn read from /projects/compbio/experiments/casp5/t0180/t0180-double/1frn/T0180-1frn-simpleSW-adpstyle1.pw.a2m.gz # found chain 1frn in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1frn 76 :VGVIPDGEDKNGKPHKLRLYVIASSALGDFGDAK Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.205 Ang K29.CD and G36.CA other bump:2.4017 Ang K29.CE and G36.CA other bump:2.77551 Ang R31.C and P33.CD self-bump: 2.23555 Ang P33.CA and P33.CD self-bump: 2.14605 Ang P33.CA and P33.CG neighbor-bump: 2.60444 Ang R31.C and V32.CB other bump:2.30651 Ang I25.CD1 and S30.N other bump:3.0923 Ang I25.CG1 and K29.C other bump:2.73088 Ang I25.CD1 and K29.C other bump:2.60412 Ang I25.CD1 and K29.CD other bump:2.69854 Ang I25.CD1 and K29.CB neighbor-bump: 2.61099 Ang L28.C and K29.CB neighbor-bump: 2.31159 Ang L28.O and K29.CB other bump:2.69679 Ang I25.CG1 and K29.CA other bump:2.31088 Ang I25.CD1 and K29.CA other bump:2.60867 Ang D23.OD1 and I25.CG2 other bump:2.7055 Ang V16.CG1 and R19.NH1 other bump:3.32833 Ang R5.NE and V18.CG2 other bump:2.97408 Ang R5.CZ and V18.CG2 neighbor-bump: 2.71034 Ang V16.CG1 and V17.O other bump:2.99822 Ang P6.CG and V16.CG1 other bump:3.14602 Ang P6.CD and V16.CG1 other bump:2.42386 Ang L10.N and K14.O neighbor-bump: 1.44106 Ang D12.O and T13.OG1 neighbor-bump: 2.18932 Ang D12.C and T13.OG1 neighbor-bump: 2.68979 Ang D12.C and T13.CB T0180 37 :SMSAYIRRIILN 1frn 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1frn 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.72547 Ang K29.CB and P30.CA neighbor-bump: 2.11324 Ang K29.CG and P30.CA neighbor-bump: 3.27171 Ang K29.CD and P30.CA neighbor-bump: 2.22703 Ang K29.CG and P30.N neighbor-bump: 1.85411 Ang T28.O and K29.CB neighbor-bump: 2.34529 Ang T28.C and K29.CB other bump:2.99217 Ang R19.CD and L25.CD2 other bump:2.47639 Ang R19.NE and L25.CD2 other bump:1.51667 Ang R19.CZ and L25.CD2 other bump:0.201127 Ang R19.NH1 and L25.CD2 other bump:2.44048 Ang R19.NH2 and L25.CD2 other bump:2.70833 Ang R19.CD and L25.CD1 other bump:2.61797 Ang R19.NE and L25.CD1 other bump:2.53837 Ang R19.CZ and L25.CD1 other bump:2.51906 Ang R19.NH1 and L25.CD1 other bump:2.6267 Ang R19.NH1 and L25.CB other bump:2.1191 Ang M16.SD and R19.NH2 other bump:1.95123 Ang M16.CE and R19.NH2 other bump:2.24847 Ang M16.SD and R19.CZ other bump:2.87605 Ang M16.CE and R19.CZ other bump:1.86349 Ang M16.SD and R19.NE other bump:3.24139 Ang M16.CE and R19.NE Number of specific fragments= 3 total=146 Number of alignments=45 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1frn/T0180-1frn-simpleSW-adpstyle5.pw.a2m.gz # 1frn read from /projects/compbio/experiments/casp5/t0180/t0180-double/1frn/T0180-1frn-simpleSW-adpstyle5.pw.a2m.gz # found chain 1frn in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1frn 76 :VGVIPDGEDKNGKPHKLRLYVIASSALGDFGD Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.15657 Ang V32.N and P33.CD other bump:3.08876 Ang R31.CA and P33.CD other bump:2.06321 Ang R31.O and P33.CD other bump:2.02723 Ang R31.C and P33.CD neighbor-bump: 2.47544 Ang V32.CA and P33.CD neighbor-bump: 2.06975 Ang V32.C and P33.CD other bump:3.1667 Ang R31.C and P33.CG neighbor-bump: 2.60444 Ang R31.C and V32.CB other bump:2.30651 Ang I25.CD1 and S30.N other bump:3.0923 Ang I25.CG1 and K29.C other bump:2.73088 Ang I25.CD1 and K29.C other bump:2.60412 Ang I25.CD1 and K29.CD other bump:2.69854 Ang I25.CD1 and K29.CB neighbor-bump: 2.31159 Ang L28.O and K29.CB neighbor-bump: 2.61099 Ang L28.C and K29.CB other bump:2.69679 Ang I25.CG1 and K29.CA other bump:2.31088 Ang I25.CD1 and K29.CA other bump:2.60867 Ang D23.OD1 and I25.CG2 other bump:2.7055 Ang V16.CG1 and R19.NH1 other bump:3.32833 Ang R5.NE and V18.CG2 other bump:2.97408 Ang R5.CZ and V18.CG2 neighbor-bump: 2.71034 Ang V16.CG1 and V17.O other bump:2.99822 Ang P6.CG and V16.CG1 other bump:3.14602 Ang P6.CD and V16.CG1 other bump:2.42386 Ang L10.N and K14.O neighbor-bump: 1.44106 Ang D12.O and T13.OG1 neighbor-bump: 2.18932 Ang D12.C and T13.OG1 neighbor-bump: 2.68979 Ang D12.C and T13.CB T0180 35 :NTSMSAYIRRIILN 1frn 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1frn 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVG Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 1.76727 Ang V31.O and V32.CG2 neighbor-bump: 2.5181 Ang V31.C and V32.CG2 neighbor-bump: 1.97195 Ang V31.O and V32.CB neighbor-bump: 2.54838 Ang V31.C and V32.CB neighbor-bump: 3.27171 Ang K29.CD and P30.CA neighbor-bump: 2.72547 Ang K29.CB and P30.CA neighbor-bump: 2.11324 Ang K29.CG and P30.CA neighbor-bump: 2.22703 Ang K29.CG and P30.N neighbor-bump: 1.85411 Ang T28.O and K29.CB neighbor-bump: 2.34529 Ang T28.C and K29.CB other bump:1.51667 Ang R19.CZ and L25.CD2 other bump:0.201127 Ang R19.NH1 and L25.CD2 other bump:2.99217 Ang R19.CD and L25.CD2 other bump:2.47639 Ang R19.NE and L25.CD2 other bump:2.44048 Ang R19.NH2 and L25.CD2 other bump:2.53837 Ang R19.CZ and L25.CD1 other bump:2.51906 Ang R19.NH1 and L25.CD1 other bump:2.70833 Ang R19.CD and L25.CD1 other bump:2.61797 Ang R19.NE and L25.CD1 other bump:2.6267 Ang R19.NH1 and L25.CB other bump:1.95123 Ang M16.CE and R19.NH2 other bump:2.1191 Ang M16.SD and R19.NH2 other bump:2.87605 Ang M16.CE and R19.CZ other bump:2.24847 Ang M16.SD and R19.CZ other bump:3.24139 Ang M16.CE and R19.NE other bump:1.86349 Ang M16.SD and R19.NE Number of specific fragments= 3 total=149 Number of alignments=46 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/T0180-1d2zA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1d2zA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/T0180-1d2zA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1d2zA in template set T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRII 1d2zA 63 :KLYPDQVEQISSQKQRGRSASNEFLNIW Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.62756 Ang L3.CD2 and I29.CD1 other bump:2.76327 Ang Y24.CE2 and I28.CD1 other bump:3.30128 Ang E7.CD and I28.CG2 other bump:2.54443 Ang L11.CD1 and I25.CG1 other bump:2.7255 Ang L11.CD2 and I25.N other bump:2.71472 Ang L11.CD2 and Y24.C other bump:2.56891 Ang A10.CB and Y24.OH other bump:2.95815 Ang A10.CB and Y24.CE2 other bump:3.00865 Ang A10.C and Y24.CE2 other bump:3.0777 Ang L11.N and Y24.CE2 other bump:3.0524 Ang L11.CA and Y24.CD2 other bump:2.79584 Ang L11.CG and Y24.CD2 other bump:2.11267 Ang L11.CD2 and Y24.CD2 other bump:2.61138 Ang L11.CD2 and Y24.CG other bump:2.48201 Ang L11.CD2 and Y24.CB other bump:3.16438 Ang L11.CD2 and Y24.CA other bump:2.63278 Ang R14.C and M21.CE other bump:1.86385 Ang V15.N and M21.CE other bump:2.33088 Ang V15.CA and M21.CE other bump:2.61811 Ang V15.CB and M21.CE other bump:2.05864 Ang V15.CG2 and M21.CE other bump:2.07995 Ang L11.O and M21.SD other bump:2.72964 Ang V15.N and M21.SD other bump:2.809 Ang V15.CA and M21.SD other bump:2.06135 Ang V15.CB and M21.SD other bump:1.13241 Ang V15.CG2 and M21.SD other bump:2.45804 Ang V15.CB and M21.CG other bump:2.97937 Ang V15.CG1 and M21.CG other bump:1.07333 Ang V15.CG2 and M21.CG other bump:2.49328 Ang V15.CG2 and M21.CB other bump:3.15242 Ang V15.CG2 and M21.CA other bump:2.97236 Ang R14.CA and T19.OG1 other bump:1.91757 Ang R14.O and T19.OG1 other bump:2.3613 Ang R14.C and T19.OG1 other bump:2.84867 Ang R14.CZ and T19.CG2 other bump:1.94336 Ang R14.NH2 and T19.CG2 other bump:3.07274 Ang R14.NH2 and T19.CB other bump:2.52644 Ang L3.CD2 and E7.OE1 Number of specific fragments= 1 total=150 Number of alignments=47 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/T0180-1d2zA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1d2zA read from /projects/compbio/experiments/casp5/t0180/t0180-double/1d2zA/T0180-1d2zA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1d2zA in template set T0180 85 :LYPDEIEALKSRVPANTSMSAYIRRII 1d2zA 64 :LYPDQVEQISSQKQRGRSASNEFLNIW Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.62756 Ang L2.CD2 and I28.CD1 other bump:2.76327 Ang Y23.CE2 and I27.CD1 other bump:3.30128 Ang E6.CD and I27.CG2 other bump:2.54443 Ang L10.CD1 and I24.CG1 other bump:2.7255 Ang L10.CD2 and I24.N other bump:2.71472 Ang L10.CD2 and Y23.C other bump:2.56891 Ang A9.CB and Y23.OH other bump:2.95815 Ang A9.CB and Y23.CE2 other bump:3.00865 Ang A9.C and Y23.CE2 other bump:3.0777 Ang L10.N and Y23.CE2 other bump:3.0524 Ang L10.CA and Y23.CD2 other bump:2.79584 Ang L10.CG and Y23.CD2 other bump:2.11267 Ang L10.CD2 and Y23.CD2 other bump:2.61138 Ang L10.CD2 and Y23.CG other bump:2.48201 Ang L10.CD2 and Y23.CB other bump:3.16438 Ang L10.CD2 and Y23.CA other bump:2.63278 Ang R13.C and M20.CE other bump:1.86385 Ang V14.N and M20.CE other bump:2.33088 Ang V14.CA and M20.CE other bump:2.61811 Ang V14.CB and M20.CE other bump:2.05864 Ang V14.CG2 and M20.CE other bump:2.07995 Ang L10.O and M20.SD other bump:2.72964 Ang V14.N and M20.SD other bump:2.809 Ang V14.CA and M20.SD other bump:2.06135 Ang V14.CB and M20.SD other bump:1.13241 Ang V14.CG2 and M20.SD other bump:2.45804 Ang V14.CB and M20.CG other bump:2.97937 Ang V14.CG1 and M20.CG other bump:1.07333 Ang V14.CG2 and M20.CG other bump:2.49328 Ang V14.CG2 and M20.CB other bump:3.15242 Ang V14.CG2 and M20.CA other bump:2.97236 Ang R13.CA and T18.OG1 other bump:1.91757 Ang R13.O and T18.OG1 other bump:2.3613 Ang R13.C and T18.OG1 other bump:2.84867 Ang R13.CZ and T18.CG2 other bump:1.94336 Ang R13.NH2 and T18.CG2 other bump:3.07274 Ang R13.NH2 and T18.CB other bump:2.52644 Ang L2.CD2 and E6.OE1 Number of specific fragments= 1 total=151 Number of alignments=48 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/T0180-1b65A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1b65A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/T0180-1b65A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1b65A in template set T0180 8 :GGLKDTKPVVVRLYPDEIEALKSRVPANTSM 1b65A 133 :DDFLWIMPVVAETYDGALNDINGFPVTEADV Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues self-bump: 1.3922 Ang N29.CA and N29.CB other bump:3.19666 Ang P16.CD and L22.CD2 other bump:2.00821 Ang D17.CG and L22.CD1 other bump:1.25805 Ang D17.OD2 and L22.CD1 other bump:2.27597 Ang D17.N and L22.CD1 other bump:2.48569 Ang D17.CA and L22.CD1 other bump:2.67188 Ang D17.CB and L22.CD1 other bump:2.06313 Ang D17.OD2 and L22.CG other bump:3.22208 Ang D17.CA and L22.CG other bump:2.19408 Ang D17.OD2 and L22.CB other bump:2.18006 Ang Y15.CD1 and D17.OD1 other bump:0.85972 Ang Y15.CE1 and D17.OD1 other bump:2.06692 Ang Y15.OH and D17.OD1 other bump:2.83748 Ang Y15.CE2 and D17.OD1 other bump:1.55823 Ang Y15.CZ and D17.OD1 other bump:2.76531 Ang Y15.CD1 and D17.CG other bump:1.79947 Ang Y15.CE1 and D17.CG other bump:2.36817 Ang Y15.OH and D17.CG other bump:2.76042 Ang Y15.CE1 and D17.CB other bump:2.10831 Ang Y15.OH and D17.CB other bump:2.66473 Ang Y15.CE2 and D17.CB other bump:2.11217 Ang Y15.CZ and D17.CB T0180 44 :RIILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1b65A 164 :RKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:3.15848 Ang R27.CA and P29.CD other bump:3.19846 Ang G26.C and P29.CD neighbor-bump: 2.45634 Ang R28.N and P29.CD other bump:2.21197 Ang G26.O and P29.CD other bump:2.01689 Ang R27.O and P29.CD other bump:2.13657 Ang R27.C and P29.CD other bump:3.27466 Ang G26.C and P29.CG other bump:2.04948 Ang G26.O and P29.CG neighbor-bump: 2.38767 Ang D11.CB and G12.N self-bump: 2.18948 Ang D11.CB and D11.C self-bump: 1.28459 Ang D11.CA and D11.CB other bump:2.30191 Ang I3.O and H7.CD2 Number of specific fragments= 2 total=153 Number of alignments=49 # Reading fragments from alignment file # T0180 read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/T0180-1b65A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1b65A read from /projects/compbio/experiments/casp5/t0180/t0180-double/1b65A/T0180-1b65A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1b65A in template set T0180 8 :GGLKDTKPVVVRLYPDEIEALKSRVP 1b65A 133 :DDFLWIMPVVAETYDGALNDINGFPV Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.19666 Ang P16.CD and L22.CD2 other bump:2.00821 Ang D17.CG and L22.CD1 other bump:1.25805 Ang D17.OD2 and L22.CD1 other bump:2.27597 Ang D17.N and L22.CD1 other bump:2.48569 Ang D17.CA and L22.CD1 other bump:2.67188 Ang D17.CB and L22.CD1 other bump:2.06313 Ang D17.OD2 and L22.CG other bump:3.22208 Ang D17.CA and L22.CG other bump:2.19408 Ang D17.OD2 and L22.CB other bump:2.18006 Ang Y15.CD1 and D17.OD1 other bump:0.85972 Ang Y15.CE1 and D17.OD1 other bump:2.06692 Ang Y15.OH and D17.OD1 other bump:2.83748 Ang Y15.CE2 and D17.OD1 other bump:1.55823 Ang Y15.CZ and D17.OD1 other bump:2.76531 Ang Y15.CD1 and D17.CG other bump:1.79947 Ang Y15.CE1 and D17.CG other bump:2.36817 Ang Y15.OH and D17.CG other bump:2.76042 Ang Y15.CE1 and D17.CB other bump:2.10831 Ang Y15.OH and D17.CB other bump:2.66473 Ang Y15.CE2 and D17.CB other bump:2.11217 Ang Y15.CZ and D17.CB T0180 38 :MSAYIRR 1b65A 159 :TEADVRK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0180 46 :ILNHLEDDGGGGGGGGGGGGMVGRRPGGGLK 1b65A 166 :ALDNVASGPVQEGNCGGGTGMITYGFKGGTG Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:3.19846 Ang G24.C and P27.CD neighbor-bump: 2.45634 Ang R26.N and P27.CD other bump:2.21197 Ang G24.O and P27.CD other bump:3.15848 Ang R25.CA and P27.CD other bump:2.01689 Ang R25.O and P27.CD other bump:2.13657 Ang R25.C and P27.CD other bump:3.27466 Ang G24.C and P27.CG other bump:2.04948 Ang G24.O and P27.CG neighbor-bump: 2.38767 Ang D9.CB and G10.N self-bump: 2.18948 Ang D9.CB and D9.C self-bump: 1.28459 Ang D9.CA and D9.CB other bump:2.30191 Ang G1.O and H5.CD2 Number of specific fragments= 3 total=156 Number of alignments=50 # command:# Reading fragments from alignment file # T0180 read from T0180.t2k-2track-undertaker.a2m # command:CPU_time= 37130 msec, elapsed time= 39068.2 msec) # command:# Will now start reporting costs to decoys/undertaker-try1.rdb # command:# CostConform T0180.rand costs 524.397 # command:CPU_time= 37170 msec, elapsed time= 39108.3 msec) # command:# Prefix for input files set to # command:# Reading fragments from alignment file # T0180 read from T0180.t2k.frag # 1sxl.1.1 read from T0180.t2k.frag # adding 1sxl to template set 1sxl:# found chain 1sxl in template set T0180 1 :MVGRRPGGG 1sxl 2 :SYARPGGES Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.2956 Ang P6.CB and G7.N self-bump: 1.32314 Ang P6.N and P6.CD neighbor-bump: 2.43129 Ang R5.CA and P6.CD neighbor-bump: 2.12843 Ang R5.C and P6.CD self-bump: 2.20582 Ang P6.N and P6.CG Number of specific fragments= 1 total=157 # 1sxl.1.0 read from T0180.t2k.frag # found chain 1sxl in template set T0180 1 :MVGRRPGGG 1sxl 1 :MSYARPGGE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.78977 Ang R5.CB and P6.CD other bump:3.12944 Ang V2.CG1 and R5.NH1 neighbor-bump: 2.95354 Ang M1.C and V2.CG2 Number of specific fragments= 1 total=158 # 1pmc.1.1 read from T0180.t2k.frag # adding 1pmc to template set 1pmc:# found chain 1pmc in template set T0180 1 :MVGRRPGGG 1pmc 2 :ISCEPGKTF Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 1.66073 Ang R5.O and P6.CD neighbor-bump: 0.824342 Ang R5.C and P6.CD self-bump: 1.35778 Ang P6.N and P6.CD neighbor-bump: 1.69392 Ang R5.CA and P6.CD neighbor-bump: 1.96646 Ang R5.CB and P6.CD neighbor-bump: 1.7611 Ang R5.O and P6.CG neighbor-bump: 1.93699 Ang R5.C and P6.CG neighbor-bump: 3.07979 Ang R5.CA and P6.CG neighbor-bump: 1.93735 Ang R5.O and P6.CB neighbor-bump: 2.36904 Ang R5.C and P6.CB self-bump: 1.27575 Ang R5.CA and R5.CB neighbor-bump: 2.40267 Ang M1.O and V2.CG2 neighbor-bump: 2.85889 Ang M1.C and V2.CG2 Number of specific fragments= 1 total=159 # 1gl1I.1.1 read from T0180.t2k.frag # adding 1gl1I to template set 1gl1I:# found chain 1gl1I in template set T0180 1 :MVGRRPGGG 1gl1I 2 :ISCEPGKTF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.03958 Ang R5.O and P6.CD neighbor-bump: 1.11171 Ang R5.C and P6.CD self-bump: 1.33176 Ang P6.N and P6.CD neighbor-bump: 1.77463 Ang R5.CA and P6.CD neighbor-bump: 2.19034 Ang R5.CB and P6.CD neighbor-bump: 2.499 Ang R5.O and P6.CG neighbor-bump: 2.2461 Ang R5.C and P6.CG self-bump: 2.19546 Ang P6.N and P6.CG neighbor-bump: 3.19147 Ang R5.CA and P6.CG neighbor-bump: 2.53991 Ang R5.C and P6.CB Number of specific fragments= 1 total=160 # 1pmc.1.0 read from T0180.t2k.frag # found chain 1pmc in template set T0180 1 :MVGRRPGGG 1pmc 1 :EISCEPGKT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.64641 Ang V2.CG2 and G3.N neighbor-bump: 2.40349 Ang M1.CB and V2.N self-bump: 2.1528 Ang M1.CB and M1.C self-bump: 1.23928 Ang M1.CA and M1.CB Number of specific fragments= 1 total=161 # 1gl1I.1.0 read from T0180.t2k.frag # found chain 1gl1I in template set T0180 3 :GRRPGGG 1gl1I 3 :SCEPGKT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 1 total=162 # 1sxl.2.2 read from T0180.t2k.frag # found chain 1sxl in template set T0180 2 :VGRRPGGGL 1sxl 3 :YARPGGESI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.2956 Ang P6.CB and G7.N neighbor-bump: 2.12843 Ang R5.C and P6.CD self-bump: 1.32314 Ang P6.N and P6.CD neighbor-bump: 2.43129 Ang R5.CA and P6.CD self-bump: 2.20582 Ang P6.N and P6.CG self-bump: 1.36531 Ang V2.CA and V2.CB Number of specific fragments= 1 total=163 # 1pmc.2.2 read from T0180.t2k.frag # found chain 1pmc in template set T0180 2 :VGRRPGGGL 1pmc 3 :SCEPGKTFK Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.66073 Ang R5.O and P6.CD neighbor-bump: 0.824342 Ang R5.C and P6.CD self-bump: 1.35778 Ang P6.N and P6.CD neighbor-bump: 1.69392 Ang R5.CA and P6.CD neighbor-bump: 1.96646 Ang R5.CB and P6.CD neighbor-bump: 1.7611 Ang R5.O and P6.CG neighbor-bump: 1.93699 Ang R5.C and P6.CG neighbor-bump: 3.07979 Ang R5.CA and P6.CG neighbor-bump: 1.93735 Ang R5.O and P6.CB neighbor-bump: 2.36904 Ang R5.C and P6.CB self-bump: 1.27575 Ang R5.CA and R5.CB neighbor-bump: 2.40267 Ang G1.O and V2.CG2 neighbor-bump: 2.85889 Ang G1.C and V2.CG2 Number of specific fragments= 1 total=164 # 1sxl.2.1 read from T0180.t2k.frag # found chain 1sxl in template set T0180 2 :VGRRPGGGL 1sxl 2 :SYARPGGES Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.78977 Ang R5.CB and P6.CD other bump:3.12944 Ang V2.CG1 and R5.NH1 neighbor-bump: 2.95354 Ang G1.C and V2.CG2 Number of specific fragments= 1 total=165 # 1sxl.2.3 read from T0180.t2k.frag # found chain 1sxl in template set T0180 2 :VGRRPGGGL 1sxl 4 :ARPGGESIK Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.32481 Ang L10.CA and L10.CB neighbor-bump: 2.2558 Ang R5.CA and P6.CD neighbor-bump: 2.6057 Ang R5.CB and P6.CD neighbor-bump: 2.354 Ang R5.O and P6.CD neighbor-bump: 1.56729 Ang R5.C and P6.CD neighbor-bump: 2.47554 Ang R5.O and P6.CG neighbor-bump: 2.40306 Ang R5.C and P6.CG neighbor-bump: 1.92748 Ang R5.CB and P6.N self-bump: 2.10657 Ang R5.CB and R5.C neighbor-bump: 2.9158 Ang V2.CG1 and G3.CA neighbor-bump: 2.42624 Ang V2.CB and G3.N neighbor-bump: 1.63412 Ang V2.CG1 and G3.N self-bump: 2.1999 Ang V2.CB and V2.C self-bump: 2.29673 Ang V2.CG1 and V2.C self-bump: 1.27077 Ang V2.CA and V2.CB Number of specific fragments= 1 total=166 # 1gl1I.2.2 read from T0180.t2k.frag # found chain 1gl1I in template set T0180 2 :VGRRPGGGL 1gl1I 3 :SCEPGKTFK Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.03958 Ang R5.O and P6.CD neighbor-bump: 1.11171 Ang R5.C and P6.CD self-bump: 1.33176 Ang P6.N and P6.CD neighbor-bump: 1.77463 Ang R5.CA and P6.CD neighbor-bump: 2.19034 Ang R5.CB and P6.CD neighbor-bump: 2.499 Ang R5.O and P6.CG neighbor-bump: 2.2461 Ang R5.C and P6.CG self-bump: 2.19546 Ang P6.N and P6.CG neighbor-bump: 3.19147 Ang R5.CA and P6.CG neighbor-bump: 2.53991 Ang R5.C and P6.CB Number of specific fragments= 1 total=167 # 1k42A.2.2 read from T0180.t2k.frag # adding 1k42A to template set 1k42A:# found chain 1k42A in template set T0180 2 :VGRRPGGGL 1k42A 3 :VANINGGFE Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89363 Ang R4.NE and G7.C other bump:3.18651 Ang R4.CD and G7.CA other bump:2.33183 Ang R4.NE and G7.CA other bump:3.14842 Ang R4.CZ and G7.CA neighbor-bump: 2.30377 Ang R5.O and P6.CD neighbor-bump: 1.36128 Ang R5.C and P6.CD self-bump: 1.31413 Ang P6.N and P6.CD neighbor-bump: 2.35425 Ang R5.CG and P6.CD neighbor-bump: 1.93876 Ang R5.CA and P6.CD neighbor-bump: 2.46703 Ang R5.CB and P6.CD neighbor-bump: 2.35886 Ang R5.C and P6.CG self-bump: 2.18208 Ang P6.N and P6.CG neighbor-bump: 2.94655 Ang R5.CG and P6.CG neighbor-bump: 2.31609 Ang R5.O and P6.CB neighbor-bump: 2.48706 Ang R5.C and P6.CB other bump:2.61224 Ang V2.CG1 and R4.O Number of specific fragments= 1 total=168 # 1sxl.3.3 read from T0180.t2k.frag # found chain 1sxl in template set T0180 3 :GRRPGGGLK 1sxl 4 :ARPGGESIK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.2956 Ang P5.CB and G6.N self-bump: 1.32314 Ang P5.N and P5.CD neighbor-bump: 2.12843 Ang R4.C and P5.CD neighbor-bump: 2.43129 Ang R4.CA and P5.CD self-bump: 2.20582 Ang P5.N and P5.CG Number of specific fragments= 1 total=169 # 1pmc.3.3 read from T0180.t2k.frag # found chain 1pmc in template set T0180 3 :GRRPGGGLK 1pmc 4 :CEPGKTFKD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.31197 Ang K10.CA and K10.CB neighbor-bump: 1.66073 Ang R4.O and P5.CD neighbor-bump: 0.824342 Ang R4.C and P5.CD self-bump: 1.35778 Ang P5.N and P5.CD neighbor-bump: 1.69392 Ang R4.CA and P5.CD neighbor-bump: 1.96646 Ang R4.CB and P5.CD neighbor-bump: 1.7611 Ang R4.O and P5.CG neighbor-bump: 1.93699 Ang R4.C and P5.CG neighbor-bump: 3.07979 Ang R4.CA and P5.CG neighbor-bump: 1.93735 Ang R4.O and P5.CB neighbor-bump: 2.36904 Ang R4.C and P5.CB self-bump: 1.27575 Ang R4.CA and R4.CB Number of specific fragments= 1 total=170 # 1sxl.3.2 read from T0180.t2k.frag # found chain 1sxl in template set T0180 3 :GRRPGGGLK 1sxl 3 :YARPGGESI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.78977 Ang R4.CB and P5.CD Number of specific fragments= 1 total=171 # 1sxl.3.4 read from T0180.t2k.frag # found chain 1sxl in template set T0180 3 :GRRPGGGLK 1sxl 5 :RPGGESIKD Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.78305 Ang L9.C and K10.CG neighbor-bump: 2.12861 Ang L9.O and K10.CG self-bump: 1.32481 Ang L9.CA and L9.CB neighbor-bump: 2.2558 Ang R4.CA and P5.CD neighbor-bump: 2.6057 Ang R4.CB and P5.CD neighbor-bump: 2.354 Ang R4.O and P5.CD neighbor-bump: 1.56729 Ang R4.C and P5.CD neighbor-bump: 2.47554 Ang R4.O and P5.CG neighbor-bump: 2.40306 Ang R4.C and P5.CG neighbor-bump: 1.92748 Ang R4.CB and P5.N self-bump: 2.10657 Ang R4.CB and R4.C Number of specific fragments= 1 total=172 # 1k42A.3.3 read from T0180.t2k.frag # found chain 1k42A in template set T0180 3 :GRRPGGGLK 1k42A 4 :ANINGGFES Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89363 Ang R3.NE and G6.C other bump:3.18651 Ang R3.CD and G6.CA other bump:2.33183 Ang R3.NE and G6.CA other bump:3.14842 Ang R3.CZ and G6.CA self-bump: 1.31413 Ang P5.N and P5.CD neighbor-bump: 2.30377 Ang R4.O and P5.CD neighbor-bump: 2.46703 Ang R4.CB and P5.CD neighbor-bump: 2.35425 Ang R4.CG and P5.CD neighbor-bump: 1.93876 Ang R4.CA and P5.CD neighbor-bump: 1.36128 Ang R4.C and P5.CD self-bump: 2.18208 Ang P5.N and P5.CG neighbor-bump: 2.94655 Ang R4.CG and P5.CG neighbor-bump: 2.35886 Ang R4.C and P5.CG neighbor-bump: 2.31609 Ang R4.O and P5.CB neighbor-bump: 2.48706 Ang R4.C and P5.CB Number of specific fragments= 1 total=173 # 1gl1I.3.3 read from T0180.t2k.frag # found chain 1gl1I in template set T0180 3 :GRRPGGGLK 1gl1I 4 :CEPGKTFKD Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01397 Ang K10.CG and G11.CA neighbor-bump: 2.45001 Ang K10.CB and G11.N neighbor-bump: 1.9979 Ang K10.CG and G11.N self-bump: 2.20636 Ang K10.CB and K10.C neighbor-bump: 2.03958 Ang R4.O and P5.CD neighbor-bump: 1.11171 Ang R4.C and P5.CD self-bump: 1.33176 Ang P5.N and P5.CD neighbor-bump: 1.77463 Ang R4.CA and P5.CD neighbor-bump: 2.19034 Ang R4.CB and P5.CD neighbor-bump: 2.499 Ang R4.O and P5.CG neighbor-bump: 2.2461 Ang R4.C and P5.CG self-bump: 2.19546 Ang P5.N and P5.CG neighbor-bump: 3.19147 Ang R4.CA and P5.CG neighbor-bump: 2.53991 Ang R4.C and P5.CB Number of specific fragments= 1 total=174 # 1sxl.4.4 read from T0180.t2k.frag # found chain 1sxl in template set T0180 4 :RRPGGGLKD 1sxl 5 :RPGGESIKD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.2956 Ang P4.CB and G5.N self-bump: 1.32314 Ang P4.N and P4.CD neighbor-bump: 2.12843 Ang R3.C and P4.CD neighbor-bump: 2.43129 Ang R3.CA and P4.CD self-bump: 2.20582 Ang P4.N and P4.CG Number of specific fragments= 1 total=175 # 1pmc.4.4 read from T0180.t2k.frag # found chain 1pmc in template set T0180 4 :RRPGGGLKD 1pmc 5 :EPGKTFKDK Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.31197 Ang K9.CA and K9.CB neighbor-bump: 1.66073 Ang R3.O and P4.CD neighbor-bump: 0.824342 Ang R3.C and P4.CD self-bump: 1.35778 Ang P4.N and P4.CD neighbor-bump: 1.69392 Ang R3.CA and P4.CD neighbor-bump: 1.96646 Ang R3.CB and P4.CD neighbor-bump: 1.7611 Ang R3.O and P4.CG neighbor-bump: 1.93699 Ang R3.C and P4.CG neighbor-bump: 3.07979 Ang R3.CA and P4.CG neighbor-bump: 1.93735 Ang R3.O and P4.CB neighbor-bump: 2.36904 Ang R3.C and P4.CB self-bump: 1.27575 Ang R3.CA and R3.CB Number of specific fragments= 1 total=176 # 1sxl.4.5 read from T0180.t2k.frag # found chain 1sxl in template set T0180 4 :RRPGGGLKD 1sxl 6 :PGGESIKDT Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41579 Ang R2.CG and D10.OD2 other bump:2.39931 Ang R2.CG and D10.OD1 other bump:2.06767 Ang R2.NE and D10.OD1 other bump:2.49983 Ang R2.CG and D10.CG neighbor-bump: 2.42714 Ang L8.O and K9.CG self-bump: 1.32481 Ang L8.CA and L8.CB neighbor-bump: 2.6057 Ang R3.CB and P4.CD neighbor-bump: 2.2558 Ang R3.CA and P4.CD neighbor-bump: 2.354 Ang R3.O and P4.CD neighbor-bump: 1.56729 Ang R3.C and P4.CD neighbor-bump: 2.47554 Ang R3.O and P4.CG neighbor-bump: 2.40306 Ang R3.C and P4.CG neighbor-bump: 1.92748 Ang R3.CB and P4.N self-bump: 2.10657 Ang R3.CB and R3.C Number of specific fragments= 1 total=177 # 1sxl.4.3 read from T0180.t2k.frag # found chain 1sxl in template set T0180 4 :RRPGGGLKD 1sxl 4 :ARPGGESIK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.349 Ang D10.CA and D10.CB neighbor-bump: 2.78977 Ang R3.CB and P4.CD Number of specific fragments= 1 total=178 # 1k42A.4.4 read from T0180.t2k.frag # found chain 1k42A in template set T0180 4 :RRPGGGLKD 1k42A 5 :NINGGFEST Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.96299 Ang R2.NE and G5.C other bump:3.14704 Ang R2.CZ and G5.CA other bump:2.80454 Ang R2.CD and G5.CA other bump:2.09242 Ang R2.NE and G5.CA neighbor-bump: 2.30376 Ang R3.O and P4.CD neighbor-bump: 1.36128 Ang R3.C and P4.CD self-bump: 1.31413 Ang P4.N and P4.CD neighbor-bump: 2.37608 Ang R3.CB and P4.CD neighbor-bump: 1.93876 Ang R3.CA and P4.CD neighbor-bump: 2.35886 Ang R3.C and P4.CG self-bump: 2.18208 Ang P4.N and P4.CG neighbor-bump: 2.31609 Ang R3.O and P4.CB neighbor-bump: 2.48706 Ang R3.C and P4.CB neighbor-bump: 2.3891 Ang R2.O and R3.CZ Number of specific fragments= 1 total=179 # 1ji8A.4.4 read from T0180.t2k.frag # adding 1ji8A to template set 1ji8A:# found chain 1ji8A in template set T0180 4 :RRPGGGLKD 1ji8A 5 :CPGEYQVDG Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.68411 Ang K9.C and D10.CB neighbor-bump: 1.52934 Ang R3.C and P4.CD neighbor-bump: 2.34274 Ang R3.O and P4.CD neighbor-bump: 2.18403 Ang R3.CA and P4.CD other bump:2.55761 Ang G1.O and P4.CD other bump:2.30558 Ang R2.CA and P4.CD neighbor-bump: 2.4146 Ang R3.C and P4.CG neighbor-bump: 2.53904 Ang R3.O and P4.CG other bump:1.3786 Ang G1.O and P4.CG other bump:2.40244 Ang G1.C and P4.CG other bump:2.96775 Ang R2.N and P4.CG other bump:2.80709 Ang R2.CA and P4.CG other bump:2.62213 Ang G1.O and P4.CB neighbor-bump: 3.13203 Ang R2.CG and R3.CA neighbor-bump: 2.77158 Ang R2.CA and R3.CA Number of specific fragments= 1 total=180 # 1sxl.5.5 read from T0180.t2k.frag # found chain 1sxl in template set T0180 5 :RPGGGLKDT 1sxl 6 :PGGESIKDT Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52329 Ang R2.CG and T10.CG2 neighbor-bump: 2.29561 Ang P3.CB and G4.N neighbor-bump: 2.12843 Ang R2.C and P3.CD self-bump: 1.32314 Ang P3.N and P3.CD neighbor-bump: 2.43129 Ang R2.CA and P3.CD self-bump: 2.20582 Ang P3.N and P3.CG Number of specific fragments= 1 total=181 # 1pmc.5.5 read from T0180.t2k.frag # found chain 1pmc in template set T0180 5 :RPGGGLKDT 1pmc 6 :PGKTFKDKC Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.31197 Ang K8.CA and K8.CB neighbor-bump: 1.66073 Ang R2.O and P3.CD neighbor-bump: 1.69392 Ang R2.CA and P3.CD neighbor-bump: 2.28824 Ang R2.CB and P3.CD neighbor-bump: 0.824339 Ang R2.C and P3.CD self-bump: 1.35777 Ang P3.N and P3.CD neighbor-bump: 1.76111 Ang R2.O and P3.CG neighbor-bump: 3.07979 Ang R2.CA and P3.CG neighbor-bump: 2.96238 Ang R2.CB and P3.CG neighbor-bump: 1.93699 Ang R2.C and P3.CG neighbor-bump: 1.93735 Ang R2.O and P3.CB neighbor-bump: 2.36904 Ang R2.C and P3.CB Number of specific fragments= 1 total=182 # 1k42A.5.5 read from T0180.t2k.frag # found chain 1k42A in template set T0180 5 :RPGGGLKDT 1k42A 6 :INGGFESTP Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.31413 Ang P3.N and P3.CD neighbor-bump: 1.93876 Ang R2.CA and P3.CD neighbor-bump: 2.46703 Ang R2.CB and P3.CD neighbor-bump: 2.35425 Ang R2.CG and P3.CD neighbor-bump: 2.30376 Ang R2.O and P3.CD neighbor-bump: 1.36128 Ang R2.C and P3.CD self-bump: 2.18208 Ang P3.N and P3.CG neighbor-bump: 2.94655 Ang R2.CG and P3.CG neighbor-bump: 2.35886 Ang R2.C and P3.CG neighbor-bump: 2.31609 Ang R2.O and P3.CB neighbor-bump: 2.48706 Ang R2.C and P3.CB Number of specific fragments= 1 total=183 # 1sxl.5.4 read from T0180.t2k.frag # found chain 1sxl in template set T0180 5 :RPGGGLKDT 1sxl 5 :RPGGESIKD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.27307 Ang D9.O and T10.OG1 self-bump: 2.1579 Ang D9.CB and D9.C self-bump: 1.25629 Ang D9.CA and D9.CB neighbor-bump: 2.78977 Ang R2.CB and P3.CD Number of specific fragments= 1 total=184 # 1sxl.5.6 read from T0180.t2k.frag # found chain 1sxl in template set T0180 5 :RPGGGLKDT 1sxl 7 :GGESIKDTN Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42714 Ang L7.O and K8.CG self-bump: 1.32481 Ang L7.CA and L7.CB neighbor-bump: 2.70244 Ang R2.CB and P3.CD neighbor-bump: 2.2558 Ang R2.CA and P3.CD neighbor-bump: 2.354 Ang R2.O and P3.CD neighbor-bump: 1.56729 Ang R2.C and P3.CD neighbor-bump: 2.47554 Ang R2.O and P3.CG neighbor-bump: 2.40306 Ang R2.C and P3.CG neighbor-bump: 2.28338 Ang R2.CB and P3.N Number of specific fragments= 1 total=185 # 1b4rA.5.5 read from T0180.t2k.frag # adding 1b4rA to template set 1b4rA:# found chain 1b4rA in template set T0180 5 :RPGGGLKDT 1b4rA 13 :PHGPLASGQ Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2718 Ang L7.O and T10.OG1 other bump:2.39006 Ang G1.O and P3.CD other bump:2.89767 Ang G1.C and P3.CD neighbor-bump: 2.1789 Ang R2.CA and P3.CD neighbor-bump: 2.13837 Ang R2.O and P3.CD neighbor-bump: 1.42358 Ang R2.C and P3.CD neighbor-bump: 2.65685 Ang R2.C and P3.CG Number of specific fragments= 1 total=186 # 1sxl.6.6 read from T0180.t2k.frag # found chain 1sxl in template set T0180 6 :PGGGLKDTK 1sxl 7 :GGESIKDTN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.29561 Ang P2.CB and G3.N neighbor-bump: 2.12843 Ang G1.C and P2.CD self-bump: 1.32314 Ang P2.N and P2.CD self-bump: 2.20582 Ang P2.N and P2.CG Number of specific fragments= 1 total=187 # 1pmc.6.6 read from T0180.t2k.frag # found chain 1pmc in template set T0180 6 :PGGGLKDTK 1pmc 7 :GKTFKDKCN Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.31197 Ang K7.CA and K7.CB neighbor-bump: 0.809598 Ang G1.O and P2.CD neighbor-bump: 0.474064 Ang G1.C and P2.CD neighbor-bump: 1.17035 Ang G1.O and P2.CG neighbor-bump: 1.68348 Ang G1.C and P2.CG self-bump: 2.19904 Ang P2.N and P2.CG neighbor-bump: 2.18456 Ang G1.O and P2.CB neighbor-bump: 2.56706 Ang G1.C and P2.CB Number of specific fragments= 1 total=188 # 1k42A.6.6 read from T0180.t2k.frag # found chain 1k42A in template set T0180 6 :PGGGLKDTK 1k42A 7 :NGGFESTPA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.2486 Ang P2.CA and P2.CD neighbor-bump: 1.45192 Ang G1.O and P2.CD neighbor-bump: 1.18037 Ang G1.C and P2.CD neighbor-bump: 2.57443 Ang G1.C and P2.CG Number of specific fragments= 1 total=189 # 1b4rA.6.6 read from T0180.t2k.frag # found chain 1b4rA in template set T0180 6 :PGGGLKDTK 1b4rA 14 :HGPLASGQL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2718 Ang L6.O and T9.OG1 neighbor-bump: 2.06777 Ang G1.O and P2.CD neighbor-bump: 1.3204 Ang G1.C and P2.CD neighbor-bump: 2.58964 Ang G1.C and P2.CG Number of specific fragments= 1 total=190 # 1ji8A.6.6 read from T0180.t2k.frag # found chain 1ji8A in template set T0180 6 :PGGGLKDTK 1ji8A 7 :GEYQVDGKK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58608 Ang L6.O and T9.CB neighbor-bump: 2.68412 Ang K7.C and D8.CB neighbor-bump: 1.81626 Ang G1.C and P2.CD Number of specific fragments= 1 total=191 # 1k42A.6.5 read from T0180.t2k.frag # found chain 1k42A in template set T0180 6 :PGGGLKDTK 1k42A 6 :INGGFESTP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38497 Ang K7.CA and K7.CB Number of specific fragments= 1 total=192 # 1sxl.7.7 read from T0180.t2k.frag # found chain 1sxl in template set T0180 7 :GGGLKDTKP 1sxl 8 :GESIKDTNL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=193 # 1pmc.7.7 read from T0180.t2k.frag # found chain 1pmc in template set T0180 7 :GGGLKDTKP 1pmc 8 :KTFKDKCNT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.01367 Ang K9.C and P10.CD neighbor-bump: 2.18065 Ang K9.CB and P10.N self-bump: 1.31197 Ang K6.CA and K6.CB Number of specific fragments= 1 total=194 # 1ji8A.7.7 read from T0180.t2k.frag # found chain 1ji8A in template set T0180 7 :GGGLKDTKP 1ji8A 8 :EYQVDGKKV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.29301 Ang G3.O and P10.CD other bump:3.09418 Ang G3.C and P10.CG other bump:2.58608 Ang L5.O and T8.CB neighbor-bump: 2.68412 Ang K6.C and D7.CB Number of specific fragments= 1 total=195 # 1b4rA.7.7 read from T0180.t2k.frag # found chain 1b4rA in template set T0180 7 :GGGLKDTKP 1b4rA 15 :GPLASGQLA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2718 Ang L5.O and T8.OG1 Number of specific fragments= 1 total=196 # 1k42A.7.7 read from T0180.t2k.frag # found chain 1k42A in template set T0180 7 :GGGLKDTKP 1k42A 8 :GGFESTPAG Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.04179 Ang K9.O and P10.CD neighbor-bump: 0.608115 Ang K9.C and P10.CD other bump:2.08511 Ang T8.O and P10.CD other bump:2.57094 Ang T8.C and P10.CD neighbor-bump: 2.5087 Ang K9.N and P10.CD neighbor-bump: 1.85738 Ang K9.CA and P10.CD neighbor-bump: 1.46094 Ang K9.O and P10.CG neighbor-bump: 2.02631 Ang K9.C and P10.CG other bump:2.34536 Ang T8.O and P10.CG other bump:3.22147 Ang T8.C and P10.CG neighbor-bump: 2.14106 Ang K9.O and P10.CB neighbor-bump: 2.57784 Ang K9.C and P10.CB Number of specific fragments= 1 total=197 # 1k42A.7.6 read from T0180.t2k.frag # found chain 1k42A in template set T0180 7 :GGGLKDTKP 1k42A 7 :NGGFESTPA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38497 Ang K6.CA and K6.CB Number of specific fragments= 1 total=198 # 1sxl.8.8 read from T0180.t2k.frag # found chain 1sxl in template set T0180 8 :GGLKDTKPV 1sxl 9 :ESIKDTNLY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=199 # 1pmc.8.8 read from T0180.t2k.frag # found chain 1pmc in template set T0180 8 :GGLKDTKPV 1pmc 9 :TFKDKCNTC Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36432 Ang K5.CE and V10.CG1 other bump:2.89957 Ang K5.NZ and V10.CG1 neighbor-bump: 1.82812 Ang K8.C and P9.CD neighbor-bump: 2.82882 Ang K8.CB and P9.CD neighbor-bump: 2.5358 Ang K8.C and P9.CG neighbor-bump: 2.18065 Ang K8.CB and P9.N self-bump: 1.31197 Ang K5.CA and K5.CB Number of specific fragments= 1 total=200 # 1ji8A.8.8 read from T0180.t2k.frag # found chain 1ji8A in template set T0180 8 :GGLKDTKPV 1ji8A 9 :YQVDGKKVI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58608 Ang L4.O and T7.CB neighbor-bump: 2.68412 Ang K5.C and D6.CB Number of specific fragments= 1 total=201 # 1aj2.8.8 read from T0180.t2k.frag # found chain 1aj2 in training set T0180 8 :GGLKDTKPV 1aj2 9 :SLDLSHPHV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.34314 Ang L4.CG and D6.OD2 other bump:2.51976 Ang L4.CD1 and D6.OD2 other bump:2.5531 Ang L4.CD2 and D6.OD2 Number of specific fragments= 1 total=202 # 1aj0.8.8 read from T0180.t2k.frag # adding 1aj0 to template set 1aj0:# found chain 1aj0 in template set T0180 8 :GGLKDTKPV 1aj0 9 :SLDLSHPHV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.59672 Ang L4.CG and D6.OD2 other bump:1.91419 Ang L4.CD1 and D6.OD2 other bump:1.83795 Ang L4.CD2 and D6.OD2 other bump:2.96318 Ang L4.CD1 and D6.OD1 other bump:2.65254 Ang L4.CG and D6.CG other bump:2.69609 Ang L4.CD1 and D6.CG Number of specific fragments= 1 total=203 # 2i1b.8.8 read from T0180.t2k.frag # found chain 2i1b in training set T0180 8 :GGLKDTKPV 2i1b 9 :TLRDSQQKS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.96907 Ang L4.CD2 and V10.CG1 other bump:3.06998 Ang L4.CD2 and V10.CA Number of specific fragments= 1 total=204 # 1sxl.9.9 read from T0180.t2k.frag # found chain 1sxl in template set T0180 9 :GLKDTKPVV 1sxl 10 :SIKDTNLYV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=205 # 1pmc.9.9 read from T0180.t2k.frag # found chain 1pmc in template set T0180 9 :GLKDTKPVV 1pmc 10 :FKDKCNTCR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.44672 Ang K4.CE and V9.CG2 other bump:3.28321 Ang K4.NZ and V9.CG1 neighbor-bump: 2.82882 Ang K7.CB and P8.CD neighbor-bump: 1.82812 Ang K7.C and P8.CD neighbor-bump: 2.5358 Ang K7.C and P8.CG neighbor-bump: 2.18065 Ang K7.CB and P8.N self-bump: 1.31197 Ang K4.CA and K4.CB Number of specific fragments= 1 total=206 # 1aj2.9.9 read from T0180.t2k.frag # found chain 1aj2 in training set T0180 9 :GLKDTKPVV 1aj2 10 :LDLSHPHVM Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.34314 Ang L3.CG and D5.OD2 other bump:2.51976 Ang L3.CD1 and D5.OD2 other bump:2.5531 Ang L3.CD2 and D5.OD2 Number of specific fragments= 1 total=207 # 1aj0.9.9 read from T0180.t2k.frag # found chain 1aj0 in template set T0180 9 :GLKDTKPVV 1aj0 10 :LDLSHPHVM Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.59672 Ang L3.CG and D5.OD2 other bump:1.91419 Ang L3.CD1 and D5.OD2 other bump:1.83795 Ang L3.CD2 and D5.OD2 other bump:2.96318 Ang L3.CD1 and D5.OD1 other bump:2.65254 Ang L3.CG and D5.CG other bump:2.69609 Ang L3.CD1 and D5.CG Number of specific fragments= 1 total=208 # 1fb6A.9.13 read from T0180.t2k.frag # adding 1fb6A to template set 1fb6A:# found chain 1fb6A in template set T0180 9 :GLKDTKPVV 1fb6A 21 :VLESEVPVM Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.10716 Ang D5.OD2 and V9.CG2 other bump:2.37284 Ang D5.CG and K7.O other bump:2.0572 Ang D5.OD2 and K7.O Number of specific fragments= 1 total=209 # 1ji8A.9.9 read from T0180.t2k.frag # found chain 1ji8A in template set T0180 9 :GLKDTKPVV 1ji8A 10 :QVDGKKVIL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58608 Ang L3.O and T6.CB neighbor-bump: 2.68412 Ang K4.C and D5.CB Number of specific fragments= 1 total=210 # 1fb6A.10.14 read from T0180.t2k.frag # found chain 1fb6A in template set T0180 10 :LKDTKPVVV 1fb6A 22 :LESEVPVMV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.10716 Ang D4.OD2 and V8.CG2 other bump:2.37284 Ang D4.CG and K6.O other bump:2.0572 Ang D4.OD2 and K6.O Number of specific fragments= 1 total=211 # 1aj2.10.10 read from T0180.t2k.frag # found chain 1aj2 in training set T0180 10 :LKDTKPVVV 1aj2 11 :DLSHPHVMG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.34314 Ang L2.CG and D4.OD2 other bump:2.5531 Ang L2.CD2 and D4.OD2 other bump:2.51976 Ang L2.CD1 and D4.OD2 Number of specific fragments= 1 total=212 # 1aj0.10.10 read from T0180.t2k.frag # found chain 1aj0 in template set T0180 10 :LKDTKPVVV 1aj0 11 :DLSHPHVMG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.59672 Ang L2.CG and D4.OD2 other bump:1.83794 Ang L2.CD2 and D4.OD2 other bump:1.91419 Ang L2.CD1 and D4.OD2 other bump:2.96318 Ang L2.CD1 and D4.OD1 other bump:2.65254 Ang L2.CG and D4.CG other bump:2.69609 Ang L2.CD1 and D4.CG Number of specific fragments= 1 total=213 # 1sxl.10.10 read from T0180.t2k.frag # found chain 1sxl in template set T0180 10 :LKDTKPVVV 1sxl 11 :IKDTNLYVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=214 # 1aj2.10.12 read from T0180.t2k.frag # found chain 1aj2 in training set T0180 10 :LKDTKPVVV 1aj2 13 :SHPHVMGIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=215 # 1aj0.10.12 read from T0180.t2k.frag # found chain 1aj0 in template set T0180 10 :LKDTKPVVV 1aj0 13 :SHPHVMGIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=216 # 1fb6A.11.15 read from T0180.t2k.frag # found chain 1fb6A in template set T0180 11 :KDTKPVVVR 1fb6A 23 :ESEVPVMVD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.10717 Ang D3.OD2 and V7.CG2 other bump:2.37283 Ang D3.CG and K5.O other bump:2.0572 Ang D3.OD2 and K5.O Number of specific fragments= 1 total=217 # 1aj0.11.11 read from T0180.t2k.frag # found chain 1aj0 in template set T0180 11 :KDTKPVVVR 1aj0 12 :LSHPHVMGI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=218 # 1aj2.11.11 read from T0180.t2k.frag # found chain 1aj2 in training set T0180 11 :KDTKPVVVR 1aj2 12 :LSHPHVMGI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=219 # 2bjxA.11.15 read from T0180.t2k.frag # adding 2bjxA to template set 2bjxA:# found chain 2bjxA in template set T0180 11 :KDTKPVVVR 2bjxA 134 :ESSEVAVIG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73278 Ang V8.CG2 and R10.NH1 neighbor-bump: 3.06937 Ang V8.C and V9.CG1 neighbor-bump: 2.47067 Ang K5.CG and P6.CD neighbor-bump: 2.19558 Ang K5.O and P6.CD neighbor-bump: 1.88874 Ang K5.C and P6.CD neighbor-bump: 2.35764 Ang K5.O and P6.CG neighbor-bump: 2.71174 Ang K5.C and P6.CG self-bump: 1.23858 Ang P6.CA and P6.CB Number of specific fragments= 1 total=220 # 1bjx.11.15 read from T0180.t2k.frag # adding 1bjx to template set 1bjx:# found chain 1bjx in template set T0180 11 :KDTKPVVVR 1bjx 134 :ESSEVAVIG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73278 Ang V8.CG2 and R10.NH1 neighbor-bump: 3.06937 Ang V8.C and V9.CG1 neighbor-bump: 2.47067 Ang K5.CG and P6.CD neighbor-bump: 2.19558 Ang K5.O and P6.CD neighbor-bump: 1.88874 Ang K5.C and P6.CD neighbor-bump: 2.35764 Ang K5.O and P6.CG neighbor-bump: 2.71174 Ang K5.C and P6.CG self-bump: 1.23858 Ang P6.CA and P6.CB Number of specific fragments= 1 total=221 # 1aj2.11.13 read from T0180.t2k.frag # found chain 1aj2 in training set T0180 11 :KDTKPVVVR 1aj2 14 :HPHVMGILN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=222 # 1fb6A.12.16 read from T0180.t2k.frag # found chain 1fb6A in template set T0180 12 :DTKPVVVRL 1fb6A 24 :SEVPVMVDF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55831 Ang D2.OD1 and K4.C other bump:2.66083 Ang D2.CG and K4.O other bump:1.85243 Ang D2.OD1 and K4.O other bump:2.73344 Ang D2.OD1 and K4.CA other bump:2.1668 Ang D2.OD1 and K4.N Number of specific fragments= 1 total=223 # 2bjxA.12.16 read from T0180.t2k.frag # found chain 2bjxA in template set T0180 12 :DTKPVVVRL 2bjxA 135 :SSEVAVIGF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.06937 Ang V7.C and V8.CG1 neighbor-bump: 2.47067 Ang K4.CG and P5.CD neighbor-bump: 2.19558 Ang K4.O and P5.CD neighbor-bump: 1.88874 Ang K4.C and P5.CD neighbor-bump: 2.35764 Ang K4.O and P5.CG neighbor-bump: 2.71174 Ang K4.C and P5.CG self-bump: 1.23858 Ang P5.CA and P5.CB neighbor-bump: 2.69316 Ang D2.OD1 and T3.CG2 Number of specific fragments= 1 total=224 # 1bjx.12.16 read from T0180.t2k.frag # found chain 1bjx in template set T0180 12 :DTKPVVVRL 1bjx 135 :SSEVAVIGF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.06937 Ang V7.C and V8.CG1 neighbor-bump: 2.47067 Ang K4.CG and P5.CD neighbor-bump: 2.19558 Ang K4.O and P5.CD neighbor-bump: 1.88874 Ang K4.C and P5.CD neighbor-bump: 2.35764 Ang K4.O and P5.CG neighbor-bump: 2.71174 Ang K4.C and P5.CG self-bump: 1.23858 Ang P5.CA and P5.CB neighbor-bump: 2.69316 Ang D2.OD1 and T3.CG2 Number of specific fragments= 1 total=225 # 1aj0.12.12 read from T0180.t2k.frag # found chain 1aj0 in template set T0180 12 :DTKPVVVRL 1aj0 13 :SHPHVMGIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.57107 Ang D2.OD1 and T3.CG2 Number of specific fragments= 1 total=226 # 1aj2.12.12 read from T0180.t2k.frag # found chain 1aj2 in training set T0180 12 :DTKPVVVRL 1aj2 13 :SHPHVMGIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.81852 Ang D2.OD1 and T3.CG2 Number of specific fragments= 1 total=227 # 1qgvA.12.21 read from T0180.t2k.frag # adding 1qgvA to template set 1qgvA:# found chain 1qgvA in template set T0180 12 :DTKPVVVRL 1qgvA 22 :EDRVVVIRF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=228 # 1fb6A.13.17 read from T0180.t2k.frag # found chain 1fb6A in template set T0180 13 :TKPVVVRLY 1fb6A 25 :EVPVMVDFW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=229 # 1bjx.13.17 read from T0180.t2k.frag # found chain 1bjx in template set T0180 13 :TKPVVVRLY 1bjx 136 :SEVAVIGFF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.96056 Ang R8.CD and Y10.CE2 neighbor-bump: 3.06937 Ang V6.C and V7.CG1 neighbor-bump: 2.47067 Ang K3.CG and P4.CD neighbor-bump: 2.19558 Ang K3.O and P4.CD neighbor-bump: 1.88874 Ang K3.C and P4.CD neighbor-bump: 2.35764 Ang K3.O and P4.CG neighbor-bump: 2.71174 Ang K3.C and P4.CG self-bump: 1.23858 Ang P4.CA and P4.CB Number of specific fragments= 1 total=230 # 2bjxA.13.17 read from T0180.t2k.frag # found chain 2bjxA in template set T0180 13 :TKPVVVRLY 2bjxA 136 :SEVAVIGFF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.96056 Ang R8.CD and Y10.CE2 neighbor-bump: 3.06937 Ang V6.C and V7.CG1 neighbor-bump: 2.47067 Ang K3.CG and P4.CD neighbor-bump: 2.19558 Ang K3.O and P4.CD neighbor-bump: 1.88874 Ang K3.C and P4.CD neighbor-bump: 2.35764 Ang K3.O and P4.CG neighbor-bump: 2.71174 Ang K3.C and P4.CG self-bump: 1.23858 Ang P4.CA and P4.CB Number of specific fragments= 1 total=231 # 1qgvA.13.22 read from T0180.t2k.frag # found chain 1qgvA in template set T0180 13 :TKPVVVRLY 1qgvA 23 :DRVVVIRFG Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.92458 Ang Y10.CD2 and G11.N other bump:2.09577 Ang R8.CZ and Y10.OH other bump:0.946699 Ang R8.NH2 and Y10.OH other bump:2.22162 Ang R8.NE and Y10.CZ other bump:1.49397 Ang R8.CZ and Y10.CZ other bump:1.41388 Ang R8.NH2 and Y10.CZ other bump:2.23075 Ang R8.NH1 and Y10.CZ other bump:2.73281 Ang R8.CZ and Y10.CE2 other bump:2.72538 Ang R8.NH2 and Y10.CE2 other bump:3.03428 Ang R8.NH1 and Y10.CE2 other bump:1.04682 Ang R8.NE and Y10.CE1 other bump:0.756397 Ang R8.CZ and Y10.CE1 other bump:1.86157 Ang R8.NH2 and Y10.CE1 other bump:1.54783 Ang R8.NH1 and Y10.CE1 other bump:2.0193 Ang R8.CD and Y10.CE1 other bump:1.80531 Ang R8.NE and Y10.CD1 other bump:2.05893 Ang R8.CZ and Y10.CD1 other bump:2.03027 Ang R8.NH1 and Y10.CD1 other bump:1.59974 Ang R8.CD and Y10.CD1 other bump:2.8672 Ang R8.CD and Y10.CG Number of specific fragments= 1 total=232 # 1aj0.13.15 read from T0180.t2k.frag # found chain 1aj0 in template set T0180 13 :TKPVVVRLY 1aj0 16 :HVMGILNVT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64568 Ang R8.NE and Y10.CE1 other bump:3.0838 Ang R8.NE and Y10.CD1 Number of specific fragments= 1 total=233 # 1aj2.13.15 read from T0180.t2k.frag # found chain 1aj2 in training set T0180 13 :TKPVVVRLY 1aj2 16 :HVMGILNVT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57085 Ang R8.NE and Y10.CE1 other bump:3.03552 Ang R8.CZ and Y10.CE1 other bump:2.8796 Ang R8.NH2 and Y10.CE1 other bump:3.09023 Ang R8.NE and Y10.CD1 Number of specific fragments= 1 total=234 # 1fb6A.14.18 read from T0180.t2k.frag # found chain 1fb6A in template set T0180 14 :KPVVVRLYP 1fb6A 26 :VPVMVDFWA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.75039 Ang Y9.C and P10.CD neighbor-bump: 2.47166 Ang Y9.CA and P10.CD Number of specific fragments= 1 total=235 # 1aj0.14.16 read from T0180.t2k.frag # found chain 1aj0 in template set T0180 14 :KPVVVRLYP 1aj0 17 :VMGILNVTP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64568 Ang R7.NE and Y9.CE1 other bump:3.0838 Ang R7.NE and Y9.CD1 Number of specific fragments= 1 total=236 # 1aj2.14.16 read from T0180.t2k.frag # found chain 1aj2 in training set T0180 14 :KPVVVRLYP 1aj2 17 :VMGILNVTP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57086 Ang R7.NE and Y9.CE1 other bump:3.03552 Ang R7.CZ and Y9.CE1 other bump:2.8796 Ang R7.NH2 and Y9.CE1 other bump:3.09023 Ang R7.NE and Y9.CD1 Number of specific fragments= 1 total=237 # 2bjxA.14.18 read from T0180.t2k.frag # found chain 2bjxA in template set T0180 14 :KPVVVRLYP 2bjxA 137 :EVAVIGFFK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.96057 Ang R7.CD and Y9.CE2 neighbor-bump: 3.06937 Ang V5.C and V6.CG1 neighbor-bump: 2.8071 Ang K2.CB and P3.CD Number of specific fragments= 1 total=238 # 1bjx.14.18 read from T0180.t2k.frag # found chain 1bjx in template set T0180 14 :KPVVVRLYP 1bjx 137 :EVAVIGFFK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.96057 Ang R7.CD and Y9.CE2 neighbor-bump: 3.06937 Ang V5.C and V6.CG1 neighbor-bump: 2.8071 Ang K2.CB and P3.CD Number of specific fragments= 1 total=239 # 1qgvA.14.23 read from T0180.t2k.frag # found chain 1qgvA in template set T0180 14 :KPVVVRLYP 1qgvA 24 :RVVVIRFGH Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00345 Ang Y9.CE1 and G11.CA neighbor-bump: 2.78636 Ang Y9.CD1 and P10.C neighbor-bump: 2.64516 Ang Y9.CD1 and P10.O other bump:2.28455 Ang R7.NE and Y9.OH other bump:1.53982 Ang R7.CZ and Y9.OH other bump:0.473655 Ang R7.NH2 and Y9.OH other bump:1.5466 Ang R7.NE and Y9.CZ other bump:0.812889 Ang R7.CZ and Y9.CZ other bump:1.16489 Ang R7.NH2 and Y9.CZ other bump:1.86781 Ang R7.NH1 and Y9.CZ other bump:0.451397 Ang R7.NE and Y9.CE2 other bump:1.22538 Ang R7.CZ and Y9.CE2 other bump:2.31506 Ang R7.NH2 and Y9.CE2 other bump:2.0476 Ang R7.NH1 and Y9.CE2 other bump:2.61746 Ang R7.CG and Y9.CE2 other bump:1.43981 Ang R7.CD and Y9.CE2 other bump:2.73983 Ang R7.NE and Y9.CE1 other bump:1.94195 Ang R7.CZ and Y9.CE1 other bump:2.0323 Ang R7.NH2 and Y9.CE1 other bump:2.20072 Ang R7.NH1 and Y9.CE1 other bump:1.74267 Ang R7.NE and Y9.CD2 other bump:2.32958 Ang R7.CZ and Y9.CD2 other bump:2.48756 Ang R7.NH1 and Y9.CD2 other bump:2.54666 Ang R7.CG and Y9.CD2 other bump:1.29973 Ang R7.CD and Y9.CD2 other bump:3.20168 Ang R7.NE and Y9.CD1 other bump:2.76491 Ang R7.CZ and Y9.CD1 other bump:2.60846 Ang R7.NH1 and Y9.CD1 other bump:2.85431 Ang R7.NE and Y9.CG other bump:2.65733 Ang R7.CD and Y9.CG Number of specific fragments= 1 total=240 # 1fb6A.15.19 read from T0180.t2k.frag # found chain 1fb6A in template set T0180 15 :PVVVRLYPD 1fb6A 27 :PVMVDFWAP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.34982 Ang Y8.CA and P9.CD neighbor-bump: 2.41794 Ang Y8.O and P9.CD neighbor-bump: 1.64838 Ang Y8.C and P9.CD Number of specific fragments= 1 total=241 # 1aj0.15.17 read from T0180.t2k.frag # found chain 1aj0 in template set T0180 15 :PVVVRLYPD 1aj0 18 :MGILNVTPD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64568 Ang R6.NE and Y8.CE1 other bump:3.0838 Ang R6.NE and Y8.CD1 self-bump: 1.36731 Ang P2.CA and P2.CB Number of specific fragments= 1 total=242 # 1aj2.15.17 read from T0180.t2k.frag # found chain 1aj2 in training set T0180 15 :PVVVRLYPD 1aj2 18 :MGILNVTPD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57086 Ang R6.NE and Y8.CE1 other bump:3.03552 Ang R6.CZ and Y8.CE1 other bump:2.8796 Ang R6.NH2 and Y8.CE1 other bump:3.09023 Ang R6.NE and Y8.CD1 self-bump: 1.39121 Ang P2.CA and P2.CB Number of specific fragments= 1 total=243 # 2bjxA.15.19 read from T0180.t2k.frag # found chain 2bjxA in template set T0180 15 :PVVVRLYPD 2bjxA 138 :VAVIGFFKD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.96057 Ang R6.CD and Y8.CE2 neighbor-bump: 3.06937 Ang V4.C and V5.CG1 Number of specific fragments= 1 total=244 # 1bjx.15.19 read from T0180.t2k.frag # found chain 1bjx in template set T0180 15 :PVVVRLYPD 1bjx 138 :VAVIGFFKD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.96057 Ang R6.CD and Y8.CE2 neighbor-bump: 3.06937 Ang V4.C and V5.CG1 Number of specific fragments= 1 total=245 # 1qfeA.15.16 read from T0180.t2k.frag # adding 1qfeA to template set 1qfeA:Skipped atom 1836, because occupancy 0.5 <= existing 0.500001 Skipped atom 1838, because occupancy 0.5 <= existing 0.500001 Skipped atom 1840, because occupancy 0.5 <= existing 0.500001 Skipped atom 1842, because occupancy 0.5 <= existing 0.500001 # found chain 1qfeA in template set T0180 15 :PVVVRLYPD 1qfeA 17 :KIIVSLMGR Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69015 Ang L7.CD2 and P9.CD other bump:2.36739 Ang R6.NE and Y8.OH other bump:2.34468 Ang R6.CG and Y8.OH other bump:1.19481 Ang R6.CD and Y8.OH other bump:2.55667 Ang R6.NH1 and Y8.CZ other bump:2.06586 Ang R6.NE and Y8.CZ other bump:2.65437 Ang R6.CZ and Y8.CZ other bump:1.80637 Ang R6.CG and Y8.CZ other bump:0.973309 Ang R6.CD and Y8.CZ other bump:2.38165 Ang R6.NH1 and Y8.CE2 other bump:2.98463 Ang R6.CZ and Y8.CE2 other bump:3.04677 Ang R6.CG and Y8.CE2 other bump:2.28344 Ang R6.CD and Y8.CE2 other bump:2.50123 Ang R6.NH1 and Y8.CE1 other bump:2.10736 Ang R6.NE and Y8.CE1 other bump:2.57576 Ang R6.CZ and Y8.CE1 other bump:2.32123 Ang R6.CB and Y8.CE1 other bump:0.934881 Ang R6.CG and Y8.CE1 other bump:1.39988 Ang R6.CD and Y8.CE1 other bump:2.08087 Ang R6.NH1 and Y8.CD2 other bump:2.23756 Ang R6.NH1 and Y8.CD1 other bump:2.99584 Ang R6.NE and Y8.CD1 other bump:2.83866 Ang R6.CZ and Y8.CD1 other bump:2.11647 Ang R6.CG and Y8.CD1 other bump:2.70358 Ang R6.CD and Y8.CD1 Number of specific fragments= 1 total=246 # 1aj0.16.18 read from T0180.t2k.frag # found chain 1aj0 in template set T0180 16 :VVVRLYPDE 1aj0 19 :GILNVTPDS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64568 Ang R5.NE and Y7.CE1 other bump:3.0838 Ang R5.NE and Y7.CD1 Number of specific fragments= 1 total=247 # 1aj2.16.18 read from T0180.t2k.frag # found chain 1aj2 in training set T0180 16 :VVVRLYPDE 1aj2 19 :GILNVTPDS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.82893 Ang R5.O and E10.OE2 other bump:2.67002 Ang R5.C and E10.OE2 other bump:2.57086 Ang R5.NE and Y7.CE1 other bump:3.03552 Ang R5.CZ and Y7.CE1 other bump:2.8796 Ang R5.NH2 and Y7.CE1 other bump:3.09023 Ang R5.NE and Y7.CD1 Number of specific fragments= 1 total=248 # 1fb6A.16.20 read from T0180.t2k.frag # found chain 1fb6A in template set T0180 16 :VVVRLYPDE 1fb6A 28 :VMVDFWAPW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.41794 Ang Y7.O and P8.CD neighbor-bump: 1.64838 Ang Y7.C and P8.CD neighbor-bump: 2.34982 Ang Y7.CA and P8.CD Number of specific fragments= 1 total=249 # 2bjxA.16.20 read from T0180.t2k.frag # found chain 2bjxA in template set T0180 16 :VVVRLYPDE 2bjxA 139 :AVIGFFKDV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6262 Ang Y7.CB and E10.OE2 other bump:2.96057 Ang R5.CD and Y7.CE2 neighbor-bump: 3.06937 Ang V3.C and V4.CG1 Number of specific fragments= 1 total=250 # 1bjx.16.20 read from T0180.t2k.frag # found chain 1bjx in template set T0180 16 :VVVRLYPDE 1bjx 139 :AVIGFFKDV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6262 Ang Y7.CB and E10.OE2 other bump:2.96057 Ang R5.CD and Y7.CE2 neighbor-bump: 3.06937 Ang V3.C and V4.CG1 Number of specific fragments= 1 total=251 # 1qfeA.16.17 read from T0180.t2k.frag # found chain 1qfeA in template set T0180 16 :VVVRLYPDE 1qfeA 18 :IIVSLMGRD Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69015 Ang L6.CD2 and P8.CD other bump:2.36739 Ang R5.NE and Y7.OH other bump:2.34468 Ang R5.CG and Y7.OH other bump:1.19481 Ang R5.CD and Y7.OH other bump:2.06586 Ang R5.NE and Y7.CZ other bump:2.65437 Ang R5.CZ and Y7.CZ other bump:2.55667 Ang R5.NH1 and Y7.CZ other bump:1.80637 Ang R5.CG and Y7.CZ other bump:0.973309 Ang R5.CD and Y7.CZ other bump:2.98463 Ang R5.CZ and Y7.CE2 other bump:2.38165 Ang R5.NH1 and Y7.CE2 other bump:3.04677 Ang R5.CG and Y7.CE2 other bump:2.28344 Ang R5.CD and Y7.CE2 other bump:2.10736 Ang R5.NE and Y7.CE1 other bump:2.57576 Ang R5.CZ and Y7.CE1 other bump:2.50123 Ang R5.NH1 and Y7.CE1 other bump:2.32123 Ang R5.CB and Y7.CE1 other bump:0.934881 Ang R5.CG and Y7.CE1 other bump:1.39988 Ang R5.CD and Y7.CE1 other bump:2.08087 Ang R5.NH1 and Y7.CD2 other bump:2.99584 Ang R5.NE and Y7.CD1 other bump:2.83866 Ang R5.CZ and Y7.CD1 other bump:2.23756 Ang R5.NH1 and Y7.CD1 other bump:2.11647 Ang R5.CG and Y7.CD1 other bump:2.70358 Ang R5.CD and Y7.CD1 Number of specific fragments= 1 total=252 # 1qfeA.17.18 read from T0180.t2k.frag # found chain 1qfeA in template set T0180 17 :VVRLYPDEI 1qfeA 19 :IVSLMGRDI Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69015 Ang L5.CD2 and P7.CD other bump:2.36739 Ang R4.NE and Y6.OH other bump:2.34468 Ang R4.CG and Y6.OH other bump:1.19481 Ang R4.CD and Y6.OH other bump:2.65437 Ang R4.CZ and Y6.CZ other bump:2.55667 Ang R4.NH1 and Y6.CZ other bump:2.06586 Ang R4.NE and Y6.CZ other bump:1.80637 Ang R4.CG and Y6.CZ other bump:0.973309 Ang R4.CD and Y6.CZ other bump:2.98463 Ang R4.CZ and Y6.CE2 other bump:2.38165 Ang R4.NH1 and Y6.CE2 other bump:3.04677 Ang R4.CG and Y6.CE2 other bump:2.28344 Ang R4.CD and Y6.CE2 other bump:2.57576 Ang R4.CZ and Y6.CE1 other bump:2.50123 Ang R4.NH1 and Y6.CE1 other bump:2.10736 Ang R4.NE and Y6.CE1 other bump:2.32123 Ang R4.CB and Y6.CE1 other bump:0.934881 Ang R4.CG and Y6.CE1 other bump:1.39988 Ang R4.CD and Y6.CE1 other bump:2.08087 Ang R4.NH1 and Y6.CD2 other bump:2.83866 Ang R4.CZ and Y6.CD1 other bump:2.23756 Ang R4.NH1 and Y6.CD1 other bump:2.99584 Ang R4.NE and Y6.CD1 other bump:2.11647 Ang R4.CG and Y6.CD1 other bump:2.70358 Ang R4.CD and Y6.CD1 Number of specific fragments= 1 total=253 # 1i50A.17.18 read from T0180.t2k.frag # adding 1i50A to template set 1i50A:# found chain 1i50A in template set T0180 17 :VVRLYPDEI 1i50A 19 :FGLFSPEEV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.53916 Ang V3.CG1 and R4.N neighbor-bump: 2.3919 Ang V2.O and V3.CG2 neighbor-bump: 2.76018 Ang V2.C and V3.CG2 Number of specific fragments= 1 total=254 # 1aj0.17.19 read from T0180.t2k.frag # found chain 1aj0 in template set T0180 17 :VVRLYPDEI 1aj0 20 :ILNVTPDSF Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17857 Ang L5.CG and I10.CD1 other bump:1.58372 Ang L5.CD2 and I10.CD1 other bump:2.36729 Ang L5.CA and I10.CD1 other bump:2.01719 Ang L5.CB and I10.CD1 other bump:2.77578 Ang L5.CD2 and I10.CG1 other bump:2.64568 Ang R4.NE and Y6.CE1 other bump:3.0838 Ang R4.NE and Y6.CD1 Number of specific fragments= 1 total=255 # 1aj2.17.19 read from T0180.t2k.frag # found chain 1aj2 in training set T0180 17 :VVRLYPDEI 1aj2 20 :ILNVTPDSF Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43773 Ang L5.CG and I10.CD1 other bump:2.4713 Ang L5.CD2 and I10.CD1 other bump:2.40965 Ang L5.CA and I10.CD1 other bump:1.7525 Ang L5.CB and I10.CD1 other bump:2.17046 Ang R4.O and E9.OE2 other bump:2.57086 Ang R4.NE and Y6.CE1 other bump:3.03552 Ang R4.CZ and Y6.CE1 other bump:2.8796 Ang R4.NH2 and Y6.CE1 other bump:3.09023 Ang R4.NE and Y6.CD1 Number of specific fragments= 1 total=256 # 1fb6A.17.21 read from T0180.t2k.frag # found chain 1fb6A in template set T0180 17 :VVRLYPDEI 1fb6A 29 :MVDFWAPWC Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89569 Ang P7.N and I10.CD1 other bump:2.92763 Ang P7.CB and I10.CD1 other bump:1.45666 Ang P7.CG and I10.CD1 other bump:1.72669 Ang P7.CD and I10.CD1 other bump:2.34758 Ang P7.CG and I10.CG1 other bump:3.07822 Ang P7.CD and I10.CG1 neighbor-bump: 2.41794 Ang Y6.O and P7.CD neighbor-bump: 2.34982 Ang Y6.CA and P7.CD neighbor-bump: 1.64838 Ang Y6.C and P7.CD Number of specific fragments= 1 total=257 # 1idk.17.19 read from T0180.t2k.frag # adding 1idk to template set 1idk:# found chain 1idk in template set T0180 17 :VVRLYPDEI 1idk 20 :ATPVYPDTI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=258 # 1idk.18.20 read from T0180.t2k.frag # found chain 1idk in template set T0180 18 :VRLYPDEIE 1idk 21 :TPVYPDTID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=259 # 1i50A.18.19 read from T0180.t2k.frag # found chain 1i50A in template set T0180 18 :VRLYPDEIE 1i50A 20 :GLFSPEEVR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.53916 Ang V2.CG1 and R3.N neighbor-bump: 2.3919 Ang G1.O and V2.CG2 neighbor-bump: 2.76018 Ang G1.C and V2.CG2 Number of specific fragments= 1 total=260 # 1qfeA.18.19 read from T0180.t2k.frag # found chain 1qfeA in template set T0180 18 :VRLYPDEIE 1qfeA 20 :VSLMGRDIN Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69015 Ang L4.CD2 and P6.CD other bump:2.36739 Ang R3.NE and Y5.OH other bump:1.19481 Ang R3.CD and Y5.OH other bump:2.34468 Ang R3.CG and Y5.OH other bump:2.65437 Ang R3.CZ and Y5.CZ other bump:2.55667 Ang R3.NH1 and Y5.CZ other bump:2.06586 Ang R3.NE and Y5.CZ other bump:0.973309 Ang R3.CD and Y5.CZ other bump:1.80637 Ang R3.CG and Y5.CZ other bump:2.98463 Ang R3.CZ and Y5.CE2 other bump:2.38165 Ang R3.NH1 and Y5.CE2 other bump:2.28344 Ang R3.CD and Y5.CE2 other bump:3.04677 Ang R3.CG and Y5.CE2 other bump:2.57576 Ang R3.CZ and Y5.CE1 other bump:2.50123 Ang R3.NH1 and Y5.CE1 other bump:2.10736 Ang R3.NE and Y5.CE1 other bump:1.39988 Ang R3.CD and Y5.CE1 other bump:2.32123 Ang R3.CB and Y5.CE1 other bump:0.934881 Ang R3.CG and Y5.CE1 other bump:2.08087 Ang R3.NH1 and Y5.CD2 other bump:2.83866 Ang R3.CZ and Y5.CD1 other bump:2.23756 Ang R3.NH1 and Y5.CD1 other bump:2.99584 Ang R3.NE and Y5.CD1 other bump:2.70358 Ang R3.CD and Y5.CD1 other bump:2.11647 Ang R3.CG and Y5.CD1 Number of specific fragments= 1 total=261 # 1b25A.18.19 read from T0180.t2k.frag # adding 1b25A to template set 1b25A:# found chain 1b25A in template set T0180 18 :VRLYPDEIE 1b25A 20 :VQEYPEEVA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.00828 Ang Y5.CZ and E10.OE1 other bump:1.4693 Ang Y5.OH and E10.OE1 other bump:2.10094 Ang Y5.CE2 and E10.OE1 other bump:2.23923 Ang Y5.OH and E10.CD other bump:3.08301 Ang P6.CD and I9.CD1 Number of specific fragments= 1 total=262 # 1sxl.18.22 read from T0180.t2k.frag # found chain 1sxl in template set T0180 18 :VRLYPDEIE 1sxl 23 :RTITDDQLD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3808 Ang P6.CA and P6.CB Number of specific fragments= 1 total=263 # 1hw5A.18.20 read from T0180.t2k.frag # adding 1hw5A to template set 1hw5A:Skipped atom 179, because occupancy 0.5 <= existing 0.500001 Skipped atom 181, because occupancy 0.5 <= existing 0.500001 Skipped atom 183, because occupancy 0.5 <= existing 0.500001 Skipped atom 185, because occupancy 0.5 <= existing 0.500001 Skipped atom 187, because occupancy 0.5 <= existing 0.500001 Skipped atom 302, because occupancy 0.5 <= existing 0.500001 Skipped atom 304, because occupancy 0.5 <= existing 0.500001 Skipped atom 306, because occupancy 0.5 <= existing 0.500001 Skipped atom 308, because occupancy 0.5 <= existing 0.500001 Skipped atom 310, because occupancy 0.5 <= existing 0.500001 Skipped atom 408, because occupancy 0.5 <= existing 0.500001 Skipped atom 410, because occupancy 0.5 <= existing 0.500001 Skipped atom 412, because occupancy 0.5 <= existing 0.500001 Skipped atom 414, because occupancy 0.5 <= existing 0.500001 Skipped atom 649, because occupancy 0.5 <= existing 0.500001 Skipped atom 651, because occupancy 0.5 <= existing 0.500001 Skipped atom 653, because occupancy 0.5 <= existing 0.500001 Skipped atom 655, because occupancy 0.5 <= existing 0.500001 Skipped atom 657, because occupancy 0.5 <= existing 0.500001 Skipped atom 715, because occupancy 0.5 <= existing 0.500001 Skipped atom 717, because occupancy 0.5 <= existing 0.500001 Skipped atom 719, because occupancy 0.5 <= existing 0.500001 Skipped atom 721, because occupancy 0.5 <= existing 0.500001 Skipped atom 723, because occupancy 0.5 <= existing 0.500001 Skipped atom 725, because occupancy 0.5 <= existing 0.500001 Skipped atom 727, because occupancy 0.5 <= existing 0.500001 Skipped atom 1001, because occupancy 0.5 <= existing 0.500001 Skipped atom 1003, because occupancy 0.5 <= existing 0.500001 Skipped atom 1005, because occupancy 0.5 <= existing 0.500001 Skipped atom 1007, because occupancy 0.5 <= existing 0.500001 Skipped atom 1009, because occupancy 0.5 <= existing 0.500001 Skipped atom 1011, because occupancy 0.5 <= existing 0.500001 Skipped atom 1013, because occupancy 0.5 <= existing 0.500001 Skipped atom 1076, because occupancy 0.5 <= existing 0.500001 Skipped atom 1078, because occupancy 0.5 <= existing 0.500001 Skipped atom 1080, 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 Skipped atom 1375, because occupancy 0.5 <= existing 0.500001 Skipped atom 1377, because occupancy 0.5 <= existing 0.500001 Skipped atom 1379, because occupancy 0.5 <= existing 0.500001 Skipped atom 1381, because occupancy 0.5 <= existing 0.500001 Skipped atom 1383, because occupancy 0.5 <= existing 0.500001 Skipped atom 1385, because occupancy 0.5 <= existing 0.500001 Skipped atom 1387, because occupancy 0.5 <= existing 0.500001 Skipped atom 1474, because occupancy 0.5 <= existing 0.500001 Skipped atom 1476, because occupancy 0.5 <= existing 0.500001 Skipped atom 1478, because occupancy 0.5 <= existing 0.500001 Skipped atom 1480, because occupancy 0.5 <= existing 0.500001 Skipped atom 1482, because occupancy 0.5 <= existing 0.500001 # found chain 1hw5A in template set T0180 18 :VRLYPDEIE 1hw5A 20 :IHKYPSKST Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=264 # 1idk.19.21 read from T0180.t2k.frag # found chain 1idk in template set T0180 19 :RLYPDEIEA 1idk 22 :PVYPDTIDE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=265 # 1i50A.19.20 read from T0180.t2k.frag # found chain 1i50A in template set T0180 19 :RLYPDEIEA 1i50A 21 :LFSPEEVRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=266 # 1qfeA.19.20 read from T0180.t2k.frag # found chain 1qfeA in template set T0180 19 :RLYPDEIEA 1qfeA 21 :SLMGRDINS Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03478 Ang P5.CB and G11.CA other bump:2.87736 Ang P5.CG and G11.CA other bump:2.84537 Ang P5.CB and G11.N other bump:3.24214 Ang P5.CB and A10.C other bump:2.69015 Ang L3.CD2 and P5.CD other bump:1.19481 Ang R2.CD and Y4.OH other bump:2.3674 Ang R2.NE and Y4.OH other bump:2.34468 Ang R2.CG and Y4.OH other bump:0.973308 Ang R2.CD and Y4.CZ other bump:2.06586 Ang R2.NE and Y4.CZ other bump:2.65437 Ang R2.CZ and Y4.CZ other bump:2.55667 Ang R2.NH1 and Y4.CZ other bump:1.80637 Ang R2.CG and Y4.CZ other bump:2.28344 Ang R2.CD and Y4.CE2 other bump:2.98463 Ang R2.CZ and Y4.CE2 other bump:2.38164 Ang R2.NH1 and Y4.CE2 other bump:3.04677 Ang R2.CG and Y4.CE2 other bump:1.39988 Ang R2.CD and Y4.CE1 other bump:2.10736 Ang R2.NE and Y4.CE1 other bump:2.57576 Ang R2.CZ and Y4.CE1 other bump:2.50123 Ang R2.NH1 and Y4.CE1 other bump:2.32123 Ang R2.CB and Y4.CE1 other bump:0.93488 Ang R2.CG and Y4.CE1 other bump:2.08087 Ang R2.NH1 and Y4.CD2 other bump:2.70358 Ang R2.CD and Y4.CD1 other bump:2.99583 Ang R2.NE and Y4.CD1 other bump:2.83866 Ang R2.CZ and Y4.CD1 other bump:2.23756 Ang R2.NH1 and Y4.CD1 other bump:2.11647 Ang R2.CG and Y4.CD1 Number of specific fragments= 1 total=267 # 1sxl.19.23 read from T0180.t2k.frag # found chain 1sxl in template set T0180 19 :RLYPDEIEA 1sxl 24 :TITDDQLDT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38081 Ang P5.CA and P5.CB Number of specific fragments= 1 total=268 # 1b25A.19.20 read from T0180.t2k.frag # found chain 1b25A in template set T0180 19 :RLYPDEIEA 1b25A 21 :QEYPEEVAK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.46929 Ang Y4.OH and E9.OE1 other bump:2.10094 Ang Y4.CE2 and E9.OE1 other bump:2.00827 Ang Y4.CZ and E9.OE1 other bump:2.23922 Ang Y4.OH and E9.CD other bump:3.08301 Ang P5.CD and I8.CD1 Number of specific fragments= 1 total=269 # 1jrfA.19.20 read from T0180.t2k.frag # adding 1jrfA to template set 1jrfA:# found chain 1jrfA in template set T0180 19 :RLYPDEIEA 1jrfA 21 :ECYPQDWLC Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39034 Ang E7.O and E9.O other bump:2.4618 Ang D6.O and E9.CB self-bump: 1.38202 Ang L3.CA and L3.CB Number of specific fragments= 1 total=270 # 1idk.20.22 read from T0180.t2k.frag # found chain 1idk in template set T0180 20 :LYPDEIEAL 1idk 23 :VYPDTIDEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=271 # 1i50A.20.21 read from T0180.t2k.frag # found chain 1i50A in template set T0180 20 :LYPDEIEAL 1i50A 22 :FSPEEVRAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=272 # 1jrfA.20.21 read from T0180.t2k.frag # found chain 1jrfA in template set T0180 20 :LYPDEIEAL 1jrfA 22 :CYPQDWLCD Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67485 Ang E6.O and L10.CD1 other bump:2.86608 Ang I7.CA and L10.CD1 other bump:2.52193 Ang E6.O and L10.CG other bump:2.39034 Ang E6.O and E8.O other bump:2.4618 Ang D5.O and E8.CB self-bump: 1.38202 Ang L2.CA and L2.CB Number of specific fragments= 1 total=273 # 1hw5A.20.22 read from T0180.t2k.frag # found chain 1hw5A in template set T0180 20 :LYPDEIEAL 1hw5A 22 :KYPSKSTLI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.6317 Ang A9.O and L10.CD1 Number of specific fragments= 1 total=274 # 1sxl.20.24 read from T0180.t2k.frag # found chain 1sxl in template set T0180 20 :LYPDEIEAL 1sxl 25 :ITDDQLDTI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3808 Ang P4.CA and P4.CB Number of specific fragments= 1 total=275 # 1jygA.20.23 read from T0180.t2k.frag # adding 1jygA to template set 1jygA:# found chain 1jygA in template set T0180 20 :LYPDEIEAL 1jygA 24 :LTDDDMTII Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.864099 Ang P4.O and E8.OE1 other bump:1.82274 Ang P4.C and E8.OE1 other bump:2.7734 Ang D5.CA and E8.OE1 other bump:1.83352 Ang P4.O and E8.CD other bump:2.67528 Ang P4.C and E8.CD Number of specific fragments= 1 total=276 # 1idk.21.23 read from T0180.t2k.frag # found chain 1idk in template set T0180 21 :YPDEIEALK 1idk 24 :YPDTIDELV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=277 # 1i50A.21.22 read from T0180.t2k.frag # found chain 1i50A in template set T0180 21 :YPDEIEALK 1i50A 23 :SPEEVRAIS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40888 Ang I6.O and K10.CG Number of specific fragments= 1 total=278 # 1jrfA.21.22 read from T0180.t2k.frag # found chain 1jrfA in template set T0180 21 :YPDEIEALK 1jrfA 23 :YPQDWLCDG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.80226 Ang L9.C and K10.CG neighbor-bump: 2.13595 Ang L9.O and K10.CG other bump:2.67484 Ang E5.O and L9.CD1 other bump:2.86608 Ang I6.CA and L9.CD1 other bump:2.52193 Ang E5.O and L9.CG other bump:2.39034 Ang E5.O and E7.O other bump:2.4618 Ang D4.O and E7.CB Number of specific fragments= 1 total=279 # 1jygA.21.24 read from T0180.t2k.frag # found chain 1jygA in template set T0180 21 :YPDEIEALK 1jygA 25 :TDDDMTIIE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17701 Ang L9.O and G11.N neighbor-bump: 2.33564 Ang L9.O and K10.C other bump:0.864099 Ang P3.O and E7.OE1 other bump:1.82274 Ang P3.C and E7.OE1 other bump:2.7734 Ang D4.CA and E7.OE1 other bump:1.83352 Ang P3.O and E7.CD other bump:2.67528 Ang P3.C and E7.CD Number of specific fragments= 1 total=280 # 1sxl.21.25 read from T0180.t2k.frag # found chain 1sxl in template set T0180 21 :YPDEIEALK 1sxl 26 :TDDQLDTIF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36767 Ang K10.CA and K10.CB self-bump: 1.38081 Ang P3.CA and P3.CB Number of specific fragments= 1 total=281 # 2i1b.21.21 read from T0180.t2k.frag # found chain 2i1b in training set T0180 21 :YPDEIEALK 2i1b 22 :GPYELKALH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.71248 Ang Y2.CB and P3.CD Number of specific fragments= 1 total=282 # 1idk.22.24 read from T0180.t2k.frag # found chain 1idk in template set T0180 22 :PDEIEALKS 1idk 25 :PDTIDELVS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=283 # 1i50A.22.23 read from T0180.t2k.frag # found chain 1i50A in template set T0180 22 :PDEIEALKS 1i50A 24 :PEEVRAISV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40888 Ang I5.O and K9.CG Number of specific fragments= 1 total=284 # 1jygA.22.25 read from T0180.t2k.frag # found chain 1jygA in template set T0180 22 :PDEIEALKS 1jygA 26 :DDDMTIIEG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17701 Ang L8.O and S10.N neighbor-bump: 2.33564 Ang L8.O and K9.C other bump:0.864099 Ang P2.O and E6.OE1 other bump:1.82274 Ang P2.C and E6.OE1 other bump:2.7734 Ang D3.CA and E6.OE1 other bump:1.83352 Ang P2.O and E6.CD other bump:2.67528 Ang P2.C and E6.CD Number of specific fragments= 1 total=285 # 1jrfA.22.23 read from T0180.t2k.frag # found chain 1jrfA in template set T0180 22 :PDEIEALKS 1jrfA 24 :PQDWLCDGH Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.76855 Ang L8.O and K9.CD neighbor-bump: 2.31471 Ang L8.O and K9.CG self-bump: 1.38335 Ang K9.CA and K9.CB other bump:2.67484 Ang E4.O and L8.CD1 other bump:2.86608 Ang I5.CA and L8.CD1 other bump:2.52193 Ang E4.O and L8.CG other bump:2.39034 Ang E4.O and E6.O other bump:2.4618 Ang D3.O and E6.CB Number of specific fragments= 1 total=286 # 1sxl.22.26 read from T0180.t2k.frag # found chain 1sxl in template set T0180 22 :PDEIEALKS 1sxl 27 :DDQLDTIFG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36767 Ang K9.CA and K9.CB self-bump: 1.3808 Ang P2.CA and P2.CB Number of specific fragments= 1 total=287 # 2i1b.22.22 read from T0180.t2k.frag # found chain 2i1b in training set T0180 22 :PDEIEALKS 2i1b 23 :PYELKALHL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=288 # 1idk.23.25 read from T0180.t2k.frag # found chain 1idk in template set T0180 23 :DEIEALKSR 1idk 26 :DTIDELVSY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=289 # 1i50A.23.24 read from T0180.t2k.frag # found chain 1i50A in template set T0180 23 :DEIEALKSR 1i50A 25 :EEVRAISVA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40888 Ang I4.O and K8.CG Number of specific fragments= 1 total=290 # 1jygA.23.26 read from T0180.t2k.frag # found chain 1jygA in template set T0180 23 :DEIEALKSR 1jygA 27 :DDMTIIEGK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17701 Ang L7.O and S9.N neighbor-bump: 2.33564 Ang L7.O and K8.C other bump:0.864099 Ang G1.O and E5.OE1 other bump:1.82274 Ang G1.C and E5.OE1 other bump:2.7734 Ang D2.CA and E5.OE1 other bump:1.83352 Ang G1.O and E5.CD other bump:2.67528 Ang G1.C and E5.CD Number of specific fragments= 1 total=291 # 1sxl.23.27 read from T0180.t2k.frag # found chain 1sxl in template set T0180 23 :DEIEALKSR 1sxl 28 :DQLDTIFGK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36767 Ang K8.CA and K8.CB Number of specific fragments= 1 total=292 # 1jrfA.23.24 read from T0180.t2k.frag # found chain 1jrfA in template set T0180 23 :DEIEALKSR 1jrfA 25 :QDWLCDGHP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.76855 Ang L7.O and K8.CD neighbor-bump: 2.31471 Ang L7.O and K8.CG self-bump: 1.38335 Ang K8.CA and K8.CB other bump:2.86608 Ang I4.CA and L7.CD1 other bump:2.67484 Ang E3.O and L7.CD1 other bump:2.52193 Ang E3.O and L7.CG other bump:2.39034 Ang E3.O and E5.O other bump:2.4618 Ang D2.O and E5.CB Number of specific fragments= 1 total=293 # 1sxl.23.24 read from T0180.t2k.frag # found chain 1sxl in template set T0180 23 :DEIEALKSR 1sxl 25 :ITDDQLDTI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.23287 Ang D2.CG and R10.NH2 other bump:1.12536 Ang D2.OD2 and R10.NH2 other bump:2.12217 Ang D2.OD2 and R10.CZ other bump:2.68281 Ang D2.OD1 and A6.CB Number of specific fragments= 1 total=294 # 1idk.24.26 read from T0180.t2k.frag # found chain 1idk in template set T0180 24 :EIEALKSRV 1idk 27 :TIDELVSYL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=295 # 1jygA.24.27 read from T0180.t2k.frag # found chain 1jygA in template set T0180 24 :EIEALKSRV 1jygA 28 :DMTIIEGKR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17701 Ang L6.O and S8.N neighbor-bump: 2.33564 Ang L6.O and K7.C Number of specific fragments= 1 total=296 # 1sxl.24.28 read from T0180.t2k.frag # found chain 1sxl in template set T0180 24 :EIEALKSRV 1sxl 29 :QLDTIFGKY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36767 Ang K7.CA and K7.CB Number of specific fragments= 1 total=297 # 1i50A.24.25 read from T0180.t2k.frag # found chain 1i50A in template set T0180 24 :EIEALKSRV 1i50A 26 :EVRAISVAK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40888 Ang I3.O and K7.CG Number of specific fragments= 1 total=298 # 1sxl.24.25 read from T0180.t2k.frag # found chain 1sxl in template set T0180 24 :EIEALKSRV 1sxl 26 :TDDQLDTIF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39548 Ang V10.CA and V10.CB Number of specific fragments= 1 total=299 # 1ddbA.24.33 read from T0180.t2k.frag # adding 1ddbA to template set 1ddbA:# found chain 1ddbA in template set T0180 24 :EIEALKSRV 1ddbA 34 :ELEVLGREL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15087 Ang E4.O and S8.OG other bump:1.92379 Ang I3.CG2 and K7.CE other bump:2.86296 Ang I3.CB and K7.CD other bump:1.49878 Ang I3.CG2 and K7.CD other bump:3.10919 Ang I3.C and K7.CD other bump:2.56921 Ang I3.CG2 and K7.CG other bump:2.28195 Ang I3.O and K7.CG other bump:3.08965 Ang I3.C and K7.CG other bump:1.93347 Ang I3.O and K7.CB other bump:3.08234 Ang I3.C and K7.CB other bump:2.59575 Ang I3.O and K7.CA Number of specific fragments= 1 total=300 # 1idk.25.27 read from T0180.t2k.frag # found chain 1idk in template set T0180 25 :IEALKSRVP 1idk 28 :IDELVSYLG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.22256 Ang V9.CA and P10.CD neighbor-bump: 2.55887 Ang V9.CB and P10.CD neighbor-bump: 1.876 Ang V9.C and P10.CD neighbor-bump: 2.31885 Ang V9.N and P10.CD other bump:2.31425 Ang K6.O and P10.CD self-bump: 1.28099 Ang P10.N and P10.CD other bump:2.09602 Ang K6.O and P10.CG self-bump: 2.13683 Ang P10.N and P10.CG Number of specific fragments= 1 total=301 # 1sxl.25.26 read from T0180.t2k.frag # found chain 1sxl in template set T0180 25 :IEALKSRVP 1sxl 27 :DDQLDTIFG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.12882 Ang V9.C and P10.CD other bump:1.85039 Ang K6.O and P10.CD other bump:3.00932 Ang K6.C and P10.CD other bump:2.96908 Ang S7.C and P10.CD other bump:2.25882 Ang K6.O and P10.CG other bump:3.14543 Ang K6.C and P10.CG self-bump: 1.39548 Ang V9.CA and V9.CB Number of specific fragments= 1 total=302 # 1sxl.25.29 read from T0180.t2k.frag # found chain 1sxl in template set T0180 25 :IEALKSRVP 1sxl 30 :LDTIFGKYG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.20721 Ang V9.CB and P10.CD neighbor-bump: 2.46725 Ang V9.CG1 and P10.CD neighbor-bump: 2.11746 Ang V9.C and P10.CD neighbor-bump: 3.1361 Ang V9.CG1 and P10.CG self-bump: 1.36767 Ang K6.CA and K6.CB Number of specific fragments= 1 total=303 # 1jygA.25.28 read from T0180.t2k.frag # found chain 1jygA in template set T0180 25 :IEALKSRVP 1jygA 29 :MTIIEGKRD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.689 Ang L5.CD2 and G11.CA other bump:2.17701 Ang L5.O and S7.N neighbor-bump: 2.33564 Ang L5.O and K6.C Number of specific fragments= 1 total=304 # 1ddbA.25.34 read from T0180.t2k.frag # found chain 1ddbA in template set T0180 25 :IEALKSRVP 1ddbA 35 :LEVLGRELP Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15087 Ang E3.O and S7.OG other bump:1.92379 Ang I2.CG2 and K6.CE other bump:2.86296 Ang I2.CB and K6.CD other bump:1.49878 Ang I2.CG2 and K6.CD other bump:3.10919 Ang I2.C and K6.CD other bump:2.56921 Ang I2.CG2 and K6.CG other bump:2.28195 Ang I2.O and K6.CG other bump:3.08965 Ang I2.C and K6.CG other bump:1.93347 Ang I2.O and K6.CB other bump:3.08234 Ang I2.C and K6.CB other bump:2.59575 Ang I2.O and K6.CA Number of specific fragments= 1 total=305 # 1i50A.25.26 read from T0180.t2k.frag # found chain 1i50A in template set T0180 25 :IEALKSRVP 1i50A 27 :VRAISVAKI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.71589 Ang V9.O and P10.CD neighbor-bump: 2.61624 Ang V9.N and P10.CD neighbor-bump: 2.24871 Ang V9.CA and P10.CD neighbor-bump: 1.22845 Ang V9.C and P10.CD neighbor-bump: 2.30856 Ang V9.O and P10.CG neighbor-bump: 2.47423 Ang V9.C and P10.CG other bump:2.40888 Ang I2.O and K6.CG Number of specific fragments= 1 total=306 # 1idk.26.28 read from T0180.t2k.frag # found chain 1idk in template set T0180 26 :EALKSRVPA 1idk 29 :DELVSYLGD Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.22257 Ang V8.CA and P9.CD neighbor-bump: 2.55888 Ang V8.CB and P9.CD neighbor-bump: 2.31885 Ang V8.N and P9.CD other bump:2.31425 Ang K5.O and P9.CD neighbor-bump: 1.876 Ang V8.C and P9.CD self-bump: 1.28099 Ang P9.N and P9.CD other bump:2.09601 Ang K5.O and P9.CG self-bump: 2.13683 Ang P9.N and P9.CG Number of specific fragments= 1 total=307 # 1sxl.26.27 read from T0180.t2k.frag # found chain 1sxl in template set T0180 26 :EALKSRVPA 1sxl 28 :DQLDTIFGK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.12882 Ang V8.C and P9.CD other bump:2.96908 Ang S6.C and P9.CD other bump:3.00932 Ang K5.C and P9.CD other bump:1.85039 Ang K5.O and P9.CD other bump:3.14543 Ang K5.C and P9.CG other bump:2.25882 Ang K5.O and P9.CG self-bump: 1.39548 Ang V8.CA and V8.CB Number of specific fragments= 1 total=308 # 1sxl.26.30 read from T0180.t2k.frag # found chain 1sxl in template set T0180 26 :EALKSRVPA 1sxl 31 :DTIFGKYGS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.34573 Ang V8.CB and P9.CD neighbor-bump: 2.68735 Ang V8.CG1 and P9.CD self-bump: 1.36767 Ang K5.CA and K5.CB Number of specific fragments= 1 total=309 # 1jygA.26.29 read from T0180.t2k.frag # found chain 1jygA in template set T0180 26 :EALKSRVPA 1jygA 30 :TIIEGKRDQ Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42208 Ang L4.CD2 and G11.CA other bump:3.15508 Ang L4.CG and G11.N other bump:1.74452 Ang L4.CD2 and G11.N other bump:3.20286 Ang L4.CG and A10.C other bump:1.93638 Ang L4.CD2 and A10.C other bump:2.56658 Ang L4.CD2 and A10.O other bump:2.5078 Ang L4.CD2 and A10.CB other bump:2.689 Ang L4.CD2 and A10.CA other bump:2.17701 Ang L4.O and S6.N neighbor-bump: 2.33564 Ang L4.O and K5.C Number of specific fragments= 1 total=310 # 1ddbA.26.35 read from T0180.t2k.frag # found chain 1ddbA in template set T0180 26 :EALKSRVPA 1ddbA 36 :EVLGRELPV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15087 Ang E2.O and S6.OG other bump:3.10919 Ang G1.C and K5.CD other bump:2.28195 Ang G1.O and K5.CG other bump:3.08965 Ang G1.C and K5.CG other bump:1.93347 Ang G1.O and K5.CB other bump:3.08234 Ang G1.C and K5.CB other bump:2.59575 Ang G1.O and K5.CA Number of specific fragments= 1 total=311 # 1gl1I.26.27 read from T0180.t2k.frag # found chain 1gl1I in template set T0180 26 :EALKSRV 1gl1I 28 :CTLKACP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 1 total=312 # 1sxl.27.28 read from T0180.t2k.frag # found chain 1sxl in template set T0180 27 :ALKSRVPAN 1sxl 29 :QLDTIFGKY Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36242 Ang N10.CA and N10.CB neighbor-bump: 2.12882 Ang V7.C and P8.CD other bump:2.96908 Ang S5.C and P8.CD other bump:1.85039 Ang K4.O and P8.CD other bump:3.00932 Ang K4.C and P8.CD other bump:2.25882 Ang K4.O and P8.CG other bump:3.14543 Ang K4.C and P8.CG self-bump: 1.39548 Ang V7.CA and V7.CB Number of specific fragments= 1 total=313 # 1idk.27.29 read from T0180.t2k.frag # found chain 1idk in template set T0180 27 :ALKSRVPAN 1idk 30 :ELVSYLGDD Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.22257 Ang V7.CA and P8.CD neighbor-bump: 2.55888 Ang V7.CB and P8.CD neighbor-bump: 2.31885 Ang V7.N and P8.CD other bump:2.31425 Ang K4.O and P8.CD neighbor-bump: 1.876 Ang V7.C and P8.CD self-bump: 1.28099 Ang P8.N and P8.CD other bump:2.09601 Ang K4.O and P8.CG self-bump: 2.13683 Ang P8.N and P8.CG Number of specific fragments= 1 total=314 # 1ezvA.27.30 read from T0180.t2k.frag # adding 1ezvA to template set 1ezvA:# found chain 1ezvA in template set T0180 27 :ALKSRVPAN 1ezvA 57 :GAANENPYN Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.12805 Ang V7.CG2 and N10.ND2 other bump:2.72023 Ang V7.CG2 and N10.N other bump:1.86267 Ang L3.CD2 and R6.NH2 other bump:1.80252 Ang L3.CD2 and R6.CZ other bump:2.92482 Ang L3.CA and R6.NE other bump:1.53249 Ang L3.CD2 and R6.NE other bump:2.73252 Ang L3.CG and R6.NE other bump:3.18097 Ang L3.CA and R6.CD other bump:2.81641 Ang L3.CD2 and R6.CD self-bump: 2.19665 Ang A2.CB and A2.C self-bump: 1.25785 Ang A2.CA and A2.CB Number of specific fragments= 1 total=315 # 1kyoA.27.30 read from T0180.t2k.frag # adding 1kyoA to template set 1kyoA:# found chain 1kyoA in template set T0180 27 :ALKSRVPAN 1kyoA 57 :GAANENPYN Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.33436 Ang V7.CB and N10.ND2 other bump:3.12033 Ang V7.CG2 and N10.ND2 other bump:2.27431 Ang L3.CD2 and R6.NH2 other bump:1.97989 Ang L3.CD2 and R6.CZ other bump:2.6542 Ang L3.CG and R6.NE other bump:1.44558 Ang L3.CD2 and R6.NE other bump:2.54429 Ang L3.CD2 and R6.CD other bump:3.14644 Ang L3.CA and R6.CD self-bump: 2.20366 Ang A2.CB and A2.C self-bump: 1.26073 Ang A2.CA and A2.CB Number of specific fragments= 1 total=316 # 1sxl.27.31 read from T0180.t2k.frag # found chain 1sxl in template set T0180 27 :ALKSRVPAN 1sxl 32 :TIFGKYGSI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26565 Ang A9.O and N10.O neighbor-bump: 2.34573 Ang V7.CB and P8.CD neighbor-bump: 2.68735 Ang V7.CG1 and P8.CD self-bump: 1.36767 Ang K4.CA and K4.CB Number of specific fragments= 1 total=317 # 1hpwA.27.30 read from T0180.t2k.frag # adding 1hpwA to template set 1hpwA:# found chain 1hpwA in template set T0180 27 :ALKSRVPAN 1hpwA 52 :SQDGSCPAN Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75721 Ang R6.CG and P8.CD other bump:3.12773 Ang R6.CD and P8.CG other bump:2.57758 Ang K4.CE and P8.CG other bump:1.35159 Ang K4.NZ and P8.CG other bump:2.35715 Ang R6.NE and P8.CG other bump:2.00828 Ang K4.NZ and P8.CB neighbor-bump: 2.95032 Ang R6.C and V7.CG2 other bump:1.34855 Ang K4.CE and R6.NH2 other bump:2.18499 Ang K4.NZ and R6.NH2 other bump:2.76137 Ang K4.CG and R6.NH2 other bump:1.57244 Ang K4.CD and R6.NH2 other bump:2.17054 Ang K4.CE and R6.NH1 other bump:0.871275 Ang K4.CE and R6.CZ other bump:2.11698 Ang K4.NZ and R6.CZ other bump:2.89489 Ang K4.CG and R6.CZ other bump:2.10561 Ang K4.CD and R6.CZ other bump:0.932172 Ang K4.CE and R6.NE other bump:1.68364 Ang K4.NZ and R6.NE other bump:2.68929 Ang K4.CB and R6.NE other bump:2.94141 Ang K4.CG and R6.NE other bump:2.23525 Ang K4.CD and R6.NE other bump:2.36695 Ang K4.CE and R6.CD other bump:2.90445 Ang K4.CB and R6.CD other bump:3.01253 Ang K4.CB and R6.CG self-bump: 1.3855 Ang L3.CA and L3.CB Number of specific fragments= 1 total=318 # 1sxl.28.29 read from T0180.t2k.frag # found chain 1sxl in template set T0180 28 :LKSRVPANT 1sxl 30 :LDTIFGKYG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.27164 Ang N9.CA and N9.CB neighbor-bump: 2.12882 Ang V6.C and P7.CD other bump:1.85039 Ang K3.O and P7.CD other bump:2.96908 Ang S4.C and P7.CD other bump:3.00932 Ang K3.C and P7.CD other bump:2.25882 Ang K3.O and P7.CG other bump:3.14543 Ang K3.C and P7.CG self-bump: 1.39548 Ang V6.CA and V6.CB Number of specific fragments= 1 total=319 # 1ezvA.28.31 read from T0180.t2k.frag # found chain 1ezvA in template set T0180 28 :LKSRVPANT 1ezvA 58 :AANENPYNN Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43215 Ang R5.NH1 and G11.CA other bump:3.19359 Ang R5.CZ and G11.N other bump:2.12021 Ang R5.NH1 and G11.N other bump:2.90679 Ang V6.C and T10.OG1 other bump:1.82459 Ang V6.O and T10.OG1 other bump:2.12805 Ang V6.CG2 and N9.ND2 other bump:2.72023 Ang V6.CG2 and N9.N other bump:1.86268 Ang L2.CD2 and R5.NH2 other bump:1.80252 Ang L2.CD2 and R5.CZ other bump:2.92482 Ang L2.CA and R5.NE other bump:1.53249 Ang L2.CD2 and R5.NE other bump:2.73252 Ang L2.CG and R5.NE other bump:3.18097 Ang L2.CA and R5.CD other bump:2.8164 Ang L2.CD2 and R5.CD Number of specific fragments= 1 total=320 # 1kyoA.28.31 read from T0180.t2k.frag # found chain 1kyoA in template set T0180 28 :LKSRVPANT 1kyoA 58 :AANENPYNN Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36506 Ang R5.NH1 and G11.CA other bump:3.11289 Ang R5.CZ and G11.N other bump:2.19695 Ang R5.NH1 and G11.N other bump:2.33436 Ang V6.CB and N9.ND2 other bump:3.12033 Ang V6.CG2 and N9.ND2 other bump:2.03727 Ang L2.CD2 and R5.NH2 other bump:1.70419 Ang L2.CD2 and R5.CZ other bump:2.51465 Ang L2.CG and R5.NE other bump:1.17077 Ang L2.CD2 and R5.NE other bump:2.42165 Ang L2.CD2 and R5.CD other bump:3.14644 Ang L2.CA and R5.CD Number of specific fragments= 1 total=321 # 1hpwA.28.31 read from T0180.t2k.frag # found chain 1hpwA in template set T0180 28 :LKSRVPANT 1hpwA 53 :QDGSCPANT Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75721 Ang R5.CG and P7.CD other bump:2.57758 Ang K3.CE and P7.CG other bump:1.35159 Ang K3.NZ and P7.CG other bump:2.35715 Ang R5.NE and P7.CG other bump:3.12773 Ang R5.CD and P7.CG other bump:2.00828 Ang K3.NZ and P7.CB neighbor-bump: 2.95032 Ang R5.C and V6.CG2 other bump:1.34855 Ang K3.CE and R5.NH2 other bump:2.18499 Ang K3.NZ and R5.NH2 other bump:2.76137 Ang K3.CG and R5.NH2 other bump:1.57244 Ang K3.CD and R5.NH2 other bump:2.17054 Ang K3.CE and R5.NH1 other bump:0.871273 Ang K3.CE and R5.CZ other bump:2.11697 Ang K3.NZ and R5.CZ other bump:2.89489 Ang K3.CG and R5.CZ other bump:2.10561 Ang K3.CD and R5.CZ other bump:0.932173 Ang K3.CE and R5.NE other bump:1.68364 Ang K3.NZ and R5.NE other bump:2.68929 Ang K3.CB and R5.NE other bump:2.94141 Ang K3.CG and R5.NE other bump:2.23525 Ang K3.CD and R5.NE other bump:2.36695 Ang K3.CE and R5.CD other bump:2.90445 Ang K3.CB and R5.CD other bump:3.01253 Ang K3.CB and R5.CG self-bump: 1.3855 Ang L2.CA and L2.CB Number of specific fragments= 1 total=322 # 1idk.28.30 read from T0180.t2k.frag # found chain 1idk in template set T0180 28 :LKSRVPANT 1idk 31 :LVSYLGDDE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.22257 Ang V6.CA and P7.CD neighbor-bump: 2.55888 Ang V6.CB and P7.CD neighbor-bump: 1.876 Ang V6.C and P7.CD neighbor-bump: 2.31885 Ang V6.N and P7.CD other bump:2.31425 Ang K3.O and P7.CD self-bump: 1.28099 Ang P7.N and P7.CD other bump:2.09601 Ang K3.O and P7.CG self-bump: 2.13683 Ang P7.N and P7.CG Number of specific fragments= 1 total=323 # 1oneA.28.29 read from T0180.t2k.frag # adding 1oneA to template set 1oneA:# found chain 1oneA in template set T0180 28 :LKSRVPANT 1oneA 30 :FRSIVPSGA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39783 Ang T10.CA and T10.CB Number of specific fragments= 1 total=324 # 1ezvA.29.32 read from T0180.t2k.frag # found chain 1ezvA in template set T0180 29 :KSRVPANTS 1ezvA 59 :ANENPYNNG Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51572 Ang R4.NH1 and G11.N other bump:2.65395 Ang R4.NH1 and S10.C neighbor-bump: 2.59155 Ang T9.C and S10.OG neighbor-bump: 1.99109 Ang T9.O and S10.OG neighbor-bump: 2.37402 Ang T9.C and S10.CB neighbor-bump: 1.88331 Ang T9.O and S10.CB other bump:2.43215 Ang R4.NH1 and S10.CA other bump:3.19359 Ang R4.CZ and S10.N other bump:2.12021 Ang R4.NH1 and S10.N other bump:2.90678 Ang V5.C and T9.OG1 other bump:1.82458 Ang V5.O and T9.OG1 other bump:2.12805 Ang V5.CG2 and N8.ND2 other bump:2.72023 Ang V5.CG2 and N8.N Number of specific fragments= 1 total=325 # 1kyoA.29.32 read from T0180.t2k.frag # found chain 1kyoA in template set T0180 29 :KSRVPANTS 1kyoA 59 :ANENPYNNG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28533 Ang R4.NH1 and G11.N other bump:2.4752 Ang R4.NH1 and S10.C other bump:2.36506 Ang R4.NH1 and S10.CA other bump:2.19695 Ang R4.NH1 and S10.N other bump:3.11289 Ang R4.CZ and S10.N other bump:2.33436 Ang V5.CB and N8.ND2 other bump:3.12033 Ang V5.CG2 and N8.ND2 Number of specific fragments= 1 total=326 # 1sxl.29.30 read from T0180.t2k.frag # found chain 1sxl in template set T0180 29 :KSRVPANTS 1sxl 31 :DTIFGKYGS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.27164 Ang N8.CA and N8.CB neighbor-bump: 2.12882 Ang V5.C and P6.CD other bump:1.85039 Ang K2.O and P6.CD other bump:2.96908 Ang S3.C and P6.CD other bump:3.00932 Ang K2.C and P6.CD other bump:2.25882 Ang K2.O and P6.CG other bump:3.14543 Ang K2.C and P6.CG self-bump: 1.39548 Ang V5.CA and V5.CB Number of specific fragments= 1 total=327 # 1k77A.29.32 read from T0180.t2k.frag # adding 1k77A to template set 1k77A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 369, because occupancy 0.5 <= existing 0.500001 Skipped atom 371, because occupancy 0.5 <= existing 0.500001 Skipped atom 373, because occupancy 0.5 <= existing 0.500001 Skipped atom 375, because occupancy 0.5 <= existing 0.500001 Skipped atom 377, because occupancy 0.5 <= existing 0.500001 Skipped atom 379, because occupancy 0.47 <= existing 0.530001 Skipped atom 383, because occupancy 0.5 <= existing 0.500001 Skipped atom 413, because occupancy 0.5 <= existing 0.500001 Skipped atom 417, because occupancy 0.5 <= existing 0.500001 Skipped atom 419, because occupancy 0.5 <= existing 0.500001 Skipped atom 421, because occupancy 0.49 <= existing 0.510001 Skipped atom 425, because occupancy 0.43 <= existing 0.570001 Skipped atom 427, because occupancy 0.42 <= existing 0.580001 Skipped atom 429, because occupancy 0.42 <= existing 0.580001 Skipped atom 785, because occupancy 0.5 <= existing 0.500001 Skipped atom 787, because occupancy 0.5 <= existing 0.500001 Skipped atom 789, because occupancy 0.5 <= existing 0.500001 Skipped atom 791, because occupancy 0.5 <= existing 0.500001 Skipped atom 793, because occupancy 0.5 <= existing 0.500001 Skipped atom 795, because occupancy 0.47 <= existing 0.530001 Skipped atom 797, because occupancy 0.43 <= existing 0.570001 Skipped atom 799, because occupancy 0.44 <= existing 0.560001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1141, because occupancy 0.5 <= existing 0.500001 Skipped atom 1145, because occupancy 0.5 <= existing 0.500001 Skipped atom 1147, because occupancy 0.5 <= existing 0.500001 Skipped atom 1149, because occupancy 0.48 <= existing 0.520001 Skipped atom 1151, because occupancy 0.43 <= existing 0.570001 Skipped atom 1858, because occupancy 0.5 <= existing 0.500001 Skipped atom 1860, because occupancy 0.5 <= existing 0.500001 Skipped atom 1862, because occupancy 0.48 <= existing 0.520001 Skipped atom 1866, because occupancy 0.41 <= existing 0.590001 Skipped atom 1870, because occupancy 0.5 <= existing 0.500001 Skipped atom 1874, because occupancy 0.5 <= existing 0.500001 Skipped atom 1878, because occupancy 0.49 <= existing 0.510001 Skipped atom 1880, because occupancy 0.49 <= existing 0.510001 Skipped atom 1884, because occupancy 0.47 <= existing 0.530001 Skipped atom 1979, because occupancy 0.5 <= existing 0.500001 Skipped atom 1981, because occupancy 0.5 <= existing 0.500001 Skipped atom 1983, because occupancy 0.49 <= existing 0.510001 Skipped atom 1993, because occupancy 0.48 <= existing 0.520001 Skipped atom 1995, because occupancy 0.5 <= existing 0.500001 Skipped atom 2034, because occupancy 0.5 <= existing 0.500001 Skipped atom 2036, because occupancy 0.5 <= existing 0.500001 Skipped atom 2038, because occupancy 0.5 <= existing 0.500001 Skipped atom 2042, because occupancy 0.5 <= existing 0.500001 Skipped atom 2050, because occupancy 0.46 <= existing 0.540001 # found chain 1k77A in template set T0180 29 :KSRVPANTS 1k77A 33 :EFLFPYNYS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35059 Ang R4.CA and R4.CB Number of specific fragments= 1 total=328 # 1hpwA.29.32 read from T0180.t2k.frag # found chain 1hpwA in template set T0180 29 :KSRVPANTS 1hpwA 54 :DGSCPANTA Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80355 Ang R4.CZ and S10.OG other bump:1.92885 Ang R4.NH2 and S10.OG other bump:2.75721 Ang R4.CG and P6.CD other bump:2.57758 Ang K2.CE and P6.CG other bump:1.35159 Ang K2.NZ and P6.CG other bump:2.35715 Ang R4.NE and P6.CG other bump:3.12773 Ang R4.CD and P6.CG other bump:2.00828 Ang K2.NZ and P6.CB neighbor-bump: 2.95032 Ang R4.C and V5.CG2 other bump:1.57244 Ang K2.CD and R4.NH2 other bump:1.34855 Ang K2.CE and R4.NH2 other bump:2.18499 Ang K2.NZ and R4.NH2 other bump:2.76137 Ang K2.CG and R4.NH2 other bump:2.17054 Ang K2.CE and R4.NH1 other bump:2.10561 Ang K2.CD and R4.CZ other bump:0.871274 Ang K2.CE and R4.CZ other bump:2.11697 Ang K2.NZ and R4.CZ other bump:2.8949 Ang K2.CG and R4.CZ other bump:2.23525 Ang K2.CD and R4.NE other bump:0.932174 Ang K2.CE and R4.NE other bump:1.68364 Ang K2.NZ and R4.NE other bump:2.68929 Ang K2.CB and R4.NE other bump:2.94141 Ang K2.CG and R4.NE other bump:2.36695 Ang K2.CE and R4.CD other bump:2.90445 Ang K2.CB and R4.CD other bump:3.01254 Ang K2.CB and R4.CG Number of specific fragments= 1 total=329 # 1oneA.29.30 read from T0180.t2k.frag # found chain 1oneA in template set T0180 29 :KSRVPANTS 1oneA 31 :RSIVPSGAS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39783 Ang T9.CA and T9.CB Number of specific fragments= 1 total=330 # 1ezvA.30.33 read from T0180.t2k.frag # found chain 1ezvA in template set T0180 30 :SRVPANTSM 1ezvA 60 :NENPYNNGV Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7803 Ang N7.CB and M10.SD other bump:2.88562 Ang N7.CG and M10.SD other bump:2.37136 Ang N7.OD1 and M10.SD other bump:2.52787 Ang N7.O and M10.CG other bump:2.51572 Ang R3.NH1 and M10.N other bump:2.65395 Ang R3.NH1 and S9.C neighbor-bump: 1.9911 Ang T8.O and S9.OG neighbor-bump: 2.59156 Ang T8.C and S9.OG neighbor-bump: 1.88331 Ang T8.O and S9.CB neighbor-bump: 2.37403 Ang T8.C and S9.CB other bump:2.43215 Ang R3.NH1 and S9.CA other bump:3.19359 Ang R3.CZ and S9.N other bump:2.12021 Ang R3.NH1 and S9.N other bump:2.90678 Ang V4.C and T8.OG1 other bump:1.82458 Ang V4.O and T8.OG1 other bump:2.12805 Ang V4.CG2 and N7.ND2 other bump:2.72023 Ang V4.CG2 and N7.N Number of specific fragments= 1 total=331 # 1kyoA.30.33 read from T0180.t2k.frag # found chain 1kyoA in template set T0180 30 :SRVPANTSM 1kyoA 60 :NENPYNNGV Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32446 Ang N7.OD1 and M10.SD other bump:2.60412 Ang N7.CB and M10.SD other bump:2.80381 Ang N7.CG and M10.SD other bump:2.30872 Ang N7.O and M10.CG other bump:2.28533 Ang R3.NH1 and M10.N other bump:2.4752 Ang R3.NH1 and S9.C neighbor-bump: 2.7609 Ang T8.C and S9.OG neighbor-bump: 1.95712 Ang T8.O and S9.CB neighbor-bump: 2.3744 Ang T8.C and S9.CB other bump:2.36506 Ang R3.NH1 and S9.CA other bump:3.11289 Ang R3.CZ and S9.N other bump:2.19695 Ang R3.NH1 and S9.N other bump:2.33436 Ang V4.CB and N7.ND2 other bump:3.12033 Ang V4.CG2 and N7.ND2 Number of specific fragments= 1 total=332 # 1sxl.30.31 read from T0180.t2k.frag # found chain 1sxl in template set T0180 30 :SRVPANTSM 1sxl 32 :TIFGKYGSI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26565 Ang S9.O and M10.O self-bump: 1.27164 Ang N7.CA and N7.CB neighbor-bump: 2.12882 Ang V4.C and P5.CD other bump:1.85039 Ang G1.O and P5.CD other bump:2.96908 Ang S2.C and P5.CD other bump:3.00932 Ang G1.C and P5.CD other bump:2.25882 Ang G1.O and P5.CG other bump:3.14543 Ang G1.C and P5.CG self-bump: 1.39548 Ang V4.CA and V4.CB Number of specific fragments= 1 total=333 # 1k77A.30.33 read from T0180.t2k.frag # found chain 1k77A in template set T0180 30 :SRVPANTSM 1k77A 34 :FLFPYNYST Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35059 Ang R3.CA and R3.CB Number of specific fragments= 1 total=334 # 1hpwA.30.33 read from T0180.t2k.frag # found chain 1hpwA in template set T0180 30 :SRVPANTSM 1hpwA 55 :GSCPANTAA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.11836 Ang N7.CA and M10.CG other bump:2.86358 Ang R3.CZ and S9.OG other bump:1.94335 Ang R3.NH2 and S9.OG other bump:2.75721 Ang R3.CG and P5.CD other bump:2.35715 Ang R3.NE and P5.CG other bump:3.12773 Ang R3.CD and P5.CG neighbor-bump: 2.95032 Ang R3.C and V4.CG2 Number of specific fragments= 1 total=335 # 1oneA.30.31 read from T0180.t2k.frag # found chain 1oneA in template set T0180 30 :SRVPANTSM 1oneA 32 :SIVPSGAST Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.10222 Ang N7.C and M10.CE other bump:2.96112 Ang N7.CB and M10.CG self-bump: 1.39783 Ang T8.CA and T8.CB Number of specific fragments= 1 total=336 # 1ezvA.31.34 read from T0180.t2k.frag # found chain 1ezvA in template set T0180 31 :RVPANTSMS 1ezvA 61 :ENPYNNGVS Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06455 Ang R2.NH2 and S10.CB other bump:2.78029 Ang N6.CB and M9.SD other bump:2.88562 Ang N6.CG and M9.SD other bump:2.37137 Ang N6.OD1 and M9.SD other bump:2.52788 Ang N6.O and M9.CG other bump:2.51572 Ang R2.NH1 and M9.N other bump:2.65394 Ang R2.NH1 and S8.C neighbor-bump: 1.9911 Ang T7.O and S8.OG neighbor-bump: 2.59156 Ang T7.C and S8.OG neighbor-bump: 1.88331 Ang T7.O and S8.CB neighbor-bump: 2.37403 Ang T7.C and S8.CB other bump:2.43214 Ang R2.NH1 and S8.CA other bump:3.19358 Ang R2.CZ and S8.N other bump:2.1202 Ang R2.NH1 and S8.N other bump:2.90678 Ang V3.C and T7.OG1 other bump:1.82458 Ang V3.O and T7.OG1 other bump:2.12805 Ang V3.CG2 and N6.ND2 other bump:2.72023 Ang V3.CG2 and N6.N Number of specific fragments= 1 total=337 # 1kyoA.31.34 read from T0180.t2k.frag # found chain 1kyoA in template set T0180 31 :RVPANTSMS 1kyoA 61 :ENPYNNGVS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41115 Ang N6.O and M9.CG neighbor-bump: 2.7609 Ang T7.C and S8.OG neighbor-bump: 1.95712 Ang T7.O and S8.CB neighbor-bump: 2.3744 Ang T7.C and S8.CB other bump:2.48816 Ang R2.NH1 and S8.N other bump:2.93217 Ang R2.CZ and T7.CG2 other bump:2.70613 Ang R2.NH2 and T7.CG2 other bump:2.33436 Ang V3.CB and N6.ND2 other bump:3.12033 Ang V3.CG2 and N6.ND2 Number of specific fragments= 1 total=338 # 1k77A.31.34 read from T0180.t2k.frag # found chain 1k77A in template set T0180 31 :RVPANTSMS 1k77A 35 :LFPYNYSTL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35059 Ang R2.CA and R2.CB Number of specific fragments= 1 total=339 # 1sxl.31.32 read from T0180.t2k.frag # found chain 1sxl in template set T0180 31 :RVPANTSMS 1sxl 33 :IFGKYGSIV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26565 Ang S8.O and M9.O self-bump: 1.27164 Ang N6.CA and N6.CB neighbor-bump: 2.12882 Ang V3.C and P4.CD other bump:2.96908 Ang G1.C and P4.CD self-bump: 1.39548 Ang V3.CA and V3.CB Number of specific fragments= 1 total=340 # 1hpwA.31.34 read from T0180.t2k.frag # found chain 1hpwA in template set T0180 31 :RVPANTSMS 1hpwA 56 :SCPANTAAT Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48417 Ang M9.CG and S10.N other bump:2.46291 Ang N6.CB and M9.CE other bump:1.21216 Ang N6.CG and M9.CE other bump:1.29149 Ang N6.ND2 and M9.CE other bump:1.60693 Ang N6.OD1 and M9.CE other bump:2.34052 Ang N6.CG and M9.SD other bump:2.9966 Ang N6.ND2 and M9.SD other bump:1.63416 Ang N6.OD1 and M9.SD neighbor-bump: 2.95032 Ang R2.C and V3.CG2 Number of specific fragments= 1 total=341 # 1dcfA.31.32 read from T0180.t2k.frag # adding 1dcfA to template set 1dcfA:# found chain 1dcfA in template set T0180 31 :RVPANTSMS 1dcfA 33 :EVTTVSSNE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=342 # 1ezvA.32.35 read from T0180.t2k.frag # found chain 1ezvA in template set T0180 32 :VPANTSMSA 1ezvA 62 :NPYNNGVSN Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88562 Ang N5.CG and M8.SD other bump:2.78029 Ang N5.CB and M8.SD other bump:2.37137 Ang N5.OD1 and M8.SD other bump:2.52788 Ang N5.O and M8.CG neighbor-bump: 1.9911 Ang T6.O and S7.OG neighbor-bump: 2.59156 Ang T6.C and S7.OG neighbor-bump: 1.88331 Ang T6.O and S7.CB neighbor-bump: 2.37403 Ang T6.C and S7.CB other bump:2.90678 Ang V2.C and T6.OG1 other bump:1.82458 Ang V2.O and T6.OG1 other bump:2.76267 Ang V2.CB and N5.ND2 other bump:3.06042 Ang V2.CG1 and A4.CA other bump:2.34629 Ang V2.CG1 and A4.N Number of specific fragments= 1 total=343 # 1kyoA.32.35 read from T0180.t2k.frag # found chain 1kyoA in template set T0180 32 :VPANTSMSA 1kyoA 62 :NPYNNGVSN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41115 Ang N5.O and M8.CG neighbor-bump: 2.7609 Ang T6.C and S7.OG neighbor-bump: 1.95712 Ang T6.O and S7.CB neighbor-bump: 2.3744 Ang T6.C and S7.CB other bump:2.33436 Ang V2.CB and N5.ND2 other bump:3.12033 Ang V2.CG2 and N5.ND2 Number of specific fragments= 1 total=344 # 1k77A.32.35 read from T0180.t2k.frag # found chain 1k77A in template set T0180 32 :VPANTSMSA 1k77A 36 :FPYNYSTLQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=345 # 1sxl.32.33 read from T0180.t2k.frag # found chain 1sxl in template set T0180 32 :VPANTSMSA 1sxl 34 :FGKYGSIVQ Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.4801 Ang M8.CG and A10.O other bump:2.82597 Ang M8.SD and A10.O neighbor-bump: 2.26565 Ang S7.O and M8.O self-bump: 1.27164 Ang N5.CA and N5.CB neighbor-bump: 2.12882 Ang V2.C and P3.CD self-bump: 1.39548 Ang V2.CA and V2.CB Number of specific fragments= 1 total=346 # 1ggwA.32.33 read from T0180.t2k.frag # adding 1ggwA to template set 1ggwA:# found chain 1ggwA in template set T0180 32 :VPANTSMSA 1ggwA 35 :CGQNPTLAE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 0.707263 Ang V2.O and P3.CD neighbor-bump: 1.25461 Ang V2.C and P3.CD self-bump: 2.24709 Ang P3.CA and P3.CD neighbor-bump: 2.05336 Ang V2.O and P3.CG neighbor-bump: 2.62992 Ang V2.C and P3.CG self-bump: 2.05246 Ang P3.CA and P3.CG self-bump: 1.24767 Ang P3.CA and P3.CB Number of specific fragments= 1 total=347 # 1dcfA.32.33 read from T0180.t2k.frag # found chain 1dcfA in template set T0180 32 :VPANTSMSA 1dcfA 34 :VTTVSSNEE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76921 Ang N5.CG and A10.CB other bump:2.57217 Ang N5.ND2 and A10.CB other bump:2.30712 Ang N5.OD1 and A10.CB Number of specific fragments= 1 total=348 # 1ezvA.33.36 read from T0180.t2k.frag # found chain 1ezvA in template set T0180 33 :PANTSMSAY 1ezvA 63 :PYNNGVSNL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78029 Ang N4.CB and M7.SD other bump:2.88562 Ang N4.CG and M7.SD other bump:2.37137 Ang N4.OD1 and M7.SD other bump:2.52788 Ang N4.O and M7.CG neighbor-bump: 1.9911 Ang T5.O and S6.OG neighbor-bump: 2.59156 Ang T5.C and S6.OG neighbor-bump: 1.88331 Ang T5.O and S6.CB neighbor-bump: 2.37403 Ang T5.C and S6.CB other bump:2.90678 Ang G1.C and T5.OG1 other bump:1.82458 Ang G1.O and T5.OG1 Number of specific fragments= 1 total=349 # 1kyoA.33.36 read from T0180.t2k.frag # found chain 1kyoA in template set T0180 33 :PANTSMSAY 1kyoA 63 :PYNNGVSNL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41115 Ang N4.O and M7.CG neighbor-bump: 2.7609 Ang T5.C and S6.OG neighbor-bump: 1.95712 Ang T5.O and S6.CB neighbor-bump: 2.3744 Ang T5.C and S6.CB Number of specific fragments= 1 total=350 # 1k77A.33.36 read from T0180.t2k.frag # found chain 1k77A in template set T0180 33 :PANTSMSAY 1k77A 37 :PYNYSTLQI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67152 Ang T5.CG2 and Y10.OH other bump:3.09458 Ang T5.CG2 and Y10.CZ other bump:2.20466 Ang T5.OG1 and Y10.CZ other bump:2.31727 Ang T5.CB and Y10.CE1 other bump:1.26689 Ang T5.OG1 and Y10.CE1 other bump:2.38709 Ang T5.OG1 and Y10.CD1 Number of specific fragments= 1 total=351 # 1sxl.33.34 read from T0180.t2k.frag # found chain 1sxl in template set T0180 33 :PANTSMSAY 1sxl 35 :GKYGSIVQK Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31943 Ang M7.CA and Y10.OH other bump:1.78206 Ang M7.CB and Y10.OH other bump:1.96637 Ang M7.CG and Y10.OH other bump:2.99123 Ang M7.SD and Y10.OH other bump:2.96435 Ang M7.CA and Y10.CZ other bump:1.96197 Ang M7.CB and Y10.CZ other bump:1.05358 Ang M7.CG and Y10.CZ other bump:2.00958 Ang M7.CE and Y10.CZ other bump:1.79604 Ang M7.SD and Y10.CZ other bump:2.20674 Ang M7.CG and Y10.CE2 other bump:1.03329 Ang M7.CE and Y10.CE2 other bump:1.61909 Ang M7.SD and Y10.CE2 other bump:2.79343 Ang M7.CA and Y10.CE1 other bump:1.93117 Ang M7.CB and Y10.CE1 other bump:2.99045 Ang M7.C and Y10.CE1 other bump:0.515549 Ang M7.CG and Y10.CE1 neighbor-bump: 2.00507 Ang A9.O and Y10.CE1 neighbor-bump: 3.06457 Ang A9.C and Y10.CE1 other bump:1.9692 Ang M7.SD and Y10.CE1 other bump:2.78567 Ang M7.CG and Y10.CD2 other bump:1.91084 Ang M7.CE and Y10.CD2 other bump:1.60851 Ang M7.SD and Y10.CD2 other bump:1.77816 Ang M7.CG and Y10.CD1 neighbor-bump: 0.881207 Ang A9.O and Y10.CD1 neighbor-bump: 2.08193 Ang A9.C and Y10.CD1 other bump:1.96115 Ang M7.SD and Y10.CD1 other bump:2.64111 Ang M7.CG and Y10.CG neighbor-bump: 1.82598 Ang A9.O and Y10.CG neighbor-bump: 2.69175 Ang A9.C and Y10.CG other bump:1.80016 Ang M7.SD and Y10.CG other bump:2.4801 Ang M7.CG and A9.O other bump:2.82597 Ang M7.SD and A9.O neighbor-bump: 2.26565 Ang S6.O and M7.O self-bump: 1.27164 Ang N4.CA and N4.CB neighbor-bump: 2.12882 Ang G1.C and P2.CD Number of specific fragments= 1 total=352 # 1ggwA.33.34 read from T0180.t2k.frag # found chain 1ggwA in template set T0180 33 :PANTSMSAY 1ggwA 36 :GQNPTLAEI Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38813 Ang T5.OG1 and Y10.CZ other bump:2.22279 Ang T5.OG1 and Y10.CE1 other bump:2.98119 Ang T5.OG1 and Y10.CD1 neighbor-bump: 0.707264 Ang G1.O and P2.CD neighbor-bump: 1.25461 Ang G1.C and P2.CD self-bump: 2.24709 Ang P2.CA and P2.CD neighbor-bump: 2.05336 Ang G1.O and P2.CG neighbor-bump: 2.62992 Ang G1.C and P2.CG self-bump: 2.05246 Ang P2.CA and P2.CG self-bump: 1.24766 Ang P2.CA and P2.CB Number of specific fragments= 1 total=353 # 1dcfA.33.34 read from T0180.t2k.frag # found chain 1dcfA in template set T0180 33 :PANTSMSAY 1dcfA 35 :TTVSSNEEC Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76921 Ang N4.CG and A9.CB other bump:2.57217 Ang N4.ND2 and A9.CB other bump:2.30712 Ang N4.OD1 and A9.CB Number of specific fragments= 1 total=354 # 1ezvA.34.37 read from T0180.t2k.frag # found chain 1ezvA in template set T0180 34 :ANTSMSAYI 1ezvA 64 :YNNGVSNLW Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78029 Ang N3.CB and M6.SD other bump:2.88562 Ang N3.CG and M6.SD other bump:2.37137 Ang N3.OD1 and M6.SD other bump:2.52788 Ang N3.O and M6.CG neighbor-bump: 1.9911 Ang T4.O and S5.OG neighbor-bump: 2.59156 Ang T4.C and S5.OG neighbor-bump: 1.88331 Ang T4.O and S5.CB neighbor-bump: 2.37403 Ang T4.C and S5.CB Number of specific fragments= 1 total=355 # 1kyoA.34.37 read from T0180.t2k.frag # found chain 1kyoA in template set T0180 34 :ANTSMSAYI 1kyoA 64 :YNNGVSNLW Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41115 Ang N3.O and M6.CG neighbor-bump: 2.7609 Ang T4.C and S5.OG neighbor-bump: 2.3744 Ang T4.C and S5.CB neighbor-bump: 1.95712 Ang T4.O and S5.CB Number of specific fragments= 1 total=356 # 1k77A.34.37 read from T0180.t2k.frag # found chain 1k77A in template set T0180 34 :ANTSMSAYI 1k77A 38 :YNYSTLQIQ Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67152 Ang T4.CG2 and Y9.OH other bump:2.20466 Ang T4.OG1 and Y9.CZ other bump:3.09457 Ang T4.CG2 and Y9.CZ other bump:2.31727 Ang T4.CB and Y9.CE1 other bump:1.26689 Ang T4.OG1 and Y9.CE1 other bump:2.38709 Ang T4.OG1 and Y9.CD1 Number of specific fragments= 1 total=357 # 1ddf.34.34 read from T0180.t2k.frag # adding 1ddf to template set 1ddf:# found chain 1ddf in template set T0180 34 :ANTSMSAYI 1ddf 235 :KNGVNEAKI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.2802 Ang N3.O and T4.OG1 Number of specific fragments= 1 total=358 # 2cas.34.34 read from T0180.t2k.frag # adding 2cas to template set 2cas:# found chain 2cas in template set T0180 34 :ANTSMSAYI 2cas 71 :LNMPESENY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.90495 Ang S5.OG and S7.O Number of specific fragments= 1 total=359 # 1sxl.34.35 read from T0180.t2k.frag # found chain 1sxl in template set T0180 34 :ANTSMSAYI 1sxl 36 :KYGSIVQKN Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.95811 Ang M6.CB and Y9.OH other bump:2.13759 Ang M6.CG and Y9.OH other bump:2.55199 Ang M6.SD and Y9.OH other bump:1.99165 Ang M6.CE and Y9.OH other bump:2.12372 Ang M6.CB and Y9.CZ other bump:1.33337 Ang M6.CG and Y9.CZ other bump:1.25675 Ang M6.SD and Y9.CZ other bump:1.46838 Ang M6.CE and Y9.CZ other bump:2.53865 Ang M6.CG and Y9.CE2 other bump:1.32153 Ang M6.SD and Y9.CE2 other bump:0.752561 Ang M6.CE and Y9.CE2 other bump:2.95477 Ang M6.CA and Y9.CE1 other bump:1.84721 Ang M6.CB and Y9.CE1 neighbor-bump: 2.15947 Ang A8.O and Y9.CE1 other bump:0.433768 Ang M6.CG and Y9.CE1 other bump:1.53893 Ang M6.SD and Y9.CE1 other bump:2.76381 Ang M6.CE and Y9.CE1 other bump:3.06819 Ang M6.CG and Y9.CD2 other bump:1.59565 Ang M6.SD and Y9.CD2 other bump:2.08532 Ang M6.CE and Y9.CD2 neighbor-bump: 1.04415 Ang A8.O and Y9.CD1 other bump:1.79948 Ang M6.CG and Y9.CD1 other bump:1.81022 Ang M6.SD and Y9.CD1 neighbor-bump: 2.24846 Ang A8.C and Y9.CD1 neighbor-bump: 1.93752 Ang A8.O and Y9.CG other bump:2.78404 Ang M6.CG and Y9.CG other bump:1.79564 Ang M6.SD and Y9.CG neighbor-bump: 2.81184 Ang A8.C and Y9.CG other bump:2.4801 Ang M6.CG and A8.O other bump:2.82597 Ang M6.SD and A8.O neighbor-bump: 2.26565 Ang S5.O and M6.O self-bump: 1.27164 Ang N3.CA and N3.CB Number of specific fragments= 1 total=360 # 1ezvA.35.38 read from T0180.t2k.frag # found chain 1ezvA in template set T0180 35 :NTSMSAYIR 1ezvA 65 :NNGVSNLWK Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78029 Ang N2.CB and M5.SD other bump:2.88562 Ang N2.CG and M5.SD other bump:2.37137 Ang N2.OD1 and M5.SD other bump:2.52788 Ang N2.O and M5.CG neighbor-bump: 1.9911 Ang T3.O and S4.OG neighbor-bump: 2.59156 Ang T3.C and S4.OG neighbor-bump: 1.88331 Ang T3.O and S4.CB neighbor-bump: 2.37403 Ang T3.C and S4.CB Number of specific fragments= 1 total=361 # 1kyoA.35.38 read from T0180.t2k.frag # found chain 1kyoA in template set T0180 35 :NTSMSAYIR 1kyoA 65 :NNGVSNLWK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41115 Ang N2.O and M5.CG neighbor-bump: 2.7609 Ang T3.C and S4.OG neighbor-bump: 2.3744 Ang T3.C and S4.CB neighbor-bump: 1.95712 Ang T3.O and S4.CB Number of specific fragments= 1 total=362 # 1dqiA.35.41 read from T0180.t2k.frag # adding 1dqiA to template set 1dqiA:# found chain 1dqiA in template set T0180 35 :NTSMSAYIR 1dqiA 42 :PNTTEHHIR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.12 Ang Y8.CZ and R10.NE other bump:2.73065 Ang Y8.OH and R10.NE other bump:3.08683 Ang Y8.CE2 and R10.CD Number of specific fragments= 1 total=363 # 1do6A.35.41 read from T0180.t2k.frag # adding 1do6A to template set 1do6A:# found chain 1do6A in template set T0180 35 :NTSMSAYIR 1do6A 42 :PNTTEHHIR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06819 Ang Y8.CZ and R10.NE other bump:2.65068 Ang Y8.OH and R10.NE other bump:3.04913 Ang Y8.CE2 and R10.CD Number of specific fragments= 1 total=364 # 2cas.35.35 read from T0180.t2k.frag # found chain 2cas in template set T0180 35 :NTSMSAYIR 2cas 72 :NMPESENYR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.90495 Ang S4.OG and S6.O Number of specific fragments= 1 total=365 # 1k77A.35.38 read from T0180.t2k.frag # found chain 1k77A in template set T0180 35 :NTSMSAYIR 1k77A 39 :NYSTLQIQK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67152 Ang T3.CG2 and Y8.OH other bump:3.09457 Ang T3.CG2 and Y8.CZ other bump:2.20466 Ang T3.OG1 and Y8.CZ other bump:2.31727 Ang T3.CB and Y8.CE1 other bump:1.26689 Ang T3.OG1 and Y8.CE1 other bump:2.38709 Ang T3.OG1 and Y8.CD1 Number of specific fragments= 1 total=366 # 1ezvA.36.39 read from T0180.t2k.frag # found chain 1ezvA in template set T0180 36 :TSMSAYIRR 1ezvA 66 :NGVSNLWKN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.94097 Ang R9.NH2 and R10.NE other bump:2.52788 Ang G1.O and M4.CG neighbor-bump: 1.99109 Ang T2.O and S3.OG neighbor-bump: 2.59155 Ang T2.C and S3.OG neighbor-bump: 1.8833 Ang T2.O and S3.CB neighbor-bump: 2.37402 Ang T2.C and S3.CB Number of specific fragments= 1 total=367 # 1kyoA.36.39 read from T0180.t2k.frag # found chain 1kyoA in template set T0180 36 :TSMSAYIRR 1kyoA 66 :NGVSNLWKN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41115 Ang G1.O and M4.CG neighbor-bump: 2.7609 Ang T2.C and S3.OG neighbor-bump: 1.95712 Ang T2.O and S3.CB neighbor-bump: 2.37441 Ang T2.C and S3.CB Number of specific fragments= 1 total=368 # 1dqiA.36.42 read from T0180.t2k.frag # found chain 1dqiA in template set T0180 36 :TSMSAYIRR 1dqiA 43 :NTTEHHIRY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.12 Ang Y7.CZ and R9.NE other bump:2.73065 Ang Y7.OH and R9.NE other bump:3.08683 Ang Y7.CE2 and R9.CD Number of specific fragments= 1 total=369 # 2cas.36.36 read from T0180.t2k.frag # found chain 2cas in template set T0180 36 :TSMSAYIRR 2cas 73 :MPESENYRR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.90495 Ang S3.OG and S5.O Number of specific fragments= 1 total=370 # 1do6A.36.42 read from T0180.t2k.frag # found chain 1do6A in template set T0180 36 :TSMSAYIRR 1do6A 43 :NTTEHHIRY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06819 Ang Y7.CZ and R9.NE other bump:2.65068 Ang Y7.OH and R9.NE other bump:3.04913 Ang Y7.CE2 and R9.CD Number of specific fragments= 1 total=371 # 1c8gA.36.36 read from T0180.t2k.frag # adding 1c8gA to template set 1c8gA:# found chain 1c8gA in template set T0180 36 :TSMSAYIRR 1c8gA 73 :MPESENYKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=372 # 1ezvA.37.40 read from T0180.t2k.frag # found chain 1ezvA in template set T0180 37 :SMSAYIRRI 1ezvA 67 :GVSNLWKNI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.94095 Ang R8.NH2 and R9.NE Number of specific fragments= 1 total=373 # 1kyoA.37.40 read from T0180.t2k.frag # found chain 1kyoA in template set T0180 37 :SMSAYIRRI 1kyoA 67 :GVSNLWKNI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=374 # 2cas.37.37 read from T0180.t2k.frag # found chain 2cas in template set T0180 37 :SMSAYIRRI 2cas 74 :PESENYRRV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.92818 Ang S2.OG and S4.O Number of specific fragments= 1 total=375 # 1dqiA.37.43 read from T0180.t2k.frag # found chain 1dqiA in template set T0180 37 :SMSAYIRRI 1dqiA 44 :TTEHHIRYI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.12 Ang Y6.CZ and R8.NE other bump:2.73065 Ang Y6.OH and R8.NE other bump:3.08683 Ang Y6.CE2 and R8.CD Number of specific fragments= 1 total=376 # 1do6A.37.43 read from T0180.t2k.frag # found chain 1do6A in template set T0180 37 :SMSAYIRRI 1do6A 44 :TTEHHIRYI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06819 Ang Y6.CZ and R8.NE other bump:2.65068 Ang Y6.OH and R8.NE other bump:3.04913 Ang Y6.CE2 and R8.CD Number of specific fragments= 1 total=377 # 1c8gA.37.37 read from T0180.t2k.frag # found chain 1c8gA in template set T0180 37 :SMSAYIRRI 1c8gA 74 :PESENYKRV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=378 # 2cas.38.38 read from T0180.t2k.frag # found chain 2cas in template set T0180 38 :MSAYIRRII 2cas 75 :ESENYRRVV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08441 Ang M2.CE and R7.NE Number of specific fragments= 1 total=379 # 1ezvA.38.41 read from T0180.t2k.frag # found chain 1ezvA in template set T0180 38 :MSAYIRRII 1ezvA 68 :VSNLWKNIF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42276 Ang R7.O and I10.CG2 neighbor-bump: 2.94095 Ang R7.NH2 and R8.NE Number of specific fragments= 1 total=380 # 1kyoA.38.41 read from T0180.t2k.frag # found chain 1kyoA in template set T0180 38 :MSAYIRRII 1kyoA 68 :VSNLWKNIF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=381 # 1dqiA.38.44 read from T0180.t2k.frag # found chain 1dqiA in template set T0180 38 :MSAYIRRII 1dqiA 45 :TEHHIRYIE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.12 Ang Y5.CZ and R7.NE other bump:2.73065 Ang Y5.OH and R7.NE other bump:3.08683 Ang Y5.CE2 and R7.CD Number of specific fragments= 1 total=382 # 1do6A.38.44 read from T0180.t2k.frag # found chain 1do6A in template set T0180 38 :MSAYIRRII 1do6A 45 :TEHHIRYIE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06819 Ang Y5.CZ and R7.NE other bump:2.65068 Ang Y5.OH and R7.NE other bump:3.04913 Ang Y5.CE2 and R7.CD Number of specific fragments= 1 total=383 # 1c8gA.38.38 read from T0180.t2k.frag # found chain 1c8gA in template set T0180 38 :MSAYIRRII 1c8gA 75 :ESENYKRVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=384 # 2cas.39.39 read from T0180.t2k.frag # found chain 2cas in template set T0180 39 :SAYIRRIIL 2cas 76 :SENYRRVVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=385 # 1ezvA.39.42 read from T0180.t2k.frag # found chain 1ezvA in template set T0180 39 :SAYIRRIIL 1ezvA 69 :SNLWKNIFL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.94095 Ang R6.NH2 and R7.NE Number of specific fragments= 1 total=386 # 1kyoA.39.42 read from T0180.t2k.frag # found chain 1kyoA in template set T0180 39 :SAYIRRIIL 1kyoA 69 :SNLWKNIFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=387 # 1dqiA.39.45 read from T0180.t2k.frag # found chain 1dqiA in template set T0180 39 :SAYIRRIIL 1dqiA 46 :EHHIRYIEL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.12 Ang Y4.CZ and R6.NE other bump:2.73065 Ang Y4.OH and R6.NE other bump:3.08683 Ang Y4.CE2 and R6.CD Number of specific fragments= 1 total=388 # 1c8gA.39.39 read from T0180.t2k.frag # found chain 1c8gA in template set T0180 39 :SAYIRRIIL 1c8gA 76 :SENYKRVVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=389 # 1do6A.39.45 read from T0180.t2k.frag # found chain 1do6A in template set T0180 39 :SAYIRRIIL 1do6A 46 :EHHIRYIEL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06819 Ang Y4.CZ and R6.NE other bump:2.65068 Ang Y4.OH and R6.NE other bump:3.04913 Ang Y4.CE2 and R6.CD Number of specific fragments= 1 total=390 # 2cas.40.40 read from T0180.t2k.frag # found chain 2cas in template set T0180 40 :AYIRRIILN 2cas 77 :ENYRRVVVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=391 # 1ezvA.40.43 read from T0180.t2k.frag # found chain 1ezvA in template set T0180 40 :AYIRRIILN 1ezvA 70 :NLWKNIFLS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32823 Ang I7.CB and N10.OD1 other bump:1.67001 Ang I7.CA and N10.OD1 other bump:1.97871 Ang I7.O and N10.OD1 other bump:2.07423 Ang I7.C and N10.OD1 other bump:2.89955 Ang I7.CA and N10.ND2 other bump:2.52216 Ang I7.CA and N10.CG other bump:2.96065 Ang I7.C and N10.CG neighbor-bump: 2.94095 Ang R5.NH2 and R6.NE Number of specific fragments= 1 total=392 # 1c8gA.40.40 read from T0180.t2k.frag # found chain 1c8gA in template set T0180 40 :AYIRRIILN 1c8gA 77 :ENYKRVVVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=393 # 1dqiA.40.46 read from T0180.t2k.frag # found chain 1dqiA in template set T0180 40 :AYIRRIILN 1dqiA 47 :HHIRYIELY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.12 Ang Y3.CZ and R5.NE other bump:2.73065 Ang Y3.OH and R5.NE other bump:3.08683 Ang Y3.CE2 and R5.CD Number of specific fragments= 1 total=394 # 1kyoA.40.43 read from T0180.t2k.frag # found chain 1kyoA in template set T0180 40 :AYIRRIILN 1kyoA 70 :NLWKNIFLS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17702 Ang I7.CA and N10.OD1 other bump:1.19758 Ang I7.O and N10.OD1 other bump:1.83177 Ang I7.C and N10.OD1 other bump:2.75216 Ang I7.CB and N10.OD1 other bump:2.50144 Ang I7.CA and N10.ND2 other bump:2.6136 Ang I7.CA and N10.CG other bump:2.11202 Ang I7.O and N10.CG other bump:2.62738 Ang I7.C and N10.CG Number of specific fragments= 1 total=395 # 1do6A.40.46 read from T0180.t2k.frag # found chain 1do6A in template set T0180 40 :AYIRRIILN 1do6A 47 :HHIRYIELY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06819 Ang Y3.CZ and R5.NE other bump:2.65068 Ang Y3.OH and R5.NE other bump:3.04913 Ang Y3.CE2 and R5.CD Number of specific fragments= 1 total=396 # 2cas.41.41 read from T0180.t2k.frag # found chain 2cas in template set T0180 41 :YIRRIILNH 2cas 78 :NYRRVVVNN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=397 # 1c8gA.41.41 read from T0180.t2k.frag # found chain 1c8gA in template set T0180 41 :YIRRIILNH 1c8gA 78 :NYKRVVVNN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=398 # 1ezvA.41.44 read from T0180.t2k.frag # found chain 1ezvA in template set T0180 41 :YIRRIILNH 1ezvA 71 :LWKNIFLSK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.94094 Ang R4.NH2 and R5.NE Number of specific fragments= 1 total=399 # 1kyoA.41.44 read from T0180.t2k.frag # found chain 1kyoA in template set T0180 41 :YIRRIILNH 1kyoA 71 :LWKNIFLSK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49595 Ang I6.O and N9.CG Number of specific fragments= 1 total=400 # 1lre.41.41 read from T0180.t2k.frag # adding 1lre to template set 1lre:# found chain 1lre in template set T0180 41 :YIRRIILNH 1lre 58 :AWKKLKLDG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.71196 Ang I6.CG2 and G11.CA other bump:2.06375 Ang R5.NE and N9.ND2 other bump:0.874336 Ang R5.CZ and N9.ND2 other bump:1.5489 Ang R5.NH2 and N9.ND2 other bump:0.958628 Ang R5.NH1 and N9.ND2 other bump:2.07291 Ang R5.NH1 and N9.CB other bump:2.65648 Ang R4.O and L8.CD1 other bump:3.23156 Ang I3.C and I6.N Number of specific fragments= 1 total=401 # 1dqiA.41.47 read from T0180.t2k.frag # found chain 1dqiA in template set T0180 41 :YIRRIILNH 1dqiA 48 :HIRYIELYF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.12 Ang Y2.CZ and R4.NE other bump:2.73065 Ang Y2.OH and R4.NE other bump:3.08683 Ang Y2.CE2 and R4.CD Number of specific fragments= 1 total=402 # 2cas.42.42 read from T0180.t2k.frag # found chain 2cas in template set T0180 42 :IRRIILNHL 2cas 79 :YRRVVVNNM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=403 # 1lre.42.42 read from T0180.t2k.frag # found chain 1lre in template set T0180 42 :IRRIILNHL 1lre 59 :WKKLKLDGL Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82988 Ang I5.CG2 and G11.N other bump:2.95137 Ang I5.CG2 and L10.C other bump:2.92019 Ang I5.CG2 and L10.CG other bump:1.6849 Ang I5.CG2 and L10.CB other bump:3.2311 Ang I5.CA and L10.CB other bump:2.79265 Ang I5.CB and L10.CB other bump:2.71196 Ang I5.CG2 and L10.CA other bump:2.06375 Ang R4.NE and N8.ND2 other bump:0.874333 Ang R4.CZ and N8.ND2 other bump:1.5489 Ang R4.NH2 and N8.ND2 other bump:0.958624 Ang R4.NH1 and N8.ND2 other bump:2.07291 Ang R4.NH1 and N8.CB other bump:2.65648 Ang R3.O and L7.CD1 other bump:3.13173 Ang I2.CD1 and I5.CB other bump:3.23156 Ang I2.C and I5.N Number of specific fragments= 1 total=404 # 1c8gA.42.42 read from T0180.t2k.frag # found chain 1c8gA in template set T0180 42 :IRRIILNHL 1c8gA 79 :YKRVVVNNM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=405 # 1dqiA.42.48 read from T0180.t2k.frag # found chain 1dqiA in template set T0180 42 :IRRIILNHL 1dqiA 49 :IRYIELYFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=406 # 1ezvA.42.45 read from T0180.t2k.frag # found chain 1ezvA in template set T0180 42 :IRRIILNHL 1ezvA 72 :WKNIFLSKE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.94094 Ang R3.NH2 and R4.NE Number of specific fragments= 1 total=407 # 1do6A.42.48 read from T0180.t2k.frag # found chain 1do6A in template set T0180 42 :IRRIILNHL 1do6A 49 :IRYIELYFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=408 # 2cas.43.43 read from T0180.t2k.frag # found chain 2cas in template set T0180 43 :RRIILNHLE 2cas 80 :RRVVVNNMD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40121 Ang N7.OD1 and L9.CD1 Number of specific fragments= 1 total=409 # 1lre.43.43 read from T0180.t2k.frag # found chain 1lre in template set T0180 43 :RRIILNHLE 1lre 60 :KKLKLDGLD Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67757 Ang I5.CG1 and E10.OE1 other bump:2.73688 Ang I5.CD1 and E10.OE1 other bump:3.28301 Ang I5.CG1 and E10.CD other bump:2.82988 Ang I4.CG2 and E10.N other bump:2.95137 Ang I4.CG2 and L9.C other bump:2.92019 Ang I4.CG2 and L9.CG other bump:3.2311 Ang I4.CA and L9.CB other bump:2.79265 Ang I4.CB and L9.CB other bump:1.6849 Ang I4.CG2 and L9.CB other bump:2.71196 Ang I4.CG2 and L9.CA other bump:2.06374 Ang R3.NE and N7.ND2 other bump:0.874333 Ang R3.CZ and N7.ND2 other bump:1.5489 Ang R3.NH2 and N7.ND2 other bump:0.958628 Ang R3.NH1 and N7.ND2 other bump:2.07291 Ang R3.NH1 and N7.CB other bump:2.65648 Ang R2.O and L6.CD1 other bump:3.23156 Ang G1.C and I4.N Number of specific fragments= 1 total=410 # 1c8gA.43.43 read from T0180.t2k.frag # found chain 1c8gA in template set T0180 43 :RRIILNHLE 1c8gA 80 :KRVVVNNMD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=411 # 1dqiA.43.49 read from T0180.t2k.frag # found chain 1dqiA in template set T0180 43 :RRIILNHLE 1dqiA 50 :RYIELYFLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=412 # 2cy3.43.43 read from T0180.t2k.frag # found chain 2cy3 in training set T0180 43 :RRIILNHLE 2cy3 44 :CVQCHHTLE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.96195 Ang N7.ND2 and H8.CD2 Number of specific fragments= 1 total=413 # 1do6A.43.49 read from T0180.t2k.frag # found chain 1do6A in template set T0180 43 :RRIILNHLE 1do6A 50 :RYIELYFLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=414 # 1lre.44.44 read from T0180.t2k.frag # found chain 1lre in template set T0180 44 :RIILNHLED 1lre 61 :KLKLDGLDE Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82988 Ang I3.CG2 and E9.N other bump:2.95137 Ang I3.CG2 and L8.C other bump:2.92019 Ang I3.CG2 and L8.CG other bump:3.2311 Ang I3.CA and L8.CB other bump:2.79265 Ang I3.CB and L8.CB other bump:1.6849 Ang I3.CG2 and L8.CB other bump:2.71196 Ang I3.CG2 and L8.CA other bump:2.06375 Ang R2.NE and N6.ND2 other bump:0.874337 Ang R2.CZ and N6.ND2 other bump:1.5489 Ang R2.NH2 and N6.ND2 other bump:0.958628 Ang R2.NH1 and N6.ND2 other bump:2.07291 Ang R2.NH1 and N6.CB other bump:2.65648 Ang G1.O and L5.CD1 Number of specific fragments= 1 total=415 # 2cas.44.44 read from T0180.t2k.frag # found chain 2cas in template set T0180 44 :RIILNHLED 2cas 81 :RVVVNNMDK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.64322 Ang H7.O and D10.OD1 other bump:2.63242 Ang H7.C and D10.OD1 other bump:2.40121 Ang N6.OD1 and L8.CD1 Number of specific fragments= 1 total=416 # 2cy3.44.44 read from T0180.t2k.frag # found chain 2cy3 in training set T0180 44 :RIILNHLED 2cy3 45 :VQCHHTLEA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.96195 Ang N6.ND2 and H7.CD2 other bump:2.24323 Ang R2.NH1 and H7.N other bump:2.69724 Ang R2.CZ and N6.C other bump:1.57277 Ang R2.NH1 and N6.C other bump:1.96736 Ang R2.CZ and N6.O other bump:1.44702 Ang R2.NH1 and N6.O other bump:2.09134 Ang R2.NH2 and N6.O other bump:2.486 Ang R2.NH1 and N6.CA Number of specific fragments= 1 total=417 # 1c8gA.44.44 read from T0180.t2k.frag # found chain 1c8gA in template set T0180 44 :RIILNHLED 1c8gA 81 :RVVVNNMDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=418 # 1dqiA.44.50 read from T0180.t2k.frag # found chain 1dqiA in template set T0180 44 :RIILNHLED 1dqiA 51 :YIELYFLPE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=419 # 1do6A.44.50 read from T0180.t2k.frag # found chain 1do6A in template set T0180 44 :RIILNHLED 1do6A 51 :YIELYFLPE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=420 # 1lre.45.45 read from T0180.t2k.frag # found chain 1lre in template set T0180 45 :IILNHLEDD 1lre 62 :LKLDGLDED Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82988 Ang I2.CG2 and E8.N other bump:2.95137 Ang I2.CG2 and L7.C other bump:2.92019 Ang I2.CG2 and L7.CG other bump:3.2311 Ang I2.CA and L7.CB other bump:2.79265 Ang I2.CB and L7.CB other bump:1.6849 Ang I2.CG2 and L7.CB other bump:2.71196 Ang I2.CG2 and L7.CA Number of specific fragments= 1 total=421 # 2cas.45.45 read from T0180.t2k.frag # found chain 2cas in template set T0180 45 :IILNHLEDD 2cas 82 :VVVNNMDKT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.64321 Ang H6.O and D9.OD1 other bump:2.63241 Ang H6.C and D9.OD1 other bump:2.40121 Ang N5.OD1 and L7.CD1 Number of specific fragments= 1 total=422 # 2cy3.45.45 read from T0180.t2k.frag # found chain 2cy3 in training set T0180 45 :IILNHLEDD 2cy3 46 :QCHHTLEAD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.96195 Ang N5.ND2 and H6.CD2 Number of specific fragments= 1 total=423 # 1mrg.45.47 read from T0180.t2k.frag # adding 1mrg to template set 1mrg:Skipped atom 678, because occupancy 0.5 <= existing 0.500001 Skipped atom 680, because occupancy 0.5 <= existing 0.500001 Skipped atom 682, because occupancy 0.5 <= existing 0.500001 Skipped atom 684, 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 692, because occupancy 0.5 <= existing 0.500001 # found chain 1mrg in template set T0180 45 :IILNHLEDD 1mrg 48 :LLMHLFNRD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=424 # 1c8gA.45.45 read from T0180.t2k.frag # found chain 1c8gA in template set T0180 45 :IILNHLEDD 1c8gA 82 :VVVNNMDKT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=425 # 1dqiA.45.51 read from T0180.t2k.frag # found chain 1dqiA in template set T0180 45 :IILNHLEDD 1dqiA 52 :IELYFLPEG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=426 # 1lre.46.46 read from T0180.t2k.frag # found chain 1lre in template set T0180 46 :ILNHLEDDG 1lre 63 :KLDGLDEDG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=427 # 2cy3.46.46 read from T0180.t2k.frag # found chain 2cy3 in training set T0180 46 :ILNHLEDDG 2cy3 47 :CHHTLEADG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.96195 Ang N4.ND2 and H5.CD2 Number of specific fragments= 1 total=428 # 2cas.46.46 read from T0180.t2k.frag # found chain 2cas in template set T0180 46 :ILNHLEDDG 2cas 83 :VVNNMDKTA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.64321 Ang H5.O and D8.OD1 other bump:2.63241 Ang H5.C and D8.OD1 other bump:2.40121 Ang N4.OD1 and L6.CD1 Number of specific fragments= 1 total=429 # 1mrg.46.48 read from T0180.t2k.frag # found chain 1mrg in template set T0180 46 :ILNHLEDDG 1mrg 49 :LMHLFNRDG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=430 # 1mrg.46.47 read from T0180.t2k.frag # found chain 1mrg in template set T0180 46 :ILNHLEDDG 1mrg 48 :LLMHLFNRD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=431 # 1mrj.46.47 read from T0180.t2k.frag # found chain 1mrj in training set T0180 46 :ILNHLEDDG 1mrj 48 :ALIHLTNYA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=432 # 1lre.47.47 read from T0180.t2k.frag # found chain 1lre in template set T0180 47 :LNHLEDDGG 1lre 64 :LDGLDEDGE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=433 # 2cy3.47.47 read from T0180.t2k.frag # found chain 2cy3 in training set T0180 47 :LNHLEDDGG 2cy3 48 :HHTLEADGG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.96195 Ang N3.ND2 and H4.CD2 Number of specific fragments= 1 total=434 # 2cas.47.47 read from T0180.t2k.frag # found chain 2cas in template set T0180 47 :LNHLEDDGG 2cas 84 :VNNMDKTAV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.64321 Ang H4.O and D7.OD1 other bump:2.63241 Ang H4.C and D7.OD1 other bump:2.40121 Ang N3.OD1 and L5.CD1 Number of specific fragments= 1 total=435 # 1mrg.47.49 read from T0180.t2k.frag # found chain 1mrg in template set T0180 47 :LNHLEDDGG 1mrg 50 :MHLFNRDGK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=436 # 1mrg.47.48 read from T0180.t2k.frag # found chain 1mrg in template set T0180 47 :LNHLEDDGG 1mrg 49 :LMHLFNRDG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=437 # 1mrj.47.48 read from T0180.t2k.frag # found chain 1mrj in training set T0180 47 :LNHLEDDGG 1mrj 49 :LIHLTNYAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=438 # 2cy3.48.48 read from T0180.t2k.frag # found chain 2cy3 in training set T0180 48 :NHLEDDGGG 2cy3 49 :HTLEADGGA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.95956 Ang N2.ND2 and H3.CD2 Number of specific fragments= 1 total=439 # 1lre.48.48 read from T0180.t2k.frag # found chain 1lre in template set T0180 48 :NHLEDDGGG 1lre 65 :DGLDEDGEK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87393 Ang E5.CG and G11.N Number of specific fragments= 1 total=440 # 2cas.48.48 read from T0180.t2k.frag # found chain 2cas in template set T0180 48 :NHLEDDGGG 2cas 85 :NNMDKTAVN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.64321 Ang H3.O and D6.OD1 other bump:2.63241 Ang H3.C and D6.OD1 other bump:2.40121 Ang N2.OD1 and L4.CD1 Number of specific fragments= 1 total=441 # 1mrg.48.49 read from T0180.t2k.frag # found chain 1mrg in template set T0180 48 :NHLEDDGGG 1mrg 50 :MHLFNRDGK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=442 # 1mrj.48.49 read from T0180.t2k.frag # found chain 1mrj in training set T0180 48 :NHLEDDGGG 1mrj 50 :IHLTNYADE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=443 # 1mrg.48.50 read from T0180.t2k.frag # found chain 1mrg in template set T0180 48 :NHLEDDGGG 1mrg 51 :HLFNRDGKT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=444 # 2cy3.49.49 read from T0180.t2k.frag # found chain 2cy3 in training set T0180 49 :HLEDDGGGG 2cy3 50 :TLEADGGAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=445 # 2cas.49.49 read from T0180.t2k.frag # found chain 2cas in template set T0180 49 :HLEDDGGGG 2cas 86 :NMDKTAVNG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63241 Ang H2.C and D5.OD1 other bump:1.64321 Ang H2.O and D5.OD1 Number of specific fragments= 1 total=446 # 1lre.49.49 read from T0180.t2k.frag # found chain 1lre in template set T0180 49 :HLEDDGGGG 1lre 66 :GLDEDGEKE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87393 Ang E4.CG and G10.N Number of specific fragments= 1 total=447 # 1c8gA.49.49 read from T0180.t2k.frag # found chain 1c8gA in template set T0180 49 :HLEDDGGGG 1c8gA 86 :NMDKTAVKG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=448 # 1mrj.49.50 read from T0180.t2k.frag # found chain 1mrj in training set T0180 49 :HLEDDGGGG 1mrj 51 :HLTNYADET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=449 # 1kbhB.49.50 read from T0180.t2k.frag # adding 1kbhB to template set 1kbhB:# found chain 1kbhB in template set T0180 49 :HLEDDGGG 1kbhB 98 :YVANQPGM Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.12878 Ang G1.O and D5.OD2 other bump:1.67333 Ang G1.C and E4.OE2 other bump:2.29121 Ang G1.O and E4.OE2 other bump:2.63134 Ang G1.C and E4.OE1 other bump:1.99159 Ang G1.C and E4.CD other bump:2.98044 Ang H2.N and E4.CD other bump:2.23505 Ang G1.O and E4.CD other bump:2.82288 Ang G1.C and E4.CG other bump:2.31902 Ang G1.O and E4.CG Number of specific fragments= 1 total=450 # 2cy3.50.50 read from T0180.t2k.frag # found chain 2cy3 in training set T0180 50 :LEDDGGGGG 2cy3 51 :LEADGGAVK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=451 # 2cas.50.50 read from T0180.t2k.frag # found chain 2cas in template set T0180 50 :LEDDGGGGG 2cas 87 :MDKTAVNGN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63242 Ang G1.C and D4.OD1 other bump:1.64322 Ang G1.O and D4.OD1 Number of specific fragments= 1 total=452 # 1c8gA.50.50 read from T0180.t2k.frag # found chain 1c8gA in template set T0180 50 :LEDDGGGGG 1c8gA 87 :MDKTAVKGN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=453 # 1ca1.50.52 read from T0180.t2k.frag # adding 1ca1 to template set 1ca1:# found chain 1ca1 in template set T0180 50 :LEDDGGGGG 1ca1 53 :TYPDYDKNA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=454 # 1hbzA.50.50 read from T0180.t2k.frag # adding 1hbzA to template set 1hbzA:Skipped atom 323, because occupancy 0.3 <= existing 0.700001 Skipped atom 325, because occupancy 0.3 <= existing 0.700001 Skipped atom 327, because occupancy 0.3 <= existing 0.700001 Skipped atom 329, because occupancy 0.3 <= existing 0.700001 Skipped atom 331, because occupancy 0.3 <= existing 0.700001 Skipped atom 333, because occupancy 0.3 <= existing 0.700001 Skipped atom 496, because occupancy 0.5 <= existing 0.500001 Skipped atom 498, because occupancy 0.5 <= existing 0.500001 Skipped atom 500, because occupancy 0.5 <= existing 0.500001 Skipped atom 502, because occupancy 0.5 <= existing 0.500001 Skipped atom 504, because occupancy 0.5 <= existing 0.500001 Skipped atom 773, because occupancy 0.5 <= existing 0.500001 Skipped atom 775, because occupancy 0.5 <= existing 0.500001 Skipped atom 777, because occupancy 0.5 <= existing 0.500001 Skipped atom 779, because occupancy 0.5 <= existing 0.500001 Skipped atom 781, because occupancy 0.5 <= existing 0.500001 Skipped atom 783, because occupancy 0.5 <= existing 0.500001 Skipped atom 785, because occupancy 0.5 <= existing 0.500001 Skipped atom 787, because occupancy 0.5 <= existing 0.500001 Skipped atom 789, because occupancy 0.5 <= existing 0.500001 Skipped atom 791, because occupancy 0.5 <= existing 0.500001 Skipped atom 793, because occupancy 0.5 <= existing 0.500001 Skipped atom 795, because occupancy 0.5 <= existing 0.500001 Skipped atom 1000, because occupancy 0.33 <= existing 0.330001 Skipped atom 1001, because occupancy 0.33 <= existing 0.330001 Skipped atom 1003, because occupancy 0.33 <= existing 0.330001 Skipped atom 1004, because occupancy 0.33 <= existing 0.330001 Skipped atom 1006, because occupancy 0.33 <= existing 0.330001 Skipped atom 1007, because occupancy 0.33 <= existing 0.330001 Skipped atom 2062, because occupancy 0.5 <= existing 0.500001 Skipped atom 2064, because occupancy 0.5 <= existing 0.500001 Skipped atom 2066, because occupancy 0.5 <= existing 0.500001 Skipped atom 2068, because occupancy 0.5 <= existing 0.500001 Skipped atom 3042, because occupancy 0.5 <= existing 0.500001 Skipped atom 3044, because occupancy 0.5 <= existing 0.500001 Skipped atom 3046, because occupancy 0.5 <= existing 0.500001 Skipped atom 3048, because occupancy 0.5 <= existing 0.500001 Skipped atom 3050, because occupancy 0.5 <= existing 0.500001 Skipped atom 3052, because occupancy 0.5 <= existing 0.500001 Skipped atom 3054, because occupancy 0.5 <= existing 0.500001 Skipped atom 3056, because occupancy 0.5 <= existing 0.500001 Skipped atom 3062, because occupancy 0.5 <= existing 0.500001 Skipped atom 3064, because occupancy 0.5 <= existing 0.500001 Skipped atom 3066, because occupancy 0.5 <= existing 0.500001 Skipped atom 3068, because occupancy 0.5 <= existing 0.500001 Skipped atom 3303, because occupancy 0.5 <= existing 0.500001 Skipped atom 3305, because occupancy 0.5 <= existing 0.500001 Skipped atom 3307, because occupancy 0.5 <= existing 0.500001 Skipped atom 3309, because occupancy 0.5 <= existing 0.500001 Skipped atom 3720, because occupancy 0.5 <= existing 0.500001 Skipped atom 3722, because occupancy 0.5 <= existing 0.500001 Skipped atom 3724, because occupancy 0.5 <= existing 0.500001 Skipped atom 3726, because occupancy 0.5 <= existing 0.500001 Skipped atom 3728, because occupancy 0.5 <= existing 0.500001 Skipped atom 3730, because occupancy 0.5 <= existing 0.500001 Skipped atom 3732, because occupancy 0.5 <= existing 0.500001 Skipped atom 3754, because occupancy 0.5 <= existing 0.500001 Skipped atom 3756, because occupancy 0.5 <= existing 0.500001 Skipped atom 3758, because occupancy 0.5 <= existing 0.500001 Skipped atom 3760, because occupancy 0.5 <= existing 0.500001 Skipped atom 3762, because occupancy 0.5 <= existing 0.500001 Skipped atom 3931, because occupancy 0.5 <= existing 0.500001 Skipped atom 3933, because occupancy 0.5 <= existing 0.500001 Skipped atom 3935, because occupancy 0.5 <= existing 0.500001 Skipped atom 3937, because occupancy 0.5 <= existing 0.500001 Skipped atom 3939, because occupancy 0.5 <= existing 0.500001 Skipped atom 3941, because occupancy 0.5 <= existing 0.500001 Skipped atom 3947, because occupancy 0.5 <= existing 0.500001 Skipped atom 3949, because occupancy 0.5 <= existing 0.500001 Skipped atom 3951, because occupancy 0.5 <= existing 0.500001 Skipped atom 3953, because occupancy 0.5 <= existing 0.500001 Skipped atom 3955, because occupancy 0.5 <= existing 0.500001 # found chain 1hbzA in template set T0180 50 :LEDDGGGGG 1hbzA 56 :PERRPHAKG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=455 # 1lre.50.50 read from T0180.t2k.frag # found chain 1lre in template set T0180 50 :LEDDGGGGG 1lre 67 :LDEDGEKEA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87393 Ang E3.CG and G9.N Number of specific fragments= 1 total=456 # 2cy3.51.51 read from T0180.t2k.frag # found chain 2cy3 in training set T0180 51 :EDDGGGGGG 2cy3 52 :EADGGAVKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=457 # 2cas.51.51 read from T0180.t2k.frag # found chain 2cas in template set T0180 51 :EDDGGGGGG 2cas 88 :DKTAVNGNM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=458 # 1hbzA.51.51 read from T0180.t2k.frag # found chain 1hbzA in template set T0180 51 :EDDGGGGGG 1hbzA 57 :ERRPHAKGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=459 # 1c8gA.51.51 read from T0180.t2k.frag # found chain 1c8gA in template set T0180 51 :EDDGGGGGG 1c8gA 88 :DKTAVKGNM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=460 # 1ca1.51.53 read from T0180.t2k.frag # found chain 1ca1 in template set T0180 51 :EDDGGGGGG 1ca1 54 :YPDYDKNAY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=461 # 1mspA.51.53 read from T0180.t2k.frag # adding 1mspA to template set 1mspA:# found chain 1mspA in template set T0180 51 :EDDGGGGGG 1mspA 54 :SVDPPCGVL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81245 Ang D3.OD1 and G5.C other bump:2.19923 Ang D3.OD1 and G5.O neighbor-bump: 2.75911 Ang D4.CA and G5.CA Number of specific fragments= 1 total=462 # 2cy3.52.52 read from T0180.t2k.frag # found chain 2cy3 in training set T0180 52 :DDGGGGGGG 2cy3 53 :ADGGAVKKC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=463 # 2cas.52.52 read from T0180.t2k.frag # found chain 2cas in template set T0180 52 :DDGGGGGGG 2cas 89 :KTAVNGNMA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=464 # 1hbzA.52.52 read from T0180.t2k.frag # found chain 1hbzA in template set T0180 52 :DDGGGGGGG 1hbzA 58 :RRPHAKGSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=465 # 1mspA.52.54 read from T0180.t2k.frag # found chain 1mspA in template set T0180 52 :DDGGGGGGG 1mspA 55 :VDPPCGVLD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.75911 Ang D3.CA and G4.CA Number of specific fragments= 1 total=466 # 1ca1.52.54 read from T0180.t2k.frag # found chain 1ca1 in template set T0180 52 :DDGGGGGGG 1ca1 55 :PDYDKNAYD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=467 # 1bw3.52.52 read from T0180.t2k.frag # adding 1bw3 to template set 1bw3:# found chain 1bw3 in template set T0180 52 :DDGGGGGGG 1bw3 53 :GPAGPRGQA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.39249 Ang D2.CB and D3.N self-bump: 2.16423 Ang D2.CB and D2.C self-bump: 1.25069 Ang D2.CA and D2.CB Number of specific fragments= 1 total=468 # 2cy3.53.53 read from T0180.t2k.frag # found chain 2cy3 in training set T0180 53 :DGGGGGGGG 2cy3 54 :DGGAVKKCT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=469 # 1hbzA.53.53 read from T0180.t2k.frag # found chain 1hbzA in template set T0180 53 :DGGGGGGGG 1hbzA 59 :RPHAKGSGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=470 # 2cas.53.53 read from T0180.t2k.frag # found chain 2cas in template set T0180 53 :DGGGGGGGG 2cas 90 :TAVNGNMAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=471 # 1bw3.53.53 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 53 :DGGGGGGGG 1bw3 54 :PAGPRGQAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=472 # 1ca1.53.55 read from T0180.t2k.frag # found chain 1ca1 in template set T0180 53 :DGGGGGGGG 1ca1 56 :DYDKNAYDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=473 # 1mspA.53.55 read from T0180.t2k.frag # found chain 1mspA in template set T0180 53 :DGGGGGGGG 1mspA 56 :DPPCGVLDP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.75911 Ang D2.CA and G3.CA Number of specific fragments= 1 total=474 # 2cy3.54.54 read from T0180.t2k.frag # found chain 2cy3 in training set T0180 54 :GGGGGGGGG 2cy3 55 :GGAVKKCTT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=475 # 1hbzA.54.54 read from T0180.t2k.frag # found chain 1hbzA in template set T0180 54 :GGGGGGGGG 1hbzA 60 :PHAKGSGAF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=476 # 1bw3.54.54 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 54 :GGGGGGGGG 1bw3 55 :AGPRGQAAC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=477 # 1ca1.54.56 read from T0180.t2k.frag # found chain 1ca1 in template set T0180 54 :GGGGGGGGG 1ca1 57 :YDKNAYDLY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=478 # 2cas.54.54 read from T0180.t2k.frag # found chain 2cas in template set T0180 54 :GGGGGGGGG 2cas 91 :AVNGNMALD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=479 # 1mspA.54.56 read from T0180.t2k.frag # found chain 1mspA in template set T0180 54 :GGGGGGGGG 1mspA 57 :PPCGVLDPK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=480 # 1hbzA.55.55 read from T0180.t2k.frag # found chain 1hbzA in template set T0180 55 :GGGGGGGGG 1hbzA 61 :HAKGSGAFG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=481 # 1bw3.55.55 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 55 :GGGGGGGGG 1bw3 56 :GPRGQAACG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=482 # 2cy3.55.55 read from T0180.t2k.frag # found chain 2cy3 in training set T0180 55 :GGGGGGGGG 2cy3 56 :GAVKKCTTS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=483 # 1ca1.55.57 read from T0180.t2k.frag # found chain 1ca1 in template set T0180 55 :GGGGGGGGG 1ca1 58 :DKNAYDLYQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=484 # 1mspA.55.57 read from T0180.t2k.frag # found chain 1mspA in template set T0180 55 :GGGGGGGGG 1mspA 58 :PCGVLDPKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=485 # 1grwA.55.57 read from T0180.t2k.frag # adding 1grwA to template set 1grwA:# found chain 1grwA in template set T0180 55 :GGGGGGGGG 1grwA 58 :PCGVLDPKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=486 # 1hbzA.56.56 read from T0180.t2k.frag # found chain 1hbzA in template set T0180 56 :GGGGGGGGG 1hbzA 62 :AKGSGAFGE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=487 # 1bw3.56.56 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 56 :GGGGGGGGG 1bw3 57 :PRGQAACGK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=488 # 1ca1.56.58 read from T0180.t2k.frag # found chain 1ca1 in template set T0180 56 :GGGGGGGGG 1ca1 59 :KNAYDLYQD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=489 # 1grwA.56.58 read from T0180.t2k.frag # found chain 1grwA in template set T0180 56 :GGGGGGGGG 1grwA 59 :CGVLDPKEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=490 # 1mspA.56.58 read from T0180.t2k.frag # found chain 1mspA in template set T0180 56 :GGGGGGGGG 1mspA 59 :CGVLDPKEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=491 # 2cy3.56.56 read from T0180.t2k.frag # found chain 2cy3 in training set T0180 56 :GGGGGGGGG 2cy3 57 :AVKKCTTSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=492 # 1bw3.57.57 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 57 :GGGGGGGGG 1bw3 58 :RGQAACGKC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=493 # 1hbzA.57.57 read from T0180.t2k.frag # found chain 1hbzA in template set T0180 57 :GGGGGGGGG 1hbzA 63 :KGSGAFGEF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=494 # 1ca1.57.59 read from T0180.t2k.frag # found chain 1ca1 in template set T0180 57 :GGGGGGGGG 1ca1 60 :NAYDLYQDH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=495 # 1grwA.57.59 read from T0180.t2k.frag # found chain 1grwA in template set T0180 57 :GGGGGGGGG 1grwA 60 :GVLDPKEAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=496 # 1mspA.57.59 read from T0180.t2k.frag # found chain 1mspA in template set T0180 57 :GGGGGGGGG 1mspA 60 :GVLDPKEKV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=497 # 1bw4.57.57 read from T0180.t2k.frag # adding 1bw4 to template set 1bw4:# found chain 1bw4 in template set T0180 57 :GGGGGGGGG 1bw4 58 :RGQAACGKC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=498 # 1bw3.58.58 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 58 :GGGGGGGGM 1bw3 59 :GQAACGKCL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=499 # 1hbzA.58.58 read from T0180.t2k.frag # found chain 1hbzA in template set T0180 58 :GGGGGGGGM 1hbzA 64 :GSGAFGEFE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=500 # 1bw4.58.58 read from T0180.t2k.frag # found chain 1bw4 in template set T0180 58 :GGGGGGGGM 1bw4 59 :GQAACGKCL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=501 # 1grwA.58.60 read from T0180.t2k.frag # found chain 1grwA in template set T0180 58 :GGGGGGGGM 1grwA 61 :VLDPKEAVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=502 # 1mspA.58.60 read from T0180.t2k.frag # found chain 1mspA in template set T0180 58 :GGGGGGGGM 1mspA 61 :VLDPKEKVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=503 # 1ca1.58.60 read from T0180.t2k.frag # found chain 1ca1 in template set T0180 58 :GGGGGGGGM 1ca1 61 :AYDLYQDHF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=504 # 1bw3.59.59 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 59 :GGGGGGGMV 1bw3 60 :QAACGKCLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=505 # 1hbzA.59.59 read from T0180.t2k.frag # found chain 1hbzA in template set T0180 59 :GGGGGGGMV 1hbzA 65 :SGAFGEFEV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=506 # 1bw4.59.59 read from T0180.t2k.frag # found chain 1bw4 in template set T0180 59 :GGGGGGGMV 1bw4 60 :QAACGKCLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=507 # 1xjo.59.59 read from T0180.t2k.frag # adding 1xjo to template set 1xjo:# found chain 1xjo in template set T0180 59 :GGGGGGGMV 1xjo 60 :GGATGYNLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=508 # 1qq9A.59.59 read from T0180.t2k.frag # adding 1qq9A to template set 1qq9A:# found chain 1qq9A in template set T0180 59 :GGGGGGGMV 1qq9A 60 :GGATGYNLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=509 # 1grwA.59.61 read from T0180.t2k.frag # found chain 1grwA in template set T0180 59 :GGGGGGGMV 1grwA 62 :LDPKEAVLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=510 # 1bw3.60.60 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 60 :GGGGGGMVG 1bw3 61 :AACGKCLRV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=511 # 1bw4.60.60 read from T0180.t2k.frag # found chain 1bw4 in template set T0180 60 :GGGGGGMVG 1bw4 61 :AACGKCLRV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=512 # 1xjo.60.60 read from T0180.t2k.frag # found chain 1xjo in template set T0180 60 :GGGGGGMVG 1xjo 61 :GATGYNLIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=513 # 1qq9A.60.60 read from T0180.t2k.frag # found chain 1qq9A in template set T0180 60 :GGGGGGMVG 1qq9A 61 :GATGYNLIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=514 # 1i1dA.60.62 read from T0180.t2k.frag # adding 1i1dA to template set 1i1dA:Skipped atom 338, because occupancy 0.5 <= existing 0.500001 Skipped atom 340, because occupancy 0.5 <= existing 0.500001 Skipped atom 342, because occupancy 0.5 <= existing 0.500001 Skipped atom 344, because occupancy 0.5 <= existing 0.500001 Skipped atom 515, 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 920, because occupancy 0.5 <= existing 0.500001 Skipped atom 922, because occupancy 0.5 <= existing 0.500001 Skipped atom 924, because occupancy 0.5 <= existing 0.500001 Skipped atom 926, because occupancy 0.5 <= existing 0.500001 # found chain 1i1dA in template set T0180 60 :GGGGGGMVG 1i1dA 61 :QYNPMVIVD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=515 # 1hbzA.60.60 read from T0180.t2k.frag # found chain 1hbzA in template set T0180 60 :GGGGGGMVG 1hbzA 66 :GAFGEFEVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=516 # 1bw3.61.61 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 61 :GGGGGMVGR 1bw3 62 :ACGKCLRVT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.85476 Ang V8.CG1 and R10.NH2 other bump:2.54582 Ang V8.CG1 and R10.NH1 other bump:2.85901 Ang V8.CG1 and R10.CZ Number of specific fragments= 1 total=517 # 1xjo.61.61 read from T0180.t2k.frag # found chain 1xjo in template set T0180 61 :GGGGGMVGR 1xjo 62 :ATGYNLIAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=518 # 1qq9A.61.61 read from T0180.t2k.frag # found chain 1qq9A in template set T0180 61 :GGGGGMVGR 1qq9A 62 :ATGYNLIAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=519 # 1bw4.61.61 read from T0180.t2k.frag # found chain 1bw4 in template set T0180 61 :GGGGGMVGR 1bw4 62 :ACGKCLRVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=520 # 1i1dA.61.63 read from T0180.t2k.frag # found chain 1i1dA in template set T0180 61 :GGGGGMVGR 1i1dA 62 :YNPMVIVDK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73061 Ang V8.CB and R10.NH2 other bump:2.15339 Ang V8.CG1 and R10.NH2 other bump:3.15517 Ang V8.CG1 and R10.CZ Number of specific fragments= 1 total=521 # 1hbzA.61.61 read from T0180.t2k.frag # found chain 1hbzA in template set T0180 61 :GGGGGMVGR 1hbzA 67 :AFGEFEVTE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=522 # 1bw3.62.62 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 62 :GGGGMVGRR 1bw3 63 :CGKCLRVTN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=523 # 1xjo.62.62 read from T0180.t2k.frag # found chain 1xjo in template set T0180 62 :GGGGMVGRR 1xjo 63 :TGYNLIANW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=524 # 1qq9A.62.62 read from T0180.t2k.frag # found chain 1qq9A in template set T0180 62 :GGGGMVGRR 1qq9A 63 :TGYNLIANW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=525 # 1bw4.62.62 read from T0180.t2k.frag # found chain 1bw4 in template set T0180 62 :GGGGMVGRR 1bw4 63 :CGKCLRVTN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=526 # 1i1dA.62.64 read from T0180.t2k.frag # found chain 1i1dA in template set T0180 62 :GGGGMVGRR 1i1dA 63 :NPMVIVDKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=527 # 1hbzA.62.62 read from T0180.t2k.frag # found chain 1hbzA in template set T0180 62 :GGGGMVGRR 1hbzA 68 :FGEFEVTED Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=528 # 1bw3.63.63 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 63 :GGGMVGRRP 1bw3 64 :GKCLRVTNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=529 # 1xjo.63.63 read from T0180.t2k.frag # found chain 1xjo in template set T0180 63 :GGGMVGRRP 1xjo 64 :GYNLIANWP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=530 # 1qq9A.63.63 read from T0180.t2k.frag # found chain 1qq9A in template set T0180 63 :GGGMVGRRP 1qq9A 64 :GYNLIANWP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=531 # 1bw4.63.63 read from T0180.t2k.frag # found chain 1bw4 in template set T0180 63 :GGGMVGRRP 1bw4 64 :GKCLRVTNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=532 # 1i1dA.63.65 read from T0180.t2k.frag # found chain 1i1dA in template set T0180 63 :GGGMVGRRP 1i1dA 64 :PMVIVDKRT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.25335 Ang R9.CA and P10.CD neighbor-bump: 2.25926 Ang R9.CB and P10.CD neighbor-bump: 1.85608 Ang R9.C and P10.CD self-bump: 1.28766 Ang P10.N and P10.CD self-bump: 2.15319 Ang P10.N and P10.CG Number of specific fragments= 1 total=533 # 1reqA.63.64 read from T0180.t2k.frag # adding 1reqA to template set 1reqA:# found chain 1reqA in template set T0180 63 :GGGMVGRRP 1reqA 66 :GIPPFVHGP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.97985 Ang R8.O and R9.CG neighbor-bump: 2.83492 Ang R8.C and R9.CG Number of specific fragments= 1 total=534 # 1bw3.64.64 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 64 :GGMVGRRPG 1bw3 65 :KCLRVTNPA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=535 # 1qq9A.64.64 read from T0180.t2k.frag # found chain 1qq9A in template set T0180 64 :GGMVGRRPG 1qq9A 65 :YNLIANWPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=536 # 1xjo.64.64 read from T0180.t2k.frag # found chain 1xjo in template set T0180 64 :GGMVGRRPG 1xjo 65 :YNLIANWPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=537 # 1bw4.64.64 read from T0180.t2k.frag # found chain 1bw4 in template set T0180 64 :GGMVGRRPG 1bw4 65 :KCLRVTNPA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=538 # 1i1dA.64.66 read from T0180.t2k.frag # found chain 1i1dA in template set T0180 64 :GGMVGRRPG 1i1dA 65 :MVIVDKRTE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.25336 Ang R8.CA and P9.CD neighbor-bump: 2.25926 Ang R8.CB and P9.CD neighbor-bump: 1.85608 Ang R8.C and P9.CD self-bump: 1.28765 Ang P9.N and P9.CD self-bump: 2.1532 Ang P9.N and P9.CG Number of specific fragments= 1 total=539 # 1reqA.64.65 read from T0180.t2k.frag # found chain 1reqA in template set T0180 64 :GGMVGRRPG 1reqA 67 :IPPFVHGPY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.97985 Ang R7.O and R8.CG neighbor-bump: 2.83492 Ang R7.C and R8.CG Number of specific fragments= 1 total=540 # 1bw3.65.65 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 65 :GMVGRRPGG 1bw3 66 :CLRVTNPAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=541 # 1bw4.65.65 read from T0180.t2k.frag # found chain 1bw4 in template set T0180 65 :GMVGRRPGG 1bw4 66 :CLRVTNPAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=542 # 1qq9A.65.65 read from T0180.t2k.frag # found chain 1qq9A in template set T0180 65 :GMVGRRPGG 1qq9A 66 :NLIANWPGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=543 # 1xjo.65.65 read from T0180.t2k.frag # found chain 1xjo in template set T0180 65 :GMVGRRPGG 1xjo 66 :NLIANWPGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=544 # 1i1dA.65.67 read from T0180.t2k.frag # found chain 1i1dA in template set T0180 65 :GMVGRRPGG 1i1dA 66 :VIVDKRTET Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.85608 Ang R7.C and P8.CD self-bump: 1.28765 Ang P8.N and P8.CD neighbor-bump: 2.25336 Ang R7.CA and P8.CD neighbor-bump: 2.25926 Ang R7.CB and P8.CD self-bump: 2.1532 Ang P8.N and P8.CG Number of specific fragments= 1 total=545 # 1whi.65.65 read from T0180.t2k.frag # adding 1whi to template set 1whi:# found chain 1whi in template set T0180 65 :GMVGRRPGG 1whi 66 :KRGVRRPDG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.43116 Ang V4.CG1 and G5.N neighbor-bump: 2.25921 Ang M3.O and V4.CG2 neighbor-bump: 2.66974 Ang M3.C and V4.CG2 neighbor-bump: 1.9478 Ang M3.O and V4.CB neighbor-bump: 2.44783 Ang M3.C and V4.CB Number of specific fragments= 1 total=546 # 1bw3.66.66 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 66 :MVGRRPGGG 1bw3 67 :LRVTNPATG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=547 # 1bw4.66.66 read from T0180.t2k.frag # found chain 1bw4 in template set T0180 66 :MVGRRPGGG 1bw4 67 :LRVTNPATG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=548 # 1qq9A.66.66 read from T0180.t2k.frag # found chain 1qq9A in template set T0180 66 :MVGRRPGGG 1qq9A 67 :LIANWPGGD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=549 # 1xjo.66.66 read from T0180.t2k.frag # found chain 1xjo in template set T0180 66 :MVGRRPGGG 1xjo 67 :LIANWPGGD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=550 # 1whi.66.66 read from T0180.t2k.frag # found chain 1whi in template set T0180 66 :MVGRRPGGG 1whi 67 :RGVRRPDGS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.43116 Ang V3.CG1 and G4.N neighbor-bump: 2.25921 Ang M2.O and V3.CG2 neighbor-bump: 2.66974 Ang M2.C and V3.CG2 neighbor-bump: 1.9478 Ang M2.O and V3.CB neighbor-bump: 2.44783 Ang M2.C and V3.CB Number of specific fragments= 1 total=551 # 1reqA.66.67 read from T0180.t2k.frag # found chain 1reqA in template set T0180 66 :MVGRRPGGG 1reqA 69 :PFVHGPYAT Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26343 Ang R6.CZ and G11.CA other bump:1.28563 Ang R6.NH1 and G11.CA other bump:3.06883 Ang R6.NH2 and G11.CA other bump:2.30047 Ang R6.CZ and G11.N other bump:1.36291 Ang R6.NH1 and G11.N other bump:2.5971 Ang R6.NH2 and G11.N other bump:2.86669 Ang R6.CZ and G10.C other bump:2.46508 Ang R6.NH1 and G10.C other bump:2.5184 Ang R6.NH2 and G10.C other bump:3.1715 Ang R6.NH2 and G10.CA neighbor-bump: 1.97985 Ang R5.O and R6.CG neighbor-bump: 2.83492 Ang R5.C and R6.CG Number of specific fragments= 1 total=552 # 1bw3.67.67 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 67 :VGRRPGGGL 1bw3 68 :RVTNPATGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=553 # 1bw4.67.67 read from T0180.t2k.frag # found chain 1bw4 in template set T0180 67 :VGRRPGGGL 1bw4 68 :RVTNPATGA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03421 Ang R4.CD and G11.CA Number of specific fragments= 1 total=554 # 1whi.67.67 read from T0180.t2k.frag # found chain 1whi in template set T0180 67 :VGRRPGGGL 1whi 68 :GVRRPDGSY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.82936 Ang V2.CG1 and G3.CA neighbor-bump: 2.37632 Ang V2.CB and G3.N neighbor-bump: 1.68331 Ang V2.CG1 and G3.N self-bump: 2.19427 Ang V2.CB and V2.C self-bump: 2.3058 Ang V2.CG1 and V2.C self-bump: 1.31525 Ang V2.CA and V2.CB Number of specific fragments= 1 total=555 # 1qq9A.67.67 read from T0180.t2k.frag # found chain 1qq9A in template set T0180 67 :VGRRPGGGL 1qq9A 68 :IANWPGGDP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=556 # 1xjo.67.67 read from T0180.t2k.frag # found chain 1xjo in template set T0180 67 :VGRRPGGGL 1xjo 68 :IANWPGGDP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=557 # 1reqA.67.68 read from T0180.t2k.frag # found chain 1reqA in template set T0180 67 :VGRRPGGGL 1reqA 70 :FVHGPYATM Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74192 Ang R5.NH1 and L10.C other bump:2.41058 Ang R5.CZ and L10.CD2 other bump:2.17054 Ang R5.NH1 and L10.CD2 other bump:2.1639 Ang R5.CB and L10.CD2 other bump:2.53534 Ang R5.CG and L10.CD2 other bump:2.29519 Ang R5.NE and L10.CD2 other bump:1.99712 Ang R5.CD and L10.CD2 other bump:2.04441 Ang R5.CZ and L10.CD1 other bump:2.49235 Ang R4.O and L10.CD1 other bump:2.59357 Ang R5.CB and L10.CD1 other bump:1.94193 Ang R5.CG and L10.CD1 other bump:0.815212 Ang R5.NE and L10.CD1 other bump:1.40172 Ang R5.CD and L10.CD1 other bump:1.02311 Ang R5.CZ and L10.CG other bump:2.24445 Ang R5.NH2 and L10.CG other bump:2.8476 Ang R5.CB and L10.CG other bump:2.70328 Ang R5.CG and L10.CG other bump:0.96949 Ang R5.NE and L10.CG other bump:1.68612 Ang R5.CD and L10.CG other bump:1.35474 Ang R5.CZ and L10.CB other bump:1.4283 Ang R5.NH1 and L10.CB other bump:2.44102 Ang R5.NH2 and L10.CB other bump:1.71047 Ang R5.NE and L10.CB other bump:2.22337 Ang R5.CD and L10.CB other bump:2.26343 Ang R5.CZ and L10.CA other bump:1.28563 Ang R5.NH1 and L10.CA other bump:3.06883 Ang R5.NH2 and L10.CA other bump:2.30047 Ang R5.CZ and L10.N other bump:1.36291 Ang R5.NH1 and L10.N other bump:2.5971 Ang R5.NH2 and L10.N other bump:2.86669 Ang R5.CZ and G9.C other bump:2.46508 Ang R5.NH1 and G9.C other bump:2.5184 Ang R5.NH2 and G9.C other bump:3.1715 Ang R5.NH2 and G9.CA neighbor-bump: 1.97985 Ang R4.O and R5.CG neighbor-bump: 2.83492 Ang R4.C and R5.CG Number of specific fragments= 1 total=558 # 1bw3.68.68 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 68 :GRRPGGGLK 1bw3 69 :VTNPATGAQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92551 Ang R3.CZ and K10.CD other bump:2.59296 Ang R3.CD and K10.CD other bump:2.7767 Ang R3.NE and K10.CD other bump:2.75015 Ang R3.CD and K10.CG other bump:2.53609 Ang R3.CD and K10.CB Number of specific fragments= 1 total=559 # 1bw4.68.68 read from T0180.t2k.frag # found chain 1bw4 in template set T0180 68 :GRRPGGGLK 1bw4 69 :VTNPATGAQ Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.25447 Ang R3.NE and K10.NZ other bump:1.96418 Ang R3.CZ and K10.NZ other bump:2.04416 Ang R3.NH1 and K10.NZ other bump:1.44998 Ang R3.NH2 and K10.NZ other bump:2.24935 Ang R3.NE and K10.CE other bump:1.34414 Ang R3.CZ and K10.CE other bump:1.92133 Ang R3.NH1 and K10.CE other bump:1.40147 Ang R3.NH2 and K10.CE other bump:1.98078 Ang R3.CD and K10.CD other bump:1.45418 Ang R3.NE and K10.CD other bump:1.06158 Ang R3.CZ and K10.CD other bump:1.23649 Ang R3.NH1 and K10.CD other bump:2.24787 Ang R3.NH2 and K10.CD other bump:1.73275 Ang R3.CD and K10.CG other bump:1.95261 Ang R3.NE and K10.CG other bump:1.83342 Ang R3.CD and K10.CB other bump:1.95898 Ang R3.NE and K10.CB other bump:3.03421 Ang R3.CD and K10.CA other bump:2.72944 Ang R4.NH1 and L9.CD2 Number of specific fragments= 1 total=560 # 1whi.68.68 read from T0180.t2k.frag # found chain 1whi in template set T0180 68 :GRRPGGGLK 1whi 69 :VRRPDGSYI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=561 # 1qq9A.68.68 read from T0180.t2k.frag # found chain 1qq9A in template set T0180 68 :GRRPGGGLK 1qq9A 69 :ANWPGGDPN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=562 # 1xjo.68.68 read from T0180.t2k.frag # found chain 1xjo in template set T0180 68 :GRRPGGGLK 1xjo 69 :ANWPGGDPN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=563 # 1reqA.68.69 read from T0180.t2k.frag # found chain 1reqA in template set T0180 68 :GRRPGGGLK 1reqA 71 :VHGPYATMY Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74192 Ang R4.NH1 and L9.C other bump:2.1639 Ang R4.CB and L9.CD2 other bump:2.53534 Ang R4.CG and L9.CD2 other bump:1.99713 Ang R4.CD and L9.CD2 other bump:2.29519 Ang R4.NE and L9.CD2 other bump:2.41058 Ang R4.CZ and L9.CD2 other bump:2.17054 Ang R4.NH1 and L9.CD2 other bump:2.49234 Ang R3.O and L9.CD1 other bump:2.59357 Ang R4.CB and L9.CD1 other bump:1.94193 Ang R4.CG and L9.CD1 other bump:1.40171 Ang R4.CD and L9.CD1 other bump:0.815214 Ang R4.NE and L9.CD1 other bump:2.04441 Ang R4.CZ and L9.CD1 other bump:2.24446 Ang R4.NH2 and L9.CG other bump:2.84759 Ang R4.CB and L9.CG other bump:2.70327 Ang R4.CG and L9.CG other bump:1.68612 Ang R4.CD and L9.CG other bump:0.969493 Ang R4.NE and L9.CG other bump:1.02311 Ang R4.CZ and L9.CG other bump:2.44102 Ang R4.NH2 and L9.CB other bump:2.22337 Ang R4.CD and L9.CB other bump:1.71047 Ang R4.NE and L9.CB other bump:1.35474 Ang R4.CZ and L9.CB other bump:1.4283 Ang R4.NH1 and L9.CB other bump:3.06883 Ang R4.NH2 and L9.CA other bump:2.26343 Ang R4.CZ and L9.CA other bump:1.28563 Ang R4.NH1 and L9.CA other bump:2.5971 Ang R4.NH2 and L9.N other bump:2.30047 Ang R4.CZ and L9.N other bump:1.36291 Ang R4.NH1 and L9.N other bump:2.5184 Ang R4.NH2 and G8.C other bump:2.86669 Ang R4.CZ and G8.C other bump:2.46508 Ang R4.NH1 and G8.C other bump:3.1715 Ang R4.NH2 and G8.CA neighbor-bump: 2.83492 Ang R3.C and R4.CG neighbor-bump: 1.97985 Ang R3.O and R4.CG Number of specific fragments= 1 total=564 # 1bw3.69.69 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 69 :RRPGGGLKD 1bw3 70 :TNPATGAQI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92551 Ang R2.CZ and K9.CD other bump:2.59295 Ang R2.CD and K9.CD other bump:2.77669 Ang R2.NE and K9.CD other bump:2.75014 Ang R2.CD and K9.CG other bump:2.53609 Ang R2.CD and K9.CB Number of specific fragments= 1 total=565 # 1bw4.69.69 read from T0180.t2k.frag # found chain 1bw4 in template set T0180 69 :RRPGGGLKD 1bw4 70 :TNPATGAQI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.25447 Ang R2.NE and K9.NZ other bump:1.96418 Ang R2.CZ and K9.NZ other bump:2.04417 Ang R2.NH1 and K9.NZ other bump:1.44998 Ang R2.NH2 and K9.NZ other bump:2.24936 Ang R2.NE and K9.CE other bump:1.34414 Ang R2.CZ and K9.CE other bump:1.92134 Ang R2.NH1 and K9.CE other bump:1.40148 Ang R2.NH2 and K9.CE other bump:1.98078 Ang R2.CD and K9.CD other bump:1.45418 Ang R2.NE and K9.CD other bump:1.06158 Ang R2.CZ and K9.CD other bump:1.2365 Ang R2.NH1 and K9.CD other bump:2.24787 Ang R2.NH2 and K9.CD other bump:1.73275 Ang R2.CD and K9.CG other bump:1.95261 Ang R2.NE and K9.CG other bump:1.83342 Ang R2.CD and K9.CB other bump:1.95898 Ang R2.NE and K9.CB other bump:3.03421 Ang R2.CD and K9.CA other bump:2.72944 Ang R3.NH1 and L8.CD2 Number of specific fragments= 1 total=566 # 1whi.69.69 read from T0180.t2k.frag # found chain 1whi in template set T0180 69 :RRPGGGLKD 1whi 70 :RRPDGSYIR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70871 Ang R3.CZ and K9.NZ other bump:1.4732 Ang R3.NH2 and K9.NZ other bump:3.18377 Ang R3.NE and K9.CE other bump:2.66678 Ang R3.CZ and K9.CE other bump:1.9771 Ang R3.NH2 and K9.CE Number of specific fragments= 1 total=567 # 1reqA.69.70 read from T0180.t2k.frag # found chain 1reqA in template set T0180 69 :RRPGGGLKD 1reqA 72 :HGPYATMYA Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74192 Ang R3.NH1 and L8.C other bump:2.41058 Ang R3.CZ and L8.CD2 other bump:2.1639 Ang R3.CB and L8.CD2 other bump:2.53534 Ang R3.CG and L8.CD2 other bump:1.99713 Ang R3.CD and L8.CD2 other bump:2.29518 Ang R3.NE and L8.CD2 other bump:2.17053 Ang R3.NH1 and L8.CD2 other bump:2.04441 Ang R3.CZ and L8.CD1 other bump:2.49234 Ang R2.O and L8.CD1 other bump:2.59357 Ang R3.CB and L8.CD1 other bump:1.94193 Ang R3.CG and L8.CD1 other bump:1.40173 Ang R3.CD and L8.CD1 other bump:0.815213 Ang R3.NE and L8.CD1 other bump:1.02311 Ang R3.CZ and L8.CG other bump:2.24446 Ang R3.NH2 and L8.CG other bump:2.84759 Ang R3.CB and L8.CG other bump:2.70327 Ang R3.CG and L8.CG other bump:1.68613 Ang R3.CD and L8.CG other bump:0.969485 Ang R3.NE and L8.CG other bump:1.35473 Ang R3.CZ and L8.CB other bump:2.44101 Ang R3.NH2 and L8.CB other bump:2.22337 Ang R3.CD and L8.CB other bump:1.71047 Ang R3.NE and L8.CB other bump:1.4283 Ang R3.NH1 and L8.CB other bump:2.26342 Ang R3.CZ and L8.CA other bump:3.06883 Ang R3.NH2 and L8.CA other bump:1.28563 Ang R3.NH1 and L8.CA other bump:2.30047 Ang R3.CZ and L8.N other bump:2.59709 Ang R3.NH2 and L8.N other bump:1.36292 Ang R3.NH1 and L8.N other bump:2.86669 Ang R3.CZ and G7.C other bump:2.51839 Ang R3.NH2 and G7.C other bump:2.46509 Ang R3.NH1 and G7.C other bump:3.1715 Ang R3.NH2 and G7.CA neighbor-bump: 1.97985 Ang R2.O and R3.CG neighbor-bump: 2.83492 Ang R2.C and R3.CG Number of specific fragments= 1 total=568 # 1qq9A.69.69 read from T0180.t2k.frag # found chain 1qq9A in template set T0180 69 :RRPGGGLKD 1qq9A 70 :NWPGGDPNK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=569 # 1xjo.69.69 read from T0180.t2k.frag # found chain 1xjo in template set T0180 69 :RRPGGGLKD 1xjo 70 :NWPGGDPNK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=570 # 1bw3.70.70 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 70 :RPGGGLKDT 1bw3 71 :NPATGAQIT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=571 # 1bw4.70.70 read from T0180.t2k.frag # found chain 1bw4 in template set T0180 70 :RPGGGLKDT 1bw4 71 :NPATGAQIT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=572 # 1whi.70.70 read from T0180.t2k.frag # found chain 1whi in template set T0180 70 :RPGGGLKDT 1whi 71 :RPDGSYIRF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70871 Ang R2.CZ and K8.NZ other bump:1.4732 Ang R2.NH2 and K8.NZ other bump:3.18377 Ang R2.NE and K8.CE other bump:2.66678 Ang R2.CZ and K8.CE other bump:1.9771 Ang R2.NH2 and K8.CE Number of specific fragments= 1 total=573 # 1reqA.70.71 read from T0180.t2k.frag # found chain 1reqA in template set T0180 70 :RPGGGLKDT 1reqA 73 :GPYATMYAF Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74192 Ang R2.NH1 and L7.C other bump:2.29518 Ang R2.NE and L7.CD2 other bump:2.41058 Ang R2.CZ and L7.CD2 other bump:2.1639 Ang R2.CB and L7.CD2 other bump:2.53534 Ang R2.CG and L7.CD2 other bump:1.99713 Ang R2.CD and L7.CD2 other bump:2.17053 Ang R2.NH1 and L7.CD2 other bump:0.815215 Ang R2.NE and L7.CD1 other bump:2.04442 Ang R2.CZ and L7.CD1 other bump:2.49234 Ang G1.O and L7.CD1 other bump:2.59357 Ang R2.CB and L7.CD1 other bump:1.94193 Ang R2.CG and L7.CD1 other bump:1.40173 Ang R2.CD and L7.CD1 other bump:0.969487 Ang R2.NE and L7.CG other bump:1.02311 Ang R2.CZ and L7.CG other bump:2.24445 Ang R2.NH2 and L7.CG other bump:2.84759 Ang R2.CB and L7.CG other bump:2.70327 Ang R2.CG and L7.CG other bump:1.68612 Ang R2.CD and L7.CG other bump:1.71046 Ang R2.NE and L7.CB other bump:1.35473 Ang R2.CZ and L7.CB other bump:2.44101 Ang R2.NH2 and L7.CB other bump:2.22337 Ang R2.CD and L7.CB other bump:1.4283 Ang R2.NH1 and L7.CB other bump:2.26342 Ang R2.CZ and L7.CA other bump:3.06882 Ang R2.NH2 and L7.CA other bump:1.28562 Ang R2.NH1 and L7.CA other bump:2.30047 Ang R2.CZ and L7.N other bump:2.59708 Ang R2.NH2 and L7.N other bump:1.36291 Ang R2.NH1 and L7.N other bump:2.86668 Ang R2.CZ and G6.C other bump:2.51839 Ang R2.NH2 and G6.C other bump:2.46509 Ang R2.NH1 and G6.C other bump:3.1715 Ang R2.NH2 and G6.CA neighbor-bump: 2.83492 Ang G1.C and R2.CG neighbor-bump: 1.97985 Ang G1.O and R2.CG Number of specific fragments= 1 total=574 # 1qq9A.70.70 read from T0180.t2k.frag # found chain 1qq9A in template set T0180 70 :RPGGGLKDT 1qq9A 71 :WPGGDPNKV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=575 # 1xjo.70.70 read from T0180.t2k.frag # found chain 1xjo in template set T0180 70 :RPGGGLKDT 1xjo 71 :WPGGDPNKV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=576 # 1bw3.71.71 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 71 :PGGGLKDTK 1bw3 72 :PATGAQITA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=577 # 1bw4.71.71 read from T0180.t2k.frag # found chain 1bw4 in template set T0180 71 :PGGGLKDTK 1bw4 72 :PATGAQITA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=578 # 1reqA.71.72 read from T0180.t2k.frag # found chain 1reqA in template set T0180 71 :PGGGLKDTK 1reqA 74 :PYATMYAFR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=579 # 1whi.71.71 read from T0180.t2k.frag # found chain 1whi in template set T0180 71 :PGGGLKDTK 1whi 72 :PDGSYIRFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=580 # 1lba.71.76 read from T0180.t2k.frag # adding 1lba to template set 1lba:# found chain 1lba in template set T0180 71 :PGGGLKDTK 1lba 81 :LVGGIDDKG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=581 # 1fnd.71.79 read from T0180.t2k.frag # adding 1fnd to template set 1fnd:# found chain 1fnd in template set T0180 71 :PGGGLKDTK 1fnd 80 :PDGEDKNGK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.29222 Ang L6.N and K10.O Number of specific fragments= 1 total=582 # 1bw3.72.72 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 72 :GGGLKDTKP 1bw3 73 :ATGAQITAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=583 # 1reqA.72.73 read from T0180.t2k.frag # found chain 1reqA in template set T0180 72 :GGGLKDTKP 1reqA 75 :YATMYAFRP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=584 # 1bw4.72.72 read from T0180.t2k.frag # found chain 1bw4 in template set T0180 72 :GGGLKDTKP 1bw4 73 :ATGAQITAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=585 # 1whi.72.72 read from T0180.t2k.frag # found chain 1whi in template set T0180 72 :GGGLKDTKP 1whi 73 :DGSYIRFDE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56322 Ang T8.CG2 and P10.O Number of specific fragments= 1 total=586 # 1f7sA.72.76 read from T0180.t2k.frag # adding 1f7sA to template set 1f7sA:# found chain 1f7sA in template set T0180 72 :GGGLKDTKP 1f7sA 77 :AENCQKSKI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=587 # 1lba.72.77 read from T0180.t2k.frag # found chain 1lba in template set T0180 72 :GGGLKDTKP 1lba 82 :VGGIDDKGK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.19778 Ang L5.CD2 and P10.C Number of specific fragments= 1 total=588 # 1reqA.73.74 read from T0180.t2k.frag # found chain 1reqA in template set T0180 73 :GGLKDTKPV 1reqA 76 :ATMYAFRPW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45791 Ang K5.CE and V10.CG2 other bump:2.82261 Ang K5.NZ and V10.CG2 Number of specific fragments= 1 total=589 # 1bw3.73.73 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 73 :GGLKDTKPV 1bw3 74 :TGAQITARI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=590 # 1bw4.73.73 read from T0180.t2k.frag # found chain 1bw4 in template set T0180 73 :GGLKDTKPV 1bw4 74 :TGAQITARI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=591 # 1f7sA.73.77 read from T0180.t2k.frag # found chain 1f7sA in template set T0180 73 :GGLKDTKPV 1f7sA 78 :ENCQKSKIF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=592 # 1fnd.73.81 read from T0180.t2k.frag # found chain 1fnd in template set T0180 73 :GGLKDTKPV 1fnd 82 :GEDKNGKPH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.29222 Ang L4.N and K8.O Number of specific fragments= 1 total=593 # 1fnc.73.81 read from T0180.t2k.frag # found chain 1fnc in training set T0180 73 :GGLKDTKPV 1fnc 82 :GEDKNGKPH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.3215 Ang L4.N and K8.O other bump:2.75418 Ang G3.CA and K8.O Number of specific fragments= 1 total=594 # 1reqA.74.75 read from T0180.t2k.frag # found chain 1reqA in template set T0180 74 :GLKDTKPVV 1reqA 77 :TMYAFRPWT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51716 Ang K4.CE and V9.CG2 other bump:2.9344 Ang K4.NZ and V9.CG2 Number of specific fragments= 1 total=595 # 1bw3.74.74 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 74 :GLKDTKPVV 1bw3 75 :GAQITARIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=596 # 1f7sA.74.78 read from T0180.t2k.frag # found chain 1f7sA in template set T0180 74 :GLKDTKPVV 1f7sA 79 :NCQKSKIFF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=597 # 1dcfA.74.77 read from T0180.t2k.frag # found chain 1dcfA in template set T0180 76 :KDTKPVV 1dcfA 80 :RHQRPLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 1 total=598 # 1bw4.74.74 read from T0180.t2k.frag # found chain 1bw4 in template set T0180 74 :GLKDTKPVV 1bw4 75 :GAQITARIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=599 # 1gg1A.74.81 read from T0180.t2k.frag # adding 1gg1A to template set 1gg1A:# found chain 1gg1A in template set T0180 74 :GLKDTKPVV 1gg1A 82 :ELKDELEIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=600 # 1reqA.75.76 read from T0180.t2k.frag # found chain 1reqA in template set T0180 75 :LKDTKPVVV 1reqA 78 :MYAFRPWTI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51716 Ang K3.CE and V8.CG2 other bump:2.9344 Ang K3.NZ and V8.CG2 Number of specific fragments= 1 total=601 # 1dcfA.75.78 read from T0180.t2k.frag # found chain 1dcfA in template set T0180 76 :KDTKPVVV 1dcfA 80 :RHQRPLLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=602 # 1gg1A.75.82 read from T0180.t2k.frag # found chain 1gg1A in template set T0180 75 :LKDTKPVVV 1gg1A 83 :LKDELEIVM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=603 # 1f7sA.75.79 read from T0180.t2k.frag # found chain 1f7sA in template set T0180 75 :LKDTKPVVV 1f7sA 80 :CQKSKIFFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=604 # 1qr7A.75.82 read from T0180.t2k.frag # adding 1qr7A to template set 1qr7A:# found chain 1qr7A in template set T0180 75 :LKDTKPVVV 1qr7A 83 :LKDELEIVM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=605 # 1bw3.75.75 read from T0180.t2k.frag # found chain 1bw3 in template set T0180 75 :LKDTKPVVV 1bw3 76 :AQITARIVD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.31849 Ang V10.CG1 and G11.N Number of specific fragments= 1 total=606 # 1reqA.76.77 read from T0180.t2k.frag # found chain 1reqA in template set T0180 76 :KDTKPVVVR 1reqA 79 :YAFRPWTIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=607 # 1dcfA.76.79 read from T0180.t2k.frag # found chain 1dcfA in template set T0180 76 :KDTKPVVVR 1dcfA 80 :RHQRPLLVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=608 # 1f7sA.76.80 read from T0180.t2k.frag # found chain 1f7sA in template set T0180 76 :KDTKPVVVR 1f7sA 81 :QKSKIFFIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=609 # 1gg1A.76.83 read from T0180.t2k.frag # found chain 1gg1A in template set T0180 76 :KDTKPVVVR 1gg1A 84 :KDELEIVMR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=610 # 1qr7A.76.83 read from T0180.t2k.frag # found chain 1qr7A in template set T0180 76 :KDTKPVVVR 1qr7A 84 :KDELEIVMR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=611 # 1geqA.76.77 read from T0180.t2k.frag # adding 1geqA to template set 1geqA:# found chain 1geqA in template set T0180 76 :KDTKPVVVR 1geqA 78 :HSSTPIVLM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=612 # 1reqA.77.78 read from T0180.t2k.frag # found chain 1reqA in template set T0180 77 :DTKPVVVRL 1reqA 80 :AFRPWTIRQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=613 # 1dcfA.77.80 read from T0180.t2k.frag # found chain 1dcfA in template set T0180 77 :DTKPVVVRL 1dcfA 81 :HQRPLLVAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=614 # 1f7sA.77.81 read from T0180.t2k.frag # found chain 1f7sA in template set T0180 77 :DTKPVVVRL 1f7sA 82 :KSKIFFIAW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=615 # 1gg1A.77.84 read from T0180.t2k.frag # found chain 1gg1A in template set T0180 77 :DTKPVVVRL 1gg1A 85 :DELEIVMRV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43612 Ang V8.CG2 and L10.CD1 other bump:3.05919 Ang V8.CB and L10.CD1 other bump:2.72807 Ang V8.CG1 and L10.CD1 Number of specific fragments= 1 total=616 # 1qr7A.77.84 read from T0180.t2k.frag # found chain 1qr7A in template set T0180 77 :DTKPVVVRL 1qr7A 85 :DELEIVMRV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76495 Ang V8.CG2 and L10.CD1 Number of specific fragments= 1 total=617 # 1geqA.77.78 read from T0180.t2k.frag # found chain 1geqA in template set T0180 77 :DTKPVVVRL 1geqA 79 :SSTPIVLMT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=618 # 1reqA.78.79 read from T0180.t2k.frag # found chain 1reqA in template set T0180 78 :TKPVVVRLY 1reqA 81 :FRPWTIRQY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=619 # 1f7sA.78.82 read from T0180.t2k.frag # found chain 1f7sA in template set T0180 78 :TKPVVVRLY 1f7sA 83 :SKIFFIAWC Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36963 Ang R8.CG and Y10.CZ other bump:1.59376 Ang R8.CG and Y10.CE1 other bump:2.92253 Ang R8.CA and Y10.CE1 other bump:2.70129 Ang R8.CB and Y10.CE1 other bump:2.75726 Ang R8.C and Y10.CE1 other bump:2.51753 Ang R8.CG and Y10.CD1 neighbor-bump: 2.53023 Ang L9.O and Y10.CD1 neighbor-bump: 2.59117 Ang L9.C and Y10.CD1 neighbor-bump: 2.4583 Ang L9.O and Y10.CG neighbor-bump: 2.84721 Ang L9.C and Y10.CG Number of specific fragments= 1 total=620 # 1dcfA.78.81 read from T0180.t2k.frag # found chain 1dcfA in template set T0180 78 :TKPVVVRLY 1dcfA 82 :QRPLLVALS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=621 # 1gg1A.78.85 read from T0180.t2k.frag # found chain 1gg1A in template set T0180 78 :TKPVVVRLY 1gg1A 86 :ELEIVMRVY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=622 # 1qr7A.78.85 read from T0180.t2k.frag # found chain 1qr7A in template set T0180 78 :TKPVVVRLY 1qr7A 86 :ELEIVMRVY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=623 # 1geqA.78.79 read from T0180.t2k.frag # found chain 1geqA in template set T0180 78 :TKPVVVRLY 1geqA 80 :STPIVLMTY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.46115 Ang R8.O and L9.CD2 Number of specific fragments= 1 total=624 # 1reqA.79.80 read from T0180.t2k.frag # found chain 1reqA in template set T0180 79 :KPVVVRLYP 1reqA 82 :RPWTIRQYA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.25608 Ang L8.O and P10.CD other bump:2.90309 Ang L8.C and P10.CD neighbor-bump: 2.3569 Ang Y9.CA and P10.CD neighbor-bump: 1.73073 Ang Y9.C and P10.CD Number of specific fragments= 1 total=625 # 1f7sA.79.83 read from T0180.t2k.frag # found chain 1f7sA in template set T0180 79 :KPVVVRLYP 1f7sA 84 :KIFFIAWCP Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49236 Ang R7.CG and Y9.CZ other bump:1.55294 Ang R7.CG and Y9.CE1 other bump:2.52387 Ang R7.CD and Y9.CE1 other bump:2.86937 Ang R7.CB and Y9.CE1 other bump:3.16233 Ang R7.C and Y9.CE1 other bump:2.48477 Ang R7.CG and Y9.CD1 neighbor-bump: 2.80267 Ang L8.C and Y9.CD1 Number of specific fragments= 1 total=626 # 1dcfA.79.82 read from T0180.t2k.frag # found chain 1dcfA in template set T0180 79 :KPVVVRLYP 1dcfA 83 :RPLLVALSG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.99782 Ang Y9.CE2 and G11.CA other bump:2.9363 Ang Y9.CD2 and G11.CA other bump:2.63352 Ang Y9.CD2 and G11.N Number of specific fragments= 1 total=627 # 1gg1A.79.86 read from T0180.t2k.frag # found chain 1gg1A in template set T0180 79 :KPVVVRLYP 1gg1A 87 :LEIVMRVYF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.37381 Ang Y9.CA and P10.CD neighbor-bump: 1.98376 Ang Y9.C and P10.CD self-bump: 1.33785 Ang P10.N and P10.CD self-bump: 2.20542 Ang P10.N and P10.CG Number of specific fragments= 1 total=628 # 1geqA.79.80 read from T0180.t2k.frag # found chain 1geqA in template set T0180 79 :KPVVVRLYP 1geqA 81 :TPIVLMTYY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.46115 Ang R7.O and L8.CD2 Number of specific fragments= 1 total=629 # 1qr7A.79.86 read from T0180.t2k.frag # found chain 1qr7A in template set T0180 79 :KPVVVRLYP 1qr7A 87 :LEIVMRVYF Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.35442 Ang Y9.CA and P10.CD other bump:2.90449 Ang L8.C and P10.CD neighbor-bump: 2.12583 Ang Y9.C and P10.CD self-bump: 1.34554 Ang P10.N and P10.CD other bump:2.22645 Ang L8.O and P10.CD self-bump: 2.20599 Ang P10.N and P10.CG Number of specific fragments= 1 total=630 # 1reqA.80.81 read from T0180.t2k.frag # found chain 1reqA in template set T0180 80 :PVVVRLYPD 1reqA 83 :PWTIRQYAG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38431 Ang D10.CA and D10.CB other bump:2.20335 Ang L7.O and P9.CD other bump:2.75966 Ang L7.C and P9.CD neighbor-bump: 2.18204 Ang Y8.CA and P9.CD neighbor-bump: 2.39352 Ang Y8.O and P9.CD neighbor-bump: 1.53767 Ang Y8.C and P9.CD neighbor-bump: 2.51135 Ang Y8.O and P9.CG neighbor-bump: 2.36538 Ang Y8.C and P9.CG Number of specific fragments= 1 total=631 # 1f7sA.80.84 read from T0180.t2k.frag # found chain 1f7sA in template set T0180 80 :PVVVRLYPD 1f7sA 85 :IFFIAWCPD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49236 Ang R6.CG and Y8.CZ other bump:1.55294 Ang R6.CG and Y8.CE1 other bump:2.52387 Ang R6.CD and Y8.CE1 other bump:2.86937 Ang R6.CB and Y8.CE1 other bump:3.16233 Ang R6.C and Y8.CE1 other bump:2.48477 Ang R6.CG and Y8.CD1 neighbor-bump: 2.80267 Ang L7.C and Y8.CD1 Number of specific fragments= 1 total=632 # 1dcfA.80.83 read from T0180.t2k.frag # found chain 1dcfA in template set T0180 80 :PVVVRLYPD 1dcfA 84 :PLLVALSGN Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58237 Ang Y8.CE2 and G11.CA other bump:2.89889 Ang Y8.CZ and G11.CA other bump:2.53183 Ang Y8.OH and G11.CA other bump:2.39848 Ang Y8.CE2 and G11.N other bump:2.20391 Ang Y8.CD2 and D10.C other bump:1.72398 Ang Y8.CE2 and D10.C other bump:3.02801 Ang Y8.CZ and D10.C other bump:2.42471 Ang Y8.CG and D10.O other bump:1.12104 Ang Y8.CD2 and D10.O other bump:0.900197 Ang Y8.CE2 and D10.O other bump:2.22503 Ang Y8.CZ and D10.O other bump:2.9363 Ang Y8.CD2 and D10.CA other bump:2.99782 Ang Y8.CE2 and D10.CA other bump:2.63352 Ang Y8.CD2 and D10.N self-bump: 1.39476 Ang P9.N and P9.CD Number of specific fragments= 1 total=633 # 2bvwA.80.81 read from T0180.t2k.frag # adding 2bvwA to template set 2bvwA:Skipped atom 1634, because occupancy 0.5 <= existing 0.500001 Skipped atom 1636, because occupancy 0.5 <= existing 0.500001 Skipped atom 1638, because occupancy 0.5 <= existing 0.500001 Skipped atom 1640, because occupancy 0.5 <= existing 0.500001 Skipped atom 1642, because occupancy 0.5 <= existing 0.500001 Skipped atom 1644, because occupancy 0.5 <= existing 0.500001 Skipped atom 2298, because occupancy 0.4 <= existing 0.600001 Skipped atom 2300, because occupancy 0.4 <= existing 0.600001 Skipped atom 2302, because occupancy 0.4 <= existing 0.600001 Skipped atom 2304, because occupancy 0.4 <= existing 0.600001 Skipped atom 2306, because occupancy 0.4 <= existing 0.600001 Skipped atom 2308, because occupancy 0.4 <= existing 0.600001 # found chain 2bvwA in template set T0180 80 :PVVVRLYPD 2bvwA 170 :QIVVYDLPD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=634 # 1geqA.80.81 read from T0180.t2k.frag # found chain 1geqA in template set T0180 80 :PVVVRLYPD 1geqA 82 :PIVLMTYYN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38125 Ang P9.N and P9.CD neighbor-bump: 2.46115 Ang R6.O and L7.CD2 Number of specific fragments= 1 total=635 # 1gg1A.80.87 read from T0180.t2k.frag # found chain 1gg1A in template set T0180 80 :PVVVRLYPD 1gg1A 88 :EIVMRVYFE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=636 # 1reqA.81.82 read from T0180.t2k.frag # found chain 1reqA in template set T0180 81 :VVVRLYPDE 1reqA 84 :WTIRQYAGF Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20335 Ang L6.O and P8.CD other bump:2.75966 Ang L6.C and P8.CD neighbor-bump: 2.18204 Ang Y7.CA and P8.CD neighbor-bump: 2.39352 Ang Y7.O and P8.CD neighbor-bump: 1.53767 Ang Y7.C and P8.CD neighbor-bump: 2.51135 Ang Y7.O and P8.CG neighbor-bump: 2.36538 Ang Y7.C and P8.CG Number of specific fragments= 1 total=637 # 1f7sA.81.85 read from T0180.t2k.frag # found chain 1f7sA in template set T0180 81 :VVVRLYPDE 1f7sA 86 :FFIAWCPDI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49236 Ang R5.CG and Y7.CZ other bump:2.52387 Ang R5.CD and Y7.CE1 other bump:1.55294 Ang R5.CG and Y7.CE1 other bump:2.86937 Ang R5.CB and Y7.CE1 other bump:3.16233 Ang R5.C and Y7.CE1 other bump:2.48477 Ang R5.CG and Y7.CD1 neighbor-bump: 2.80267 Ang L6.C and Y7.CD1 Number of specific fragments= 1 total=638 # 1dcfA.81.84 read from T0180.t2k.frag # found chain 1dcfA in template set T0180 81 :VVVRLYPDE 1dcfA 85 :LLVALSGNT Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.12094 Ang Y7.CE2 and E10.CB other bump:2.03146 Ang Y7.OH and E10.CB other bump:2.58237 Ang Y7.CE2 and E10.CA other bump:2.89889 Ang Y7.CZ and E10.CA other bump:2.53183 Ang Y7.OH and E10.CA other bump:2.39848 Ang Y7.CE2 and E10.N other bump:2.20391 Ang Y7.CD2 and D9.C other bump:1.72398 Ang Y7.CE2 and D9.C other bump:3.02801 Ang Y7.CZ and D9.C other bump:2.42471 Ang Y7.CG and D9.O other bump:1.12104 Ang Y7.CD2 and D9.O other bump:0.900197 Ang Y7.CE2 and D9.O other bump:2.22503 Ang Y7.CZ and D9.O other bump:2.9363 Ang Y7.CD2 and D9.CA other bump:2.99782 Ang Y7.CE2 and D9.CA other bump:2.63352 Ang Y7.CD2 and D9.N self-bump: 1.39476 Ang P8.N and P8.CD Number of specific fragments= 1 total=639 # 2bvwA.81.82 read from T0180.t2k.frag # found chain 2bvwA in template set T0180 81 :VVVRLYPDE 2bvwA 171 :IVVYDLPDR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=640 # 1geqA.81.82 read from T0180.t2k.frag # found chain 1geqA in template set T0180 81 :VVVRLYPDE 1geqA 83 :IVLMTYYNP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38125 Ang P8.N and P8.CD neighbor-bump: 2.46115 Ang R5.O and L6.CD2 Number of specific fragments= 1 total=641 # 1sxl.81.86 read from T0180.t2k.frag # found chain 1sxl in template set T0180 81 :VVVRLYPDE 1sxl 87 :LSVRLAEEH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.09119 Ang D9.O and E10.CB neighbor-bump: 2.40929 Ang D9.C and E10.CB Number of specific fragments= 1 total=642 # 1reqA.82.83 read from T0180.t2k.frag # found chain 1reqA in template set T0180 82 :VVRLYPDEI 1reqA 85 :TIRQYAGFS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5706 Ang I10.CG2 and G11.N self-bump: 1.33784 Ang I10.CA and I10.CB other bump:2.20335 Ang L5.O and P7.CD other bump:2.75966 Ang L5.C and P7.CD neighbor-bump: 2.18204 Ang Y6.CA and P7.CD neighbor-bump: 2.39352 Ang Y6.O and P7.CD neighbor-bump: 1.53767 Ang Y6.C and P7.CD neighbor-bump: 2.51135 Ang Y6.O and P7.CG neighbor-bump: 2.36538 Ang Y6.C and P7.CG Number of specific fragments= 1 total=643 # 1f7sA.82.86 read from T0180.t2k.frag # found chain 1f7sA in template set T0180 82 :VVRLYPDEI 1f7sA 87 :FIAWCPDIA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.1155 Ang P7.CD and I10.CG1 other bump:2.56644 Ang P7.CG and I10.CG1 other bump:2.49236 Ang R4.CG and Y6.CZ other bump:2.86937 Ang R4.CB and Y6.CE1 other bump:1.55294 Ang R4.CG and Y6.CE1 other bump:2.52387 Ang R4.CD and Y6.CE1 other bump:3.16233 Ang R4.C and Y6.CE1 other bump:2.48477 Ang R4.CG and Y6.CD1 neighbor-bump: 2.80267 Ang L5.C and Y6.CD1 Number of specific fragments= 1 total=644 # 1dcfA.82.85 read from T0180.t2k.frag # found chain 1dcfA in template set T0180 82 :VVRLYPDEI 1dcfA 86 :LVALSGNTD Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.58282 Ang I10.CG2 and G11.N other bump:2.21473 Ang Y6.CD1 and E9.OE2 other bump:1.33421 Ang Y6.CE1 and E9.OE2 other bump:1.87376 Ang Y6.CE2 and E9.OE2 other bump:1.0283 Ang Y6.CZ and E9.OE2 other bump:1.91834 Ang Y6.OH and E9.OE2 other bump:2.72236 Ang Y6.CG and E9.OE2 other bump:2.56798 Ang Y6.CD2 and E9.OE2 other bump:2.25118 Ang Y6.CE1 and E9.OE1 other bump:2.9682 Ang Y6.CE2 and E9.OE1 other bump:1.72242 Ang Y6.CZ and E9.OE1 other bump:0.887866 Ang Y6.OH and E9.OE1 other bump:2.0168 Ang Y6.CE1 and E9.CD other bump:2.12549 Ang Y6.CE2 and E9.CD other bump:1.06536 Ang Y6.CZ and E9.CD other bump:0.73027 Ang Y6.OH and E9.CD other bump:2.57077 Ang Y6.CE2 and E9.CG other bump:1.57048 Ang Y6.OH and E9.CG other bump:3.08499 Ang Y6.CE2 and E9.CB other bump:2.12812 Ang Y6.OH and E9.CB other bump:2.58237 Ang Y6.CE2 and E9.CA other bump:2.89889 Ang Y6.CZ and E9.CA other bump:2.53183 Ang Y6.OH and E9.CA other bump:2.39848 Ang Y6.CE2 and E9.N other bump:1.72398 Ang Y6.CE2 and D8.C other bump:3.02801 Ang Y6.CZ and D8.C other bump:2.20391 Ang Y6.CD2 and D8.C other bump:0.900197 Ang Y6.CE2 and D8.O other bump:2.22503 Ang Y6.CZ and D8.O other bump:2.42471 Ang Y6.CG and D8.O other bump:1.12104 Ang Y6.CD2 and D8.O other bump:2.99782 Ang Y6.CE2 and D8.CA other bump:2.9363 Ang Y6.CD2 and D8.CA other bump:2.63352 Ang Y6.CD2 and D8.N self-bump: 1.39476 Ang P7.N and P7.CD Number of specific fragments= 1 total=645 # 1sxl.82.87 read from T0180.t2k.frag # found chain 1sxl in template set T0180 82 :VVRLYPDEI 1sxl 88 :SVRLAEEHG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.00286 Ang E9.O and I10.CD1 neighbor-bump: 1.8293 Ang E9.O and I10.CG1 neighbor-bump: 2.64712 Ang E9.C and I10.CG1 neighbor-bump: 2.0912 Ang D8.O and E9.CB neighbor-bump: 2.4093 Ang D8.C and E9.CB Number of specific fragments= 1 total=646 # 1rom.82.85 read from T0180.t2k.frag # adding 1rom to template set 1rom:# found chain 1rom in template set T0180 82 :VVRLYPDEI 1rom 86 :FVDMDPPEH Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79004 Ang Y6.N and I10.CD1 other bump:2.70691 Ang Y6.CA and I10.CD1 other bump:2.31279 Ang L5.C and I10.CD1 other bump:1.52489 Ang L5.O and I10.CD1 other bump:2.85967 Ang Y6.N and I10.CG1 other bump:2.32697 Ang L5.C and I10.CG1 other bump:2.88685 Ang L5.CB and I10.CG1 other bump:2.11233 Ang L5.O and I10.CG1 Number of specific fragments= 1 total=647 # 2bvwA.82.83 read from T0180.t2k.frag # found chain 2bvwA in template set T0180 82 :VVRLYPDEI 2bvwA 172 :VVYDLPDRD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97087 Ang R4.CZ and I10.CD1 other bump:2.3213 Ang R4.NH2 and I10.CD1 other bump:2.57318 Ang R4.NH2 and I10.CG1 neighbor-bump: 2.76272 Ang E9.CG and I10.CA neighbor-bump: 2.30219 Ang E9.CB and I10.N neighbor-bump: 1.58929 Ang E9.CG and I10.N self-bump: 2.11897 Ang E9.CB and E9.C self-bump: 2.34305 Ang E9.CG and E9.C self-bump: 1.29044 Ang E9.CA and E9.CB Number of specific fragments= 1 total=648 # 1reqA.83.84 read from T0180.t2k.frag # found chain 1reqA in template set T0180 83 :VRLYPDEIE 1reqA 86 :IRQYAGFST Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5706 Ang I9.CG2 and E10.N self-bump: 1.33785 Ang I9.CA and I9.CB other bump:2.20335 Ang L4.O and P6.CD other bump:2.75966 Ang L4.C and P6.CD neighbor-bump: 2.18204 Ang Y5.CA and P6.CD neighbor-bump: 2.39352 Ang Y5.O and P6.CD neighbor-bump: 1.53767 Ang Y5.C and P6.CD neighbor-bump: 2.51135 Ang Y5.O and P6.CG neighbor-bump: 2.36538 Ang Y5.C and P6.CG Number of specific fragments= 1 total=649 # 1f7sA.83.87 read from T0180.t2k.frag # found chain 1f7sA in template set T0180 83 :VRLYPDEIE 1f7sA 88 :IAWCPDIAK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49236 Ang R3.CG and Y5.CZ other bump:2.52387 Ang R3.CD and Y5.CE1 other bump:2.86937 Ang R3.CB and Y5.CE1 other bump:1.55294 Ang R3.CG and Y5.CE1 other bump:3.16233 Ang R3.C and Y5.CE1 other bump:2.48477 Ang R3.CG and Y5.CD1 neighbor-bump: 2.80267 Ang L4.C and Y5.CD1 Number of specific fragments= 1 total=650 # 1rom.83.86 read from T0180.t2k.frag # found chain 1rom in template set T0180 83 :VRLYPDEIE 1rom 87 :VDMDPPEHM Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79004 Ang Y5.N and I9.CD1 other bump:2.70692 Ang Y5.CA and I9.CD1 other bump:1.52488 Ang L4.O and I9.CD1 other bump:2.31279 Ang L4.C and I9.CD1 other bump:2.85967 Ang Y5.N and I9.CG1 other bump:2.88685 Ang L4.CB and I9.CG1 other bump:2.11232 Ang L4.O and I9.CG1 other bump:2.32697 Ang L4.C and I9.CG1 Number of specific fragments= 1 total=651 # 1sxl.83.88 read from T0180.t2k.frag # found chain 1sxl in template set T0180 83 :VRLYPDEI 1sxl 89 :VRLAEEHG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.00286 Ang E8.O and I9.CD1 neighbor-bump: 1.8293 Ang E8.O and I9.CG1 neighbor-bump: 2.64712 Ang E8.C and I9.CG1 neighbor-bump: 2.0912 Ang D7.O and E8.CB neighbor-bump: 2.4093 Ang D7.C and E8.CB Number of specific fragments= 1 total=652 # 1ndoB.83.84 read from T0180.t2k.frag # adding 1ndoB to template set 1ndoB:# found chain 1ndoB in template set T0180 83 :VRLYPDEIE 1ndoB 585 :MNVYNENFQ Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.23259 Ang Y5.O and P6.CD neighbor-bump: 1.64096 Ang Y5.C and P6.CD other bump:3.0078 Ang R3.CG and P6.CG other bump:2.78141 Ang R3.CD and P6.CG other bump:2.36285 Ang R3.CB and P6.CG neighbor-bump: 1.96843 Ang Y5.O and P6.CG neighbor-bump: 2.23418 Ang Y5.C and P6.CG self-bump: 1.3914 Ang P6.CA and P6.CB other bump:2.91363 Ang R3.CD and P6.CB Number of specific fragments= 1 total=653 # 1eg9B.83.84 read from T0180.t2k.frag # adding 1eg9B to template set 1eg9B:# found chain 1eg9B in template set T0180 83 :VRLYPDEIE 1eg9B 585 :MNVYNENFQ Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.71415 Ang Y5.C and P6.CD neighbor-bump: 2.26496 Ang Y5.O and P6.CD neighbor-bump: 2.25951 Ang Y5.C and P6.CG neighbor-bump: 1.99102 Ang Y5.O and P6.CG other bump:2.43974 Ang R3.CB and P6.CG other bump:2.91361 Ang R3.CD and P6.CG self-bump: 1.38043 Ang P6.CA and P6.CB other bump:3.07054 Ang R3.CD and P6.CB Number of specific fragments= 1 total=654 # 1reqA.84.85 read from T0180.t2k.frag # found chain 1reqA in template set T0180 84 :RLYPDEIEA 1reqA 87 :RQYAGFSTA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5706 Ang I8.CG2 and E9.N self-bump: 1.33785 Ang I8.CA and I8.CB other bump:2.75966 Ang L3.C and P5.CD other bump:2.20335 Ang L3.O and P5.CD neighbor-bump: 2.18204 Ang Y4.CA and P5.CD neighbor-bump: 2.39352 Ang Y4.O and P5.CD neighbor-bump: 1.53767 Ang Y4.C and P5.CD neighbor-bump: 2.51135 Ang Y4.O and P5.CG neighbor-bump: 2.36538 Ang Y4.C and P5.CG Number of specific fragments= 1 total=655 # 1rom.84.87 read from T0180.t2k.frag # found chain 1rom in template set T0180 84 :RLYPDEIEA 1rom 88 :DMDPPEHMH Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79004 Ang Y4.N and I8.CD1 other bump:2.70692 Ang Y4.CA and I8.CD1 other bump:1.52488 Ang L3.O and I8.CD1 other bump:2.31279 Ang L3.C and I8.CD1 other bump:2.85967 Ang Y4.N and I8.CG1 other bump:2.11232 Ang L3.O and I8.CG1 other bump:2.32697 Ang L3.C and I8.CG1 other bump:2.88685 Ang L3.CB and I8.CG1 Number of specific fragments= 1 total=656 # 1f7sA.84.88 read from T0180.t2k.frag # found chain 1f7sA in template set T0180 84 :RLYPDEIEA 1f7sA 89 :AWCPDIAKV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49236 Ang R2.CG and Y4.CZ other bump:1.55294 Ang R2.CG and Y4.CE1 other bump:2.52387 Ang R2.CD and Y4.CE1 other bump:2.86936 Ang R2.CB and Y4.CE1 other bump:3.16233 Ang R2.C and Y4.CE1 other bump:2.48477 Ang R2.CG and Y4.CD1 neighbor-bump: 2.80267 Ang L3.C and Y4.CD1 Number of specific fragments= 1 total=657 # 1ndoB.84.85 read from T0180.t2k.frag # found chain 1ndoB in template set T0180 84 :RLYPDEIEA 1ndoB 586 :NVYNENFQQ Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.23259 Ang Y4.O and P5.CD neighbor-bump: 1.64096 Ang Y4.C and P5.CD other bump:3.0078 Ang R2.CG and P5.CG other bump:2.78141 Ang R2.CD and P5.CG other bump:2.36286 Ang R2.CB and P5.CG neighbor-bump: 1.96843 Ang Y4.O and P5.CG neighbor-bump: 2.23418 Ang Y4.C and P5.CG self-bump: 1.3914 Ang P5.CA and P5.CB other bump:2.91363 Ang R2.CD and P5.CB Number of specific fragments= 1 total=658 # 1eg9B.84.85 read from T0180.t2k.frag # found chain 1eg9B in template set T0180 84 :RLYPDEIEA 1eg9B 586 :NVYNENFQQ Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.71415 Ang Y4.C and P5.CD neighbor-bump: 2.26496 Ang Y4.O and P5.CD neighbor-bump: 2.25951 Ang Y4.C and P5.CG neighbor-bump: 1.99102 Ang Y4.O and P5.CG other bump:2.43976 Ang R2.CB and P5.CG other bump:2.91361 Ang R2.CD and P5.CG self-bump: 1.38043 Ang P5.CA and P5.CB other bump:3.07055 Ang R2.CD and P5.CB Number of specific fragments= 1 total=659 # 1qs2A.84.85 read from T0180.t2k.frag # adding 1qs2A to template set 1qs2A:# found chain 1qs2A in template set T0180 84 :RLYPDEIEA 1qs2A 147 :NVEPTTIGF Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.80518 Ang L3.CB and E7.OE2 other bump:2.44889 Ang L3.CA and E7.OE2 other bump:2.05391 Ang Y4.O and E7.OE2 other bump:2.1069 Ang L3.C and E7.OE2 other bump:2.27652 Ang Y4.N and E7.OE2 other bump:2.71339 Ang Y4.C and E7.OE2 other bump:1.18322 Ang Y4.O and E7.OE1 other bump:2.3184 Ang Y4.N and E7.OE1 other bump:2.31066 Ang Y4.CA and E7.OE1 other bump:2.61518 Ang Y4.CB and E7.OE1 other bump:1.83753 Ang Y4.C and E7.OE1 other bump:2.72365 Ang L3.CB and E7.CD other bump:1.51348 Ang Y4.O and E7.CD other bump:2.93588 Ang L3.C and E7.CD other bump:2.49867 Ang Y4.N and E7.CD other bump:3.03046 Ang Y4.CA and E7.CD other bump:2.49906 Ang Y4.C and E7.CD Number of specific fragments= 1 total=660 # 1rom.85.88 read from T0180.t2k.frag # found chain 1rom in template set T0180 85 :LYPDEIEAL 1rom 89 :MDPPEHMHQ Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70692 Ang Y3.CA and I7.CD1 other bump:1.52488 Ang L2.O and I7.CD1 other bump:2.31279 Ang L2.C and I7.CD1 other bump:2.79004 Ang Y3.N and I7.CD1 other bump:2.11232 Ang L2.O and I7.CG1 other bump:2.32697 Ang L2.C and I7.CG1 other bump:2.85967 Ang Y3.N and I7.CG1 other bump:2.78894 Ang L2.CB and I7.CG1 Number of specific fragments= 1 total=661 # 1reqA.85.86 read from T0180.t2k.frag # found chain 1reqA in template set T0180 85 :LYPDEIEAL 1reqA 88 :QYAGFSTAK Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5706 Ang I7.CG2 and E8.N self-bump: 1.33785 Ang I7.CA and I7.CB other bump:2.75966 Ang L2.C and P4.CD other bump:2.20335 Ang L2.O and P4.CD neighbor-bump: 2.18204 Ang Y3.CA and P4.CD neighbor-bump: 2.39352 Ang Y3.O and P4.CD neighbor-bump: 1.53767 Ang Y3.C and P4.CD neighbor-bump: 2.51135 Ang Y3.O and P4.CG neighbor-bump: 2.36538 Ang Y3.C and P4.CG Number of specific fragments= 1 total=662 # 1ndoB.85.86 read from T0180.t2k.frag # found chain 1ndoB in template set T0180 85 :LYPDEIEAL 1ndoB 587 :VYNENFQQL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.23259 Ang Y3.O and P4.CD neighbor-bump: 1.64096 Ang Y3.C and P4.CD neighbor-bump: 1.96843 Ang Y3.O and P4.CG neighbor-bump: 2.23418 Ang Y3.C and P4.CG self-bump: 1.3914 Ang P4.CA and P4.CB Number of specific fragments= 1 total=663 # 1eg9B.85.86 read from T0180.t2k.frag # found chain 1eg9B in template set T0180 85 :LYPDEIEAL 1eg9B 587 :VYNENFQQL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26496 Ang Y3.O and P4.CD neighbor-bump: 1.71415 Ang Y3.C and P4.CD neighbor-bump: 1.99102 Ang Y3.O and P4.CG neighbor-bump: 2.25951 Ang Y3.C and P4.CG self-bump: 1.38043 Ang P4.CA and P4.CB Number of specific fragments= 1 total=664 # 1k6aA.85.85 read from T0180.t2k.frag # adding 1k6aA to template set 1k6aA:Skipped atom 82, because occupancy 0.5 <= existing 0.500001 Skipped atom 84, because occupancy 0.5 <= existing 0.500001 Skipped atom 86, because occupancy 0.5 <= existing 0.500001 Skipped atom 88, because occupancy 0.5 <= existing 0.500001 Skipped atom 90, because occupancy 0.5 <= existing 0.500001 Skipped atom 283, because occupancy 0.5 <= existing 0.500001 Skipped atom 285, because occupancy 0.5 <= existing 0.500001 Skipped atom 287, because occupancy 0.5 <= existing 0.500001 Skipped atom 425, 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 659, because occupancy 0.5 <= existing 0.500001 Skipped atom 661, because occupancy 0.5 <= existing 0.500001 Skipped atom 663, because occupancy 0.5 <= existing 0.500001 Skipped atom 665, because occupancy 0.5 <= existing 0.500001 Skipped atom 667, because occupancy 0.5 <= existing 0.500001 Skipped atom 836, because occupancy 0.5 <= existing 0.500001 Skipped atom 838, because occupancy 0.5 <= existing 0.500001 Skipped atom 997, because occupancy 0.5 <= existing 0.500001 Skipped atom 999, because occupancy 0.5 <= existing 0.500001 Skipped atom 1001, because occupancy 0.5 <= existing 0.500001 Skipped atom 1379, because occupancy 0.5 <= existing 0.500001 Skipped atom 1381, because occupancy 0.5 <= existing 0.500001 Skipped atom 1524, because occupancy 0.5 <= existing 0.500001 Skipped atom 1526, because occupancy 0.5 <= existing 0.500001 Skipped atom 1528, because occupancy 0.5 <= existing 0.500001 Skipped atom 1530, because occupancy 0.5 <= existing 0.500001 Skipped atom 1643, because occupancy 0.5 <= existing 0.500001 Skipped atom 1645, because occupancy 0.5 <= existing 0.500001 Skipped atom 1748, because occupancy 0.5 <= existing 0.500001 Skipped atom 1750, because occupancy 0.5 <= existing 0.500001 Skipped atom 1752, because occupancy 0.5 <= existing 0.500001 Skipped atom 1793, because occupancy 0.5 <= existing 0.500001 Skipped atom 1795, because occupancy 0.5 <= existing 0.500001 Skipped atom 1797, because occupancy 0.5 <= existing 0.500001 Skipped atom 2772, because occupancy 0.5 <= existing 0.500001 Skipped atom 2774, because occupancy 0.5 <= existing 0.500001 Skipped atom 3863, because occupancy 0.5 <= existing 0.500001 Skipped atom 3865, because occupancy 0.5 <= existing 0.500001 Skipped atom 3867, because occupancy 0.5 <= existing 0.500001 Skipped atom 3869, because occupancy 0.5 <= existing 0.500001 Skipped atom 3871, because occupancy 0.5 <= existing 0.500001 Skipped atom 3954, because occupancy 0.5 <= existing 0.500001 Skipped atom 3956, because occupancy 0.5 <= existing 0.500001 Skipped atom 3958, because occupancy 0.5 <= existing 0.500001 Skipped atom 4128, because occupancy 0.43 <= existing 0.570001 Skipped atom 4130, because occupancy 0.43 <= existing 0.570001 Skipped atom 4132, because occupancy 0.43 <= existing 0.570001 Skipped atom 4134, because occupancy 0.43 <= existing 0.570001 Skipped atom 4136, because occupancy 0.43 <= existing 0.570001 Skipped atom 4138, because occupancy 0.43 <= existing 0.570001 Skipped atom 4140, because occupancy 0.43 <= existing 0.570001 # found chain 1k6aA in template set T0180 85 :LYPDEIEAL 1k6aA 86 :VWHSQLPSW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63794 Ang E8.OE2 and L10.CD1 neighbor-bump: 2.56726 Ang D5.OD1 and E6.CG other bump:3.04867 Ang Y3.CD2 and D5.C other bump:3.0369 Ang Y3.CE2 and D5.C other bump:2.54816 Ang Y3.CD2 and D5.O other bump:2.07299 Ang Y3.OH and D5.OD2 other bump:2.02874 Ang Y3.CE2 and D5.OD2 other bump:2.8851 Ang Y3.CE2 and D5.OD1 other bump:2.5708 Ang Y3.OH and D5.CG other bump:1.73485 Ang Y3.CE2 and D5.CG other bump:2.03245 Ang Y3.CZ and D5.CB other bump:2.69624 Ang Y3.OH and D5.CB other bump:1.90537 Ang Y3.CD2 and D5.CB other bump:1.02042 Ang Y3.CE2 and D5.CB other bump:3.08987 Ang Y3.CD2 and D5.CA other bump:2.76838 Ang Y3.CE2 and D5.CA other bump:2.96538 Ang Y3.CE2 and D5.N Number of specific fragments= 1 total=665 # 1fxmA.85.85 read from T0180.t2k.frag # found chain 1fxmA in training set T0180 85 :LYPDEIEAL 1fxmA 86 :VWHSQLPSW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65824 Ang E8.OE2 and L10.CD1 neighbor-bump: 2.53985 Ang D5.OD1 and E6.CG other bump:3.04984 Ang Y3.CD2 and D5.C other bump:3.04808 Ang Y3.CE2 and D5.C other bump:2.55838 Ang Y3.CD2 and D5.O other bump:2.06525 Ang Y3.OH and D5.OD2 other bump:2.00556 Ang Y3.CE2 and D5.OD2 other bump:2.88189 Ang Y3.CE2 and D5.OD1 other bump:2.58211 Ang Y3.OH and D5.CG other bump:1.72702 Ang Y3.CE2 and D5.CG other bump:2.05408 Ang Y3.CZ and D5.CB other bump:2.71959 Ang Y3.OH and D5.CB other bump:1.90689 Ang Y3.CD2 and D5.CB other bump:1.04191 Ang Y3.CE2 and D5.CB other bump:3.10516 Ang Y3.CD2 and D5.CA other bump:2.79392 Ang Y3.CE2 and D5.CA other bump:2.99491 Ang Y3.CE2 and D5.N Number of specific fragments= 1 total=666 # 1fxmA.86.86 read from T0180.t2k.frag # found chain 1fxmA in training set T0180 86 :YPDEIEALK 1fxmA 87 :WHSQLPSWV Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65824 Ang E7.OE2 and L9.CD1 neighbor-bump: 2.53985 Ang D4.OD1 and E5.CG other bump:3.04985 Ang Y2.CD2 and D4.C other bump:3.04808 Ang Y2.CE2 and D4.C other bump:2.55839 Ang Y2.CD2 and D4.O other bump:2.06525 Ang Y2.OH and D4.OD2 other bump:2.00556 Ang Y2.CE2 and D4.OD2 other bump:2.88189 Ang Y2.CE2 and D4.OD1 other bump:2.58211 Ang Y2.OH and D4.CG other bump:1.72702 Ang Y2.CE2 and D4.CG other bump:2.05408 Ang Y2.CZ and D4.CB other bump:2.7196 Ang Y2.OH and D4.CB other bump:1.9069 Ang Y2.CD2 and D4.CB other bump:1.04192 Ang Y2.CE2 and D4.CB other bump:3.10517 Ang Y2.CD2 and D4.CA other bump:2.79392 Ang Y2.CE2 and D4.CA other bump:2.99491 Ang Y2.CE2 and D4.N Number of specific fragments= 1 total=667 # 1k6aA.86.86 read from T0180.t2k.frag # found chain 1k6aA in template set T0180 86 :YPDEIEALK 1k6aA 87 :WHSQLPSWV Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63794 Ang E7.OE2 and L9.CD1 neighbor-bump: 2.56726 Ang D4.OD1 and E5.CG other bump:3.04867 Ang Y2.CD2 and D4.C other bump:3.03689 Ang Y2.CE2 and D4.C other bump:2.54815 Ang Y2.CD2 and D4.O other bump:2.07297 Ang Y2.OH and D4.OD2 other bump:2.02874 Ang Y2.CE2 and D4.OD2 other bump:2.88509 Ang Y2.CE2 and D4.OD1 other bump:2.57079 Ang Y2.OH and D4.CG other bump:1.73485 Ang Y2.CE2 and D4.CG other bump:2.03244 Ang Y2.CZ and D4.CB other bump:2.69623 Ang Y2.OH and D4.CB other bump:1.90537 Ang Y2.CD2 and D4.CB other bump:1.02042 Ang Y2.CE2 and D4.CB other bump:3.08987 Ang Y2.CD2 and D4.CA other bump:2.76838 Ang Y2.CE2 and D4.CA other bump:2.96538 Ang Y2.CE2 and D4.N Number of specific fragments= 1 total=668 # 1ndoB.86.87 read from T0180.t2k.frag # found chain 1ndoB in template set T0180 86 :YPDEIEALK 1ndoB 588 :YNENFQQLK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.23259 Ang Y2.O and P3.CD neighbor-bump: 1.64096 Ang Y2.C and P3.CD neighbor-bump: 1.96843 Ang Y2.O and P3.CG neighbor-bump: 2.23418 Ang Y2.C and P3.CG self-bump: 1.3914 Ang P3.CA and P3.CB Number of specific fragments= 1 total=669 # 1eg9B.86.87 read from T0180.t2k.frag # found chain 1eg9B in template set T0180 86 :YPDEIEALK 1eg9B 588 :YNENFQQLK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26496 Ang Y2.O and P3.CD neighbor-bump: 1.71415 Ang Y2.C and P3.CD neighbor-bump: 1.99102 Ang Y2.O and P3.CG neighbor-bump: 2.25951 Ang Y2.C and P3.CG self-bump: 1.38043 Ang P3.CA and P3.CB Number of specific fragments= 1 total=670 # 1qs2A.86.87 read from T0180.t2k.frag # found chain 1qs2A in template set T0180 86 :YPDEIEALK 1qs2A 149 :EPTTIGFNK Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.1069 Ang G1.C and E5.OE2 other bump:2.27652 Ang Y2.N and E5.OE2 other bump:2.05391 Ang Y2.O and E5.OE2 other bump:2.71339 Ang Y2.C and E5.OE2 other bump:2.3184 Ang Y2.N and E5.OE1 other bump:2.31066 Ang Y2.CA and E5.OE1 other bump:1.18322 Ang Y2.O and E5.OE1 other bump:1.83753 Ang Y2.C and E5.OE1 other bump:2.61519 Ang Y2.CB and E5.OE1 other bump:2.93588 Ang G1.C and E5.CD other bump:2.49867 Ang Y2.N and E5.CD other bump:3.03046 Ang Y2.CA and E5.CD other bump:1.51348 Ang Y2.O and E5.CD other bump:2.49906 Ang Y2.C and E5.CD Number of specific fragments= 1 total=671 # 1rom.86.89 read from T0180.t2k.frag # found chain 1rom in template set T0180 86 :YPDEIEALK 1rom 90 :DPPEHMHQR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70692 Ang Y2.CA and I6.CD1 other bump:1.52488 Ang G1.O and I6.CD1 other bump:2.31279 Ang G1.C and I6.CD1 other bump:2.79004 Ang Y2.N and I6.CD1 other bump:2.11232 Ang G1.O and I6.CG1 other bump:2.32697 Ang G1.C and I6.CG1 other bump:2.85967 Ang Y2.N and I6.CG1 Number of specific fragments= 1 total=672 # 1k6aA.87.87 read from T0180.t2k.frag # found chain 1k6aA in template set T0180 87 :PDEIEALKS 1k6aA 88 :HSQLPSWVS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.04335 Ang I5.CD1 and K9.CD other bump:2.63794 Ang E6.OE2 and L8.CD1 neighbor-bump: 2.56725 Ang D3.OD1 and E4.CG Number of specific fragments= 1 total=673 # 1fxmA.87.87 read from T0180.t2k.frag # found chain 1fxmA in training set T0180 87 :PDEIEALKS 1fxmA 88 :HSQLPSWVS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08693 Ang I5.CD1 and K9.CD other bump:2.65824 Ang E6.OE2 and L8.CD1 neighbor-bump: 2.53985 Ang D3.OD1 and E4.CG Number of specific fragments= 1 total=674 # 1ndoB.87.88 read from T0180.t2k.frag # found chain 1ndoB in template set T0180 87 :PDEIEALKS 1ndoB 589 :NENFQQLKV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.23259 Ang G1.O and P2.CD neighbor-bump: 1.64096 Ang G1.C and P2.CD neighbor-bump: 1.96843 Ang G1.O and P2.CG neighbor-bump: 2.23418 Ang G1.C and P2.CG self-bump: 1.39139 Ang P2.CA and P2.CB Number of specific fragments= 1 total=675 # 1eg9B.87.88 read from T0180.t2k.frag # found chain 1eg9B in template set T0180 87 :PDEIEALKS 1eg9B 589 :NENFQQLKV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26497 Ang G1.O and P2.CD neighbor-bump: 1.71416 Ang G1.C and P2.CD neighbor-bump: 1.99102 Ang G1.O and P2.CG neighbor-bump: 2.25951 Ang G1.C and P2.CG self-bump: 1.38043 Ang P2.CA and P2.CB Number of specific fragments= 1 total=676 # 1qs2A.87.88 read from T0180.t2k.frag # found chain 1qs2A in template set T0180 87 :PDEIEALKS 1qs2A 150 :PTTIGFNKS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.05391 Ang G1.O and E4.OE2 other bump:2.71339 Ang G1.C and E4.OE2 other bump:1.18322 Ang G1.O and E4.OE1 other bump:1.83753 Ang G1.C and E4.OE1 other bump:1.51348 Ang G1.O and E4.CD other bump:2.49906 Ang G1.C and E4.CD Number of specific fragments= 1 total=677 # 1taxA.87.87 read from T0180.t2k.frag # adding 1taxA to template set 1taxA:Skipped atom 149, because occupancy 0.5 <= existing 0.500001 Skipped atom 151, because occupancy 0.5 <= existing 0.500001 Skipped atom 153, because occupancy 0.5 <= existing 0.500001 Skipped atom 433, because occupancy 0.5 <= existing 0.500001 Skipped atom 435, 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 532, because occupancy 0.5 <= existing 0.500001 Skipped atom 728, because occupancy 0.5 <= existing 0.500001 Skipped atom 730, because occupancy 0.5 <= existing 0.500001 Skipped atom 920, because occupancy 0.5 <= existing 0.500001 Skipped atom 922, because occupancy 0.5 <= existing 0.500001 Skipped atom 924, because occupancy 0.5 <= existing 0.500001 Skipped atom 1739, because occupancy 0.5 <= existing 0.500001 Skipped atom 1741, because occupancy 0.5 <= existing 0.500001 Skipped atom 1743, because occupancy 0.5 <= existing 0.500001 Skipped atom 1820, because occupancy 0.5 <= existing 0.500001 Skipped atom 1822, because occupancy 0.5 <= existing 0.500001 Skipped atom 1824, because occupancy 0.5 <= existing 0.500001 Skipped atom 1826, because occupancy 0.5 <= existing 0.500001 Skipped atom 2040, because occupancy 0.5 <= existing 0.500001 Skipped atom 2042, because occupancy 0.5 <= existing 0.500001 Skipped atom 2044, because occupancy 0.5 <= existing 0.500001 # found chain 1taxA in template set T0180 87 :PDEIEALKS 1taxA 88 :HSQLPSWVT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06895 Ang I5.CD1 and K9.CD other bump:2.62509 Ang E6.OE2 and L8.CD1 neighbor-bump: 2.5768 Ang D3.OD1 and E4.CG Number of specific fragments= 1 total=678 # 1fxmA.88.88 read from T0180.t2k.frag # found chain 1fxmA in training set T0180 88 :DEIEALKSR 1fxmA 89 :SQLPSWVSS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08693 Ang I4.CD1 and K8.CD other bump:2.65824 Ang E5.OE2 and L7.CD1 neighbor-bump: 2.53985 Ang D2.OD1 and E3.CG Number of specific fragments= 1 total=679 # 1k6aA.88.88 read from T0180.t2k.frag # found chain 1k6aA in template set T0180 88 :DEIEALKSR 1k6aA 89 :SQLPSWVSS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.04336 Ang I4.CD1 and K8.CD other bump:2.63794 Ang E5.OE2 and L7.CD1 neighbor-bump: 2.56726 Ang D2.OD1 and E3.CG Number of specific fragments= 1 total=680 # 1ndoB.88.89 read from T0180.t2k.frag # found chain 1ndoB in template set T0180 88 :DEIEALKSR 1ndoB 590 :ENFQQLKVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=681 # 1eg9B.88.89 read from T0180.t2k.frag # found chain 1eg9B in template set T0180 88 :DEIEALKSR 1eg9B 590 :ENFQQLKVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=682 # 1qs2A.88.89 read from T0180.t2k.frag # found chain 1qs2A in template set T0180 88 :DEIEALKSR 1qs2A 151 :TTIGFNKSL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=683 # 1taxA.88.88 read from T0180.t2k.frag # found chain 1taxA in template set T0180 88 :DEIEALKSR 1taxA 89 :SQLPSWVTS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06895 Ang I4.CD1 and K8.CD other bump:2.62509 Ang E5.OE2 and L7.CD1 neighbor-bump: 2.5768 Ang D2.OD1 and E3.CG Number of specific fragments= 1 total=684 # 1fxmA.89.89 read from T0180.t2k.frag # found chain 1fxmA in training set T0180 89 :EIEALKSRV 1fxmA 90 :QLPSWVSSI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08693 Ang I3.CD1 and K7.CD other bump:2.65824 Ang E4.OE2 and L6.CD1 Number of specific fragments= 1 total=685 # 1k6aA.89.89 read from T0180.t2k.frag # found chain 1k6aA in template set T0180 89 :EIEALKSRV 1k6aA 90 :QLPSWVSSI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.04335 Ang I3.CD1 and K7.CD other bump:2.63794 Ang E4.OE2 and L6.CD1 Number of specific fragments= 1 total=686 # 1ndoB.89.90 read from T0180.t2k.frag # found chain 1ndoB in template set T0180 89 :EIEALKSRV 1ndoB 591 :NFQQLKVRV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=687 # 1eg9B.89.90 read from T0180.t2k.frag # found chain 1eg9B in template set T0180 89 :EIEALKSRV 1eg9B 591 :NFQQLKVRV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=688 # 1qs2A.89.90 read from T0180.t2k.frag # found chain 1qs2A in template set T0180 89 :EIEALKSRV 1qs2A 152 :TIGFNKSLT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=689 # 1taxA.89.89 read from T0180.t2k.frag # found chain 1taxA in template set T0180 89 :EIEALKSRV 1taxA 90 :QLPSWVTSI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06895 Ang I3.CD1 and K7.CD other bump:2.62509 Ang E4.OE2 and L6.CD1 Number of specific fragments= 1 total=690 # 1k6aA.90.90 read from T0180.t2k.frag # found chain 1k6aA in template set T0180 90 :IEALKSRVP 1k6aA 91 :LPSWVSSIT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.04335 Ang I2.CD1 and K6.CD other bump:2.63794 Ang E3.OE2 and L5.CD1 Number of specific fragments= 1 total=691 # 1fxmA.90.90 read from T0180.t2k.frag # found chain 1fxmA in training set T0180 90 :IEALKSRVP 1fxmA 91 :LPSWVSSIT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08693 Ang I2.CD1 and K6.CD other bump:2.65824 Ang E3.OE2 and L5.CD1 Number of specific fragments= 1 total=692 # 1ndoB.90.91 read from T0180.t2k.frag # found chain 1ndoB in template set T0180 90 :IEALKSRVP 1ndoB 592 :FQQLKVRVE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=693 # 1eg9B.90.91 read from T0180.t2k.frag # found chain 1eg9B in template set T0180 90 :IEALKSRVP 1eg9B 592 :FQQLKVRVE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=694 # 1qs2A.90.91 read from T0180.t2k.frag # found chain 1qs2A in template set T0180 90 :IEALKSRVP 1qs2A 153 :IGFNKSLTE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=695 # 1taxA.90.90 read from T0180.t2k.frag # found chain 1taxA in template set T0180 90 :IEALKSRVP 1taxA 91 :LPSWVTSIT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49844 Ang R8.O and P10.CD other bump:3.06895 Ang I2.CD1 and K6.CD other bump:2.62509 Ang E3.OE2 and L5.CD1 Number of specific fragments= 1 total=696 # 1fxmA.91.91 read from T0180.t2k.frag # found chain 1fxmA in training set T0180 91 :EALKSRVPA 1fxmA 92 :PSWVSSITD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=697 # 1k6aA.91.91 read from T0180.t2k.frag # found chain 1k6aA in template set T0180 91 :EALKSRVPA 1k6aA 92 :PSWVSSITD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=698 # 1taxA.91.91 read from T0180.t2k.frag # found chain 1taxA in template set T0180 91 :EALKSRVPA 1taxA 92 :PSWVTSITD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49844 Ang R7.O and P9.CD Number of specific fragments= 1 total=699 # 1bg4.91.92 read from T0180.t2k.frag # adding 1bg4 to template set 1bg4:Bad short name: OE for alphabet: pdb_atoms Skipped atom 706, because occupancy 0.5 <= existing 0.500001 Skipped atom 1233, because occupancy 0.35 <= existing 0.650001 Skipped atom 1235, because occupancy 0.35 <= existing 0.650001 Skipped atom 1237, because occupancy 0.35 <= existing 0.650001 Skipped atom 1239, because occupancy 0.35 <= existing 0.650001 Skipped atom 1241, because occupancy 0.35 <= existing 0.650001 Skipped atom 1243, because occupancy 0.35 <= existing 0.650001 Skipped atom 1306, because occupancy 0.5 <= existing 0.500001 # found chain 1bg4 in template set T0180 91 :EALKSRVPA 1bg4 93 :PGWVSSITD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=700 # 1ndoB.91.92 read from T0180.t2k.frag # found chain 1ndoB in template set T0180 91 :EALKSRVPA 1ndoB 593 :QQLKVRVEH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=701 # 1eg9B.91.92 read from T0180.t2k.frag # found chain 1eg9B in template set T0180 91 :EALKSRVPA 1eg9B 593 :QQLKVRVEH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=702 # 1k6aA.92.92 read from T0180.t2k.frag # found chain 1k6aA in template set T0180 92 :ALKSRVPAN 1k6aA 93 :SWVSSITDK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3901 Ang N10.CA and N10.CB Number of specific fragments= 1 total=703 # 1fxmA.92.92 read from T0180.t2k.frag # found chain 1fxmA in training set T0180 92 :ALKSRVPAN 1fxmA 93 :SWVSSITDK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38745 Ang N10.CA and N10.CB Number of specific fragments= 1 total=704 # 1bg4.92.93 read from T0180.t2k.frag # found chain 1bg4 in template set T0180 92 :ALKSRVPAN 1bg4 94 :GWVSSITDK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37129 Ang N10.CA and N10.CB Number of specific fragments= 1 total=705 # 1taxA.92.92 read from T0180.t2k.frag # found chain 1taxA in template set T0180 92 :ALKSRVPAN 1taxA 93 :SWVTSITDK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38265 Ang N10.CA and N10.CB other bump:2.49844 Ang R6.O and P8.CD Number of specific fragments= 1 total=706 # 1qs2A.92.93 read from T0180.t2k.frag # found chain 1qs2A in template set T0180 92 :ALKSRVPAN 1qs2A 155 :FNKSLTEGN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62203 Ang V7.CG1 and A9.O self-bump: 1.24706 Ang A9.CA and A9.CB Number of specific fragments= 1 total=707 # 1iarB.92.94 read from T0180.t2k.frag # adding 1iarB to template set 1iarB:# found chain 1iarB in template set T0180 92 :ALKSRVPAN 1iarB 95 :HVKPRAPGN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.40014 Ang A9.CB and N10.N self-bump: 2.16681 Ang A9.CB and A9.C self-bump: 1.24601 Ang A9.CA and A9.CB Number of specific fragments= 1 total=708 # 1k6aA.93.93 read from T0180.t2k.frag # found chain 1k6aA in template set T0180 93 :LKSRVPANT 1k6aA 94 :WVSSITDKN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3901 Ang N9.CA and N9.CB Number of specific fragments= 1 total=709 # 1fxmA.93.93 read from T0180.t2k.frag # found chain 1fxmA in training set T0180 93 :LKSRVPANT 1fxmA 94 :WVSSITDKN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38745 Ang N9.CA and N9.CB Number of specific fragments= 1 total=710 # 1qs2A.93.94 read from T0180.t2k.frag # found chain 1qs2A in template set T0180 93 :LKSRVPANT 1qs2A 156 :NKSLTEGNT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62203 Ang V6.CG1 and A8.O self-bump: 1.24706 Ang A8.CA and A8.CB Number of specific fragments= 1 total=711 # 1iarB.93.95 read from T0180.t2k.frag # found chain 1iarB in template set T0180 93 :LKSRVPANT 1iarB 96 :VKPRAPGNL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.40014 Ang A8.CB and N9.N self-bump: 2.16681 Ang A8.CB and A8.C self-bump: 1.24601 Ang A8.CA and A8.CB Number of specific fragments= 1 total=712 # 1bg4.93.94 read from T0180.t2k.frag # found chain 1bg4 in template set T0180 93 :LKSRVPANT 1bg4 95 :WVSSITDKN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37129 Ang N9.CA and N9.CB Number of specific fragments= 1 total=713 # 1taxA.93.93 read from T0180.t2k.frag # found chain 1taxA in template set T0180 93 :LKSRVPANT 1taxA 94 :WVTSITDKN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38265 Ang N9.CA and N9.CB other bump:2.49844 Ang R5.O and P7.CD Number of specific fragments= 1 total=714 # 1fxmA.94.94 read from T0180.t2k.frag # found chain 1fxmA in training set T0180 94 :KSRVPANTS 1fxmA 95 :VSSITDKNT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38745 Ang N8.CA and N8.CB Number of specific fragments= 1 total=715 # 1k6aA.94.94 read from T0180.t2k.frag # found chain 1k6aA in template set T0180 94 :KSRVPANTS 1k6aA 95 :VSSITDKNT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3901 Ang N8.CA and N8.CB Number of specific fragments= 1 total=716 # 1a8l.94.94 read from T0180.t2k.frag # adding 1a8l to template set 1a8l:# found chain 1a8l in template set T0180 94 :KSRVPANTS 1a8l 95 :YFGLPAGHE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.25133 Ang A7.O and S10.OG other bump:2.73102 Ang P6.C and S10.OG neighbor-bump: 1.77514 Ang S3.O and R4.CG neighbor-bump: 2.67711 Ang S3.C and R4.CG neighbor-bump: 2.08957 Ang S3.O and R4.CB neighbor-bump: 2.52132 Ang S3.C and R4.CB Number of specific fragments= 1 total=717 # 1qs2A.94.95 read from T0180.t2k.frag # found chain 1qs2A in template set T0180 94 :KSRVPANTS 1qs2A 157 :KSLTEGNTI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62203 Ang V5.CG1 and A7.O self-bump: 1.24706 Ang A7.CA and A7.CB Number of specific fragments= 1 total=718 # 1dro.94.97 read from T0180.t2k.frag # adding 1dro to template set 1dro:# found chain 1dro in template set T0180 94 :KSRVPANTS 1dro 98 :LLQAHDDTE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76849 Ang V5.CG1 and G11.CA other bump:3.12928 Ang V5.CB and G11.CA other bump:2.70195 Ang V5.CG2 and G11.CA neighbor-bump: 2.2055 Ang A7.O and N8.CG self-bump: 1.37574 Ang P6.CA and P6.CB Number of specific fragments= 1 total=719 # 1iarB.94.96 read from T0180.t2k.frag # found chain 1iarB in template set T0180 94 :KSRVPANTS 1iarB 97 :KPRAPGNLT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.40014 Ang A7.CB and N8.N self-bump: 2.16681 Ang A7.CB and A7.C self-bump: 1.24601 Ang A7.CA and A7.CB Number of specific fragments= 1 total=720 # 1dro.95.98 read from T0180.t2k.frag # found chain 1dro in template set T0180 95 :SRVPANTSM 1dro 99 :LQAHDDTEM Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97288 Ang V4.CG2 and M10.CG other bump:3.05643 Ang V4.CB and M10.CB other bump:1.90544 Ang V4.CG2 and M10.CB other bump:2.76849 Ang V4.CG1 and M10.CA other bump:3.12928 Ang V4.CB and M10.CA other bump:2.70194 Ang V4.CG2 and M10.CA neighbor-bump: 2.2055 Ang A6.O and N7.CG self-bump: 1.37574 Ang P5.CA and P5.CB Number of specific fragments= 1 total=721 # 1a8l.95.95 read from T0180.t2k.frag # found chain 1a8l in template set T0180 95 :SRVPANTSM 1a8l 96 :FGLPAGHEF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.77513 Ang S2.O and R3.CG neighbor-bump: 2.6771 Ang S2.C and R3.CG neighbor-bump: 2.08957 Ang S2.O and R3.CB neighbor-bump: 2.52132 Ang S2.C and R3.CB Number of specific fragments= 1 total=722 # 1k6aA.95.95 read from T0180.t2k.frag # found chain 1k6aA in template set T0180 95 :SRVPANTSM 1k6aA 96 :SSITDKNTL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3901 Ang N7.CA and N7.CB Number of specific fragments= 1 total=723 # 1fxmA.95.95 read from T0180.t2k.frag # found chain 1fxmA in training set T0180 95 :SRVPANTSM 1fxmA 96 :SSITDKNTL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38745 Ang N7.CA and N7.CB Number of specific fragments= 1 total=724 # 1qs2A.95.96 read from T0180.t2k.frag # found chain 1qs2A in template set T0180 95 :SRVPANTSM 1qs2A 158 :SLTEGNTIN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74155 Ang S2.C and M10.CE other bump:1.70286 Ang S2.O and M10.CE other bump:2.62203 Ang V4.CG1 and A6.O self-bump: 1.24706 Ang A6.CA and A6.CB Number of specific fragments= 1 total=725 # 1iarB.95.97 read from T0180.t2k.frag # found chain 1iarB in template set T0180 95 :SRVPANTSM 1iarB 98 :PRAPGNLTV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.40014 Ang A6.CB and N7.N self-bump: 2.16681 Ang A6.CB and A6.C self-bump: 1.24601 Ang A6.CA and A6.CB Number of specific fragments= 1 total=726 # 1dro.96.99 read from T0180.t2k.frag # found chain 1dro in template set T0180 96 :RVPANTSMS 1dro 100 :QAHDDTEMS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97289 Ang V3.CG2 and M9.CG other bump:3.05643 Ang V3.CB and M9.CB other bump:1.90544 Ang V3.CG2 and M9.CB other bump:3.12928 Ang V3.CB and M9.CA other bump:2.76849 Ang V3.CG1 and M9.CA other bump:2.70195 Ang V3.CG2 and M9.CA neighbor-bump: 2.2055 Ang A5.O and N6.CG self-bump: 1.37574 Ang P4.CA and P4.CB Number of specific fragments= 1 total=727 # 1a8l.96.96 read from T0180.t2k.frag # found chain 1a8l in template set T0180 96 :RVPANTSMS 1a8l 97 :GLPAGHEFA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.93508 Ang G1.O and R2.CG neighbor-bump: 2.57848 Ang G1.C and R2.CG neighbor-bump: 2.10195 Ang G1.O and R2.CB neighbor-bump: 2.55043 Ang G1.C and R2.CB Number of specific fragments= 1 total=728 # 1qs2A.96.97 read from T0180.t2k.frag # found chain 1qs2A in template set T0180 96 :RVPANTSMS 1qs2A 159 :LTEGNTINS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57779 Ang P4.CD and M9.CE other bump:3.15481 Ang P4.CD and M9.SD other bump:2.62203 Ang V3.CG1 and A5.O self-bump: 1.24706 Ang A5.CA and A5.CB Number of specific fragments= 1 total=729 # 1k6aA.96.96 read from T0180.t2k.frag # found chain 1k6aA in template set T0180 96 :RVPANTSMS 1k6aA 97 :SITDKNTLT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3901 Ang N6.CA and N6.CB Number of specific fragments= 1 total=730 # 1fxmA.96.96 read from T0180.t2k.frag # found chain 1fxmA in training set T0180 96 :RVPANTSMS 1fxmA 97 :SITDKNTLT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38745 Ang N6.CA and N6.CB Number of specific fragments= 1 total=731 # 1qqyA.96.98 read from T0180.t2k.frag # adding 1qqyA to template set 1qqyA:# found chain 1qqyA in template set T0180 96 :RVPANTSMS 1qqyA 98 :VVKDPNGMS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62875 Ang R2.NH2 and G11.CA other bump:3.18714 Ang R2.CZ and G11.CA self-bump: 2.18817 Ang S8.CB and S8.C self-bump: 1.23515 Ang S8.CA and S8.CB Number of specific fragments= 1 total=732 # 1dro.97.100 read from T0180.t2k.frag # found chain 1dro in template set T0180 97 :VPANTSMSA 1dro 101 :AHDDTEMSQ Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88529 Ang V2.CG2 and M8.CG other bump:2.92757 Ang V2.CB and M8.CB other bump:1.91514 Ang V2.CG2 and M8.CB other bump:3.10387 Ang V2.CB and M8.CA other bump:2.66949 Ang V2.CG1 and M8.CA other bump:2.82583 Ang V2.CG2 and M8.CA neighbor-bump: 2.2055 Ang A4.O and N5.CG self-bump: 1.37574 Ang P3.CA and P3.CB Number of specific fragments= 1 total=733 # 1a8l.97.97 read from T0180.t2k.frag # found chain 1a8l in template set T0180 97 :VPANTSMSA 1a8l 98 :LPAGHEFAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=734 # 1qs2A.97.98 read from T0180.t2k.frag # found chain 1qs2A in template set T0180 97 :VPANTSMSA 1qs2A 160 :TEGNTINSD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57779 Ang P3.CD and M8.CE other bump:3.15481 Ang P3.CD and M8.SD other bump:2.62203 Ang V2.CG1 and A4.O self-bump: 1.24706 Ang A4.CA and A4.CB Number of specific fragments= 1 total=735 # 1qqyA.97.99 read from T0180.t2k.frag # found chain 1qqyA in template set T0180 97 :VPANTSMSA 1qqyA 99 :VKDPNGMSA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.18817 Ang S7.CB and S7.C self-bump: 1.23515 Ang S7.CA and S7.CB Number of specific fragments= 1 total=736 # 1fxmA.97.97 read from T0180.t2k.frag # found chain 1fxmA in training set T0180 97 :VPANTSMSA 1fxmA 98 :ITDKNTLTN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38745 Ang N5.CA and N5.CB Number of specific fragments= 1 total=737 # 1k6aA.97.97 read from T0180.t2k.frag # found chain 1k6aA in template set T0180 97 :VPANTSMSA 1k6aA 98 :ITDKNTLTN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3901 Ang N5.CA and N5.CB Number of specific fragments= 1 total=738 # 1dro.98.101 read from T0180.t2k.frag # found chain 1dro in template set T0180 98 :PANTSMSAY 1dro 102 :HDDTEMSQW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35304 Ang S6.O and Y10.CD1 neighbor-bump: 2.2055 Ang A3.O and N4.CG Number of specific fragments= 1 total=739 # 1a8l.98.98 read from T0180.t2k.frag # found chain 1a8l in template set T0180 98 :PANTSMSAY 1a8l 99 :PAGHEFAAF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=740 # 1qqyA.98.100 read from T0180.t2k.frag # found chain 1qqyA in template set T0180 98 :PANTSMSAY 1qqyA 100 :KDPNGMSAW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.18817 Ang S6.CB and S6.C self-bump: 1.23515 Ang S6.CA and S6.CB Number of specific fragments= 1 total=741 # 1qs2A.98.99 read from T0180.t2k.frag # found chain 1qs2A in template set T0180 98 :PANTSMSAY 1qs2A 161 :EGNTINSDA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57779 Ang P2.CD and M7.CE other bump:3.15481 Ang P2.CD and M7.SD self-bump: 1.24706 Ang A3.CA and A3.CB Number of specific fragments= 1 total=742 # 1fxmA.98.98 read from T0180.t2k.frag # found chain 1fxmA in training set T0180 98 :PANTSMSAY 1fxmA 99 :TDKNTLTNV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38745 Ang N4.CA and N4.CB Number of specific fragments= 1 total=743 # 1k6aA.98.98 read from T0180.t2k.frag # found chain 1k6aA in template set T0180 98 :PANTSMSAY 1k6aA 99 :TDKNTLTNV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3901 Ang N4.CA and N4.CB Number of specific fragments= 1 total=744 # 1dro.99.102 read from T0180.t2k.frag # found chain 1dro in template set T0180 99 :ANTSMSAYI 1dro 103 :DDTEMSQWV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35304 Ang S5.O and Y9.CD1 neighbor-bump: 2.2055 Ang A2.O and N3.CG Number of specific fragments= 1 total=745 # 1a8l.99.99 read from T0180.t2k.frag # found chain 1a8l in template set T0180 99 :ANTSMSAYI 1a8l 100 :AGHEFAAFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=746 # 1qqyA.99.101 read from T0180.t2k.frag # found chain 1qqyA in template set T0180 99 :ANTSMSAYI 1qqyA 101 :DPNGMSAWV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.18817 Ang S5.CB and S5.C self-bump: 1.23515 Ang S5.CA and S5.CB Number of specific fragments= 1 total=747 # 1qs2A.99.100 read from T0180.t2k.frag # found chain 1qs2A in template set T0180 99 :ANTSMSAYI 1qs2A 162 :GNTINSDAM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.24706 Ang A2.CA and A2.CB Number of specific fragments= 1 total=748 # 1asu.99.100 read from T0180.t2k.frag # adding 1asu to template set 1asu:# found chain 1asu in template set T0180 99 :ANTSMSAYI 1asu 148 :GNSQGQAMV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.46981 Ang M6.CB and S7.N self-bump: 1.37036 Ang M6.CA and M6.CB Number of specific fragments= 1 total=749 # 1k6aA.99.99 read from T0180.t2k.frag # found chain 1k6aA in template set T0180 99 :ANTSMSAYI 1k6aA 100 :DKNTLTNVM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3901 Ang N3.CA and N3.CB Number of specific fragments= 1 total=750 # 1dro.100.103 read from T0180.t2k.frag # found chain 1dro in template set T0180 100 :NTSMSAYIR 1dro 104 :DTEMSQWVT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35304 Ang S4.O and Y8.CD1 neighbor-bump: 2.2055 Ang G1.O and N2.CG Number of specific fragments= 1 total=751 # 1a8l.100.100 read from T0180.t2k.frag # found chain 1a8l in template set T0180 100 :NTSMSAYIR 1a8l 101 :GHEFAAFLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=752 # 1qqyA.100.102 read from T0180.t2k.frag # found chain 1qqyA in template set T0180 100 :NTSMSAYIR 1qqyA 102 :PNGMSAWVA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.18817 Ang S4.CB and S4.C self-bump: 1.23515 Ang S4.CA and S4.CB Number of specific fragments= 1 total=753 # 1asu.100.101 read from T0180.t2k.frag # found chain 1asu in template set T0180 100 :NTSMSAYIR 1asu 149 :NSQGQAMVE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.46981 Ang M5.CB and S6.N self-bump: 1.37036 Ang M5.CA and M5.CB Number of specific fragments= 1 total=754 # 1qs2A.100.101 read from T0180.t2k.frag # found chain 1qs2A in template set T0180 100 :NTSMSAYIR 1qs2A 163 :NTINSDAMA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=755 # 1k6aA.100.100 read from T0180.t2k.frag # found chain 1k6aA in template set T0180 100 :NTSMSAYIR 1k6aA 101 :KNTLTNVMK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=756 # 1dro.101.104 read from T0180.t2k.frag # found chain 1dro in template set T0180 101 :TSMSAYIRR 1dro 105 :TEMSQWVTS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35304 Ang S3.O and Y7.CD1 Number of specific fragments= 1 total=757 # 1a8l.101.101 read from T0180.t2k.frag # found chain 1a8l in template set T0180 101 :TSMSAYIRR 1a8l 102 :HEFAAFLED Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=758 # 1qqyA.101.103 read from T0180.t2k.frag # found chain 1qqyA in template set T0180 101 :TSMSAYIRR 1qqyA 103 :NGMSAWVAW Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88275 Ang M4.SD and R10.NH2 other bump:2.67617 Ang M4.SD and R10.CZ other bump:2.44318 Ang M4.SD and R10.NE other bump:2.42612 Ang M4.CE and R10.NE other bump:2.58809 Ang M4.CE and R10.CD self-bump: 2.18817 Ang S3.CB and S3.C self-bump: 1.23515 Ang S3.CA and S3.CB Number of specific fragments= 1 total=759 # 1asu.101.102 read from T0180.t2k.frag # found chain 1asu in template set T0180 101 :TSMSAYIRR 1asu 150 :SQGQAMVER Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.46981 Ang M4.CB and S5.N self-bump: 1.37036 Ang M4.CA and M4.CB Number of specific fragments= 1 total=760 # 1fxmA.101.101 read from T0180.t2k.frag # found chain 1fxmA in training set T0180 101 :TSMSAYIRR 1fxmA 102 :NTLTNVMKN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=761 # 1k6aA.101.101 read from T0180.t2k.frag # found chain 1k6aA in template set T0180 101 :TSMSAYIRR 1k6aA 102 :NTLTNVMKN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=762 # 1dro.102.105 read from T0180.t2k.frag # found chain 1dro in template set T0180 102 :SMSAYIRRI 1dro 106 :EMSQWVTSL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35304 Ang S2.O and Y6.CD1 Number of specific fragments= 1 total=763 # 1a8l.102.102 read from T0180.t2k.frag # found chain 1a8l in template set T0180 102 :SMSAYIRRI 1a8l 103 :EFAAFLEDI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=764 # 1qqyA.102.104 read from T0180.t2k.frag # found chain 1qqyA in template set T0180 102 :SMSAYIRRI 1qqyA 104 :GMSAWVAWV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72565 Ang I7.CD1 and I10.CD1 other bump:2.88275 Ang M3.SD and R9.NH2 other bump:2.67616 Ang M3.SD and R9.CZ other bump:2.44319 Ang M3.SD and R9.NE other bump:2.42612 Ang M3.CE and R9.NE other bump:2.58809 Ang M3.CE and R9.CD Number of specific fragments= 1 total=765 # 1asu.102.103 read from T0180.t2k.frag # found chain 1asu in template set T0180 102 :SMSAYIRRI 1asu 151 :QGQAMVERA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7918 Ang Y6.CD1 and I10.CD1 other bump:2.70357 Ang Y6.CE1 and I10.CD1 neighbor-bump: 2.46981 Ang M3.CB and S4.N self-bump: 1.37036 Ang M3.CA and M3.CB Number of specific fragments= 1 total=766 # 1pxtB.102.103 read from T0180.t2k.frag # adding 1pxtB to template set 1pxtB:# found chain 1pxtB in template set T0180 102 :SMSAYIRRI 1pxtB 131 :AVNDIANKI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=767 # 1fxmA.102.102 read from T0180.t2k.frag # found chain 1fxmA in training set T0180 102 :SMSAYIRRI 1fxmA 103 :TLTNVMKNH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=768 # 1dro.103.106 read from T0180.t2k.frag # found chain 1dro in template set T0180 103 :MSAYIRRII 1dro 107 :MSQWVTSLK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35304 Ang G1.O and Y5.CD1 Number of specific fragments= 1 total=769 # 1a8l.103.103 read from T0180.t2k.frag # found chain 1a8l in template set T0180 103 :MSAYIRRII 1a8l 104 :FAAFLEDIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=770 # 1pxtB.103.104 read from T0180.t2k.frag # found chain 1pxtB in template set T0180 103 :MSAYIRRII 1pxtB 132 :VNDIANKIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=771 # 1qqyA.103.105 read from T0180.t2k.frag # found chain 1qqyA in template set T0180 103 :MSAYIRRII 1qqyA 105 :MSAWVAWVK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.4911 Ang I6.CD1 and I9.CD1 other bump:3.10965 Ang I6.CD1 and I9.CG1 other bump:2.88275 Ang M2.SD and R8.NH2 other bump:2.67616 Ang M2.SD and R8.CZ other bump:2.44319 Ang M2.SD and R8.NE other bump:2.42612 Ang M2.CE and R8.NE other bump:2.58809 Ang M2.CE and R8.CD Number of specific fragments= 1 total=772 # 1kf6D.103.103 read from T0180.t2k.frag # adding 1kf6D to template set 1kf6D:# found chain 1kf6D in template set T0180 103 :MSAYIRRII 1kf6D 103 :LAAILTVVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=773 # 1i58A.103.104 read from T0180.t2k.frag # adding 1i58A to template set 1i58A:# found chain 1i58A in template set T0180 103 :MSAYIRRII 1i58A 456 :KEKIIRKAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=774 # 1dro.104.107 read from T0180.t2k.frag # found chain 1dro in template set T0180 104 :SAYIRRIIL 1dro 108 :SQWVTSLKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=775 # 1a8l.104.104 read from T0180.t2k.frag # found chain 1a8l in template set T0180 104 :SAYIRRIIL 1a8l 105 :AAFLEDIVD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=776 # 1pxtB.104.105 read from T0180.t2k.frag # found chain 1pxtB in template set T0180 104 :SAYIRRIIL 1pxtB 133 :NDIANKIKV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=777 # 1i58A.104.105 read from T0180.t2k.frag # found chain 1i58A in template set T0180 104 :SAYIRRIIL 1i58A 457 :EKIIRKAIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=778 # 1kf6D.104.104 read from T0180.t2k.frag # found chain 1kf6D in template set T0180 104 :SAYIRRIIL 1kf6D 104 :AAILTVVTL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=779 # 1mek.104.105 read from T0180.t2k.frag # adding 1mek to template set 1mek:# found chain 1mek in template set T0180 104 :SAYIRRIIL 1mek 106 :DDIVNWLKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=780 # 1dro.105.108 read from T0180.t2k.frag # found chain 1dro in template set T0180 105 :AYIRRIILN 1dro 109 :QWVTSLKAQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=781 # 1a8l.105.105 read from T0180.t2k.frag # found chain 1a8l in template set T0180 105 :AYIRRIILN 1a8l 106 :AFLEDIVDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=782 # 1pxtB.105.106 read from T0180.t2k.frag # found chain 1pxtB in template set T0180 105 :AYIRRIILN 1pxtB 134 :DIANKIKVG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=783 # 1i58A.105.106 read from T0180.t2k.frag # found chain 1i58A in template set T0180 105 :AYIRRIILN 1i58A 458 :KIIRKAIEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=784 # 1kf6D.105.105 read from T0180.t2k.frag # found chain 1kf6D in template set T0180 105 :AYIRRIILN 1kf6D 105 :AILTVVTLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=785 # 1mek.105.106 read from T0180.t2k.frag # found chain 1mek in template set T0180 105 :AYIRRIILN 1mek 107 :DIVNWLKKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=786 # 1dro.106.109 read from T0180.t2k.frag # found chain 1dro in template set T0180 106 :YIRRIILNH 1dro 110 :WVTSLKAQS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=787 # 1pxtB.106.107 read from T0180.t2k.frag # found chain 1pxtB in template set T0180 106 :YIRRIILNH 1pxtB 135 :IANKIKVGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=788 # 1i58A.106.107 read from T0180.t2k.frag # found chain 1i58A in template set T0180 106 :YIRRIILNH 1i58A 459 :IIRKAIEKG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=789 # 1a8l.106.106 read from T0180.t2k.frag # found chain 1a8l in template set T0180 106 :YIRRIILNH 1a8l 107 :FLEDIVDVS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56997 Ang I6.O and H10.CD2 Number of specific fragments= 1 total=790 # 1kf6D.106.106 read from T0180.t2k.frag # found chain 1kf6D in template set T0180 106 :YIRRIILNH 1kf6D 106 :ILTVVTLIG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26116 Ang I6.O and H10.CD2 Number of specific fragments= 1 total=791 # 1mek.106.107 read from T0180.t2k.frag # found chain 1mek in template set T0180 106 :YIRRIILNH 1mek 108 :IVNWLKKRT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=792 # 1dro.107.110 read from T0180.t2k.frag # found chain 1dro in template set T0180 107 :IRRIILNHL 1dro 111 :VTSLKAQSD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.71565 Ang I5.CG2 and H9.CD2 Number of specific fragments= 1 total=793 # 1pxtB.107.108 read from T0180.t2k.frag # found chain 1pxtB in template set T0180 107 :IRRIILNHL 1pxtB 136 :ANKIKVGQI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2168 Ang R4.C and L10.CD2 other bump:2.88258 Ang I5.CA and L10.CD2 other bump:2.74887 Ang R4.CA and L10.CD2 other bump:2.13969 Ang I5.N and L10.CD2 other bump:2.31091 Ang R4.CB and L10.CD2 Number of specific fragments= 1 total=794 # 1i58A.107.108 read from T0180.t2k.frag # found chain 1i58A in template set T0180 107 :IRRIILNHL 1i58A 460 :IRKAIEKGL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.04348 Ang N8.CB and L10.CD2 Number of specific fragments= 1 total=795 # 1kf6D.107.107 read from T0180.t2k.frag # found chain 1kf6D in template set T0180 107 :IRRIILNHL 1kf6D 107 :LTVVTLIGV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26116 Ang I5.O and H9.CD2 Number of specific fragments= 1 total=796 # 1mek.107.108 read from T0180.t2k.frag # found chain 1mek in template set T0180 107 :IRRIILNHL 1mek 109 :VNWLKKRTG Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.85063 Ang I6.CG1 and L10.CD2 other bump:2.63445 Ang I6.CA and L10.CD2 other bump:1.90317 Ang I6.CB and L10.CD2 other bump:0.581716 Ang I6.CG2 and L10.CD2 other bump:2.9284 Ang I6.C and L10.CD2 other bump:2.63612 Ang I6.CG2 and L10.CD1 other bump:3.19512 Ang I6.CA and L10.CG other bump:3.06988 Ang I6.CB and L10.CG other bump:1.92456 Ang I6.CG2 and L10.CG other bump:2.20621 Ang I6.O and L10.CG other bump:2.73548 Ang I6.C and L10.CG self-bump: 1.29905 Ang H9.CA and H9.CB Number of specific fragments= 1 total=797 # 1a8l.107.107 read from T0180.t2k.frag # found chain 1a8l in template set T0180 107 :IRRIILNHL 1a8l 108 :LEDIVDVSR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=798 # 1dro.108.111 read from T0180.t2k.frag # found chain 1dro in template set T0180 108 :RRIILNHLE 1dro 112 :TSLKAQSDS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.930188 Ang L6.O and E10.OE2 other bump:2.52071 Ang N7.CA and E10.OE2 other bump:1.92059 Ang L6.C and E10.OE2 other bump:1.99528 Ang L6.O and E10.CD other bump:3.14067 Ang L6.C and E10.CD other bump:2.71565 Ang I4.CG2 and H8.CD2 Number of specific fragments= 1 total=799 # 1pxtB.108.109 read from T0180.t2k.frag # found chain 1pxtB in template set T0180 108 :RRIILNHLE 1pxtB 137 :NKIKVGQID Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38505 Ang E10.CA and E10.CB Number of specific fragments= 1 total=800 # 1i58A.108.109 read from T0180.t2k.frag # found chain 1i58A in template set T0180 108 :RRIILNHLE 1i58A 461 :RKAIEKGLI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.04348 Ang N7.CB and L9.CD2 Number of specific fragments= 1 total=801 # 1kf6D.108.108 read from T0180.t2k.frag # found chain 1kf6D in template set T0180 108 :RRIILNHLE 1kf6D 108 :TVVTLIGVV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26116 Ang I4.O and H8.CD2 Number of specific fragments= 1 total=802 # 1mek.108.109 read from T0180.t2k.frag # found chain 1mek in template set T0180 108 :RRIILNHLE 1mek 110 :NWLKKRTGP Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37807 Ang E10.CA and E10.CB other bump:2.85063 Ang I5.CG1 and L9.CD2 other bump:2.63446 Ang I5.CA and L9.CD2 other bump:1.90317 Ang I5.CB and L9.CD2 other bump:2.92841 Ang I5.C and L9.CD2 other bump:0.581716 Ang I5.CG2 and L9.CD2 other bump:2.63612 Ang I5.CG2 and L9.CD1 other bump:3.19512 Ang I5.CA and L9.CG other bump:3.06988 Ang I5.CB and L9.CG other bump:2.20621 Ang I5.O and L9.CG other bump:2.73548 Ang I5.C and L9.CG other bump:1.92457 Ang I5.CG2 and L9.CG self-bump: 1.29905 Ang H8.CA and H8.CB Number of specific fragments= 1 total=803 # 1prxB.108.109 read from T0180.t2k.frag # adding 1prxB to template set 1prxB:# found chain 1prxB in template set T0180 108 :RRIILNHLE 1prxB 110 :LAILLGMLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=804 # 1dro.109.112 read from T0180.t2k.frag # found chain 1dro in template set T0180 109 :RIILNHLED 1dro 113 :SLKAQSDST Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37937 Ang D10.CA and D10.CB other bump:2.71565 Ang I3.CG2 and H7.CD2 Number of specific fragments= 1 total=805 # 1pxtB.109.110 read from T0180.t2k.frag # found chain 1pxtB in template set T0180 109 :RIILNHLED 1pxtB 138 :KIKVGQIDI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38505 Ang E9.CA and E9.CB other bump:1.80482 Ang R2.NH1 and L8.CD1 Number of specific fragments= 1 total=806 # 1kf6D.109.109 read from T0180.t2k.frag # found chain 1kf6D in template set T0180 109 :RIILNHLED 1kf6D 109 :VVTLIGVVT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.41002 Ang D10.CA and D10.C neighbor-bump: 2.09359 Ang E9.O and D10.CB neighbor-bump: 2.41128 Ang E9.C and D10.CB other bump:2.26116 Ang I3.O and H7.CD2 Number of specific fragments= 1 total=807 # 1i58A.109.110 read from T0180.t2k.frag # found chain 1i58A in template set T0180 109 :RIILNHLED 1i58A 462 :KAIEKGLID Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.04348 Ang N6.CB and L8.CD2 Number of specific fragments= 1 total=808 # 1mek.109.110 read from T0180.t2k.frag # found chain 1mek in template set T0180 109 :RIILNHLED 1mek 111 :WLKKRTGPA Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.90317 Ang I4.CB and L8.CD2 other bump:0.581714 Ang I4.CG2 and L8.CD2 other bump:2.85063 Ang I4.CG1 and L8.CD2 other bump:2.63445 Ang I4.CA and L8.CD2 other bump:2.9284 Ang I4.C and L8.CD2 other bump:2.63612 Ang I4.CG2 and L8.CD1 other bump:3.06988 Ang I4.CB and L8.CG other bump:1.92457 Ang I4.CG2 and L8.CG other bump:3.19512 Ang I4.CA and L8.CG other bump:2.20621 Ang I4.O and L8.CG other bump:2.73548 Ang I4.C and L8.CG self-bump: 1.29905 Ang H7.CA and H7.CB Number of specific fragments= 1 total=809 # 1ef4A.109.45 read from T0180.t2k.frag # adding 1ef4A to template set 1ef4A:# found chain 1ef4A in template set T0180 109 :RIILNHLED 1ef4A 46 :RMLISHVET Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.10317 Ang I4.CG2 and L8.CD2 other bump:2.09222 Ang I4.CA and L8.CD2 other bump:1.67811 Ang I4.CB and L8.CD2 other bump:2.76371 Ang I4.CD1 and L8.CD2 other bump:1.46887 Ang I4.CG1 and L8.CD2 other bump:0.632835 Ang I4.CG2 and L8.CD1 other bump:2.54266 Ang I4.CA and L8.CD1 other bump:1.89855 Ang I4.CB and L8.CD1 other bump:2.46904 Ang I4.C and L8.CD1 other bump:2.92836 Ang L5.N and L8.CD1 other bump:1.48834 Ang I4.CG2 and L8.CG other bump:1.8824 Ang I4.CA and L8.CG other bump:2.4376 Ang I4.O and L8.CG other bump:1.85752 Ang I4.CB and L8.CG other bump:2.69311 Ang I4.CG1 and L8.CG other bump:2.27033 Ang I4.C and L8.CG other bump:2.59355 Ang I4.CG2 and L8.CB other bump:3.28257 Ang I4.CA and L8.CB Number of specific fragments= 1 total=810 # command:# Prefix for input files set to 1bx0A/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0180 read from T0180-1bx0A-local-adpstyle1.pw.a2m.gz # 1bx0A read from T0180-1bx0A-local-adpstyle1.pw.a2m.gz # found chain 1bx0A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1bx0A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGDAK Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.14305 Ang K29.CD and G36.CA other bump:2.34326 Ang K29.CE and G36.CA other bump:2.73158 Ang K29.CE and G36.N self-bump: 2.17115 Ang P33.CA and P33.CD self-bump: 2.10074 Ang P33.CA and P33.CG neighbor-bump: 2.50371 Ang R31.C and V32.CB other bump:2.19055 Ang I25.CD1 and S30.N other bump:2.58392 Ang I25.CD1 and K29.C other bump:3.09031 Ang I25.CG1 and K29.C other bump:2.86575 Ang I25.CD1 and K29.CD other bump:2.81035 Ang I25.CD1 and K29.CB neighbor-bump: 2.5981 Ang L28.C and K29.CB neighbor-bump: 2.22861 Ang L28.O and K29.CB other bump:2.27074 Ang I25.CD1 and K29.CA other bump:2.75836 Ang I25.CG1 and K29.CA other bump:2.76182 Ang D23.OD1 and I25.CG2 other bump:2.81947 Ang V16.CG1 and R19.NH1 other bump:3.28611 Ang R5.NE and V18.CG2 other bump:2.96104 Ang R5.CZ and V18.CG2 neighbor-bump: 1.55423 Ang D12.O and T13.OG1 neighbor-bump: 2.30981 Ang D12.C and T13.OG1 T0180 37 :SMSAYIRRIILN 1bx0A 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1bx0A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.89139 Ang K29.CB and P30.CA neighbor-bump: 2.34572 Ang K29.CG and P30.CA neighbor-bump: 2.41295 Ang K29.CG and P30.N neighbor-bump: 1.84416 Ang T28.O and K29.CB neighbor-bump: 2.35801 Ang T28.C and K29.CB other bump:3.19491 Ang R19.CD and L25.CD2 other bump:2.61241 Ang R19.NE and L25.CD2 other bump:1.57644 Ang R19.CZ and L25.CD2 other bump:0.353693 Ang R19.NH1 and L25.CD2 other bump:2.38672 Ang R19.NH2 and L25.CD2 other bump:2.46505 Ang R19.CD and L25.CD1 other bump:2.42051 Ang R19.NE and L25.CD1 other bump:2.31184 Ang R19.CZ and L25.CD1 other bump:2.18644 Ang R19.NH1 and L25.CD1 other bump:2.47775 Ang R19.NH1 and L25.CB other bump:2.25739 Ang M16.SD and R19.NH2 other bump:2.23505 Ang M16.CE and R19.NH2 other bump:2.45 Ang M16.SD and R19.CZ other bump:3.14503 Ang M16.CE and R19.CZ other bump:2.07064 Ang M16.SD and R19.NE Number of specific fragments= 3 total=813 Number of alignments=51 # Reading fragments from alignment file # T0180 read from T0180-1bx0A-local-adpstyle5.pw.a2m.gz # 1bx0A read from T0180-1bx0A-local-adpstyle5.pw.a2m.gz # found chain 1bx0A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1bx0A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGD Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.20966 Ang R31.CA and P33.CD neighbor-bump: 2.25489 Ang V32.N and P33.CD other bump:2.19088 Ang R31.O and P33.CD other bump:2.17524 Ang R31.C and P33.CD neighbor-bump: 2.1086 Ang V32.C and P33.CD self-bump: 1.3977 Ang P33.N and P33.CD neighbor-bump: 2.50371 Ang R31.C and V32.CB other bump:2.19055 Ang I25.CD1 and S30.N other bump:3.09031 Ang I25.CG1 and K29.C other bump:2.58392 Ang I25.CD1 and K29.C other bump:2.86575 Ang I25.CD1 and K29.CD other bump:2.81035 Ang I25.CD1 and K29.CB neighbor-bump: 2.22861 Ang L28.O and K29.CB neighbor-bump: 2.5981 Ang L28.C and K29.CB other bump:2.75836 Ang I25.CG1 and K29.CA other bump:2.27074 Ang I25.CD1 and K29.CA other bump:2.76182 Ang D23.OD1 and I25.CG2 other bump:2.81947 Ang V16.CG1 and R19.NH1 other bump:3.28611 Ang R5.NE and V18.CG2 other bump:2.96104 Ang R5.CZ and V18.CG2 neighbor-bump: 1.55423 Ang D12.O and T13.OG1 neighbor-bump: 2.30981 Ang D12.C and T13.OG1 T0180 35 :NTSMSAYIRRIILN 1bx0A 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVVVR 1bx0A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVGKE Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.02086 Ang V31.O and V32.CG2 neighbor-bump: 2.55995 Ang V31.C and V32.CG2 neighbor-bump: 2.11864 Ang V31.O and V32.CB neighbor-bump: 2.59902 Ang V31.C and V32.CB neighbor-bump: 2.89139 Ang K29.CB and P30.CA neighbor-bump: 2.34572 Ang K29.CG and P30.CA neighbor-bump: 2.41295 Ang K29.CG and P30.N neighbor-bump: 2.35801 Ang T28.C and K29.CB neighbor-bump: 1.84416 Ang T28.O and K29.CB other bump:3.19491 Ang R19.CD and L25.CD2 other bump:2.61241 Ang R19.NE and L25.CD2 other bump:1.57644 Ang R19.CZ and L25.CD2 other bump:0.353693 Ang R19.NH1 and L25.CD2 other bump:2.38672 Ang R19.NH2 and L25.CD2 other bump:2.46505 Ang R19.CD and L25.CD1 other bump:2.42051 Ang R19.NE and L25.CD1 other bump:2.31184 Ang R19.CZ and L25.CD1 other bump:2.18644 Ang R19.NH1 and L25.CD1 other bump:2.47775 Ang R19.NH1 and L25.CB other bump:2.25739 Ang M16.SD and R19.NH2 other bump:2.23505 Ang M16.CE and R19.NH2 other bump:2.45 Ang M16.SD and R19.CZ other bump:3.14503 Ang M16.CE and R19.CZ other bump:2.07064 Ang M16.SD and R19.NE Number of specific fragments= 3 total=816 Number of alignments=52 # Reading fragments from alignment file # T0180 read from T0180-1bx0A-simpleSW-adpstyle1.pw.a2m.gz # 1bx0A read from T0180-1bx0A-simpleSW-adpstyle1.pw.a2m.gz # found chain 1bx0A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1bx0A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGDAK Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.14305 Ang K29.CD and G36.CA other bump:2.34326 Ang K29.CE and G36.CA other bump:2.73158 Ang K29.CE and G36.N self-bump: 2.17115 Ang P33.CA and P33.CD self-bump: 2.10074 Ang P33.CA and P33.CG neighbor-bump: 2.50371 Ang R31.C and V32.CB other bump:2.19055 Ang I25.CD1 and S30.N other bump:2.58392 Ang I25.CD1 and K29.C other bump:3.09031 Ang I25.CG1 and K29.C other bump:2.86575 Ang I25.CD1 and K29.CD other bump:2.81035 Ang I25.CD1 and K29.CB neighbor-bump: 2.5981 Ang L28.C and K29.CB neighbor-bump: 2.22861 Ang L28.O and K29.CB other bump:2.27074 Ang I25.CD1 and K29.CA other bump:2.75836 Ang I25.CG1 and K29.CA other bump:2.76182 Ang D23.OD1 and I25.CG2 other bump:2.81947 Ang V16.CG1 and R19.NH1 other bump:3.28611 Ang R5.NE and V18.CG2 other bump:2.96104 Ang R5.CZ and V18.CG2 neighbor-bump: 1.55423 Ang D12.O and T13.OG1 neighbor-bump: 2.30981 Ang D12.C and T13.OG1 T0180 37 :SMSAYIRRIILN 1bx0A 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1bx0A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.89139 Ang K29.CB and P30.CA neighbor-bump: 2.34572 Ang K29.CG and P30.CA neighbor-bump: 2.41295 Ang K29.CG and P30.N neighbor-bump: 1.84416 Ang T28.O and K29.CB neighbor-bump: 2.35801 Ang T28.C and K29.CB other bump:3.19491 Ang R19.CD and L25.CD2 other bump:2.61241 Ang R19.NE and L25.CD2 other bump:1.57644 Ang R19.CZ and L25.CD2 other bump:0.353693 Ang R19.NH1 and L25.CD2 other bump:2.38672 Ang R19.NH2 and L25.CD2 other bump:2.46505 Ang R19.CD and L25.CD1 other bump:2.42051 Ang R19.NE and L25.CD1 other bump:2.31184 Ang R19.CZ and L25.CD1 other bump:2.18644 Ang R19.NH1 and L25.CD1 other bump:2.47775 Ang R19.NH1 and L25.CB other bump:2.25739 Ang M16.SD and R19.NH2 other bump:2.23505 Ang M16.CE and R19.NH2 other bump:2.45 Ang M16.SD and R19.CZ other bump:3.14503 Ang M16.CE and R19.CZ other bump:2.07064 Ang M16.SD and R19.NE Number of specific fragments= 3 total=819 Number of alignments=53 # Reading fragments from alignment file # T0180 read from T0180-1bx0A-simpleSW-adpstyle5.pw.a2m.gz # 1bx0A read from T0180-1bx0A-simpleSW-adpstyle5.pw.a2m.gz # found chain 1bx0A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1bx0A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGD Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.20966 Ang R31.CA and P33.CD neighbor-bump: 2.25489 Ang V32.N and P33.CD other bump:2.19088 Ang R31.O and P33.CD other bump:2.17524 Ang R31.C and P33.CD neighbor-bump: 2.1086 Ang V32.C and P33.CD self-bump: 1.3977 Ang P33.N and P33.CD neighbor-bump: 2.50371 Ang R31.C and V32.CB other bump:2.19055 Ang I25.CD1 and S30.N other bump:3.09031 Ang I25.CG1 and K29.C other bump:2.58392 Ang I25.CD1 and K29.C other bump:2.86575 Ang I25.CD1 and K29.CD other bump:2.81035 Ang I25.CD1 and K29.CB neighbor-bump: 2.22861 Ang L28.O and K29.CB neighbor-bump: 2.5981 Ang L28.C and K29.CB other bump:2.75836 Ang I25.CG1 and K29.CA other bump:2.27074 Ang I25.CD1 and K29.CA other bump:2.76182 Ang D23.OD1 and I25.CG2 other bump:2.81947 Ang V16.CG1 and R19.NH1 other bump:3.28611 Ang R5.NE and V18.CG2 other bump:2.96104 Ang R5.CZ and V18.CG2 neighbor-bump: 1.55423 Ang D12.O and T13.OG1 neighbor-bump: 2.30981 Ang D12.C and T13.OG1 T0180 35 :NTSMSAYIRRIILN 1bx0A 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1bx0A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVG Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.02086 Ang V31.O and V32.CG2 neighbor-bump: 2.55995 Ang V31.C and V32.CG2 neighbor-bump: 2.11864 Ang V31.O and V32.CB neighbor-bump: 2.59902 Ang V31.C and V32.CB neighbor-bump: 2.89139 Ang K29.CB and P30.CA neighbor-bump: 2.34572 Ang K29.CG and P30.CA neighbor-bump: 2.41295 Ang K29.CG and P30.N neighbor-bump: 1.84416 Ang T28.O and K29.CB neighbor-bump: 2.35801 Ang T28.C and K29.CB other bump:1.57644 Ang R19.CZ and L25.CD2 other bump:0.353693 Ang R19.NH1 and L25.CD2 other bump:3.19491 Ang R19.CD and L25.CD2 other bump:2.61241 Ang R19.NE and L25.CD2 other bump:2.38672 Ang R19.NH2 and L25.CD2 other bump:2.31184 Ang R19.CZ and L25.CD1 other bump:2.18644 Ang R19.NH1 and L25.CD1 other bump:2.46505 Ang R19.CD and L25.CD1 other bump:2.42051 Ang R19.NE and L25.CD1 other bump:2.47775 Ang R19.NH1 and L25.CB other bump:2.23505 Ang M16.CE and R19.NH2 other bump:2.25739 Ang M16.SD and R19.NH2 other bump:3.14503 Ang M16.CE and R19.CZ other bump:2.45 Ang M16.SD and R19.CZ other bump:2.07064 Ang M16.SD and R19.NE Number of specific fragments= 3 total=822 Number of alignments=54 # Reading fragments from alignment file # T0180 read from T0180-1bx0A-vit-adpstyle1.pw.a2m.gz # 1bx0A read from T0180-1bx0A-vit-adpstyle1.pw.a2m.gz # found chain 1bx0A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1bx0A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGDAK Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.14305 Ang K29.CD and G36.CA other bump:2.34326 Ang K29.CE and G36.CA other bump:2.73158 Ang K29.CE and G36.N self-bump: 2.17115 Ang P33.CA and P33.CD self-bump: 2.10074 Ang P33.CA and P33.CG neighbor-bump: 2.50371 Ang R31.C and V32.CB other bump:2.19055 Ang I25.CD1 and S30.N other bump:2.58392 Ang I25.CD1 and K29.C other bump:3.09031 Ang I25.CG1 and K29.C other bump:2.86575 Ang I25.CD1 and K29.CD other bump:2.81035 Ang I25.CD1 and K29.CB neighbor-bump: 2.5981 Ang L28.C and K29.CB neighbor-bump: 2.22861 Ang L28.O and K29.CB other bump:2.27074 Ang I25.CD1 and K29.CA other bump:2.75836 Ang I25.CG1 and K29.CA other bump:2.76182 Ang D23.OD1 and I25.CG2 other bump:2.81947 Ang V16.CG1 and R19.NH1 other bump:3.28611 Ang R5.NE and V18.CG2 other bump:2.96104 Ang R5.CZ and V18.CG2 neighbor-bump: 1.55423 Ang D12.O and T13.OG1 neighbor-bump: 2.30981 Ang D12.C and T13.OG1 T0180 37 :SMSAYIRRIILN 1bx0A 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1bx0A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.89139 Ang K29.CB and P30.CA neighbor-bump: 2.34572 Ang K29.CG and P30.CA neighbor-bump: 2.41295 Ang K29.CG and P30.N neighbor-bump: 1.84416 Ang T28.O and K29.CB neighbor-bump: 2.35801 Ang T28.C and K29.CB other bump:3.19491 Ang R19.CD and L25.CD2 other bump:2.61241 Ang R19.NE and L25.CD2 other bump:1.57644 Ang R19.CZ and L25.CD2 other bump:0.353693 Ang R19.NH1 and L25.CD2 other bump:2.38672 Ang R19.NH2 and L25.CD2 other bump:2.46505 Ang R19.CD and L25.CD1 other bump:2.42051 Ang R19.NE and L25.CD1 other bump:2.31184 Ang R19.CZ and L25.CD1 other bump:2.18644 Ang R19.NH1 and L25.CD1 other bump:2.47775 Ang R19.NH1 and L25.CB other bump:2.25739 Ang M16.SD and R19.NH2 other bump:2.23505 Ang M16.CE and R19.NH2 other bump:2.45 Ang M16.SD and R19.CZ other bump:3.14503 Ang M16.CE and R19.CZ other bump:2.07064 Ang M16.SD and R19.NE Number of specific fragments= 3 total=825 Number of alignments=55 # Reading fragments from alignment file # T0180 read from T0180-1bx0A-vit-adpstyle5.pw.a2m.gz # 1bx0A read from T0180-1bx0A-vit-adpstyle5.pw.a2m.gz # found chain 1bx0A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1bx0A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGD Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.20966 Ang R31.CA and P33.CD neighbor-bump: 2.25489 Ang V32.N and P33.CD other bump:2.19088 Ang R31.O and P33.CD other bump:2.17524 Ang R31.C and P33.CD neighbor-bump: 2.1086 Ang V32.C and P33.CD self-bump: 1.3977 Ang P33.N and P33.CD neighbor-bump: 2.50371 Ang R31.C and V32.CB other bump:2.19055 Ang I25.CD1 and S30.N other bump:3.09031 Ang I25.CG1 and K29.C other bump:2.58392 Ang I25.CD1 and K29.C other bump:2.86575 Ang I25.CD1 and K29.CD other bump:2.81035 Ang I25.CD1 and K29.CB neighbor-bump: 2.22861 Ang L28.O and K29.CB neighbor-bump: 2.5981 Ang L28.C and K29.CB other bump:2.75836 Ang I25.CG1 and K29.CA other bump:2.27074 Ang I25.CD1 and K29.CA other bump:2.76182 Ang D23.OD1 and I25.CG2 other bump:2.81947 Ang V16.CG1 and R19.NH1 other bump:3.28611 Ang R5.NE and V18.CG2 other bump:2.96104 Ang R5.CZ and V18.CG2 neighbor-bump: 1.55423 Ang D12.O and T13.OG1 neighbor-bump: 2.30981 Ang D12.C and T13.OG1 T0180 35 :NTSMSAYIRRIILN 1bx0A 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVVVR 1bx0A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVGKE Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.02086 Ang V31.O and V32.CG2 neighbor-bump: 2.55995 Ang V31.C and V32.CG2 neighbor-bump: 2.11864 Ang V31.O and V32.CB neighbor-bump: 2.59902 Ang V31.C and V32.CB neighbor-bump: 2.89139 Ang K29.CB and P30.CA neighbor-bump: 2.34572 Ang K29.CG and P30.CA neighbor-bump: 2.41295 Ang K29.CG and P30.N neighbor-bump: 2.35801 Ang T28.C and K29.CB neighbor-bump: 1.84416 Ang T28.O and K29.CB other bump:3.19491 Ang R19.CD and L25.CD2 other bump:2.61241 Ang R19.NE and L25.CD2 other bump:1.57644 Ang R19.CZ and L25.CD2 other bump:0.353693 Ang R19.NH1 and L25.CD2 other bump:2.38672 Ang R19.NH2 and L25.CD2 other bump:2.46505 Ang R19.CD and L25.CD1 other bump:2.42051 Ang R19.NE and L25.CD1 other bump:2.31184 Ang R19.CZ and L25.CD1 other bump:2.18644 Ang R19.NH1 and L25.CD1 other bump:2.47775 Ang R19.NH1 and L25.CB other bump:2.25739 Ang M16.SD and R19.NH2 other bump:2.23505 Ang M16.CE and R19.NH2 other bump:2.45 Ang M16.SD and R19.CZ other bump:3.14503 Ang M16.CE and R19.CZ other bump:2.07064 Ang M16.SD and R19.NE Number of specific fragments= 3 total=828 Number of alignments=56 # command:# Prefix for input files set to 1bx1A/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0180 read from T0180-1bx1A-local-adpstyle1.pw.a2m.gz # 1bx1A read from T0180-1bx1A-local-adpstyle1.pw.a2m.gz # found chain 1bx1A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1bx1A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGDAK Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.22334 Ang K29.CD and G36.CA other bump:2.44124 Ang K29.CE and G36.CA self-bump: 2.15797 Ang P33.CA and P33.CD self-bump: 2.08864 Ang P33.CA and P33.CG neighbor-bump: 2.54427 Ang R31.C and V32.CB other bump:2.21449 Ang I25.CD1 and S30.N other bump:2.62654 Ang I25.CD1 and K29.C other bump:3.0985 Ang I25.CG1 and K29.C other bump:2.81031 Ang I25.CD1 and K29.CD other bump:2.79283 Ang I25.CD1 and K29.CB neighbor-bump: 2.61178 Ang L28.C and K29.CB neighbor-bump: 2.23584 Ang L28.O and K29.CB other bump:2.30903 Ang I25.CD1 and K29.CA other bump:2.7611 Ang I25.CG1 and K29.CA other bump:2.27841 Ang D23.OD1 and I25.O other bump:2.70791 Ang D23.OD1 and I25.CG2 other bump:2.76724 Ang V16.CG1 and R19.NH1 other bump:3.19452 Ang R5.NE and V18.CG2 other bump:2.84092 Ang R5.CZ and V18.CG2 neighbor-bump: 1.59173 Ang D12.O and T13.OG1 neighbor-bump: 2.30081 Ang D12.C and T13.OG1 T0180 37 :SMSAYIRRIILN 1bx1A 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1bx1A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.87217 Ang K29.CB and P30.CA neighbor-bump: 2.34007 Ang K29.CG and P30.CA neighbor-bump: 2.40297 Ang K29.CG and P30.N neighbor-bump: 1.86672 Ang T28.O and K29.CB neighbor-bump: 2.36352 Ang T28.C and K29.CB other bump:2.74079 Ang R19.NE and L25.CD2 other bump:1.72482 Ang R19.CZ and L25.CD2 other bump:0.451951 Ang R19.NH1 and L25.CD2 other bump:2.52747 Ang R19.NH2 and L25.CD2 other bump:2.5546 Ang R19.NE and L25.CD1 other bump:2.69943 Ang R19.CD and L25.CD1 other bump:2.32374 Ang R19.CZ and L25.CD1 other bump:2.16311 Ang R19.NH1 and L25.CD1 other bump:2.55761 Ang R19.NH1 and L25.CB other bump:1.93907 Ang M16.SD and R19.NH2 other bump:1.9249 Ang M16.CE and R19.NH2 other bump:2.18253 Ang M16.SD and R19.CZ other bump:2.94332 Ang M16.CE and R19.CZ other bump:1.94051 Ang M16.SD and R19.NE Number of specific fragments= 3 total=831 Number of alignments=57 # Reading fragments from alignment file # T0180 read from T0180-1bx1A-local-adpstyle5.pw.a2m.gz # 1bx1A read from T0180-1bx1A-local-adpstyle5.pw.a2m.gz # found chain 1bx1A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1bx1A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGD Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.16857 Ang R31.CA and P33.CD neighbor-bump: 2.27456 Ang V32.N and P33.CD other bump:2.14147 Ang R31.O and P33.CD other bump:2.14217 Ang R31.C and P33.CD self-bump: 1.3958 Ang P33.N and P33.CD neighbor-bump: 2.54427 Ang R31.C and V32.CB other bump:2.21449 Ang I25.CD1 and S30.N other bump:3.0985 Ang I25.CG1 and K29.C other bump:2.62654 Ang I25.CD1 and K29.C other bump:2.81031 Ang I25.CD1 and K29.CD other bump:2.79283 Ang I25.CD1 and K29.CB neighbor-bump: 2.23584 Ang L28.O and K29.CB neighbor-bump: 2.61178 Ang L28.C and K29.CB other bump:2.7611 Ang I25.CG1 and K29.CA other bump:2.30903 Ang I25.CD1 and K29.CA other bump:2.27841 Ang D23.OD1 and I25.O other bump:2.70791 Ang D23.OD1 and I25.CG2 other bump:2.76724 Ang V16.CG1 and R19.NH1 other bump:3.19452 Ang R5.NE and V18.CG2 other bump:2.84092 Ang R5.CZ and V18.CG2 neighbor-bump: 1.59173 Ang D12.O and T13.OG1 neighbor-bump: 2.30081 Ang D12.C and T13.OG1 T0180 35 :NTSMSAYIRRIILN 1bx1A 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVVVR 1bx1A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVGKE Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.05508 Ang V31.O and V32.CG2 neighbor-bump: 2.58451 Ang V31.C and V32.CG2 neighbor-bump: 2.15683 Ang V31.O and V32.CB neighbor-bump: 2.61624 Ang V31.C and V32.CB neighbor-bump: 2.87217 Ang K29.CB and P30.CA neighbor-bump: 2.34007 Ang K29.CG and P30.CA neighbor-bump: 2.40297 Ang K29.CG and P30.N neighbor-bump: 2.36352 Ang T28.C and K29.CB neighbor-bump: 1.86672 Ang T28.O and K29.CB other bump:2.74079 Ang R19.NE and L25.CD2 other bump:1.72482 Ang R19.CZ and L25.CD2 other bump:0.451951 Ang R19.NH1 and L25.CD2 other bump:2.52747 Ang R19.NH2 and L25.CD2 other bump:2.5546 Ang R19.NE and L25.CD1 other bump:2.69943 Ang R19.CD and L25.CD1 other bump:2.32374 Ang R19.CZ and L25.CD1 other bump:2.16311 Ang R19.NH1 and L25.CD1 other bump:2.55761 Ang R19.NH1 and L25.CB other bump:1.93907 Ang M16.SD and R19.NH2 other bump:1.9249 Ang M16.CE and R19.NH2 other bump:2.18253 Ang M16.SD and R19.CZ other bump:2.94332 Ang M16.CE and R19.CZ other bump:1.94051 Ang M16.SD and R19.NE Number of specific fragments= 3 total=834 Number of alignments=58 # Reading fragments from alignment file # T0180 read from T0180-1bx1A-simpleSW-adpstyle1.pw.a2m.gz # 1bx1A read from T0180-1bx1A-simpleSW-adpstyle1.pw.a2m.gz # found chain 1bx1A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1bx1A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGDAK Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.22334 Ang K29.CD and G36.CA other bump:2.44124 Ang K29.CE and G36.CA self-bump: 2.15797 Ang P33.CA and P33.CD self-bump: 2.08864 Ang P33.CA and P33.CG neighbor-bump: 2.54427 Ang R31.C and V32.CB other bump:2.21449 Ang I25.CD1 and S30.N other bump:2.62654 Ang I25.CD1 and K29.C other bump:3.0985 Ang I25.CG1 and K29.C other bump:2.81031 Ang I25.CD1 and K29.CD other bump:2.79283 Ang I25.CD1 and K29.CB neighbor-bump: 2.61178 Ang L28.C and K29.CB neighbor-bump: 2.23584 Ang L28.O and K29.CB other bump:2.30903 Ang I25.CD1 and K29.CA other bump:2.7611 Ang I25.CG1 and K29.CA other bump:2.27841 Ang D23.OD1 and I25.O other bump:2.70791 Ang D23.OD1 and I25.CG2 other bump:2.76724 Ang V16.CG1 and R19.NH1 other bump:3.19452 Ang R5.NE and V18.CG2 other bump:2.84092 Ang R5.CZ and V18.CG2 neighbor-bump: 1.59173 Ang D12.O and T13.OG1 neighbor-bump: 2.30081 Ang D12.C and T13.OG1 T0180 37 :SMSAYIRRIILN 1bx1A 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1bx1A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.87217 Ang K29.CB and P30.CA neighbor-bump: 2.34007 Ang K29.CG and P30.CA neighbor-bump: 2.40297 Ang K29.CG and P30.N neighbor-bump: 1.86672 Ang T28.O and K29.CB neighbor-bump: 2.36352 Ang T28.C and K29.CB other bump:2.74079 Ang R19.NE and L25.CD2 other bump:1.72482 Ang R19.CZ and L25.CD2 other bump:0.451951 Ang R19.NH1 and L25.CD2 other bump:2.52747 Ang R19.NH2 and L25.CD2 other bump:2.5546 Ang R19.NE and L25.CD1 other bump:2.69943 Ang R19.CD and L25.CD1 other bump:2.32374 Ang R19.CZ and L25.CD1 other bump:2.16311 Ang R19.NH1 and L25.CD1 other bump:2.55761 Ang R19.NH1 and L25.CB other bump:1.93907 Ang M16.SD and R19.NH2 other bump:1.9249 Ang M16.CE and R19.NH2 other bump:2.18253 Ang M16.SD and R19.CZ other bump:2.94332 Ang M16.CE and R19.CZ other bump:1.94051 Ang M16.SD and R19.NE Number of specific fragments= 3 total=837 Number of alignments=59 # Reading fragments from alignment file # T0180 read from T0180-1bx1A-simpleSW-adpstyle5.pw.a2m.gz # 1bx1A read from T0180-1bx1A-simpleSW-adpstyle5.pw.a2m.gz # found chain 1bx1A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1bx1A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGD Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.16857 Ang R31.CA and P33.CD neighbor-bump: 2.27456 Ang V32.N and P33.CD other bump:2.14147 Ang R31.O and P33.CD other bump:2.14217 Ang R31.C and P33.CD self-bump: 1.3958 Ang P33.N and P33.CD neighbor-bump: 2.54427 Ang R31.C and V32.CB other bump:2.21449 Ang I25.CD1 and S30.N other bump:3.0985 Ang I25.CG1 and K29.C other bump:2.62654 Ang I25.CD1 and K29.C other bump:2.81031 Ang I25.CD1 and K29.CD other bump:2.79283 Ang I25.CD1 and K29.CB neighbor-bump: 2.23584 Ang L28.O and K29.CB neighbor-bump: 2.61178 Ang L28.C and K29.CB other bump:2.7611 Ang I25.CG1 and K29.CA other bump:2.30903 Ang I25.CD1 and K29.CA other bump:2.27841 Ang D23.OD1 and I25.O other bump:2.70791 Ang D23.OD1 and I25.CG2 other bump:2.76724 Ang V16.CG1 and R19.NH1 other bump:3.19452 Ang R5.NE and V18.CG2 other bump:2.84092 Ang R5.CZ and V18.CG2 neighbor-bump: 1.59173 Ang D12.O and T13.OG1 neighbor-bump: 2.30081 Ang D12.C and T13.OG1 T0180 35 :NTSMSAYIRRIILN 1bx1A 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1bx1A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVG Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.05508 Ang V31.O and V32.CG2 neighbor-bump: 2.58452 Ang V31.C and V32.CG2 neighbor-bump: 2.15684 Ang V31.O and V32.CB neighbor-bump: 2.61624 Ang V31.C and V32.CB neighbor-bump: 2.87217 Ang K29.CB and P30.CA neighbor-bump: 2.34007 Ang K29.CG and P30.CA neighbor-bump: 2.40297 Ang K29.CG and P30.N neighbor-bump: 1.86672 Ang T28.O and K29.CB neighbor-bump: 2.36352 Ang T28.C and K29.CB other bump:2.74079 Ang R19.NE and L25.CD2 other bump:1.72482 Ang R19.CZ and L25.CD2 other bump:0.451951 Ang R19.NH1 and L25.CD2 other bump:2.52747 Ang R19.NH2 and L25.CD2 other bump:2.5546 Ang R19.NE and L25.CD1 other bump:2.32374 Ang R19.CZ and L25.CD1 other bump:2.16311 Ang R19.NH1 and L25.CD1 other bump:2.69943 Ang R19.CD and L25.CD1 other bump:2.55761 Ang R19.NH1 and L25.CB other bump:1.9249 Ang M16.CE and R19.NH2 other bump:1.93907 Ang M16.SD and R19.NH2 other bump:2.94332 Ang M16.CE and R19.CZ other bump:2.18253 Ang M16.SD and R19.CZ other bump:1.94051 Ang M16.SD and R19.NE Number of specific fragments= 3 total=840 Number of alignments=60 # Reading fragments from alignment file # T0180 read from T0180-1bx1A-vit-adpstyle1.pw.a2m.gz # 1bx1A read from T0180-1bx1A-vit-adpstyle1.pw.a2m.gz # found chain 1bx1A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1bx1A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGDAK Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.22334 Ang K29.CD and G36.CA other bump:2.44124 Ang K29.CE and G36.CA self-bump: 2.15797 Ang P33.CA and P33.CD self-bump: 2.08864 Ang P33.CA and P33.CG neighbor-bump: 2.54427 Ang R31.C and V32.CB other bump:2.21449 Ang I25.CD1 and S30.N other bump:2.62654 Ang I25.CD1 and K29.C other bump:3.0985 Ang I25.CG1 and K29.C other bump:2.81031 Ang I25.CD1 and K29.CD other bump:2.79283 Ang I25.CD1 and K29.CB neighbor-bump: 2.61178 Ang L28.C and K29.CB neighbor-bump: 2.23584 Ang L28.O and K29.CB other bump:2.30903 Ang I25.CD1 and K29.CA other bump:2.7611 Ang I25.CG1 and K29.CA other bump:2.27841 Ang D23.OD1 and I25.O other bump:2.70791 Ang D23.OD1 and I25.CG2 other bump:2.76724 Ang V16.CG1 and R19.NH1 other bump:3.19452 Ang R5.NE and V18.CG2 other bump:2.84092 Ang R5.CZ and V18.CG2 neighbor-bump: 1.59173 Ang D12.O and T13.OG1 neighbor-bump: 2.30081 Ang D12.C and T13.OG1 T0180 37 :SMSAYIRRIILN 1bx1A 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1bx1A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.87217 Ang K29.CB and P30.CA neighbor-bump: 2.34007 Ang K29.CG and P30.CA neighbor-bump: 2.40297 Ang K29.CG and P30.N neighbor-bump: 1.86672 Ang T28.O and K29.CB neighbor-bump: 2.36352 Ang T28.C and K29.CB other bump:2.74079 Ang R19.NE and L25.CD2 other bump:1.72482 Ang R19.CZ and L25.CD2 other bump:0.451951 Ang R19.NH1 and L25.CD2 other bump:2.52747 Ang R19.NH2 and L25.CD2 other bump:2.5546 Ang R19.NE and L25.CD1 other bump:2.69943 Ang R19.CD and L25.CD1 other bump:2.32374 Ang R19.CZ and L25.CD1 other bump:2.16311 Ang R19.NH1 and L25.CD1 other bump:2.55761 Ang R19.NH1 and L25.CB other bump:1.93907 Ang M16.SD and R19.NH2 other bump:1.9249 Ang M16.CE and R19.NH2 other bump:2.18253 Ang M16.SD and R19.CZ other bump:2.94332 Ang M16.CE and R19.CZ other bump:1.94051 Ang M16.SD and R19.NE Number of specific fragments= 3 total=843 Number of alignments=61 # Reading fragments from alignment file # T0180 read from T0180-1bx1A-vit-adpstyle5.pw.a2m.gz # 1bx1A read from T0180-1bx1A-vit-adpstyle5.pw.a2m.gz # found chain 1bx1A in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1bx1A 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGD Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.16857 Ang R31.CA and P33.CD neighbor-bump: 2.27456 Ang V32.N and P33.CD other bump:2.14147 Ang R31.O and P33.CD other bump:2.14217 Ang R31.C and P33.CD self-bump: 1.3958 Ang P33.N and P33.CD neighbor-bump: 2.54427 Ang R31.C and V32.CB other bump:2.21449 Ang I25.CD1 and S30.N other bump:3.0985 Ang I25.CG1 and K29.C other bump:2.62654 Ang I25.CD1 and K29.C other bump:2.81031 Ang I25.CD1 and K29.CD other bump:2.79283 Ang I25.CD1 and K29.CB neighbor-bump: 2.23584 Ang L28.O and K29.CB neighbor-bump: 2.61178 Ang L28.C and K29.CB other bump:2.7611 Ang I25.CG1 and K29.CA other bump:2.30903 Ang I25.CD1 and K29.CA other bump:2.27841 Ang D23.OD1 and I25.O other bump:2.70791 Ang D23.OD1 and I25.CG2 other bump:2.76724 Ang V16.CG1 and R19.NH1 other bump:3.19452 Ang R5.NE and V18.CG2 other bump:2.84092 Ang R5.CZ and V18.CG2 neighbor-bump: 1.59173 Ang D12.O and T13.OG1 neighbor-bump: 2.30081 Ang D12.C and T13.OG1 T0180 35 :NTSMSAYIRRIILN 1bx1A 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVVVR 1bx1A 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVGKE Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.05508 Ang V31.O and V32.CG2 neighbor-bump: 2.58451 Ang V31.C and V32.CG2 neighbor-bump: 2.15683 Ang V31.O and V32.CB neighbor-bump: 2.61624 Ang V31.C and V32.CB neighbor-bump: 2.87217 Ang K29.CB and P30.CA neighbor-bump: 2.34007 Ang K29.CG and P30.CA neighbor-bump: 2.40297 Ang K29.CG and P30.N neighbor-bump: 2.36352 Ang T28.C and K29.CB neighbor-bump: 1.86672 Ang T28.O and K29.CB other bump:2.74079 Ang R19.NE and L25.CD2 other bump:1.72482 Ang R19.CZ and L25.CD2 other bump:0.451951 Ang R19.NH1 and L25.CD2 other bump:2.52747 Ang R19.NH2 and L25.CD2 other bump:2.5546 Ang R19.NE and L25.CD1 other bump:2.69943 Ang R19.CD and L25.CD1 other bump:2.32374 Ang R19.CZ and L25.CD1 other bump:2.16311 Ang R19.NH1 and L25.CD1 other bump:2.55761 Ang R19.NH1 and L25.CB other bump:1.93907 Ang M16.SD and R19.NH2 other bump:1.9249 Ang M16.CE and R19.NH2 other bump:2.18253 Ang M16.SD and R19.CZ other bump:2.94332 Ang M16.CE and R19.CZ other bump:1.94051 Ang M16.SD and R19.NE Number of specific fragments= 3 total=846 Number of alignments=62 # command:# Prefix for input files set to 1frqA/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0180 read from T0180-1frqA-local-adpstyle1.pw.a2m.gz # 1frqA read from T0180-1frqA-local-adpstyle1.pw.a2m.gz # found chain 1frqA in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1frqA 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGDAK Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.16259 Ang K29.CD and G36.CA other bump:2.38085 Ang K29.CE and G36.CA other bump:2.68568 Ang K29.CE and G36.N other bump:2.93039 Ang R31.C and P33.CD self-bump: 2.16476 Ang P33.CA and P33.CD self-bump: 2.10093 Ang P33.CA and P33.CG neighbor-bump: 2.55571 Ang R31.C and V32.CB other bump:2.0451 Ang I25.CD1 and S30.N other bump:2.57885 Ang I25.CD1 and K29.C other bump:3.10792 Ang I25.CG1 and K29.C other bump:2.98546 Ang I25.CD1 and K29.CB neighbor-bump: 2.53039 Ang L28.C and K29.CB neighbor-bump: 2.12221 Ang L28.O and K29.CB other bump:2.42578 Ang I25.CD1 and K29.CA other bump:2.87467 Ang I25.CG1 and K29.CA other bump:2.20291 Ang D23.OD1 and I25.O other bump:2.6746 Ang V16.CG1 and R19.NH1 other bump:3.02213 Ang R5.NE and V18.CG2 other bump:2.65304 Ang R5.CZ and V18.CG2 other bump:2.71859 Ang R5.NH1 and V18.CG2 neighbor-bump: 1.65963 Ang D12.O and T13.OG1 neighbor-bump: 2.30429 Ang D12.C and T13.OG1 T0180 37 :SMSAYIRRIILN 1frqA 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1frqA 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.84924 Ang K29.CB and P30.CA neighbor-bump: 2.33082 Ang K29.CG and P30.CA neighbor-bump: 2.37669 Ang K29.CG and P30.N neighbor-bump: 1.88359 Ang T28.O and K29.CB neighbor-bump: 2.36905 Ang T28.C and K29.CB other bump:3.11247 Ang R19.CD and L25.CD2 other bump:2.52406 Ang R19.NE and L25.CD2 other bump:1.4889 Ang R19.CZ and L25.CD2 other bump:0.219436 Ang R19.NH1 and L25.CD2 other bump:2.3324 Ang R19.NH2 and L25.CD2 other bump:2.80071 Ang R19.CD and L25.CD1 other bump:2.66458 Ang R19.NE and L25.CD1 other bump:2.47768 Ang R19.CZ and L25.CD1 other bump:2.37513 Ang R19.NH1 and L25.CD1 other bump:2.59199 Ang R19.NH1 and L25.CB other bump:2.10195 Ang M16.SD and R19.NH2 other bump:2.04022 Ang M16.CE and R19.NH2 other bump:2.28675 Ang M16.SD and R19.CZ other bump:2.98989 Ang M16.CE and R19.CZ other bump:1.9548 Ang M16.SD and R19.NE Number of specific fragments= 3 total=849 Number of alignments=63 # Reading fragments from alignment file # T0180 read from T0180-1frqA-local-adpstyle5.pw.a2m.gz # 1frqA read from T0180-1frqA-local-adpstyle5.pw.a2m.gz # found chain 1frqA in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1frqA 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGD Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.25776 Ang V32.N and P33.CD other bump:3.14545 Ang R31.CA and P33.CD other bump:2.10899 Ang R31.O and P33.CD other bump:2.11682 Ang R31.C and P33.CD self-bump: 1.39467 Ang P33.N and P33.CD other bump:3.28616 Ang R31.C and P33.CG neighbor-bump: 2.55571 Ang R31.C and V32.CB other bump:2.0451 Ang I25.CD1 and S30.N other bump:3.10792 Ang I25.CG1 and K29.C other bump:2.57885 Ang I25.CD1 and K29.C other bump:2.98546 Ang I25.CD1 and K29.CB neighbor-bump: 2.12221 Ang L28.O and K29.CB neighbor-bump: 2.53039 Ang L28.C and K29.CB other bump:2.87467 Ang I25.CG1 and K29.CA other bump:2.42578 Ang I25.CD1 and K29.CA other bump:2.20291 Ang D23.OD1 and I25.O other bump:2.6746 Ang V16.CG1 and R19.NH1 other bump:3.02213 Ang R5.NE and V18.CG2 other bump:2.65304 Ang R5.CZ and V18.CG2 other bump:2.71859 Ang R5.NH1 and V18.CG2 neighbor-bump: 1.65963 Ang D12.O and T13.OG1 neighbor-bump: 2.30429 Ang D12.C and T13.OG1 T0180 35 :NTSMSAYIRRIILN 1frqA 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVVVR 1frqA 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVGKE Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 1.89649 Ang V31.O and V32.CG2 neighbor-bump: 2.51674 Ang V31.C and V32.CG2 neighbor-bump: 2.08003 Ang V31.O and V32.CB neighbor-bump: 2.58837 Ang V31.C and V32.CB neighbor-bump: 2.84924 Ang K29.CB and P30.CA neighbor-bump: 2.33082 Ang K29.CG and P30.CA neighbor-bump: 2.37669 Ang K29.CG and P30.N neighbor-bump: 2.36905 Ang T28.C and K29.CB neighbor-bump: 1.88359 Ang T28.O and K29.CB other bump:3.11247 Ang R19.CD and L25.CD2 other bump:2.52406 Ang R19.NE and L25.CD2 other bump:1.4889 Ang R19.CZ and L25.CD2 other bump:0.219436 Ang R19.NH1 and L25.CD2 other bump:2.3324 Ang R19.NH2 and L25.CD2 other bump:2.80071 Ang R19.CD and L25.CD1 other bump:2.66458 Ang R19.NE and L25.CD1 other bump:2.47768 Ang R19.CZ and L25.CD1 other bump:2.37513 Ang R19.NH1 and L25.CD1 other bump:2.59199 Ang R19.NH1 and L25.CB other bump:2.10195 Ang M16.SD and R19.NH2 other bump:2.04022 Ang M16.CE and R19.NH2 other bump:2.28675 Ang M16.SD and R19.CZ other bump:2.98989 Ang M16.CE and R19.CZ other bump:1.9548 Ang M16.SD and R19.NE Number of specific fragments= 3 total=852 Number of alignments=64 # Reading fragments from alignment file # T0180 read from T0180-1frqA-simpleSW-adpstyle1.pw.a2m.gz # 1frqA read from T0180-1frqA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1frqA in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1frqA 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGDAK Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.16259 Ang K29.CD and G36.CA other bump:2.38085 Ang K29.CE and G36.CA other bump:2.68568 Ang K29.CE and G36.N other bump:2.93039 Ang R31.C and P33.CD self-bump: 2.16476 Ang P33.CA and P33.CD self-bump: 2.10093 Ang P33.CA and P33.CG neighbor-bump: 2.55571 Ang R31.C and V32.CB other bump:2.0451 Ang I25.CD1 and S30.N other bump:2.57885 Ang I25.CD1 and K29.C other bump:3.10792 Ang I25.CG1 and K29.C other bump:2.98546 Ang I25.CD1 and K29.CB neighbor-bump: 2.53039 Ang L28.C and K29.CB neighbor-bump: 2.12221 Ang L28.O and K29.CB other bump:2.42578 Ang I25.CD1 and K29.CA other bump:2.87467 Ang I25.CG1 and K29.CA other bump:2.20291 Ang D23.OD1 and I25.O other bump:2.6746 Ang V16.CG1 and R19.NH1 other bump:3.02213 Ang R5.NE and V18.CG2 other bump:2.65304 Ang R5.CZ and V18.CG2 other bump:2.71859 Ang R5.NH1 and V18.CG2 neighbor-bump: 1.65963 Ang D12.O and T13.OG1 neighbor-bump: 2.30429 Ang D12.C and T13.OG1 T0180 37 :SMSAYIRRIILN 1frqA 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1frqA 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.84924 Ang K29.CB and P30.CA neighbor-bump: 2.33082 Ang K29.CG and P30.CA neighbor-bump: 2.37669 Ang K29.CG and P30.N neighbor-bump: 1.88359 Ang T28.O and K29.CB neighbor-bump: 2.36905 Ang T28.C and K29.CB other bump:3.11247 Ang R19.CD and L25.CD2 other bump:2.52406 Ang R19.NE and L25.CD2 other bump:1.4889 Ang R19.CZ and L25.CD2 other bump:0.219436 Ang R19.NH1 and L25.CD2 other bump:2.3324 Ang R19.NH2 and L25.CD2 other bump:2.80071 Ang R19.CD and L25.CD1 other bump:2.66458 Ang R19.NE and L25.CD1 other bump:2.47768 Ang R19.CZ and L25.CD1 other bump:2.37513 Ang R19.NH1 and L25.CD1 other bump:2.59199 Ang R19.NH1 and L25.CB other bump:2.10195 Ang M16.SD and R19.NH2 other bump:2.04022 Ang M16.CE and R19.NH2 other bump:2.28675 Ang M16.SD and R19.CZ other bump:2.98989 Ang M16.CE and R19.CZ other bump:1.9548 Ang M16.SD and R19.NE Number of specific fragments= 3 total=855 Number of alignments=65 # Reading fragments from alignment file # T0180 read from T0180-1frqA-simpleSW-adpstyle5.pw.a2m.gz # 1frqA read from T0180-1frqA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1frqA in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1frqA 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGD Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.25776 Ang V32.N and P33.CD other bump:3.14545 Ang R31.CA and P33.CD other bump:2.10899 Ang R31.O and P33.CD other bump:2.11682 Ang R31.C and P33.CD self-bump: 1.39467 Ang P33.N and P33.CD other bump:3.28616 Ang R31.C and P33.CG neighbor-bump: 2.55571 Ang R31.C and V32.CB other bump:2.0451 Ang I25.CD1 and S30.N other bump:3.10792 Ang I25.CG1 and K29.C other bump:2.57885 Ang I25.CD1 and K29.C other bump:2.98546 Ang I25.CD1 and K29.CB neighbor-bump: 2.12221 Ang L28.O and K29.CB neighbor-bump: 2.53039 Ang L28.C and K29.CB other bump:2.87467 Ang I25.CG1 and K29.CA other bump:2.42578 Ang I25.CD1 and K29.CA other bump:2.20291 Ang D23.OD1 and I25.O other bump:2.6746 Ang V16.CG1 and R19.NH1 other bump:3.02213 Ang R5.NE and V18.CG2 other bump:2.65304 Ang R5.CZ and V18.CG2 other bump:2.71859 Ang R5.NH1 and V18.CG2 neighbor-bump: 1.65963 Ang D12.O and T13.OG1 neighbor-bump: 2.30429 Ang D12.C and T13.OG1 T0180 35 :NTSMSAYIRRIILN 1frqA 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1frqA 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVG Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 1.89649 Ang V31.O and V32.CG2 neighbor-bump: 2.51674 Ang V31.C and V32.CG2 neighbor-bump: 2.08003 Ang V31.O and V32.CB neighbor-bump: 2.58837 Ang V31.C and V32.CB neighbor-bump: 2.84924 Ang K29.CB and P30.CA neighbor-bump: 2.33082 Ang K29.CG and P30.CA neighbor-bump: 2.37669 Ang K29.CG and P30.N neighbor-bump: 1.88359 Ang T28.O and K29.CB neighbor-bump: 2.36905 Ang T28.C and K29.CB other bump:1.4889 Ang R19.CZ and L25.CD2 other bump:0.219436 Ang R19.NH1 and L25.CD2 other bump:3.11247 Ang R19.CD and L25.CD2 other bump:2.52406 Ang R19.NE and L25.CD2 other bump:2.3324 Ang R19.NH2 and L25.CD2 other bump:2.47768 Ang R19.CZ and L25.CD1 other bump:2.37513 Ang R19.NH1 and L25.CD1 other bump:2.80071 Ang R19.CD and L25.CD1 other bump:2.66458 Ang R19.NE and L25.CD1 other bump:2.59199 Ang R19.NH1 and L25.CB other bump:2.04022 Ang M16.CE and R19.NH2 other bump:2.10195 Ang M16.SD and R19.NH2 other bump:2.98989 Ang M16.CE and R19.CZ other bump:2.28675 Ang M16.SD and R19.CZ other bump:1.9548 Ang M16.SD and R19.NE Number of specific fragments= 3 total=858 Number of alignments=66 # Reading fragments from alignment file # T0180 read from T0180-1frqA-vit-adpstyle1.pw.a2m.gz # 1frqA read from T0180-1frqA-vit-adpstyle1.pw.a2m.gz # found chain 1frqA in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1frqA 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGDAK Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.16259 Ang K29.CD and G36.CA other bump:2.38085 Ang K29.CE and G36.CA other bump:2.68568 Ang K29.CE and G36.N other bump:2.93039 Ang R31.C and P33.CD self-bump: 2.16476 Ang P33.CA and P33.CD self-bump: 2.10093 Ang P33.CA and P33.CG neighbor-bump: 2.55571 Ang R31.C and V32.CB other bump:2.0451 Ang I25.CD1 and S30.N other bump:2.57885 Ang I25.CD1 and K29.C other bump:3.10792 Ang I25.CG1 and K29.C other bump:2.98546 Ang I25.CD1 and K29.CB neighbor-bump: 2.53039 Ang L28.C and K29.CB neighbor-bump: 2.12221 Ang L28.O and K29.CB other bump:2.42578 Ang I25.CD1 and K29.CA other bump:2.87467 Ang I25.CG1 and K29.CA other bump:2.20291 Ang D23.OD1 and I25.O other bump:2.6746 Ang V16.CG1 and R19.NH1 other bump:3.02213 Ang R5.NE and V18.CG2 other bump:2.65304 Ang R5.CZ and V18.CG2 other bump:2.71859 Ang R5.NH1 and V18.CG2 neighbor-bump: 1.65963 Ang D12.O and T13.OG1 neighbor-bump: 2.30429 Ang D12.C and T13.OG1 T0180 37 :SMSAYIRRIILN 1frqA 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1frqA 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.84924 Ang K29.CB and P30.CA neighbor-bump: 2.33082 Ang K29.CG and P30.CA neighbor-bump: 2.37669 Ang K29.CG and P30.N neighbor-bump: 1.88359 Ang T28.O and K29.CB neighbor-bump: 2.36905 Ang T28.C and K29.CB other bump:3.11247 Ang R19.CD and L25.CD2 other bump:2.52406 Ang R19.NE and L25.CD2 other bump:1.4889 Ang R19.CZ and L25.CD2 other bump:0.219436 Ang R19.NH1 and L25.CD2 other bump:2.3324 Ang R19.NH2 and L25.CD2 other bump:2.80071 Ang R19.CD and L25.CD1 other bump:2.66458 Ang R19.NE and L25.CD1 other bump:2.47768 Ang R19.CZ and L25.CD1 other bump:2.37513 Ang R19.NH1 and L25.CD1 other bump:2.59199 Ang R19.NH1 and L25.CB other bump:2.10195 Ang M16.SD and R19.NH2 other bump:2.04022 Ang M16.CE and R19.NH2 other bump:2.28675 Ang M16.SD and R19.CZ other bump:2.98989 Ang M16.CE and R19.CZ other bump:1.9548 Ang M16.SD and R19.NE Number of specific fragments= 3 total=861 Number of alignments=67 # Reading fragments from alignment file # T0180 read from T0180-1frqA-vit-adpstyle5.pw.a2m.gz # 1frqA read from T0180-1frqA-vit-adpstyle5.pw.a2m.gz # found chain 1frqA in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1frqA 76 :VGVIPDGEDKNGKPHKLRLYSIASSALGDFGD Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.25776 Ang V32.N and P33.CD other bump:3.14545 Ang R31.CA and P33.CD other bump:2.10899 Ang R31.O and P33.CD other bump:2.11682 Ang R31.C and P33.CD self-bump: 1.39467 Ang P33.N and P33.CD other bump:3.28616 Ang R31.C and P33.CG neighbor-bump: 2.55571 Ang R31.C and V32.CB other bump:2.0451 Ang I25.CD1 and S30.N other bump:3.10792 Ang I25.CG1 and K29.C other bump:2.57885 Ang I25.CD1 and K29.C other bump:2.98546 Ang I25.CD1 and K29.CB neighbor-bump: 2.12221 Ang L28.O and K29.CB neighbor-bump: 2.53039 Ang L28.C and K29.CB other bump:2.87467 Ang I25.CG1 and K29.CA other bump:2.42578 Ang I25.CD1 and K29.CA other bump:2.20291 Ang D23.OD1 and I25.O other bump:2.6746 Ang V16.CG1 and R19.NH1 other bump:3.02213 Ang R5.NE and V18.CG2 other bump:2.65304 Ang R5.CZ and V18.CG2 other bump:2.71859 Ang R5.NH1 and V18.CG2 neighbor-bump: 1.65963 Ang D12.O and T13.OG1 neighbor-bump: 2.30429 Ang D12.C and T13.OG1 T0180 35 :NTSMSAYIRRIILN 1frqA 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVVVR 1frqA 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVGKE Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 1.89649 Ang V31.O and V32.CG2 neighbor-bump: 2.51674 Ang V31.C and V32.CG2 neighbor-bump: 2.08003 Ang V31.O and V32.CB neighbor-bump: 2.58837 Ang V31.C and V32.CB neighbor-bump: 2.84924 Ang K29.CB and P30.CA neighbor-bump: 2.33082 Ang K29.CG and P30.CA neighbor-bump: 2.37669 Ang K29.CG and P30.N neighbor-bump: 2.36905 Ang T28.C and K29.CB neighbor-bump: 1.88359 Ang T28.O and K29.CB other bump:3.11247 Ang R19.CD and L25.CD2 other bump:2.52406 Ang R19.NE and L25.CD2 other bump:1.4889 Ang R19.CZ and L25.CD2 other bump:0.219436 Ang R19.NH1 and L25.CD2 other bump:2.3324 Ang R19.NH2 and L25.CD2 other bump:2.80071 Ang R19.CD and L25.CD1 other bump:2.66458 Ang R19.NE and L25.CD1 other bump:2.47768 Ang R19.CZ and L25.CD1 other bump:2.37513 Ang R19.NH1 and L25.CD1 other bump:2.59199 Ang R19.NH1 and L25.CB other bump:2.10195 Ang M16.SD and R19.NH2 other bump:2.04022 Ang M16.CE and R19.NH2 other bump:2.28675 Ang M16.SD and R19.CZ other bump:2.98989 Ang M16.CE and R19.CZ other bump:1.9548 Ang M16.SD and R19.NE Number of specific fragments= 3 total=864 Number of alignments=68 # command:# Prefix for input files set to 1frn/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0180 read from T0180-1frn-local-adpstyle1.pw.a2m.gz # 1frn read from T0180-1frn-local-adpstyle1.pw.a2m.gz # found chain 1frn in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1frn 76 :VGVIPDGEDKNGKPHKLRLYVIASSALGDFGDAK Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.205 Ang K29.CD and G36.CA other bump:2.4017 Ang K29.CE and G36.CA other bump:2.77551 Ang R31.C and P33.CD self-bump: 2.23555 Ang P33.CA and P33.CD self-bump: 2.14605 Ang P33.CA and P33.CG neighbor-bump: 2.60444 Ang R31.C and V32.CB other bump:2.30651 Ang I25.CD1 and S30.N other bump:3.0923 Ang I25.CG1 and K29.C other bump:2.73088 Ang I25.CD1 and K29.C other bump:2.60412 Ang I25.CD1 and K29.CD other bump:2.69854 Ang I25.CD1 and K29.CB neighbor-bump: 2.61099 Ang L28.C and K29.CB neighbor-bump: 2.31159 Ang L28.O and K29.CB other bump:2.69679 Ang I25.CG1 and K29.CA other bump:2.31088 Ang I25.CD1 and K29.CA other bump:2.60867 Ang D23.OD1 and I25.CG2 other bump:2.7055 Ang V16.CG1 and R19.NH1 other bump:3.32833 Ang R5.NE and V18.CG2 other bump:2.97408 Ang R5.CZ and V18.CG2 neighbor-bump: 2.71034 Ang V16.CG1 and V17.O other bump:2.99822 Ang P6.CG and V16.CG1 other bump:3.14602 Ang P6.CD and V16.CG1 other bump:2.42386 Ang L10.N and K14.O neighbor-bump: 1.44106 Ang D12.O and T13.OG1 neighbor-bump: 2.18932 Ang D12.C and T13.OG1 neighbor-bump: 2.68979 Ang D12.C and T13.CB T0180 37 :SMSAYIRRIILN 1frn 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1frn 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.72547 Ang K29.CB and P30.CA neighbor-bump: 2.11324 Ang K29.CG and P30.CA neighbor-bump: 3.27171 Ang K29.CD and P30.CA neighbor-bump: 2.22703 Ang K29.CG and P30.N neighbor-bump: 1.85411 Ang T28.O and K29.CB neighbor-bump: 2.34529 Ang T28.C and K29.CB other bump:2.99217 Ang R19.CD and L25.CD2 other bump:2.47639 Ang R19.NE and L25.CD2 other bump:1.51667 Ang R19.CZ and L25.CD2 other bump:0.201127 Ang R19.NH1 and L25.CD2 other bump:2.44048 Ang R19.NH2 and L25.CD2 other bump:2.70833 Ang R19.CD and L25.CD1 other bump:2.61797 Ang R19.NE and L25.CD1 other bump:2.53837 Ang R19.CZ and L25.CD1 other bump:2.51906 Ang R19.NH1 and L25.CD1 other bump:2.6267 Ang R19.NH1 and L25.CB other bump:2.1191 Ang M16.SD and R19.NH2 other bump:1.95123 Ang M16.CE and R19.NH2 other bump:2.24847 Ang M16.SD and R19.CZ other bump:2.87605 Ang M16.CE and R19.CZ other bump:1.86349 Ang M16.SD and R19.NE other bump:3.24139 Ang M16.CE and R19.NE Number of specific fragments= 3 total=867 Number of alignments=69 # Reading fragments from alignment file # T0180 read from T0180-1frn-local-adpstyle5.pw.a2m.gz # 1frn read from T0180-1frn-local-adpstyle5.pw.a2m.gz # found chain 1frn in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1frn 76 :VGVIPDGEDKNGKPHKLRLYVIASSALGDFGD Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.15657 Ang V32.N and P33.CD other bump:3.08876 Ang R31.CA and P33.CD other bump:2.06321 Ang R31.O and P33.CD other bump:2.02723 Ang R31.C and P33.CD neighbor-bump: 2.47544 Ang V32.CA and P33.CD neighbor-bump: 2.06975 Ang V32.C and P33.CD other bump:3.1667 Ang R31.C and P33.CG neighbor-bump: 2.60444 Ang R31.C and V32.CB other bump:2.30651 Ang I25.CD1 and S30.N other bump:3.0923 Ang I25.CG1 and K29.C other bump:2.73088 Ang I25.CD1 and K29.C other bump:2.60412 Ang I25.CD1 and K29.CD other bump:2.69854 Ang I25.CD1 and K29.CB neighbor-bump: 2.31159 Ang L28.O and K29.CB neighbor-bump: 2.61099 Ang L28.C and K29.CB other bump:2.69679 Ang I25.CG1 and K29.CA other bump:2.31088 Ang I25.CD1 and K29.CA other bump:2.60867 Ang D23.OD1 and I25.CG2 other bump:2.7055 Ang V16.CG1 and R19.NH1 other bump:3.32833 Ang R5.NE and V18.CG2 other bump:2.97408 Ang R5.CZ and V18.CG2 neighbor-bump: 2.71034 Ang V16.CG1 and V17.O other bump:2.99822 Ang P6.CG and V16.CG1 other bump:3.14602 Ang P6.CD and V16.CG1 other bump:2.42386 Ang L10.N and K14.O neighbor-bump: 1.44106 Ang D12.O and T13.OG1 neighbor-bump: 2.18932 Ang D12.C and T13.OG1 neighbor-bump: 2.68979 Ang D12.C and T13.CB T0180 35 :NTSMSAYIRRIILN 1frn 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVVVR 1frn 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVGKE Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 1.76727 Ang V31.O and V32.CG2 neighbor-bump: 2.5181 Ang V31.C and V32.CG2 neighbor-bump: 1.97195 Ang V31.O and V32.CB neighbor-bump: 2.54838 Ang V31.C and V32.CB neighbor-bump: 2.72547 Ang K29.CB and P30.CA neighbor-bump: 2.11324 Ang K29.CG and P30.CA neighbor-bump: 3.27171 Ang K29.CD and P30.CA neighbor-bump: 2.22703 Ang K29.CG and P30.N neighbor-bump: 1.85411 Ang T28.O and K29.CB neighbor-bump: 2.34529 Ang T28.C and K29.CB other bump:2.99217 Ang R19.CD and L25.CD2 other bump:2.47639 Ang R19.NE and L25.CD2 other bump:1.51667 Ang R19.CZ and L25.CD2 other bump:0.201127 Ang R19.NH1 and L25.CD2 other bump:2.44048 Ang R19.NH2 and L25.CD2 other bump:2.70833 Ang R19.CD and L25.CD1 other bump:2.61797 Ang R19.NE and L25.CD1 other bump:2.53837 Ang R19.CZ and L25.CD1 other bump:2.51906 Ang R19.NH1 and L25.CD1 other bump:2.6267 Ang R19.NH1 and L25.CB other bump:2.1191 Ang M16.SD and R19.NH2 other bump:1.95123 Ang M16.CE and R19.NH2 other bump:2.24847 Ang M16.SD and R19.CZ other bump:2.87605 Ang M16.CE and R19.CZ other bump:1.86349 Ang M16.SD and R19.NE other bump:3.24139 Ang M16.CE and R19.NE Number of specific fragments= 3 total=870 Number of alignments=70 # Reading fragments from alignment file # T0180 read from T0180-1frn-simpleSW-adpstyle1.pw.a2m.gz # 1frn read from T0180-1frn-simpleSW-adpstyle1.pw.a2m.gz # found chain 1frn in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1frn 76 :VGVIPDGEDKNGKPHKLRLYVIASSALGDFGDAK Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.205 Ang K29.CD and G36.CA other bump:2.4017 Ang K29.CE and G36.CA other bump:2.77551 Ang R31.C and P33.CD self-bump: 2.23555 Ang P33.CA and P33.CD self-bump: 2.14605 Ang P33.CA and P33.CG neighbor-bump: 2.60444 Ang R31.C and V32.CB other bump:2.30651 Ang I25.CD1 and S30.N other bump:3.0923 Ang I25.CG1 and K29.C other bump:2.73088 Ang I25.CD1 and K29.C other bump:2.60412 Ang I25.CD1 and K29.CD other bump:2.69854 Ang I25.CD1 and K29.CB neighbor-bump: 2.61099 Ang L28.C and K29.CB neighbor-bump: 2.31159 Ang L28.O and K29.CB other bump:2.69679 Ang I25.CG1 and K29.CA other bump:2.31088 Ang I25.CD1 and K29.CA other bump:2.60867 Ang D23.OD1 and I25.CG2 other bump:2.7055 Ang V16.CG1 and R19.NH1 other bump:3.32833 Ang R5.NE and V18.CG2 other bump:2.97408 Ang R5.CZ and V18.CG2 neighbor-bump: 2.71034 Ang V16.CG1 and V17.O other bump:2.99822 Ang P6.CG and V16.CG1 other bump:3.14602 Ang P6.CD and V16.CG1 other bump:2.42386 Ang L10.N and K14.O neighbor-bump: 1.44106 Ang D12.O and T13.OG1 neighbor-bump: 2.18932 Ang D12.C and T13.OG1 neighbor-bump: 2.68979 Ang D12.C and T13.CB T0180 37 :SMSAYIRRIILN 1frn 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1frn 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.72547 Ang K29.CB and P30.CA neighbor-bump: 2.11324 Ang K29.CG and P30.CA neighbor-bump: 3.27171 Ang K29.CD and P30.CA neighbor-bump: 2.22703 Ang K29.CG and P30.N neighbor-bump: 1.85411 Ang T28.O and K29.CB neighbor-bump: 2.34529 Ang T28.C and K29.CB other bump:2.99217 Ang R19.CD and L25.CD2 other bump:2.47639 Ang R19.NE and L25.CD2 other bump:1.51667 Ang R19.CZ and L25.CD2 other bump:0.201127 Ang R19.NH1 and L25.CD2 other bump:2.44048 Ang R19.NH2 and L25.CD2 other bump:2.70833 Ang R19.CD and L25.CD1 other bump:2.61797 Ang R19.NE and L25.CD1 other bump:2.53837 Ang R19.CZ and L25.CD1 other bump:2.51906 Ang R19.NH1 and L25.CD1 other bump:2.6267 Ang R19.NH1 and L25.CB other bump:2.1191 Ang M16.SD and R19.NH2 other bump:1.95123 Ang M16.CE and R19.NH2 other bump:2.24847 Ang M16.SD and R19.CZ other bump:2.87605 Ang M16.CE and R19.CZ other bump:1.86349 Ang M16.SD and R19.NE other bump:3.24139 Ang M16.CE and R19.NE Number of specific fragments= 3 total=873 Number of alignments=71 # Reading fragments from alignment file # T0180 read from T0180-1frn-simpleSW-adpstyle5.pw.a2m.gz # 1frn read from T0180-1frn-simpleSW-adpstyle5.pw.a2m.gz # found chain 1frn in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1frn 76 :VGVIPDGEDKNGKPHKLRLYVIASSALGDFGD Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.15657 Ang V32.N and P33.CD other bump:3.08876 Ang R31.CA and P33.CD other bump:2.06321 Ang R31.O and P33.CD other bump:2.02723 Ang R31.C and P33.CD neighbor-bump: 2.47544 Ang V32.CA and P33.CD neighbor-bump: 2.06975 Ang V32.C and P33.CD other bump:3.1667 Ang R31.C and P33.CG neighbor-bump: 2.60444 Ang R31.C and V32.CB other bump:2.30651 Ang I25.CD1 and S30.N other bump:3.0923 Ang I25.CG1 and K29.C other bump:2.73088 Ang I25.CD1 and K29.C other bump:2.60412 Ang I25.CD1 and K29.CD other bump:2.69854 Ang I25.CD1 and K29.CB neighbor-bump: 2.31159 Ang L28.O and K29.CB neighbor-bump: 2.61099 Ang L28.C and K29.CB other bump:2.69679 Ang I25.CG1 and K29.CA other bump:2.31088 Ang I25.CD1 and K29.CA other bump:2.60867 Ang D23.OD1 and I25.CG2 other bump:2.7055 Ang V16.CG1 and R19.NH1 other bump:3.32833 Ang R5.NE and V18.CG2 other bump:2.97408 Ang R5.CZ and V18.CG2 neighbor-bump: 2.71034 Ang V16.CG1 and V17.O other bump:2.99822 Ang P6.CG and V16.CG1 other bump:3.14602 Ang P6.CD and V16.CG1 other bump:2.42386 Ang L10.N and K14.O neighbor-bump: 1.44106 Ang D12.O and T13.OG1 neighbor-bump: 2.18932 Ang D12.C and T13.OG1 neighbor-bump: 2.68979 Ang D12.C and T13.CB T0180 35 :NTSMSAYIRRIILN 1frn 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1frn 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVG Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 1.76727 Ang V31.O and V32.CG2 neighbor-bump: 2.5181 Ang V31.C and V32.CG2 neighbor-bump: 1.97195 Ang V31.O and V32.CB neighbor-bump: 2.54838 Ang V31.C and V32.CB neighbor-bump: 3.27171 Ang K29.CD and P30.CA neighbor-bump: 2.72547 Ang K29.CB and P30.CA neighbor-bump: 2.11324 Ang K29.CG and P30.CA neighbor-bump: 2.22703 Ang K29.CG and P30.N neighbor-bump: 1.85411 Ang T28.O and K29.CB neighbor-bump: 2.34529 Ang T28.C and K29.CB other bump:1.51667 Ang R19.CZ and L25.CD2 other bump:0.201127 Ang R19.NH1 and L25.CD2 other bump:2.99217 Ang R19.CD and L25.CD2 other bump:2.47639 Ang R19.NE and L25.CD2 other bump:2.44048 Ang R19.NH2 and L25.CD2 other bump:2.53837 Ang R19.CZ and L25.CD1 other bump:2.51906 Ang R19.NH1 and L25.CD1 other bump:2.70833 Ang R19.CD and L25.CD1 other bump:2.61797 Ang R19.NE and L25.CD1 other bump:2.6267 Ang R19.NH1 and L25.CB other bump:1.95123 Ang M16.CE and R19.NH2 other bump:2.1191 Ang M16.SD and R19.NH2 other bump:2.87605 Ang M16.CE and R19.CZ other bump:2.24847 Ang M16.SD and R19.CZ other bump:3.24139 Ang M16.CE and R19.NE other bump:1.86349 Ang M16.SD and R19.NE Number of specific fragments= 3 total=876 Number of alignments=72 # Reading fragments from alignment file # T0180 read from T0180-1frn-vit-adpstyle1.pw.a2m.gz # 1frn read from T0180-1frn-vit-adpstyle1.pw.a2m.gz # found chain 1frn in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1frn 76 :VGVIPDGEDKNGKPHKLRLYVIASSALGDFGDAK Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.205 Ang K29.CD and G36.CA other bump:2.4017 Ang K29.CE and G36.CA other bump:2.77551 Ang R31.C and P33.CD self-bump: 2.23555 Ang P33.CA and P33.CD self-bump: 2.14605 Ang P33.CA and P33.CG neighbor-bump: 2.60444 Ang R31.C and V32.CB other bump:2.30651 Ang I25.CD1 and S30.N other bump:3.0923 Ang I25.CG1 and K29.C other bump:2.73088 Ang I25.CD1 and K29.C other bump:2.60412 Ang I25.CD1 and K29.CD other bump:2.69854 Ang I25.CD1 and K29.CB neighbor-bump: 2.61099 Ang L28.C and K29.CB neighbor-bump: 2.31159 Ang L28.O and K29.CB other bump:2.69679 Ang I25.CG1 and K29.CA other bump:2.31088 Ang I25.CD1 and K29.CA other bump:2.60867 Ang D23.OD1 and I25.CG2 other bump:2.7055 Ang V16.CG1 and R19.NH1 other bump:3.32833 Ang R5.NE and V18.CG2 other bump:2.97408 Ang R5.CZ and V18.CG2 neighbor-bump: 2.71034 Ang V16.CG1 and V17.O other bump:2.99822 Ang P6.CG and V16.CG1 other bump:3.14602 Ang P6.CD and V16.CG1 other bump:2.42386 Ang L10.N and K14.O neighbor-bump: 1.44106 Ang D12.O and T13.OG1 neighbor-bump: 2.18932 Ang D12.C and T13.OG1 neighbor-bump: 2.68979 Ang D12.C and T13.CB T0180 37 :SMSAYIRRIILN 1frn 110 :SVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1frn 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPV Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.72547 Ang K29.CB and P30.CA neighbor-bump: 2.11324 Ang K29.CG and P30.CA neighbor-bump: 3.27171 Ang K29.CD and P30.CA neighbor-bump: 2.22703 Ang K29.CG and P30.N neighbor-bump: 1.85411 Ang T28.O and K29.CB neighbor-bump: 2.34529 Ang T28.C and K29.CB other bump:2.99217 Ang R19.CD and L25.CD2 other bump:2.47639 Ang R19.NE and L25.CD2 other bump:1.51667 Ang R19.CZ and L25.CD2 other bump:0.201127 Ang R19.NH1 and L25.CD2 other bump:2.44048 Ang R19.NH2 and L25.CD2 other bump:2.70833 Ang R19.CD and L25.CD1 other bump:2.61797 Ang R19.NE and L25.CD1 other bump:2.53837 Ang R19.CZ and L25.CD1 other bump:2.51906 Ang R19.NH1 and L25.CD1 other bump:2.6267 Ang R19.NH1 and L25.CB other bump:2.1191 Ang M16.SD and R19.NH2 other bump:1.95123 Ang M16.CE and R19.NH2 other bump:2.24847 Ang M16.SD and R19.CZ other bump:2.87605 Ang M16.CE and R19.CZ other bump:1.86349 Ang M16.SD and R19.NE other bump:3.24139 Ang M16.CE and R19.NE Number of specific fragments= 3 total=879 Number of alignments=73 # Reading fragments from alignment file # T0180 read from T0180-1frn-vit-adpstyle5.pw.a2m.gz # 1frn read from T0180-1frn-vit-adpstyle5.pw.a2m.gz # found chain 1frn in template set T0180 2 :VGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1frn 76 :VGVIPDGEDKNGKPHKLRLYVIASSALGDFGD Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.15657 Ang V32.N and P33.CD other bump:3.08876 Ang R31.CA and P33.CD other bump:2.06321 Ang R31.O and P33.CD other bump:2.02723 Ang R31.C and P33.CD neighbor-bump: 2.47544 Ang V32.CA and P33.CD neighbor-bump: 2.06975 Ang V32.C and P33.CD other bump:3.1667 Ang R31.C and P33.CG neighbor-bump: 2.60444 Ang R31.C and V32.CB other bump:2.30651 Ang I25.CD1 and S30.N other bump:3.0923 Ang I25.CG1 and K29.C other bump:2.73088 Ang I25.CD1 and K29.C other bump:2.60412 Ang I25.CD1 and K29.CD other bump:2.69854 Ang I25.CD1 and K29.CB neighbor-bump: 2.31159 Ang L28.O and K29.CB neighbor-bump: 2.61099 Ang L28.C and K29.CB other bump:2.69679 Ang I25.CG1 and K29.CA other bump:2.31088 Ang I25.CD1 and K29.CA other bump:2.60867 Ang D23.OD1 and I25.CG2 other bump:2.7055 Ang V16.CG1 and R19.NH1 other bump:3.32833 Ang R5.NE and V18.CG2 other bump:2.97408 Ang R5.CZ and V18.CG2 neighbor-bump: 2.71034 Ang V16.CG1 and V17.O other bump:2.99822 Ang P6.CG and V16.CG1 other bump:3.14602 Ang P6.CD and V16.CG1 other bump:2.42386 Ang L10.N and K14.O neighbor-bump: 1.44106 Ang D12.O and T13.OG1 neighbor-bump: 2.18932 Ang D12.C and T13.OG1 neighbor-bump: 2.68979 Ang D12.C and T13.CB T0180 35 :NTSMSAYIRRIILN 1frn 108 :AKSVSLCVKRLIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGLKDTKPVVVR 1frn 122 :NDAGETIKGVCSNFLCDLKPGAEVKLTGPVGKE Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 1.76727 Ang V31.O and V32.CG2 neighbor-bump: 2.5181 Ang V31.C and V32.CG2 neighbor-bump: 1.97195 Ang V31.O and V32.CB neighbor-bump: 2.54838 Ang V31.C and V32.CB neighbor-bump: 2.72547 Ang K29.CB and P30.CA neighbor-bump: 2.11324 Ang K29.CG and P30.CA neighbor-bump: 3.27171 Ang K29.CD and P30.CA neighbor-bump: 2.22703 Ang K29.CG and P30.N neighbor-bump: 1.85411 Ang T28.O and K29.CB neighbor-bump: 2.34529 Ang T28.C and K29.CB other bump:2.99217 Ang R19.CD and L25.CD2 other bump:2.47639 Ang R19.NE and L25.CD2 other bump:1.51667 Ang R19.CZ and L25.CD2 other bump:0.201127 Ang R19.NH1 and L25.CD2 other bump:2.44048 Ang R19.NH2 and L25.CD2 other bump:2.70833 Ang R19.CD and L25.CD1 other bump:2.61797 Ang R19.NE and L25.CD1 other bump:2.53837 Ang R19.CZ and L25.CD1 other bump:2.51906 Ang R19.NH1 and L25.CD1 other bump:2.6267 Ang R19.NH1 and L25.CB other bump:2.1191 Ang M16.SD and R19.NH2 other bump:1.95123 Ang M16.CE and R19.NH2 other bump:2.24847 Ang M16.SD and R19.CZ other bump:2.87605 Ang M16.CE and R19.CZ other bump:1.86349 Ang M16.SD and R19.NE other bump:3.24139 Ang M16.CE and R19.NE Number of specific fragments= 3 total=882 Number of alignments=74 # command:# Prefix for input files set to 1d2zA/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0180 read from 1d2zA-T0180-fssp-global-adpstyle1.pw.a2m.gz # 1d2zA read from 1d2zA-T0180-fssp-global-adpstyle1.pw.a2m.gz # found chain 1d2zA in template set T0180 13 :TKPVVVRLYPD 1d2zA 29 :DNTMAIRLLPL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.99917 Ang V7.CA and Y10.CE1 other bump:2.97622 Ang V7.CA and Y10.CD1 other bump:3.02994 Ang V6.CG2 and L9.CG other bump:3.05111 Ang V6.CG2 and R8.CG other bump:3.27026 Ang T2.CA and P4.CD other bump:2.82453 Ang T2.CG2 and P4.CD other bump:2.76335 Ang T2.C and P4.CD neighbor-bump: 2.32295 Ang K3.N and P4.CD T0180 24 :EIEALKSRVPANTSMSAYIRRI 1d2zA 41 :VRAQLCAHLDALDVWQQLATAV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:3.01102 Ang S15.CB and Y19.CE1 other bump:2.59139 Ang S15.O and Y19.CD1 other bump:1.89716 Ang R9.CZ and N13.ND2 other bump:1.30203 Ang R9.NH1 and N13.ND2 other bump:2.0603 Ang R9.NH2 and N13.ND2 other bump:2.54974 Ang K7.C and P11.CD other bump:1.38213 Ang K7.O and P11.CD other bump:3.142 Ang S8.C and P11.CD other bump:2.85357 Ang K7.C and P11.CG other bump:1.72847 Ang K7.O and P11.CG T0180 84 :RLYPDEIEALKSR 1d2zA 63 :KLYPDQVEQISSQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.52644 Ang L3.CD2 and E7.OE1 T0180 97 :VPANTSMSAYIR 1d2zA 81 :SASNEFLNIWGG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30887 Ang S9.O and R13.CB T0180 109 :RIILNHLEDD 1d2zA 99 :QTLFALFKKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 5 total=887 Number of alignments=75 # Reading fragments from alignment file # T0180 read from 1d2zA-T0180-fssp-global-adpstyle5.pw.a2m.gz # 1d2zA read from 1d2zA-T0180-fssp-global-adpstyle5.pw.a2m.gz # found chain 1d2zA in template set T0180 13 :TKPVVVRLYPD 1d2zA 29 :DNTMAIRLLPL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.99917 Ang V7.CA and Y10.CE1 other bump:2.97622 Ang V7.CA and Y10.CD1 other bump:3.02994 Ang V6.CG2 and L9.CG other bump:3.05111 Ang V6.CG2 and R8.CG other bump:3.27026 Ang T2.CA and P4.CD other bump:2.82453 Ang T2.CG2 and P4.CD other bump:2.76335 Ang T2.C and P4.CD neighbor-bump: 2.32295 Ang K3.N and P4.CD T0180 24 :EIEALKSRVPANTSMSAYIRRI 1d2zA 41 :VRAQLCAHLDALDVWQQLATAV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:3.01102 Ang S15.CB and Y19.CE1 other bump:2.59139 Ang S15.O and Y19.CD1 other bump:1.89716 Ang R9.CZ and N13.ND2 other bump:1.30203 Ang R9.NH1 and N13.ND2 other bump:2.0603 Ang R9.NH2 and N13.ND2 other bump:2.54974 Ang K7.C and P11.CD other bump:1.38213 Ang K7.O and P11.CD other bump:3.142 Ang S8.C and P11.CD other bump:2.85357 Ang K7.C and P11.CG other bump:1.72847 Ang K7.O and P11.CG T0180 84 :RLYPDEIEALKSR 1d2zA 63 :KLYPDQVEQISSQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.52644 Ang L3.CD2 and E7.OE1 T0180 97 :VPANTSMSAYI 1d2zA 81 :SASNEFLNIWG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0180 108 :RRIILNHLEDD 1d2zA 110 :LHNAMRLIKDY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.39771 Ang I4.O and H8.CD2 Number of specific fragments= 5 total=892 Number of alignments=76 # Reading fragments from alignment file # T0180 read from 1d2zA-T0180-local-adpstyle1.pw.a2m.gz # 1d2zA read from 1d2zA-T0180-local-adpstyle1.pw.a2m.gz # found chain 1d2zA in template set T0180 18 :VRLYPDEIEALKSRVPANTSMS 1d2zA 62 :VKLYPDQVEQISSQKQRGRSAS Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.63278 Ang R15.C and M22.CE other bump:1.86385 Ang V16.N and M22.CE other bump:2.33088 Ang V16.CA and M22.CE other bump:2.61811 Ang V16.CB and M22.CE other bump:2.05864 Ang V16.CG2 and M22.CE other bump:2.07995 Ang L12.O and M22.SD other bump:2.72964 Ang V16.N and M22.SD other bump:2.809 Ang V16.CA and M22.SD other bump:2.06135 Ang V16.CB and M22.SD other bump:1.13241 Ang V16.CG2 and M22.SD other bump:2.45804 Ang V16.CB and M22.CG other bump:2.97937 Ang V16.CG1 and M22.CG other bump:1.07333 Ang V16.CG2 and M22.CG other bump:2.49328 Ang V16.CG2 and M22.CB other bump:3.15242 Ang V16.CG2 and M22.CA other bump:2.97236 Ang R15.CA and T20.OG1 other bump:1.91757 Ang R15.O and T20.OG1 other bump:2.3613 Ang R15.C and T20.OG1 other bump:2.84867 Ang R15.CZ and T20.CG2 other bump:1.94336 Ang R15.NH2 and T20.CG2 other bump:3.07274 Ang R15.NH2 and T20.CB other bump:2.52644 Ang L4.CD2 and E8.OE1 Number of specific fragments= 1 total=893 Number of alignments=77 # Reading fragments from alignment file # T0180 read from 1d2zA-T0180-local-adpstyle5.pw.a2m.gz # 1d2zA read from 1d2zA-T0180-local-adpstyle5.pw.a2m.gz # found chain 1d2zA in template set T0180 17 :VVRLYPDEIEALKSRVPANTSMSA 1d2zA 61 :AVKLYPDQVEQISSQKQRGRSASN Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:3.16438 Ang L13.CD2 and G26.CA other bump:2.63278 Ang R16.C and M23.CE other bump:1.86385 Ang V17.N and M23.CE other bump:2.33088 Ang V17.CA and M23.CE other bump:2.61811 Ang V17.CB and M23.CE other bump:2.05864 Ang V17.CG2 and M23.CE other bump:2.07995 Ang L13.O and M23.SD other bump:2.72964 Ang V17.N and M23.SD other bump:2.809 Ang V17.CA and M23.SD other bump:2.06135 Ang V17.CB and M23.SD other bump:1.13241 Ang V17.CG2 and M23.SD other bump:2.45804 Ang V17.CB and M23.CG other bump:2.97937 Ang V17.CG1 and M23.CG other bump:1.07333 Ang V17.CG2 and M23.CG other bump:2.49328 Ang V17.CG2 and M23.CB other bump:3.15242 Ang V17.CG2 and M23.CA other bump:2.97236 Ang R16.CA and T21.OG1 other bump:1.91757 Ang R16.O and T21.OG1 other bump:2.3613 Ang R16.C and T21.OG1 other bump:2.84867 Ang R16.CZ and T21.CG2 other bump:1.94336 Ang R16.NH2 and T21.CG2 other bump:3.07274 Ang R16.NH2 and T21.CB other bump:2.52644 Ang L5.CD2 and E9.OE1 Number of specific fragments= 1 total=894 Number of alignments=78 # Reading fragments from alignment file # T0180 read from 1d2zA-T0180-vit-adpstyle1.pw.a2m.gz # 1d2zA read from 1d2zA-T0180-vit-adpstyle1.pw.a2m.gz # found chain 1d2zA in template set T0180 18 :VRLYPDEIEALKSRVPANTSMS 1d2zA 62 :VKLYPDQVEQISSQKQRGRSAS Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.63278 Ang R15.C and M22.CE other bump:1.86385 Ang V16.N and M22.CE other bump:2.33088 Ang V16.CA and M22.CE other bump:2.61811 Ang V16.CB and M22.CE other bump:2.05864 Ang V16.CG2 and M22.CE other bump:2.07995 Ang L12.O and M22.SD other bump:2.72964 Ang V16.N and M22.SD other bump:2.809 Ang V16.CA and M22.SD other bump:2.06135 Ang V16.CB and M22.SD other bump:1.13241 Ang V16.CG2 and M22.SD other bump:2.45804 Ang V16.CB and M22.CG other bump:2.97937 Ang V16.CG1 and M22.CG other bump:1.07333 Ang V16.CG2 and M22.CG other bump:2.49328 Ang V16.CG2 and M22.CB other bump:3.15242 Ang V16.CG2 and M22.CA other bump:2.97236 Ang R15.CA and T20.OG1 other bump:1.91757 Ang R15.O and T20.OG1 other bump:2.3613 Ang R15.C and T20.OG1 other bump:2.84867 Ang R15.CZ and T20.CG2 other bump:1.94336 Ang R15.NH2 and T20.CG2 other bump:3.07274 Ang R15.NH2 and T20.CB other bump:2.52644 Ang L4.CD2 and E8.OE1 Number of specific fragments= 1 total=895 Number of alignments=79 # Reading fragments from alignment file # T0180 read from 1d2zA-T0180-vit-adpstyle5.pw.a2m.gz # 1d2zA read from 1d2zA-T0180-vit-adpstyle5.pw.a2m.gz # found chain 1d2zA in template set T0180 17 :VVRLYPDEIEALKSRVPANTSMSA 1d2zA 61 :AVKLYPDQVEQISSQKQRGRSASN Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:3.16438 Ang L13.CD2 and G26.CA other bump:2.63278 Ang R16.C and M23.CE other bump:1.86385 Ang V17.N and M23.CE other bump:2.33088 Ang V17.CA and M23.CE other bump:2.61811 Ang V17.CB and M23.CE other bump:2.05864 Ang V17.CG2 and M23.CE other bump:2.07995 Ang L13.O and M23.SD other bump:2.72964 Ang V17.N and M23.SD other bump:2.809 Ang V17.CA and M23.SD other bump:2.06135 Ang V17.CB and M23.SD other bump:1.13241 Ang V17.CG2 and M23.SD other bump:2.45804 Ang V17.CB and M23.CG other bump:2.97937 Ang V17.CG1 and M23.CG other bump:1.07333 Ang V17.CG2 and M23.CG other bump:2.49328 Ang V17.CG2 and M23.CB other bump:3.15242 Ang V17.CG2 and M23.CA other bump:2.97236 Ang R16.CA and T21.OG1 other bump:1.91757 Ang R16.O and T21.OG1 other bump:2.3613 Ang R16.C and T21.OG1 other bump:2.84867 Ang R16.CZ and T21.CG2 other bump:1.94336 Ang R16.NH2 and T21.CG2 other bump:3.07274 Ang R16.NH2 and T21.CB other bump:2.52644 Ang L5.CD2 and E9.OE1 Number of specific fragments= 1 total=896 Number of alignments=80 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1d2zA read from T0180-1d2zA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1d2zA in template set T0180 13 :TKPVVVRLYPDEIEALKSRVPANTSMSAYIRRII 1d2zA 29 :DNTMAIRLLPLPVRAQLCAHLDALDVWQQLATAV Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:1.48073 Ang K18.O and P22.CD other bump:2.70202 Ang K18.C and P22.CD other bump:2.11296 Ang K18.O and P22.CG other bump:3.14129 Ang K18.C and P22.CG other bump:2.52455 Ang L17.CD2 and R20.NH2 other bump:2.99917 Ang V7.CA and Y10.CE1 other bump:2.97622 Ang V7.CA and Y10.CD1 other bump:3.02994 Ang V6.CG2 and L9.CG other bump:3.05111 Ang V6.CG2 and R8.CG other bump:3.27026 Ang T2.CA and P4.CD other bump:2.82453 Ang T2.CG2 and P4.CD other bump:2.76335 Ang T2.C and P4.CD neighbor-bump: 2.32295 Ang K3.N and P4.CD T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHLEDD 1d2zA 63 :KLYPDQVEQISSQKQRGRSASNEFLNIWGGQYNHT Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.50004 Ang R27.O and N31.CB other bump:2.62756 Ang L3.CD2 and I29.CD1 other bump:2.76327 Ang Y24.CE2 and I28.CD1 other bump:3.30128 Ang E7.CD and I28.CG2 other bump:2.54443 Ang L11.CD1 and I25.CG1 other bump:2.7255 Ang L11.CD2 and I25.N other bump:2.71472 Ang L11.CD2 and Y24.C other bump:2.56891 Ang A10.CB and Y24.OH other bump:2.95815 Ang A10.CB and Y24.CE2 other bump:3.00865 Ang A10.C and Y24.CE2 other bump:3.0777 Ang L11.N and Y24.CE2 other bump:3.0524 Ang L11.CA and Y24.CD2 other bump:2.79584 Ang L11.CG and Y24.CD2 other bump:2.11267 Ang L11.CD2 and Y24.CD2 other bump:2.61138 Ang L11.CD2 and Y24.CG other bump:2.48201 Ang L11.CD2 and Y24.CB other bump:3.16438 Ang L11.CD2 and Y24.CA other bump:2.63278 Ang R14.C and M21.CE other bump:1.86385 Ang V15.N and M21.CE other bump:2.33088 Ang V15.CA and M21.CE other bump:2.61811 Ang V15.CB and M21.CE other bump:2.05864 Ang V15.CG2 and M21.CE other bump:2.07995 Ang L11.O and M21.SD other bump:2.72964 Ang V15.N and M21.SD other bump:2.809 Ang V15.CA and M21.SD other bump:2.06135 Ang V15.CB and M21.SD other bump:1.13241 Ang V15.CG2 and M21.SD other bump:2.45804 Ang V15.CB and M21.CG other bump:2.97937 Ang V15.CG1 and M21.CG other bump:1.07333 Ang V15.CG2 and M21.CG other bump:2.49328 Ang V15.CG2 and M21.CB other bump:3.15242 Ang V15.CG2 and M21.CA other bump:2.97236 Ang R14.CA and T19.OG1 other bump:1.91757 Ang R14.O and T19.OG1 other bump:2.3613 Ang R14.C and T19.OG1 other bump:2.84867 Ang R14.CZ and T19.CG2 other bump:1.94336 Ang R14.NH2 and T19.CG2 other bump:3.07274 Ang R14.NH2 and T19.CB other bump:2.52644 Ang L3.CD2 and E7.OE1 Number of specific fragments= 2 total=898 Number of alignments=81 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1d2zA read from T0180-1d2zA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1d2zA in template set T0180 11 :KDT 1d2zA 29 :DNT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0180 16 :VVVRLYPDEIEA 1d2zA 32 :MAIRLLPLPVRA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.99917 Ang V4.CA and Y7.CE1 other bump:2.97622 Ang V4.CA and Y7.CD1 other bump:3.02994 Ang V3.CG2 and L6.CG other bump:3.05111 Ang V3.CG2 and R5.CG T0180 37 :SMSAYIRRIILNHLE 1d2zA 44 :QLCAHLDALDVWQQL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:1.91359 Ang I10.CG2 and L12.CD1 other bump:2.38945 Ang I10.CG2 and L12.CG other bump:2.57641 Ang Y6.CE1 and I10.CD1 other bump:2.70001 Ang Y6.CZ and I10.CD1 T0180 80 :PVVVRLYPDEIEALKSRVPANTSMSAYIRRIILNHLED 1d2zA 59 :ATAVKLYPDQVEQISSQKQRGRSASNEFLNIWGGQYNH Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.50004 Ang R31.O and N35.CB other bump:2.62756 Ang L7.CD2 and I33.CD1 other bump:2.76327 Ang Y28.CE2 and I32.CD1 other bump:3.30128 Ang E11.CD and I32.CG2 other bump:2.54443 Ang L15.CD1 and I29.CG1 other bump:2.7255 Ang L15.CD2 and I29.N other bump:2.71472 Ang L15.CD2 and Y28.C other bump:2.56891 Ang A14.CB and Y28.OH other bump:2.95815 Ang A14.CB and Y28.CE2 other bump:3.00865 Ang A14.C and Y28.CE2 other bump:3.0777 Ang L15.N and Y28.CE2 other bump:3.0524 Ang L15.CA and Y28.CD2 other bump:2.79584 Ang L15.CG and Y28.CD2 other bump:2.11267 Ang L15.CD2 and Y28.CD2 other bump:2.61138 Ang L15.CD2 and Y28.CG other bump:2.48201 Ang L15.CD2 and Y28.CB other bump:3.16438 Ang L15.CD2 and Y28.CA other bump:2.63278 Ang R18.C and M25.CE other bump:1.86385 Ang V19.N and M25.CE other bump:2.33088 Ang V19.CA and M25.CE other bump:2.61811 Ang V19.CB and M25.CE other bump:2.05864 Ang V19.CG2 and M25.CE other bump:2.07995 Ang L15.O and M25.SD other bump:2.72964 Ang V19.N and M25.SD other bump:2.809 Ang V19.CA and M25.SD other bump:2.06135 Ang V19.CB and M25.SD other bump:1.13241 Ang V19.CG2 and M25.SD other bump:2.45804 Ang V19.CB and M25.CG other bump:2.97937 Ang V19.CG1 and M25.CG other bump:1.07333 Ang V19.CG2 and M25.CG other bump:2.49328 Ang V19.CG2 and M25.CB other bump:3.15242 Ang V19.CG2 and M25.CA other bump:2.97236 Ang R18.CA and T23.OG1 other bump:1.91757 Ang R18.O and T23.OG1 other bump:2.3613 Ang R18.C and T23.OG1 other bump:2.84867 Ang R18.CZ and T23.CG2 other bump:1.94336 Ang R18.NH2 and T23.CG2 other bump:3.07274 Ang R18.NH2 and T23.CB other bump:2.52644 Ang L7.CD2 and E11.OE1 Number of specific fragments= 4 total=902 Number of alignments=82 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1d2zA read from T0180-1d2zA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1d2zA in template set T0180 85 :LYPDEIEALKSRVPANTSMSAYIRRII 1d2zA 64 :LYPDQVEQISSQKQRGRSASNEFLNIW Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.62756 Ang L2.CD2 and I28.CD1 other bump:2.76327 Ang Y23.CE2 and I27.CD1 other bump:3.30128 Ang E6.CD and I27.CG2 other bump:2.54443 Ang L10.CD1 and I24.CG1 other bump:2.7255 Ang L10.CD2 and I24.N other bump:2.71472 Ang L10.CD2 and Y23.C other bump:2.56891 Ang A9.CB and Y23.OH other bump:2.95815 Ang A9.CB and Y23.CE2 other bump:3.00865 Ang A9.C and Y23.CE2 other bump:3.0777 Ang L10.N and Y23.CE2 other bump:3.0524 Ang L10.CA and Y23.CD2 other bump:2.79584 Ang L10.CG and Y23.CD2 other bump:2.11267 Ang L10.CD2 and Y23.CD2 other bump:2.61138 Ang L10.CD2 and Y23.CG other bump:2.48201 Ang L10.CD2 and Y23.CB other bump:3.16438 Ang L10.CD2 and Y23.CA other bump:2.63278 Ang R13.C and M20.CE other bump:1.86385 Ang V14.N and M20.CE other bump:2.33088 Ang V14.CA and M20.CE other bump:2.61811 Ang V14.CB and M20.CE other bump:2.05864 Ang V14.CG2 and M20.CE other bump:2.07995 Ang L10.O and M20.SD other bump:2.72964 Ang V14.N and M20.SD other bump:2.809 Ang V14.CA and M20.SD other bump:2.06135 Ang V14.CB and M20.SD other bump:1.13241 Ang V14.CG2 and M20.SD other bump:2.45804 Ang V14.CB and M20.CG other bump:2.97937 Ang V14.CG1 and M20.CG other bump:1.07333 Ang V14.CG2 and M20.CG other bump:2.49328 Ang V14.CG2 and M20.CB other bump:3.15242 Ang V14.CG2 and M20.CA other bump:2.97236 Ang R13.CA and T18.OG1 other bump:1.91757 Ang R13.O and T18.OG1 other bump:2.3613 Ang R13.C and T18.OG1 other bump:2.84867 Ang R13.CZ and T18.CG2 other bump:1.94336 Ang R13.NH2 and T18.CG2 other bump:3.07274 Ang R13.NH2 and T18.CB other bump:2.52644 Ang L2.CD2 and E6.OE1 Number of specific fragments= 1 total=903 Number of alignments=83 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1d2zA read from T0180-1d2zA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1d2zA in template set T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRII 1d2zA 63 :KLYPDQVEQISSQKQRGRSASNEFLNIW Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.62756 Ang L3.CD2 and I29.CD1 other bump:2.76327 Ang Y24.CE2 and I28.CD1 other bump:3.30128 Ang E7.CD and I28.CG2 other bump:2.54443 Ang L11.CD1 and I25.CG1 other bump:2.7255 Ang L11.CD2 and I25.N other bump:2.71472 Ang L11.CD2 and Y24.C other bump:2.56891 Ang A10.CB and Y24.OH other bump:2.95815 Ang A10.CB and Y24.CE2 other bump:3.00865 Ang A10.C and Y24.CE2 other bump:3.0777 Ang L11.N and Y24.CE2 other bump:3.0524 Ang L11.CA and Y24.CD2 other bump:2.79584 Ang L11.CG and Y24.CD2 other bump:2.11267 Ang L11.CD2 and Y24.CD2 other bump:2.61138 Ang L11.CD2 and Y24.CG other bump:2.48201 Ang L11.CD2 and Y24.CB other bump:3.16438 Ang L11.CD2 and Y24.CA other bump:2.63278 Ang R14.C and M21.CE other bump:1.86385 Ang V15.N and M21.CE other bump:2.33088 Ang V15.CA and M21.CE other bump:2.61811 Ang V15.CB and M21.CE other bump:2.05864 Ang V15.CG2 and M21.CE other bump:2.07995 Ang L11.O and M21.SD other bump:2.72964 Ang V15.N and M21.SD other bump:2.809 Ang V15.CA and M21.SD other bump:2.06135 Ang V15.CB and M21.SD other bump:1.13241 Ang V15.CG2 and M21.SD other bump:2.45804 Ang V15.CB and M21.CG other bump:2.97937 Ang V15.CG1 and M21.CG other bump:1.07333 Ang V15.CG2 and M21.CG other bump:2.49328 Ang V15.CG2 and M21.CB other bump:3.15242 Ang V15.CG2 and M21.CA other bump:2.97236 Ang R14.CA and T19.OG1 other bump:1.91757 Ang R14.O and T19.OG1 other bump:2.3613 Ang R14.C and T19.OG1 other bump:2.84867 Ang R14.CZ and T19.CG2 other bump:1.94336 Ang R14.NH2 and T19.CG2 other bump:3.07274 Ang R14.NH2 and T19.CB other bump:2.52644 Ang L3.CD2 and E7.OE1 Number of specific fragments= 1 total=904 Number of alignments=84 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1d2zA read from T0180-1d2zA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1d2zA in template set T0180 13 :TKPVVVRLYPDEIEALKSRVPANTSMSAYIRRII 1d2zA 29 :DNTMAIRLLPLPVRAQLCAHLDALDVWQQLATAV Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:1.48073 Ang K18.O and P22.CD other bump:2.70202 Ang K18.C and P22.CD other bump:2.11296 Ang K18.O and P22.CG other bump:3.14129 Ang K18.C and P22.CG other bump:2.52455 Ang L17.CD2 and R20.NH2 other bump:2.99917 Ang V7.CA and Y10.CE1 other bump:2.97622 Ang V7.CA and Y10.CD1 other bump:3.02994 Ang V6.CG2 and L9.CG other bump:3.05111 Ang V6.CG2 and R8.CG other bump:3.27026 Ang T2.CA and P4.CD other bump:2.82453 Ang T2.CG2 and P4.CD other bump:2.76335 Ang T2.C and P4.CD neighbor-bump: 2.32295 Ang K3.N and P4.CD T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHLEDD 1d2zA 63 :KLYPDQVEQISSQKQRGRSASNEFLNIWGGQYNHT Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.50004 Ang R27.O and N31.CB other bump:2.62756 Ang L3.CD2 and I29.CD1 other bump:2.76327 Ang Y24.CE2 and I28.CD1 other bump:3.30128 Ang E7.CD and I28.CG2 other bump:2.54443 Ang L11.CD1 and I25.CG1 other bump:2.7255 Ang L11.CD2 and I25.N other bump:2.71472 Ang L11.CD2 and Y24.C other bump:2.56891 Ang A10.CB and Y24.OH other bump:2.95815 Ang A10.CB and Y24.CE2 other bump:3.00865 Ang A10.C and Y24.CE2 other bump:3.0777 Ang L11.N and Y24.CE2 other bump:3.0524 Ang L11.CA and Y24.CD2 other bump:2.79584 Ang L11.CG and Y24.CD2 other bump:2.11267 Ang L11.CD2 and Y24.CD2 other bump:2.61138 Ang L11.CD2 and Y24.CG other bump:2.48201 Ang L11.CD2 and Y24.CB other bump:3.16438 Ang L11.CD2 and Y24.CA other bump:2.63278 Ang R14.C and M21.CE other bump:1.86385 Ang V15.N and M21.CE other bump:2.33088 Ang V15.CA and M21.CE other bump:2.61811 Ang V15.CB and M21.CE other bump:2.05864 Ang V15.CG2 and M21.CE other bump:2.07995 Ang L11.O and M21.SD other bump:2.72964 Ang V15.N and M21.SD other bump:2.809 Ang V15.CA and M21.SD other bump:2.06135 Ang V15.CB and M21.SD other bump:1.13241 Ang V15.CG2 and M21.SD other bump:2.45804 Ang V15.CB and M21.CG other bump:2.97937 Ang V15.CG1 and M21.CG other bump:1.07333 Ang V15.CG2 and M21.CG other bump:2.49328 Ang V15.CG2 and M21.CB other bump:3.15242 Ang V15.CG2 and M21.CA other bump:2.97236 Ang R14.CA and T19.OG1 other bump:1.91757 Ang R14.O and T19.OG1 other bump:2.3613 Ang R14.C and T19.OG1 other bump:2.84867 Ang R14.CZ and T19.CG2 other bump:1.94336 Ang R14.NH2 and T19.CG2 other bump:3.07274 Ang R14.NH2 and T19.CB other bump:2.52644 Ang L3.CD2 and E7.OE1 Number of specific fragments= 2 total=906 Number of alignments=85 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1d2zA read from T0180-1d2zA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1d2zA in template set T0180 11 :KD 1d2zA 29 :DN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0180 15 :PVVVRLYPDEIEA 1d2zA 31 :TMAIRLLPLPVRA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.99917 Ang V5.CA and Y8.CE1 other bump:2.97622 Ang V5.CA and Y8.CD1 other bump:3.02994 Ang V4.CG2 and L7.CG other bump:3.05111 Ang V4.CG2 and R6.CG T0180 37 :SMSAYIRRIILNHLE 1d2zA 44 :QLCAHLDALDVWQQL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:1.91359 Ang I10.CG2 and L12.CD1 other bump:2.38945 Ang I10.CG2 and L12.CG other bump:2.57641 Ang Y6.CE1 and I10.CD1 other bump:2.70001 Ang Y6.CZ and I10.CD1 T0180 80 :PVVVRLYPDEIEALKSRVPANTSMSAYIRRIILNHLED 1d2zA 59 :ATAVKLYPDQVEQISSQKQRGRSASNEFLNIWGGQYNH Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.50004 Ang R31.O and N35.CB other bump:2.62756 Ang L7.CD2 and I33.CD1 other bump:2.76327 Ang Y28.CE2 and I32.CD1 other bump:3.30128 Ang E11.CD and I32.CG2 other bump:2.54443 Ang L15.CD1 and I29.CG1 other bump:2.7255 Ang L15.CD2 and I29.N other bump:2.71472 Ang L15.CD2 and Y28.C other bump:2.56891 Ang A14.CB and Y28.OH other bump:2.95815 Ang A14.CB and Y28.CE2 other bump:3.00865 Ang A14.C and Y28.CE2 other bump:3.0777 Ang L15.N and Y28.CE2 other bump:3.0524 Ang L15.CA and Y28.CD2 other bump:2.79584 Ang L15.CG and Y28.CD2 other bump:2.11267 Ang L15.CD2 and Y28.CD2 other bump:2.61138 Ang L15.CD2 and Y28.CG other bump:2.48201 Ang L15.CD2 and Y28.CB other bump:3.16438 Ang L15.CD2 and Y28.CA other bump:2.63278 Ang R18.C and M25.CE other bump:1.86385 Ang V19.N and M25.CE other bump:2.33088 Ang V19.CA and M25.CE other bump:2.61811 Ang V19.CB and M25.CE other bump:2.05864 Ang V19.CG2 and M25.CE other bump:2.07995 Ang L15.O and M25.SD other bump:2.72964 Ang V19.N and M25.SD other bump:2.809 Ang V19.CA and M25.SD other bump:2.06135 Ang V19.CB and M25.SD other bump:1.13241 Ang V19.CG2 and M25.SD other bump:2.45804 Ang V19.CB and M25.CG other bump:2.97937 Ang V19.CG1 and M25.CG other bump:1.07333 Ang V19.CG2 and M25.CG other bump:2.49328 Ang V19.CG2 and M25.CB other bump:3.15242 Ang V19.CG2 and M25.CA other bump:2.97236 Ang R18.CA and T23.OG1 other bump:1.91757 Ang R18.O and T23.OG1 other bump:2.3613 Ang R18.C and T23.OG1 other bump:2.84867 Ang R18.CZ and T23.CG2 other bump:1.94336 Ang R18.NH2 and T23.CG2 other bump:3.07274 Ang R18.NH2 and T23.CB other bump:2.52644 Ang L7.CD2 and E11.OE1 Number of specific fragments= 4 total=910 Number of alignments=86 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1d2zA read from T0180-1d2zA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1d2zA in template set T0180 83 :VRLYPDEIEALKSRVPANTSMSAYIRRIILNHLED 1d2zA 62 :VKLYPDQVEQISSQKQRGRSASNEFLNIWGGQYNH Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.50004 Ang R28.O and N32.CB other bump:2.62756 Ang L4.CD2 and I30.CD1 other bump:2.76327 Ang Y25.CE2 and I29.CD1 other bump:3.30128 Ang E8.CD and I29.CG2 other bump:2.54443 Ang L12.CD1 and I26.CG1 other bump:2.7255 Ang L12.CD2 and I26.N other bump:2.71472 Ang L12.CD2 and Y25.C other bump:2.56891 Ang A11.CB and Y25.OH other bump:2.95815 Ang A11.CB and Y25.CE2 other bump:3.00865 Ang A11.C and Y25.CE2 other bump:3.0777 Ang L12.N and Y25.CE2 other bump:3.0524 Ang L12.CA and Y25.CD2 other bump:2.79584 Ang L12.CG and Y25.CD2 other bump:2.11267 Ang L12.CD2 and Y25.CD2 other bump:2.61138 Ang L12.CD2 and Y25.CG other bump:2.48201 Ang L12.CD2 and Y25.CB other bump:3.16438 Ang L12.CD2 and Y25.CA other bump:2.63278 Ang R15.C and M22.CE other bump:1.86385 Ang V16.N and M22.CE other bump:2.33088 Ang V16.CA and M22.CE other bump:2.61811 Ang V16.CB and M22.CE other bump:2.05864 Ang V16.CG2 and M22.CE other bump:2.07995 Ang L12.O and M22.SD other bump:2.72964 Ang V16.N and M22.SD other bump:2.809 Ang V16.CA and M22.SD other bump:2.06135 Ang V16.CB and M22.SD other bump:1.13241 Ang V16.CG2 and M22.SD other bump:2.45804 Ang V16.CB and M22.CG other bump:2.97937 Ang V16.CG1 and M22.CG other bump:1.07333 Ang V16.CG2 and M22.CG other bump:2.49328 Ang V16.CG2 and M22.CB other bump:3.15242 Ang V16.CG2 and M22.CA other bump:2.97236 Ang R15.CA and T20.OG1 other bump:1.91757 Ang R15.O and T20.OG1 other bump:2.3613 Ang R15.C and T20.OG1 other bump:2.84867 Ang R15.CZ and T20.CG2 other bump:1.94336 Ang R15.NH2 and T20.CG2 other bump:3.07274 Ang R15.NH2 and T20.CB other bump:2.52644 Ang L4.CD2 and E8.OE1 Number of specific fragments= 1 total=911 Number of alignments=87 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1d2zA read from T0180-1d2zA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1d2zA in template set T0180 83 :VRLYPDEIEALKSRVPANTSMSAYIRRIIL 1d2zA 62 :VKLYPDQVEQISSQKQRGRSASNEFLNIWG Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.62756 Ang L4.CD2 and I30.CD1 other bump:2.76327 Ang Y25.CE2 and I29.CD1 other bump:3.30128 Ang E8.CD and I29.CG2 other bump:2.54443 Ang L12.CD1 and I26.CG1 other bump:2.7255 Ang L12.CD2 and I26.N other bump:2.71472 Ang L12.CD2 and Y25.C other bump:2.56891 Ang A11.CB and Y25.OH other bump:2.95815 Ang A11.CB and Y25.CE2 other bump:3.00865 Ang A11.C and Y25.CE2 other bump:3.0777 Ang L12.N and Y25.CE2 other bump:3.0524 Ang L12.CA and Y25.CD2 other bump:2.79584 Ang L12.CG and Y25.CD2 other bump:2.11267 Ang L12.CD2 and Y25.CD2 other bump:2.61138 Ang L12.CD2 and Y25.CG other bump:2.48201 Ang L12.CD2 and Y25.CB other bump:3.16438 Ang L12.CD2 and Y25.CA other bump:2.63278 Ang R15.C and M22.CE other bump:1.86385 Ang V16.N and M22.CE other bump:2.33088 Ang V16.CA and M22.CE other bump:2.61811 Ang V16.CB and M22.CE other bump:2.05864 Ang V16.CG2 and M22.CE other bump:2.07995 Ang L12.O and M22.SD other bump:2.72964 Ang V16.N and M22.SD other bump:2.809 Ang V16.CA and M22.SD other bump:2.06135 Ang V16.CB and M22.SD other bump:1.13241 Ang V16.CG2 and M22.SD other bump:2.45804 Ang V16.CB and M22.CG other bump:2.97937 Ang V16.CG1 and M22.CG other bump:1.07333 Ang V16.CG2 and M22.CG other bump:2.49328 Ang V16.CG2 and M22.CB other bump:3.15242 Ang V16.CG2 and M22.CA other bump:2.97236 Ang R15.CA and T20.OG1 other bump:1.91757 Ang R15.O and T20.OG1 other bump:2.3613 Ang R15.C and T20.OG1 other bump:2.84867 Ang R15.CZ and T20.CG2 other bump:1.94336 Ang R15.NH2 and T20.CG2 other bump:3.07274 Ang R15.NH2 and T20.CB other bump:2.52644 Ang L4.CD2 and E8.OE1 Number of specific fragments= 1 total=912 Number of alignments=88 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1d2zA read from T0180-1d2zA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1d2zA in template set T0180 13 :TKPVVVRLYPDEIEALKSRVPANTSMSAYIRRI 1d2zA 29 :DNTMAIRLLPLPVRAQLCAHLDALDVWQQLATA Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:1.48073 Ang K18.O and P22.CD other bump:2.70202 Ang K18.C and P22.CD other bump:2.11296 Ang K18.O and P22.CG other bump:3.14129 Ang K18.C and P22.CG other bump:2.52455 Ang L17.CD2 and R20.NH2 other bump:2.99917 Ang V7.CA and Y10.CE1 other bump:2.97622 Ang V7.CA and Y10.CD1 other bump:3.02994 Ang V6.CG2 and L9.CG other bump:3.05111 Ang V6.CG2 and R8.CG other bump:3.27026 Ang T2.CA and P4.CD other bump:2.82453 Ang T2.CG2 and P4.CD other bump:2.76335 Ang T2.C and P4.CD neighbor-bump: 2.32295 Ang K3.N and P4.CD T0180 83 :VRLYPDEIEALKSRVPANTSMSAYIRRIILNHLEDD 1d2zA 62 :VKLYPDQVEQISSQKQRGRSASNEFLNIWGGQYNHT Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.50004 Ang R28.O and N32.CB other bump:2.62756 Ang L4.CD2 and I30.CD1 other bump:2.76327 Ang Y25.CE2 and I29.CD1 other bump:3.30128 Ang E8.CD and I29.CG2 other bump:2.54443 Ang L12.CD1 and I26.CG1 other bump:2.7255 Ang L12.CD2 and I26.N other bump:2.71472 Ang L12.CD2 and Y25.C other bump:2.56891 Ang A11.CB and Y25.OH other bump:2.95815 Ang A11.CB and Y25.CE2 other bump:3.00865 Ang A11.C and Y25.CE2 other bump:3.0777 Ang L12.N and Y25.CE2 other bump:3.0524 Ang L12.CA and Y25.CD2 other bump:2.79584 Ang L12.CG and Y25.CD2 other bump:2.11267 Ang L12.CD2 and Y25.CD2 other bump:2.61138 Ang L12.CD2 and Y25.CG other bump:2.48201 Ang L12.CD2 and Y25.CB other bump:3.16438 Ang L12.CD2 and Y25.CA other bump:2.63278 Ang R15.C and M22.CE other bump:1.86385 Ang V16.N and M22.CE other bump:2.33088 Ang V16.CA and M22.CE other bump:2.61811 Ang V16.CB and M22.CE other bump:2.05864 Ang V16.CG2 and M22.CE other bump:2.07995 Ang L12.O and M22.SD other bump:2.72964 Ang V16.N and M22.SD other bump:2.809 Ang V16.CA and M22.SD other bump:2.06135 Ang V16.CB and M22.SD other bump:1.13241 Ang V16.CG2 and M22.SD other bump:2.45804 Ang V16.CB and M22.CG other bump:2.97937 Ang V16.CG1 and M22.CG other bump:1.07333 Ang V16.CG2 and M22.CG other bump:2.49328 Ang V16.CG2 and M22.CB other bump:3.15242 Ang V16.CG2 and M22.CA other bump:2.97236 Ang R15.CA and T20.OG1 other bump:1.91757 Ang R15.O and T20.OG1 other bump:2.3613 Ang R15.C and T20.OG1 other bump:2.84867 Ang R15.CZ and T20.CG2 other bump:1.94336 Ang R15.NH2 and T20.CG2 other bump:3.07274 Ang R15.NH2 and T20.CB other bump:2.52644 Ang L4.CD2 and E8.OE1 Number of specific fragments= 2 total=914 Number of alignments=89 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1d2zA read from T0180-1d2zA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1d2zA in template set T0180 11 :KDT 1d2zA 29 :DNT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0180 16 :VVVRLYPD 1d2zA 32 :MAIRLLPL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.99917 Ang V4.CA and Y7.CE1 other bump:2.97622 Ang V4.CA and Y7.CD1 other bump:3.02994 Ang V3.CG2 and L6.CG other bump:3.05111 Ang V3.CG2 and R5.CG T0180 33 :PANTSMSAYIRRIILNHL 1d2zA 40 :PVRAQLCAHLDALDVWQQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.91359 Ang I14.CG2 and L16.CD1 other bump:2.38945 Ang I14.CG2 and L16.CG other bump:2.57641 Ang Y10.CE1 and I14.CD1 other bump:2.70001 Ang Y10.CZ and I14.CD1 T0180 83 :VRLYPDEIEALKSRVPANTSMSAYIRRIILNHLED 1d2zA 62 :VKLYPDQVEQISSQKQRGRSASNEFLNIWGGQYNH Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.50004 Ang R28.O and N32.CB other bump:2.62756 Ang L4.CD2 and I30.CD1 other bump:2.76327 Ang Y25.CE2 and I29.CD1 other bump:3.30128 Ang E8.CD and I29.CG2 other bump:2.54443 Ang L12.CD1 and I26.CG1 other bump:2.7255 Ang L12.CD2 and I26.N other bump:2.71472 Ang L12.CD2 and Y25.C other bump:2.56891 Ang A11.CB and Y25.OH other bump:2.95815 Ang A11.CB and Y25.CE2 other bump:3.00865 Ang A11.C and Y25.CE2 other bump:3.0777 Ang L12.N and Y25.CE2 other bump:3.0524 Ang L12.CA and Y25.CD2 other bump:2.79584 Ang L12.CG and Y25.CD2 other bump:2.11267 Ang L12.CD2 and Y25.CD2 other bump:2.61138 Ang L12.CD2 and Y25.CG other bump:2.48201 Ang L12.CD2 and Y25.CB other bump:3.16438 Ang L12.CD2 and Y25.CA other bump:2.63278 Ang R15.C and M22.CE other bump:1.86385 Ang V16.N and M22.CE other bump:2.33088 Ang V16.CA and M22.CE other bump:2.61811 Ang V16.CB and M22.CE other bump:2.05864 Ang V16.CG2 and M22.CE other bump:2.07995 Ang L12.O and M22.SD other bump:2.72964 Ang V16.N and M22.SD other bump:2.809 Ang V16.CA and M22.SD other bump:2.06135 Ang V16.CB and M22.SD other bump:1.13241 Ang V16.CG2 and M22.SD other bump:2.45804 Ang V16.CB and M22.CG other bump:2.97937 Ang V16.CG1 and M22.CG other bump:1.07333 Ang V16.CG2 and M22.CG other bump:2.49328 Ang V16.CG2 and M22.CB other bump:3.15242 Ang V16.CG2 and M22.CA other bump:2.97236 Ang R15.CA and T20.OG1 other bump:1.91757 Ang R15.O and T20.OG1 other bump:2.3613 Ang R15.C and T20.OG1 other bump:2.84867 Ang R15.CZ and T20.CG2 other bump:1.94336 Ang R15.NH2 and T20.CG2 other bump:3.07274 Ang R15.NH2 and T20.CB other bump:2.52644 Ang L4.CD2 and E8.OE1 Number of specific fragments= 4 total=918 Number of alignments=90 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1d2zA read from T0180-1d2zA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1d2zA in template set T0180 83 :VRLYPDEIEALKSRVPANTSMSAYIRRII 1d2zA 62 :VKLYPDQVEQISSQKQRGRSASNEFLNIW Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.62756 Ang L4.CD2 and I30.CD1 other bump:2.76327 Ang Y25.CE2 and I29.CD1 other bump:3.30128 Ang E8.CD and I29.CG2 other bump:2.54443 Ang L12.CD1 and I26.CG1 other bump:2.7255 Ang L12.CD2 and I26.N other bump:2.71472 Ang L12.CD2 and Y25.C other bump:2.56891 Ang A11.CB and Y25.OH other bump:2.95815 Ang A11.CB and Y25.CE2 other bump:3.00865 Ang A11.C and Y25.CE2 other bump:3.0777 Ang L12.N and Y25.CE2 other bump:3.0524 Ang L12.CA and Y25.CD2 other bump:2.79584 Ang L12.CG and Y25.CD2 other bump:2.11267 Ang L12.CD2 and Y25.CD2 other bump:2.61138 Ang L12.CD2 and Y25.CG other bump:2.48201 Ang L12.CD2 and Y25.CB other bump:3.16438 Ang L12.CD2 and Y25.CA other bump:2.63278 Ang R15.C and M22.CE other bump:1.86385 Ang V16.N and M22.CE other bump:2.33088 Ang V16.CA and M22.CE other bump:2.61811 Ang V16.CB and M22.CE other bump:2.05864 Ang V16.CG2 and M22.CE other bump:2.07995 Ang L12.O and M22.SD other bump:2.72964 Ang V16.N and M22.SD other bump:2.809 Ang V16.CA and M22.SD other bump:2.06135 Ang V16.CB and M22.SD other bump:1.13241 Ang V16.CG2 and M22.SD other bump:2.45804 Ang V16.CB and M22.CG other bump:2.97937 Ang V16.CG1 and M22.CG other bump:1.07333 Ang V16.CG2 and M22.CG other bump:2.49328 Ang V16.CG2 and M22.CB other bump:3.15242 Ang V16.CG2 and M22.CA other bump:2.97236 Ang R15.CA and T20.OG1 other bump:1.91757 Ang R15.O and T20.OG1 other bump:2.3613 Ang R15.C and T20.OG1 other bump:2.84867 Ang R15.CZ and T20.CG2 other bump:1.94336 Ang R15.NH2 and T20.CG2 other bump:3.07274 Ang R15.NH2 and T20.CB other bump:2.52644 Ang L4.CD2 and E8.OE1 Number of specific fragments= 1 total=919 Number of alignments=91 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1d2zA read from T0180-1d2zA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1d2zA in template set T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRII 1d2zA 63 :KLYPDQVEQISSQKQRGRSASNEFLNIW Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.62756 Ang L3.CD2 and I29.CD1 other bump:2.76327 Ang Y24.CE2 and I28.CD1 other bump:3.30128 Ang E7.CD and I28.CG2 other bump:2.54443 Ang L11.CD1 and I25.CG1 other bump:2.7255 Ang L11.CD2 and I25.N other bump:2.71472 Ang L11.CD2 and Y24.C other bump:2.56891 Ang A10.CB and Y24.OH other bump:2.95815 Ang A10.CB and Y24.CE2 other bump:3.00865 Ang A10.C and Y24.CE2 other bump:3.0777 Ang L11.N and Y24.CE2 other bump:3.0524 Ang L11.CA and Y24.CD2 other bump:2.79584 Ang L11.CG and Y24.CD2 other bump:2.11267 Ang L11.CD2 and Y24.CD2 other bump:2.61138 Ang L11.CD2 and Y24.CG other bump:2.48201 Ang L11.CD2 and Y24.CB other bump:3.16438 Ang L11.CD2 and Y24.CA other bump:2.63278 Ang R14.C and M21.CE other bump:1.86385 Ang V15.N and M21.CE other bump:2.33088 Ang V15.CA and M21.CE other bump:2.61811 Ang V15.CB and M21.CE other bump:2.05864 Ang V15.CG2 and M21.CE other bump:2.07995 Ang L11.O and M21.SD other bump:2.72964 Ang V15.N and M21.SD other bump:2.809 Ang V15.CA and M21.SD other bump:2.06135 Ang V15.CB and M21.SD other bump:1.13241 Ang V15.CG2 and M21.SD other bump:2.45804 Ang V15.CB and M21.CG other bump:2.97937 Ang V15.CG1 and M21.CG other bump:1.07333 Ang V15.CG2 and M21.CG other bump:2.49328 Ang V15.CG2 and M21.CB other bump:3.15242 Ang V15.CG2 and M21.CA other bump:2.97236 Ang R14.CA and T19.OG1 other bump:1.91757 Ang R14.O and T19.OG1 other bump:2.3613 Ang R14.C and T19.OG1 other bump:2.84867 Ang R14.CZ and T19.CG2 other bump:1.94336 Ang R14.NH2 and T19.CG2 other bump:3.07274 Ang R14.NH2 and T19.CB other bump:2.52644 Ang L3.CD2 and E7.OE1 Number of specific fragments= 1 total=920 Number of alignments=92 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-local-adpstyle1.pw.a2m.gz # 1d2zA read from T0180-1d2zA-local-adpstyle1.pw.a2m.gz # found chain 1d2zA in template set T0180 18 :VRLYPDEIEALKSRVPANTSMSAYIRRI 1d2zA 62 :VKLYPDQVEQISSQKQRGRSASNEFLNI Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.76327 Ang Y25.CE2 and I29.CD1 other bump:3.30128 Ang E8.CD and I29.CG2 other bump:2.54443 Ang L12.CD1 and I26.CG1 other bump:2.7255 Ang L12.CD2 and I26.N other bump:2.71472 Ang L12.CD2 and Y25.C other bump:2.56891 Ang A11.CB and Y25.OH other bump:2.95815 Ang A11.CB and Y25.CE2 other bump:3.00865 Ang A11.C and Y25.CE2 other bump:3.0777 Ang L12.N and Y25.CE2 other bump:3.0524 Ang L12.CA and Y25.CD2 other bump:2.79584 Ang L12.CG and Y25.CD2 other bump:2.11267 Ang L12.CD2 and Y25.CD2 other bump:2.61138 Ang L12.CD2 and Y25.CG other bump:2.48201 Ang L12.CD2 and Y25.CB other bump:3.16438 Ang L12.CD2 and Y25.CA other bump:2.63278 Ang R15.C and M22.CE other bump:1.86385 Ang V16.N and M22.CE other bump:2.33088 Ang V16.CA and M22.CE other bump:2.61811 Ang V16.CB and M22.CE other bump:2.05864 Ang V16.CG2 and M22.CE other bump:2.07995 Ang L12.O and M22.SD other bump:2.72964 Ang V16.N and M22.SD other bump:2.809 Ang V16.CA and M22.SD other bump:2.06135 Ang V16.CB and M22.SD other bump:1.13241 Ang V16.CG2 and M22.SD other bump:2.45804 Ang V16.CB and M22.CG other bump:2.97937 Ang V16.CG1 and M22.CG other bump:1.07333 Ang V16.CG2 and M22.CG other bump:2.49328 Ang V16.CG2 and M22.CB other bump:3.15242 Ang V16.CG2 and M22.CA other bump:2.97236 Ang R15.CA and T20.OG1 other bump:1.91757 Ang R15.O and T20.OG1 other bump:2.3613 Ang R15.C and T20.OG1 other bump:2.84867 Ang R15.CZ and T20.CG2 other bump:1.94336 Ang R15.NH2 and T20.CG2 other bump:3.07274 Ang R15.NH2 and T20.CB other bump:2.52644 Ang L4.CD2 and E8.OE1 Number of specific fragments= 1 total=921 Number of alignments=93 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-local-adpstyle5.pw.a2m.gz # 1d2zA read from T0180-1d2zA-local-adpstyle5.pw.a2m.gz # found chain 1d2zA in template set T0180 15 :PVVVRLYPDEIEALKSRVPANTSMSA 1d2zA 59 :ATAVKLYPDQVEQISSQKQRGRSASN Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.16438 Ang L15.CD2 and G28.CA other bump:2.63278 Ang R18.C and M25.CE other bump:1.86385 Ang V19.N and M25.CE other bump:2.33088 Ang V19.CA and M25.CE other bump:2.61811 Ang V19.CB and M25.CE other bump:2.05864 Ang V19.CG2 and M25.CE other bump:2.07995 Ang L15.O and M25.SD other bump:2.72964 Ang V19.N and M25.SD other bump:2.809 Ang V19.CA and M25.SD other bump:2.06135 Ang V19.CB and M25.SD other bump:1.13241 Ang V19.CG2 and M25.SD other bump:2.45804 Ang V19.CB and M25.CG other bump:2.97937 Ang V19.CG1 and M25.CG other bump:1.07333 Ang V19.CG2 and M25.CG other bump:2.49328 Ang V19.CG2 and M25.CB other bump:3.15242 Ang V19.CG2 and M25.CA other bump:2.97236 Ang R18.CA and T23.OG1 other bump:1.91757 Ang R18.O and T23.OG1 other bump:2.3613 Ang R18.C and T23.OG1 other bump:2.84867 Ang R18.CZ and T23.CG2 other bump:1.94336 Ang R18.NH2 and T23.CG2 other bump:3.07274 Ang R18.NH2 and T23.CB other bump:2.52644 Ang L7.CD2 and E11.OE1 Number of specific fragments= 1 total=922 Number of alignments=94 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-simpleSW-adpstyle1.pw.a2m.gz # 1d2zA read from T0180-1d2zA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1d2zA in template set T0180 18 :VRLYPDEIEALKSRVPANTSMSAYIRRI 1d2zA 62 :VKLYPDQVEQISSQKQRGRSASNEFLNI Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.76327 Ang Y25.CE2 and I29.CD1 other bump:3.30128 Ang E8.CD and I29.CG2 other bump:2.54443 Ang L12.CD1 and I26.CG1 other bump:2.7255 Ang L12.CD2 and I26.N other bump:2.71472 Ang L12.CD2 and Y25.C other bump:2.56891 Ang A11.CB and Y25.OH other bump:2.95815 Ang A11.CB and Y25.CE2 other bump:3.00865 Ang A11.C and Y25.CE2 other bump:3.0777 Ang L12.N and Y25.CE2 other bump:3.0524 Ang L12.CA and Y25.CD2 other bump:2.79584 Ang L12.CG and Y25.CD2 other bump:2.11267 Ang L12.CD2 and Y25.CD2 other bump:2.61138 Ang L12.CD2 and Y25.CG other bump:2.48201 Ang L12.CD2 and Y25.CB other bump:3.16438 Ang L12.CD2 and Y25.CA other bump:2.63278 Ang R15.C and M22.CE other bump:1.86385 Ang V16.N and M22.CE other bump:2.33088 Ang V16.CA and M22.CE other bump:2.61811 Ang V16.CB and M22.CE other bump:2.05864 Ang V16.CG2 and M22.CE other bump:2.07995 Ang L12.O and M22.SD other bump:2.72964 Ang V16.N and M22.SD other bump:2.809 Ang V16.CA and M22.SD other bump:2.06135 Ang V16.CB and M22.SD other bump:1.13241 Ang V16.CG2 and M22.SD other bump:2.45804 Ang V16.CB and M22.CG other bump:2.97937 Ang V16.CG1 and M22.CG other bump:1.07333 Ang V16.CG2 and M22.CG other bump:2.49328 Ang V16.CG2 and M22.CB other bump:3.15242 Ang V16.CG2 and M22.CA other bump:2.97236 Ang R15.CA and T20.OG1 other bump:1.91757 Ang R15.O and T20.OG1 other bump:2.3613 Ang R15.C and T20.OG1 other bump:2.84867 Ang R15.CZ and T20.CG2 other bump:1.94336 Ang R15.NH2 and T20.CG2 other bump:3.07274 Ang R15.NH2 and T20.CB other bump:2.52644 Ang L4.CD2 and E8.OE1 Number of specific fragments= 1 total=923 Number of alignments=95 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-simpleSW-adpstyle5.pw.a2m.gz # 1d2zA read from T0180-1d2zA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1d2zA in template set T0180 16 :VVVRLYPDEIEALKSRVPANTS 1d2zA 60 :TAVKLYPDQVEQISSQKQRGRS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:3.15242 Ang V18.CG2 and G24.CA other bump:2.97236 Ang R17.CA and T22.OG1 other bump:1.91757 Ang R17.O and T22.OG1 other bump:2.3613 Ang R17.C and T22.OG1 other bump:2.84867 Ang R17.CZ and T22.CG2 other bump:1.94336 Ang R17.NH2 and T22.CG2 other bump:3.07274 Ang R17.NH2 and T22.CB other bump:2.52644 Ang L6.CD2 and E10.OE1 Number of specific fragments= 1 total=924 Number of alignments=96 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-vit-adpstyle1.pw.a2m.gz # 1d2zA read from T0180-1d2zA-vit-adpstyle1.pw.a2m.gz # found chain 1d2zA in template set T0180 18 :VRLYPDEIEALKSRVPANTSMSAYIRRI 1d2zA 62 :VKLYPDQVEQISSQKQRGRSASNEFLNI Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.76327 Ang Y25.CE2 and I29.CD1 other bump:3.30128 Ang E8.CD and I29.CG2 other bump:2.54443 Ang L12.CD1 and I26.CG1 other bump:2.7255 Ang L12.CD2 and I26.N other bump:2.71472 Ang L12.CD2 and Y25.C other bump:2.56891 Ang A11.CB and Y25.OH other bump:2.95815 Ang A11.CB and Y25.CE2 other bump:3.00865 Ang A11.C and Y25.CE2 other bump:3.0777 Ang L12.N and Y25.CE2 other bump:3.0524 Ang L12.CA and Y25.CD2 other bump:2.79584 Ang L12.CG and Y25.CD2 other bump:2.11267 Ang L12.CD2 and Y25.CD2 other bump:2.61138 Ang L12.CD2 and Y25.CG other bump:2.48201 Ang L12.CD2 and Y25.CB other bump:3.16438 Ang L12.CD2 and Y25.CA other bump:2.63278 Ang R15.C and M22.CE other bump:1.86385 Ang V16.N and M22.CE other bump:2.33088 Ang V16.CA and M22.CE other bump:2.61811 Ang V16.CB and M22.CE other bump:2.05864 Ang V16.CG2 and M22.CE other bump:2.07995 Ang L12.O and M22.SD other bump:2.72964 Ang V16.N and M22.SD other bump:2.809 Ang V16.CA and M22.SD other bump:2.06135 Ang V16.CB and M22.SD other bump:1.13241 Ang V16.CG2 and M22.SD other bump:2.45804 Ang V16.CB and M22.CG other bump:2.97937 Ang V16.CG1 and M22.CG other bump:1.07333 Ang V16.CG2 and M22.CG other bump:2.49328 Ang V16.CG2 and M22.CB other bump:3.15242 Ang V16.CG2 and M22.CA other bump:2.97236 Ang R15.CA and T20.OG1 other bump:1.91757 Ang R15.O and T20.OG1 other bump:2.3613 Ang R15.C and T20.OG1 other bump:2.84867 Ang R15.CZ and T20.CG2 other bump:1.94336 Ang R15.NH2 and T20.CG2 other bump:3.07274 Ang R15.NH2 and T20.CB other bump:2.52644 Ang L4.CD2 and E8.OE1 Number of specific fragments= 1 total=925 Number of alignments=97 # Reading fragments from alignment file # T0180 read from T0180-1d2zA-vit-adpstyle5.pw.a2m.gz # 1d2zA read from T0180-1d2zA-vit-adpstyle5.pw.a2m.gz # found chain 1d2zA in template set T0180 15 :PVVVRLYPDEIEALKSRVPANTSMSA 1d2zA 59 :ATAVKLYPDQVEQISSQKQRGRSASN Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.16438 Ang L15.CD2 and G28.CA other bump:2.63278 Ang R18.C and M25.CE other bump:1.86385 Ang V19.N and M25.CE other bump:2.33088 Ang V19.CA and M25.CE other bump:2.61811 Ang V19.CB and M25.CE other bump:2.05864 Ang V19.CG2 and M25.CE other bump:2.07995 Ang L15.O and M25.SD other bump:2.72964 Ang V19.N and M25.SD other bump:2.809 Ang V19.CA and M25.SD other bump:2.06135 Ang V19.CB and M25.SD other bump:1.13241 Ang V19.CG2 and M25.SD other bump:2.45804 Ang V19.CB and M25.CG other bump:2.97937 Ang V19.CG1 and M25.CG other bump:1.07333 Ang V19.CG2 and M25.CG other bump:2.49328 Ang V19.CG2 and M25.CB other bump:3.15242 Ang V19.CG2 and M25.CA other bump:2.97236 Ang R18.CA and T23.OG1 other bump:1.91757 Ang R18.O and T23.OG1 other bump:2.3613 Ang R18.C and T23.OG1 other bump:2.84867 Ang R18.CZ and T23.CG2 other bump:1.94336 Ang R18.NH2 and T23.CG2 other bump:3.07274 Ang R18.NH2 and T23.CB other bump:2.52644 Ang L7.CD2 and E11.OE1 Number of specific fragments= 1 total=926 Number of alignments=98 # command:# Prefix for input files set to 1ezvD/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0180 read from 1ezvD-T0180-local-adpstyle1.pw.a2m.gz # 1ezvD read from 1ezvD-T0180-local-adpstyle1.pw.a2m.gz # found chain 1ezvD in template set T0180 41 :YIRRIILNHL 1ezvD 190 :YIFSLLTGYP Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:1.31466 Ang R5.O and N9.ND2 other bump:2.26544 Ang R5.CA and N9.ND2 other bump:1.9554 Ang R5.C and N9.ND2 other bump:1.98898 Ang R5.O and N9.CG other bump:2.95982 Ang R5.C and N9.CG other bump:2.22523 Ang R5.O and N9.CB other bump:2.57407 Ang R4.CZ and L8.CD2 other bump:2.58576 Ang R4.NH1 and L8.CD2 other bump:2.38676 Ang R4.NH2 and L8.CD2 other bump:2.28446 Ang R4.CD and L8.CD1 other bump:1.31115 Ang R4.NE and L8.CD1 other bump:0.387003 Ang R4.CZ and L8.CD1 other bump:1.15369 Ang R4.NH1 and L8.CD1 other bump:1.64251 Ang R4.NH2 and L8.CD1 other bump:2.72035 Ang R4.NE and L8.CG other bump:1.75169 Ang R4.CZ and L8.CG other bump:1.22844 Ang R4.NH1 and L8.CG other bump:2.62938 Ang R4.CZ and L8.CB other bump:1.48356 Ang R4.NH1 and L8.CB other bump:3.12315 Ang R4.NH2 and L8.CB other bump:2.54953 Ang Y2.CE1 and I6.CD1 other bump:2.46176 Ang Y2.CE2 and I6.CD1 other bump:2.08913 Ang Y2.CZ and I6.CD1 other bump:2.49762 Ang Y2.OH and I6.CD1 T0180 51 :EDDGGGGGGGGGGGGMVG 1ezvD 201 :EPPAGVALPPGSNYNPYF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0180 71 :PGGGLKDTKPVVVRLYPDE 1ezvD 219 :PGGSIAMARVLFDDMVEYE Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.91493 Ang V13.CG2 and L16.CD2 other bump:2.8584 Ang V13.CB and L16.CD1 other bump:1.68865 Ang V13.CG2 and L16.CD1 other bump:2.87953 Ang V13.N and L16.CD1 other bump:2.36318 Ang V13.CG2 and L16.CG neighbor-bump: 2.80904 Ang V14.CG1 and R15.CG neighbor-bump: 2.91604 Ang V14.CG1 and R15.CA neighbor-bump: 2.46551 Ang V14.CB and R15.N neighbor-bump: 1.83002 Ang V14.CG1 and R15.N self-bump: 2.32848 Ang V14.CG1 and V14.C self-bump: 1.31377 Ang V14.CA and V14.CB neighbor-bump: 2.11901 Ang K10.C and P11.CD other bump:2.44633 Ang T9.O and P11.CD neighbor-bump: 2.35017 Ang D8.OD1 and T9.O Number of specific fragments= 3 total=929 Number of alignments=99 # Reading fragments from alignment file # T0180 read from 1ezvD-T0180-local-adpstyle5.pw.a2m.gz # 1ezvD read from 1ezvD-T0180-local-adpstyle5.pw.a2m.gz # found chain 1ezvD in template set T0180 39 :SAYIRRIILNHLEDDGGGGGG 1ezvD 188 :CDYIFSLLTGYPDEPPAGVAL Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.31466 Ang R7.O and N11.ND2 other bump:2.26544 Ang R7.CA and N11.ND2 other bump:1.9554 Ang R7.C and N11.ND2 other bump:1.98898 Ang R7.O and N11.CG other bump:2.95982 Ang R7.C and N11.CG other bump:2.22523 Ang R7.O and N11.CB other bump:2.57407 Ang R6.CZ and L10.CD2 other bump:2.58576 Ang R6.NH1 and L10.CD2 other bump:2.38676 Ang R6.NH2 and L10.CD2 other bump:0.387003 Ang R6.CZ and L10.CD1 other bump:1.15369 Ang R6.NH1 and L10.CD1 other bump:1.64251 Ang R6.NH2 and L10.CD1 other bump:2.28446 Ang R6.CD and L10.CD1 other bump:1.31115 Ang R6.NE and L10.CD1 other bump:1.75169 Ang R6.CZ and L10.CG other bump:1.22844 Ang R6.NH1 and L10.CG other bump:2.72035 Ang R6.NE and L10.CG other bump:2.62938 Ang R6.CZ and L10.CB other bump:1.48356 Ang R6.NH1 and L10.CB other bump:3.12315 Ang R6.NH2 and L10.CB other bump:2.08913 Ang Y4.CZ and I8.CD1 other bump:2.49762 Ang Y4.OH and I8.CD1 other bump:2.54953 Ang Y4.CE1 and I8.CD1 other bump:2.46176 Ang Y4.CE2 and I8.CD1 T0180 61 :GGGGGMVGRRPGGGLKDTKPVVVRLY 1ezvD 209 :PPGSNYNPYFPGGSIAMARVLFDDMV Fragment has 48 clashes (null) has 48 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.91493 Ang V23.CG2 and L26.CD2 other bump:2.8584 Ang V23.CB and L26.CD1 other bump:1.68865 Ang V23.CG2 and L26.CD1 other bump:2.87953 Ang V23.N and L26.CD1 other bump:2.36318 Ang V23.CG2 and L26.CG neighbor-bump: 2.80904 Ang V24.CG1 and R25.CG neighbor-bump: 2.91604 Ang V24.CG1 and R25.CA neighbor-bump: 2.46551 Ang V24.CB and R25.N neighbor-bump: 1.83002 Ang V24.CG1 and R25.N self-bump: 2.32848 Ang V24.CG1 and V24.C self-bump: 1.31377 Ang V24.CA and V24.CB neighbor-bump: 2.11901 Ang K20.C and P21.CD other bump:2.44633 Ang T19.O and P21.CD neighbor-bump: 2.35017 Ang D18.OD1 and T19.O other bump:2.9562 Ang R11.NH2 and L16.C other bump:2.57177 Ang R11.CZ and L16.CD2 other bump:2.94904 Ang R11.NH1 and L16.CD2 other bump:3.07946 Ang R11.CB and L16.CD2 other bump:2.18089 Ang R11.CG and L16.CD2 other bump:0.688222 Ang R11.CD and L16.CD2 other bump:1.58969 Ang R11.NE and L16.CD2 other bump:2.62865 Ang R11.CB and L16.CD1 other bump:2.44276 Ang R11.CD and L16.CD1 other bump:2.42283 Ang R11.NE and L16.CD1 other bump:2.8728 Ang R11.CB and L16.CG other bump:2.65557 Ang R11.CG and L16.CG other bump:1.53655 Ang R11.CD and L16.CG other bump:0.97496 Ang R11.NE and L16.CG other bump:2.6413 Ang R11.NH2 and L16.CB other bump:2.42815 Ang R11.CZ and L16.CB other bump:2.79241 Ang R11.CD and L16.CB other bump:1.80801 Ang R11.NE and L16.CB other bump:1.75329 Ang R11.NH2 and L16.CA other bump:1.88489 Ang R11.CZ and L16.CA other bump:2.22751 Ang R11.NE and L16.CA other bump:0.57874 Ang R11.NH2 and L16.N other bump:1.72669 Ang R11.CZ and L16.N other bump:2.71906 Ang R11.NH1 and L16.N other bump:2.54679 Ang R11.NE and L16.N other bump:0.946337 Ang R11.NH2 and G15.C other bump:1.72067 Ang R11.CZ and G15.C other bump:2.11985 Ang R11.NH1 and G15.C other bump:2.96952 Ang R11.NE and G15.C other bump:1.89521 Ang R11.NH2 and G15.O other bump:1.87314 Ang R11.CZ and G15.O other bump:1.41857 Ang R11.NH1 and G15.O other bump:2.11099 Ang R11.NH2 and G15.CA other bump:2.96499 Ang R11.CZ and G15.CA Number of specific fragments= 2 total=931 Number of alignments=100 # Reading fragments from alignment file # T0180 read from 1ezvD-T0180-vit-adpstyle1.pw.a2m.gz # 1ezvD read from 1ezvD-T0180-vit-adpstyle1.pw.a2m.gz # found chain 1ezvD in template set T0180 41 :YIRRIILNHL 1ezvD 190 :YIFSLLTGYP Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:1.31466 Ang R5.O and N9.ND2 other bump:2.26544 Ang R5.CA and N9.ND2 other bump:1.9554 Ang R5.C and N9.ND2 other bump:1.98898 Ang R5.O and N9.CG other bump:2.95982 Ang R5.C and N9.CG other bump:2.22523 Ang R5.O and N9.CB other bump:2.57407 Ang R4.CZ and L8.CD2 other bump:2.58576 Ang R4.NH1 and L8.CD2 other bump:2.38676 Ang R4.NH2 and L8.CD2 other bump:2.28446 Ang R4.CD and L8.CD1 other bump:1.31115 Ang R4.NE and L8.CD1 other bump:0.387003 Ang R4.CZ and L8.CD1 other bump:1.15369 Ang R4.NH1 and L8.CD1 other bump:1.64251 Ang R4.NH2 and L8.CD1 other bump:2.72035 Ang R4.NE and L8.CG other bump:1.75169 Ang R4.CZ and L8.CG other bump:1.22844 Ang R4.NH1 and L8.CG other bump:2.62938 Ang R4.CZ and L8.CB other bump:1.48356 Ang R4.NH1 and L8.CB other bump:3.12315 Ang R4.NH2 and L8.CB other bump:2.54953 Ang Y2.CE1 and I6.CD1 other bump:2.46176 Ang Y2.CE2 and I6.CD1 other bump:2.08913 Ang Y2.CZ and I6.CD1 other bump:2.49762 Ang Y2.OH and I6.CD1 T0180 51 :EDDGGGGGGGGGGGGMVG 1ezvD 201 :EPPAGVALPPGSNYNPYF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0180 71 :PGGGLKDTKPVVVRLYPDE 1ezvD 219 :PGGSIAMARVLFDDMVEYE Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.91493 Ang V13.CG2 and L16.CD2 other bump:2.8584 Ang V13.CB and L16.CD1 other bump:1.68865 Ang V13.CG2 and L16.CD1 other bump:2.87953 Ang V13.N and L16.CD1 other bump:2.36318 Ang V13.CG2 and L16.CG neighbor-bump: 2.80904 Ang V14.CG1 and R15.CG neighbor-bump: 2.91604 Ang V14.CG1 and R15.CA neighbor-bump: 2.46551 Ang V14.CB and R15.N neighbor-bump: 1.83002 Ang V14.CG1 and R15.N self-bump: 2.32848 Ang V14.CG1 and V14.C self-bump: 1.31377 Ang V14.CA and V14.CB neighbor-bump: 2.11901 Ang K10.C and P11.CD other bump:2.44633 Ang T9.O and P11.CD neighbor-bump: 2.35017 Ang D8.OD1 and T9.O Number of specific fragments= 3 total=934 Number of alignments=101 # Reading fragments from alignment file # T0180 read from 1ezvD-T0180-vit-adpstyle5.pw.a2m.gz # 1ezvD read from 1ezvD-T0180-vit-adpstyle5.pw.a2m.gz # found chain 1ezvD in template set T0180 39 :SAYIRRIILNHLEDDGGGGGG 1ezvD 188 :CDYIFSLLTGYPDEPPAGVAL Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.31466 Ang R7.O and N11.ND2 other bump:2.26544 Ang R7.CA and N11.ND2 other bump:1.9554 Ang R7.C and N11.ND2 other bump:1.98898 Ang R7.O and N11.CG other bump:2.95982 Ang R7.C and N11.CG other bump:2.22523 Ang R7.O and N11.CB other bump:2.57407 Ang R6.CZ and L10.CD2 other bump:2.58576 Ang R6.NH1 and L10.CD2 other bump:2.38676 Ang R6.NH2 and L10.CD2 other bump:0.387003 Ang R6.CZ and L10.CD1 other bump:1.15369 Ang R6.NH1 and L10.CD1 other bump:1.64251 Ang R6.NH2 and L10.CD1 other bump:2.28446 Ang R6.CD and L10.CD1 other bump:1.31115 Ang R6.NE and L10.CD1 other bump:1.75169 Ang R6.CZ and L10.CG other bump:1.22844 Ang R6.NH1 and L10.CG other bump:2.72035 Ang R6.NE and L10.CG other bump:2.62938 Ang R6.CZ and L10.CB other bump:1.48356 Ang R6.NH1 and L10.CB other bump:3.12315 Ang R6.NH2 and L10.CB other bump:2.08913 Ang Y4.CZ and I8.CD1 other bump:2.49762 Ang Y4.OH and I8.CD1 other bump:2.54953 Ang Y4.CE1 and I8.CD1 other bump:2.46176 Ang Y4.CE2 and I8.CD1 T0180 61 :GGGGGMVGRRPGGGLKDTKPVVVRLY 1ezvD 209 :PPGSNYNPYFPGGSIAMARVLFDDMV Fragment has 48 clashes (null) has 48 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.91493 Ang V23.CG2 and L26.CD2 other bump:2.8584 Ang V23.CB and L26.CD1 other bump:1.68865 Ang V23.CG2 and L26.CD1 other bump:2.87953 Ang V23.N and L26.CD1 other bump:2.36318 Ang V23.CG2 and L26.CG neighbor-bump: 2.80904 Ang V24.CG1 and R25.CG neighbor-bump: 2.91604 Ang V24.CG1 and R25.CA neighbor-bump: 2.46551 Ang V24.CB and R25.N neighbor-bump: 1.83002 Ang V24.CG1 and R25.N self-bump: 2.32848 Ang V24.CG1 and V24.C self-bump: 1.31377 Ang V24.CA and V24.CB neighbor-bump: 2.11901 Ang K20.C and P21.CD other bump:2.44633 Ang T19.O and P21.CD neighbor-bump: 2.35017 Ang D18.OD1 and T19.O other bump:2.9562 Ang R11.NH2 and L16.C other bump:2.57177 Ang R11.CZ and L16.CD2 other bump:2.94904 Ang R11.NH1 and L16.CD2 other bump:3.07946 Ang R11.CB and L16.CD2 other bump:2.18089 Ang R11.CG and L16.CD2 other bump:0.688222 Ang R11.CD and L16.CD2 other bump:1.58969 Ang R11.NE and L16.CD2 other bump:2.62865 Ang R11.CB and L16.CD1 other bump:2.44276 Ang R11.CD and L16.CD1 other bump:2.42283 Ang R11.NE and L16.CD1 other bump:2.8728 Ang R11.CB and L16.CG other bump:2.65557 Ang R11.CG and L16.CG other bump:1.53655 Ang R11.CD and L16.CG other bump:0.97496 Ang R11.NE and L16.CG other bump:2.6413 Ang R11.NH2 and L16.CB other bump:2.42815 Ang R11.CZ and L16.CB other bump:2.79241 Ang R11.CD and L16.CB other bump:1.80801 Ang R11.NE and L16.CB other bump:1.75329 Ang R11.NH2 and L16.CA other bump:1.88489 Ang R11.CZ and L16.CA other bump:2.22751 Ang R11.NE and L16.CA other bump:0.57874 Ang R11.NH2 and L16.N other bump:1.72669 Ang R11.CZ and L16.N other bump:2.71906 Ang R11.NH1 and L16.N other bump:2.54679 Ang R11.NE and L16.N other bump:0.946337 Ang R11.NH2 and G15.C other bump:1.72067 Ang R11.CZ and G15.C other bump:2.11985 Ang R11.NH1 and G15.C other bump:2.96952 Ang R11.NE and G15.C other bump:1.89521 Ang R11.NH2 and G15.O other bump:1.87314 Ang R11.CZ and G15.O other bump:1.41857 Ang R11.NH1 and G15.O other bump:2.11099 Ang R11.NH2 and G15.CA other bump:2.96499 Ang R11.CZ and G15.CA Number of specific fragments= 2 total=936 Number of alignments=102 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1ezvD read from T0180-1ezvD-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1ezvD in template set T0180 1 :MV 1ezvD 62 :MT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0180 3 :GRRPGGGLKDTKPVVVRLYPDEIEALKSRVPANTSM 1ezvD 144 :PKKRPGKLSDYIPGPYPNEQAARAANQGALPPDLSL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.73153 Ang L27.CD1 and P32.CD other bump:2.18722 Ang L27.CD1 and P32.CG other bump:3.0179 Ang I24.CG2 and S29.C other bump:2.85168 Ang I24.CG2 and S29.CA other bump:2.60146 Ang V17.CB and E23.CG other bump:2.65372 Ang V17.CG1 and E23.CG other bump:2.56384 Ang V17.CG2 and E23.CG other bump:2.61043 Ang L19.CD2 and P21.CB other bump:2.51848 Ang V17.CG1 and L19.O T0180 39 :SAYIRRIILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDT 1ezvD 187 :GCDYIFSLLTGYPDEPPAGVALPPGSNYNPYFPGGSIAMA Fragment has 82 clashes (null) has 82 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues neighbor-bump: 2.35017 Ang D40.OD1 and T41.O other bump:2.9562 Ang R33.NH2 and L38.C other bump:2.57177 Ang R33.CZ and L38.CD2 other bump:2.94904 Ang R33.NH1 and L38.CD2 other bump:1.58969 Ang R33.NE and L38.CD2 other bump:3.07946 Ang R33.CB and L38.CD2 other bump:2.18089 Ang R33.CG and L38.CD2 other bump:0.688222 Ang R33.CD and L38.CD2 other bump:2.42283 Ang R33.NE and L38.CD1 other bump:2.62865 Ang R33.CB and L38.CD1 other bump:2.44276 Ang R33.CD and L38.CD1 other bump:0.97496 Ang R33.NE and L38.CG other bump:2.8728 Ang R33.CB and L38.CG other bump:2.65557 Ang R33.CG and L38.CG other bump:1.53655 Ang R33.CD and L38.CG other bump:2.42815 Ang R33.CZ and L38.CB other bump:2.6413 Ang R33.NH2 and L38.CB other bump:1.80801 Ang R33.NE and L38.CB other bump:2.79241 Ang R33.CD and L38.CB other bump:1.88489 Ang R33.CZ and L38.CA other bump:1.75329 Ang R33.NH2 and L38.CA other bump:2.22751 Ang R33.NE and L38.CA other bump:1.72669 Ang R33.CZ and L38.N other bump:2.71906 Ang R33.NH1 and L38.N other bump:0.57874 Ang R33.NH2 and L38.N other bump:2.54679 Ang R33.NE and L38.N other bump:1.72067 Ang R33.CZ and G37.C other bump:2.11985 Ang R33.NH1 and G37.C other bump:0.946337 Ang R33.NH2 and G37.C other bump:2.96952 Ang R33.NE and G37.C other bump:1.87314 Ang R33.CZ and G37.O other bump:1.41857 Ang R33.NH1 and G37.O other bump:1.89521 Ang R33.NH2 and G37.O other bump:2.96499 Ang R33.CZ and G37.CA other bump:2.11099 Ang R33.NH2 and G37.CA other bump:2.85101 Ang I8.CG2 and R32.NH2 other bump:1.82861 Ang I8.CA and R32.NH1 other bump:2.37755 Ang I8.C and R32.NH1 other bump:1.7421 Ang I8.CG2 and R32.NH1 other bump:1.94689 Ang I8.CB and R32.NH1 other bump:2.67741 Ang I8.CG1 and R32.NH1 other bump:3.06606 Ang I8.CA and R32.CZ other bump:1.64326 Ang I8.CG2 and R32.CZ other bump:2.65031 Ang I8.CB and R32.CZ other bump:3.21894 Ang I8.CG1 and R32.CZ other bump:1.50672 Ang I8.CG2 and R32.NE other bump:3.09285 Ang I8.C and R32.CD other bump:1.62265 Ang I8.CG2 and R32.CD other bump:2.8507 Ang I8.CB and R32.CD other bump:2.87347 Ang I8.CG2 and R32.CG other bump:2.87197 Ang L13.CD2 and V30.CG2 other bump:2.57378 Ang H12.NE2 and V30.CG1 other bump:2.06638 Ang H12.CD2 and V30.CG1 other bump:1.99642 Ang I9.O and H12.NE2 other bump:2.24837 Ang I9.C and H12.NE2 other bump:1.99657 Ang I9.CA and H12.NE2 other bump:2.56984 Ang I9.CB and H12.NE2 other bump:2.39453 Ang I9.CG2 and H12.NE2 other bump:3.07889 Ang I8.C and H12.CE1 other bump:1.26553 Ang I9.O and H12.CE1 other bump:0.945856 Ang I9.C and H12.CE1 other bump:2.26229 Ang L10.N and H12.CE1 other bump:1.20329 Ang I9.CA and H12.CE1 other bump:2.22145 Ang I9.CB and H12.CE1 other bump:2.48107 Ang I9.N and H12.CE1 other bump:2.43994 Ang I9.CG2 and H12.CE1 other bump:1.76887 Ang I8.O and H12.ND1 other bump:2.31264 Ang I8.C and H12.ND1 other bump:1.54354 Ang I9.O and H12.ND1 other bump:1.42982 Ang I9.C and H12.ND1 other bump:2.449 Ang L10.N and H12.ND1 other bump:1.78683 Ang I9.CA and H12.ND1 other bump:2.34003 Ang I9.N and H12.ND1 other bump:2.54864 Ang I9.O and H12.CD2 other bump:3.02212 Ang I9.C and H12.CD2 other bump:2.7561 Ang I9.CA and H12.CD2 other bump:2.06965 Ang I8.O and H12.CG other bump:2.92716 Ang I8.C and H12.CG other bump:2.34 Ang I9.O and H12.CG other bump:2.69214 Ang I9.C and H12.CG other bump:2.66993 Ang I9.CA and H12.CG other bump:2.19861 Ang I8.O and H12.CB T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHLED 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAE Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:1.93188 Ang P16.O and M21.CE other bump:2.44039 Ang P16.C and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 4 total=940 Number of alignments=103 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1ezvD read from T0180-1ezvD-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1ezvD in template set T0180 1 :MV 1ezvD 62 :MT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0180 9 :GL 1ezvD 117 :GV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0180 16 :VVVRLYPDEIEALKSR 1ezvD 154 :YIPGPYPNEQAARAAN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.86319 Ang Y7.CE2 and S16.OG other bump:2.96244 Ang Y7.CZ and S16.OG T0180 32 :VPANTSM 1ezvD 173 :LPPDLSL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0180 39 :SAYIRR 1ezvD 188 :CDYIFS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0180 46 :ILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDT 1ezvD 194 :LLTGYPDEPPAGVALPPGSNYNPYFPGGSIAMA Fragment has 73 clashes (null) has 73 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.35017 Ang D33.OD1 and T34.O other bump:2.9562 Ang R26.NH2 and L31.C other bump:2.18089 Ang R26.CG and L31.CD2 other bump:1.58969 Ang R26.NE and L31.CD2 other bump:2.57177 Ang R26.CZ and L31.CD2 other bump:2.94904 Ang R26.NH1 and L31.CD2 other bump:3.07946 Ang R26.CB and L31.CD2 other bump:0.688222 Ang R26.CD and L31.CD2 other bump:2.42283 Ang R26.NE and L31.CD1 other bump:2.62865 Ang R26.CB and L31.CD1 other bump:2.44276 Ang R26.CD and L31.CD1 other bump:2.65557 Ang R26.CG and L31.CG other bump:0.97496 Ang R26.NE and L31.CG other bump:2.8728 Ang R26.CB and L31.CG other bump:1.53655 Ang R26.CD and L31.CG other bump:1.80801 Ang R26.NE and L31.CB other bump:2.42815 Ang R26.CZ and L31.CB other bump:2.6413 Ang R26.NH2 and L31.CB other bump:2.79241 Ang R26.CD and L31.CB other bump:2.22751 Ang R26.NE and L31.CA other bump:1.88489 Ang R26.CZ and L31.CA other bump:1.75329 Ang R26.NH2 and L31.CA other bump:2.54679 Ang R26.NE and L31.N other bump:1.72669 Ang R26.CZ and L31.N other bump:2.71906 Ang R26.NH1 and L31.N other bump:0.57874 Ang R26.NH2 and L31.N other bump:2.96952 Ang R26.NE and G30.C other bump:1.72067 Ang R26.CZ and G30.C other bump:2.11985 Ang R26.NH1 and G30.C other bump:0.946337 Ang R26.NH2 and G30.C other bump:1.87314 Ang R26.CZ and G30.O other bump:1.41857 Ang R26.NH1 and G30.O other bump:1.89521 Ang R26.NH2 and G30.O other bump:2.96499 Ang R26.CZ and G30.CA other bump:2.11099 Ang R26.NH2 and G30.CA other bump:2.37755 Ang G1.C and R25.NH1 other bump:3.09285 Ang G1.C and R25.CD other bump:2.87197 Ang L6.CD2 and V23.CG2 other bump:2.39517 Ang I2.CD1 and V23.CG1 other bump:2.06638 Ang H5.CD2 and V23.CG1 other bump:2.57378 Ang H5.NE2 and V23.CG1 other bump:1.71408 Ang I2.CD1 and H5.NE2 other bump:1.99657 Ang I2.CA and H5.NE2 other bump:2.3592 Ang I2.CB and H5.NE2 other bump:1.97067 Ang I2.CG1 and H5.NE2 other bump:1.99642 Ang I2.O and H5.NE2 other bump:2.24837 Ang I2.C and H5.NE2 other bump:3.07889 Ang G1.C and H5.CE1 other bump:2.83659 Ang I2.CD1 and H5.CE1 other bump:1.20329 Ang I2.CA and H5.CE1 other bump:2.09331 Ang I2.CB and H5.CE1 other bump:2.38572 Ang I2.CG1 and H5.CE1 other bump:1.26553 Ang I2.O and H5.CE1 other bump:0.945856 Ang I2.C and H5.CE1 other bump:2.26229 Ang L3.N and H5.CE1 other bump:2.48107 Ang I2.N and H5.CE1 other bump:1.76887 Ang G1.O and H5.ND1 other bump:2.31264 Ang G1.C and H5.ND1 other bump:1.78683 Ang I2.CA and H5.ND1 other bump:1.54354 Ang I2.O and H5.ND1 other bump:1.42982 Ang I2.C and H5.ND1 other bump:2.449 Ang L3.N and H5.ND1 other bump:2.34003 Ang I2.N and H5.ND1 other bump:2.51837 Ang I2.CD1 and H5.CD2 other bump:2.7561 Ang I2.CA and H5.CD2 other bump:2.54864 Ang I2.O and H5.CD2 other bump:3.02212 Ang I2.C and H5.CD2 other bump:2.06965 Ang G1.O and H5.CG other bump:2.92716 Ang G1.C and H5.CG other bump:2.66993 Ang I2.CA and H5.CG other bump:2.34 Ang I2.O and H5.CG other bump:2.69214 Ang I2.C and H5.CG other bump:2.19861 Ang G1.O and H5.CB T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHLED 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAE Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:1.93188 Ang P16.O and M21.CE other bump:2.44039 Ang P16.C and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 7 total=947 Number of alignments=104 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1ezvD read from T0180-1ezvD-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1ezvD in template set T0180 46 :ILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDT 1ezvD 194 :LLTGYPDEPPAGVALPPGSNYNPYFPGGSIAMA Fragment has 73 clashes (null) has 73 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.35017 Ang D33.OD1 and T34.O other bump:2.9562 Ang R26.NH2 and L31.C other bump:2.18089 Ang R26.CG and L31.CD2 other bump:1.58969 Ang R26.NE and L31.CD2 other bump:2.57177 Ang R26.CZ and L31.CD2 other bump:2.94904 Ang R26.NH1 and L31.CD2 other bump:3.07946 Ang R26.CB and L31.CD2 other bump:0.688222 Ang R26.CD and L31.CD2 other bump:2.42283 Ang R26.NE and L31.CD1 other bump:2.62865 Ang R26.CB and L31.CD1 other bump:2.44276 Ang R26.CD and L31.CD1 other bump:2.65557 Ang R26.CG and L31.CG other bump:0.97496 Ang R26.NE and L31.CG other bump:2.8728 Ang R26.CB and L31.CG other bump:1.53655 Ang R26.CD and L31.CG other bump:1.80801 Ang R26.NE and L31.CB other bump:2.42815 Ang R26.CZ and L31.CB other bump:2.6413 Ang R26.NH2 and L31.CB other bump:2.79241 Ang R26.CD and L31.CB other bump:2.22751 Ang R26.NE and L31.CA other bump:1.88489 Ang R26.CZ and L31.CA other bump:1.75329 Ang R26.NH2 and L31.CA other bump:2.54679 Ang R26.NE and L31.N other bump:1.72669 Ang R26.CZ and L31.N other bump:2.71906 Ang R26.NH1 and L31.N other bump:0.57874 Ang R26.NH2 and L31.N other bump:2.96952 Ang R26.NE and G30.C other bump:1.72067 Ang R26.CZ and G30.C other bump:2.11985 Ang R26.NH1 and G30.C other bump:0.946337 Ang R26.NH2 and G30.C other bump:1.87314 Ang R26.CZ and G30.O other bump:1.41857 Ang R26.NH1 and G30.O other bump:1.89521 Ang R26.NH2 and G30.O other bump:2.96499 Ang R26.CZ and G30.CA other bump:2.11099 Ang R26.NH2 and G30.CA other bump:2.37755 Ang G1.C and R25.NH1 other bump:3.09285 Ang G1.C and R25.CD other bump:2.87197 Ang L6.CD2 and V23.CG2 other bump:2.39517 Ang I2.CD1 and V23.CG1 other bump:2.06638 Ang H5.CD2 and V23.CG1 other bump:2.57378 Ang H5.NE2 and V23.CG1 other bump:1.71408 Ang I2.CD1 and H5.NE2 other bump:1.99657 Ang I2.CA and H5.NE2 other bump:2.3592 Ang I2.CB and H5.NE2 other bump:1.97067 Ang I2.CG1 and H5.NE2 other bump:1.99642 Ang I2.O and H5.NE2 other bump:2.24837 Ang I2.C and H5.NE2 other bump:3.07889 Ang G1.C and H5.CE1 other bump:2.83659 Ang I2.CD1 and H5.CE1 other bump:1.20329 Ang I2.CA and H5.CE1 other bump:2.09331 Ang I2.CB and H5.CE1 other bump:2.38572 Ang I2.CG1 and H5.CE1 other bump:1.26553 Ang I2.O and H5.CE1 other bump:0.945856 Ang I2.C and H5.CE1 other bump:2.26229 Ang L3.N and H5.CE1 other bump:2.48107 Ang I2.N and H5.CE1 other bump:1.76887 Ang G1.O and H5.ND1 other bump:2.31264 Ang G1.C and H5.ND1 other bump:1.78683 Ang I2.CA and H5.ND1 other bump:1.54354 Ang I2.O and H5.ND1 other bump:1.42982 Ang I2.C and H5.ND1 other bump:2.449 Ang L3.N and H5.ND1 other bump:2.34003 Ang I2.N and H5.ND1 other bump:2.51837 Ang I2.CD1 and H5.CD2 other bump:2.7561 Ang I2.CA and H5.CD2 other bump:2.54864 Ang I2.O and H5.CD2 other bump:3.02212 Ang I2.C and H5.CD2 other bump:2.06965 Ang G1.O and H5.CG other bump:2.92716 Ang G1.C and H5.CG other bump:2.66993 Ang I2.CA and H5.CG other bump:2.34 Ang I2.O and H5.CG other bump:2.69214 Ang I2.C and H5.CG other bump:2.19861 Ang G1.O and H5.CB T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHLED 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAE Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:1.93188 Ang P16.O and M21.CE other bump:2.44039 Ang P16.C and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 2 total=949 Number of alignments=105 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1ezvD read from T0180-1ezvD-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1ezvD in template set T0180 30 :SRVPANTSMSAYIRRI 1ezvD 179 :LIVKARHGGCDYIFSL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.54953 Ang Y13.CE1 and I17.CD1 other bump:2.46176 Ang Y13.CE2 and I17.CD1 other bump:2.08913 Ang Y13.CZ and I17.CD1 other bump:2.49762 Ang Y13.OH and I17.CD1 other bump:2.85362 Ang S9.CB and Y13.CB self-bump: 2.20547 Ang M10.CB and M10.C other bump:1.98743 Ang V4.CG1 and M10.CE other bump:2.44066 Ang V4.O and M10.CG self-bump: 1.30072 Ang M10.CA and M10.CB neighbor-bump: 2.09153 Ang T8.O and S9.CB neighbor-bump: 2.52585 Ang T8.C and S9.CB T0180 47 :LNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDT 1ezvD 195 :LTGYPDEPPAGVALPPGSNYNPYFPGGSIAMA Fragment has 50 clashes (null) has 50 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.35017 Ang D32.OD1 and T33.O other bump:2.9562 Ang R25.NH2 and L30.C other bump:2.18089 Ang R25.CG and L30.CD2 other bump:1.58969 Ang R25.NE and L30.CD2 other bump:2.57177 Ang R25.CZ and L30.CD2 other bump:2.94904 Ang R25.NH1 and L30.CD2 other bump:3.07946 Ang R25.CB and L30.CD2 other bump:0.688222 Ang R25.CD and L30.CD2 other bump:2.42283 Ang R25.NE and L30.CD1 other bump:2.62865 Ang R25.CB and L30.CD1 other bump:2.44276 Ang R25.CD and L30.CD1 other bump:2.65557 Ang R25.CG and L30.CG other bump:0.97496 Ang R25.NE and L30.CG other bump:2.8728 Ang R25.CB and L30.CG other bump:1.53655 Ang R25.CD and L30.CG other bump:1.80801 Ang R25.NE and L30.CB other bump:2.42815 Ang R25.CZ and L30.CB other bump:2.6413 Ang R25.NH2 and L30.CB other bump:2.79241 Ang R25.CD and L30.CB other bump:2.22751 Ang R25.NE and L30.CA other bump:1.88489 Ang R25.CZ and L30.CA other bump:1.75329 Ang R25.NH2 and L30.CA other bump:2.54679 Ang R25.NE and L30.N other bump:1.72669 Ang R25.CZ and L30.N other bump:2.71906 Ang R25.NH1 and L30.N other bump:0.57874 Ang R25.NH2 and L30.N other bump:2.96952 Ang R25.NE and G29.C other bump:1.72067 Ang R25.CZ and G29.C other bump:2.11985 Ang R25.NH1 and G29.C other bump:0.946337 Ang R25.NH2 and G29.C other bump:1.87314 Ang R25.CZ and G29.O other bump:1.41857 Ang R25.NH1 and G29.O other bump:1.89521 Ang R25.NH2 and G29.O other bump:2.96499 Ang R25.CZ and G29.CA other bump:2.11099 Ang R25.NH2 and G29.CA other bump:2.87197 Ang L5.CD2 and V22.CG2 other bump:2.06638 Ang H4.CD2 and V22.CG1 other bump:2.57378 Ang H4.NE2 and V22.CG1 other bump:1.99642 Ang G1.O and H4.NE2 other bump:2.24837 Ang G1.C and H4.NE2 other bump:1.26553 Ang G1.O and H4.CE1 other bump:0.945856 Ang G1.C and H4.CE1 other bump:2.26229 Ang L2.N and H4.CE1 other bump:1.54354 Ang G1.O and H4.ND1 other bump:1.42982 Ang G1.C and H4.ND1 other bump:2.449 Ang L2.N and H4.ND1 other bump:2.54864 Ang G1.O and H4.CD2 other bump:3.02212 Ang G1.C and H4.CD2 other bump:2.34 Ang G1.O and H4.CG other bump:2.69214 Ang G1.C and H4.CG T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHL 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNWC Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:1.93188 Ang P16.O and M21.CE other bump:2.44039 Ang P16.C and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 3 total=952 Number of alignments=106 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1ezvD read from T0180-1ezvD-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1ezvD in template set T0180 1 :MV 1ezvD 62 :MT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0180 3 :GRRPGGGLKDTKPVVVRLYPDEIEALKSRVPANTSM 1ezvD 144 :PKKRPGKLSDYIPGPYPNEQAARAANQGALPPDLSL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.73153 Ang L27.CD1 and P32.CD other bump:2.18722 Ang L27.CD1 and P32.CG other bump:3.0179 Ang I24.CG2 and S29.C other bump:2.85168 Ang I24.CG2 and S29.CA other bump:2.60146 Ang V17.CB and E23.CG other bump:2.65372 Ang V17.CG1 and E23.CG other bump:2.56384 Ang V17.CG2 and E23.CG other bump:2.61043 Ang L19.CD2 and P21.CB other bump:2.51848 Ang V17.CG1 and L19.O T0180 39 :SAYIRRIILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDT 1ezvD 187 :GCDYIFSLLTGYPDEPPAGVALPPGSNYNPYFPGGSIAMA Fragment has 82 clashes (null) has 82 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues neighbor-bump: 2.35017 Ang D40.OD1 and T41.O other bump:2.9562 Ang R33.NH2 and L38.C other bump:2.57177 Ang R33.CZ and L38.CD2 other bump:2.94904 Ang R33.NH1 and L38.CD2 other bump:1.58969 Ang R33.NE and L38.CD2 other bump:3.07946 Ang R33.CB and L38.CD2 other bump:2.18089 Ang R33.CG and L38.CD2 other bump:0.688222 Ang R33.CD and L38.CD2 other bump:2.42283 Ang R33.NE and L38.CD1 other bump:2.62865 Ang R33.CB and L38.CD1 other bump:2.44276 Ang R33.CD and L38.CD1 other bump:0.97496 Ang R33.NE and L38.CG other bump:2.8728 Ang R33.CB and L38.CG other bump:2.65557 Ang R33.CG and L38.CG other bump:1.53655 Ang R33.CD and L38.CG other bump:2.42815 Ang R33.CZ and L38.CB other bump:2.6413 Ang R33.NH2 and L38.CB other bump:1.80801 Ang R33.NE and L38.CB other bump:2.79241 Ang R33.CD and L38.CB other bump:1.88489 Ang R33.CZ and L38.CA other bump:1.75329 Ang R33.NH2 and L38.CA other bump:2.22751 Ang R33.NE and L38.CA other bump:1.72669 Ang R33.CZ and L38.N other bump:2.71906 Ang R33.NH1 and L38.N other bump:0.57874 Ang R33.NH2 and L38.N other bump:2.54679 Ang R33.NE and L38.N other bump:1.72067 Ang R33.CZ and G37.C other bump:2.11985 Ang R33.NH1 and G37.C other bump:0.946337 Ang R33.NH2 and G37.C other bump:2.96952 Ang R33.NE and G37.C other bump:1.87314 Ang R33.CZ and G37.O other bump:1.41857 Ang R33.NH1 and G37.O other bump:1.89521 Ang R33.NH2 and G37.O other bump:2.96499 Ang R33.CZ and G37.CA other bump:2.11099 Ang R33.NH2 and G37.CA other bump:2.85101 Ang I8.CG2 and R32.NH2 other bump:1.82861 Ang I8.CA and R32.NH1 other bump:2.37755 Ang I8.C and R32.NH1 other bump:1.7421 Ang I8.CG2 and R32.NH1 other bump:1.94689 Ang I8.CB and R32.NH1 other bump:2.67741 Ang I8.CG1 and R32.NH1 other bump:3.06606 Ang I8.CA and R32.CZ other bump:1.64326 Ang I8.CG2 and R32.CZ other bump:2.65031 Ang I8.CB and R32.CZ other bump:3.21894 Ang I8.CG1 and R32.CZ other bump:1.50672 Ang I8.CG2 and R32.NE other bump:3.09285 Ang I8.C and R32.CD other bump:1.62265 Ang I8.CG2 and R32.CD other bump:2.8507 Ang I8.CB and R32.CD other bump:2.87347 Ang I8.CG2 and R32.CG other bump:2.87197 Ang L13.CD2 and V30.CG2 other bump:2.57378 Ang H12.NE2 and V30.CG1 other bump:2.06638 Ang H12.CD2 and V30.CG1 other bump:1.99642 Ang I9.O and H12.NE2 other bump:2.24837 Ang I9.C and H12.NE2 other bump:1.99657 Ang I9.CA and H12.NE2 other bump:2.56984 Ang I9.CB and H12.NE2 other bump:2.39453 Ang I9.CG2 and H12.NE2 other bump:3.07889 Ang I8.C and H12.CE1 other bump:1.26553 Ang I9.O and H12.CE1 other bump:0.945856 Ang I9.C and H12.CE1 other bump:2.26229 Ang L10.N and H12.CE1 other bump:1.20329 Ang I9.CA and H12.CE1 other bump:2.22145 Ang I9.CB and H12.CE1 other bump:2.48107 Ang I9.N and H12.CE1 other bump:2.43994 Ang I9.CG2 and H12.CE1 other bump:1.76887 Ang I8.O and H12.ND1 other bump:2.31264 Ang I8.C and H12.ND1 other bump:1.54354 Ang I9.O and H12.ND1 other bump:1.42982 Ang I9.C and H12.ND1 other bump:2.449 Ang L10.N and H12.ND1 other bump:1.78683 Ang I9.CA and H12.ND1 other bump:2.34003 Ang I9.N and H12.ND1 other bump:2.54864 Ang I9.O and H12.CD2 other bump:3.02212 Ang I9.C and H12.CD2 other bump:2.7561 Ang I9.CA and H12.CD2 other bump:2.06965 Ang I8.O and H12.CG other bump:2.92716 Ang I8.C and H12.CG other bump:2.34 Ang I9.O and H12.CG other bump:2.69214 Ang I9.C and H12.CG other bump:2.66993 Ang I9.CA and H12.CG other bump:2.19861 Ang I8.O and H12.CB T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHLEDD 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAEP Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.81313 Ang H32.C and D36.OD1 other bump:1.768 Ang H32.O and D36.OD1 self-bump: 1.39851 Ang D36.CA and D36.CB other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:2.44039 Ang P16.C and M21.CE other bump:1.93188 Ang P16.O and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 4 total=956 Number of alignments=107 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1ezvD read from T0180-1ezvD-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1ezvD in template set T0180 1 :MV 1ezvD 62 :MT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0180 4 :RRPGGGLKDTK 1ezvD 145 :KKRPGKLSDYI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0180 18 :VRLYPDEIEALKSR 1ezvD 156 :PGPYPNEQAARAAN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.86319 Ang Y5.CE2 and S14.OG other bump:2.96244 Ang Y5.CZ and S14.OG T0180 32 :VPANTSMSAYIRRI 1ezvD 181 :VKARHGGCDYIFSL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.54953 Ang Y11.CE1 and I15.CD1 other bump:2.46176 Ang Y11.CE2 and I15.CD1 other bump:2.08913 Ang Y11.CZ and I15.CD1 other bump:2.49762 Ang Y11.OH and I15.CD1 other bump:2.85362 Ang S7.CB and Y11.CB self-bump: 2.20547 Ang M8.CB and M8.C other bump:1.98743 Ang V2.CG1 and M8.CE other bump:2.44066 Ang V2.O and M8.CG self-bump: 1.30072 Ang M8.CA and M8.CB neighbor-bump: 2.09153 Ang T6.O and S7.CB neighbor-bump: 2.52585 Ang T6.C and S7.CB T0180 47 :LNHLEDDGGGGGGGGGGGGMVGRRPGGGLKD 1ezvD 195 :LTGYPDEPPAGVALPPGSNYNPYFPGGSIAM Fragment has 49 clashes (null) has 49 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.9562 Ang R25.NH2 and L30.C other bump:2.18089 Ang R25.CG and L30.CD2 other bump:1.58969 Ang R25.NE and L30.CD2 other bump:2.57177 Ang R25.CZ and L30.CD2 other bump:2.94904 Ang R25.NH1 and L30.CD2 other bump:3.07946 Ang R25.CB and L30.CD2 other bump:0.688222 Ang R25.CD and L30.CD2 other bump:2.42283 Ang R25.NE and L30.CD1 other bump:2.62865 Ang R25.CB and L30.CD1 other bump:2.44276 Ang R25.CD and L30.CD1 other bump:2.65557 Ang R25.CG and L30.CG other bump:0.97496 Ang R25.NE and L30.CG other bump:2.8728 Ang R25.CB and L30.CG other bump:1.53655 Ang R25.CD and L30.CG other bump:1.80801 Ang R25.NE and L30.CB other bump:2.42815 Ang R25.CZ and L30.CB other bump:2.6413 Ang R25.NH2 and L30.CB other bump:2.79241 Ang R25.CD and L30.CB other bump:2.22751 Ang R25.NE and L30.CA other bump:1.88489 Ang R25.CZ and L30.CA other bump:1.75329 Ang R25.NH2 and L30.CA other bump:2.54679 Ang R25.NE and L30.N other bump:1.72669 Ang R25.CZ and L30.N other bump:2.71906 Ang R25.NH1 and L30.N other bump:0.57874 Ang R25.NH2 and L30.N other bump:2.96952 Ang R25.NE and G29.C other bump:1.72067 Ang R25.CZ and G29.C other bump:2.11985 Ang R25.NH1 and G29.C other bump:0.946337 Ang R25.NH2 and G29.C other bump:1.87314 Ang R25.CZ and G29.O other bump:1.41857 Ang R25.NH1 and G29.O other bump:1.89521 Ang R25.NH2 and G29.O other bump:2.96499 Ang R25.CZ and G29.CA other bump:2.11099 Ang R25.NH2 and G29.CA other bump:2.87197 Ang L5.CD2 and V22.CG2 other bump:2.06638 Ang H4.CD2 and V22.CG1 other bump:2.57378 Ang H4.NE2 and V22.CG1 other bump:1.99642 Ang G1.O and H4.NE2 other bump:2.24837 Ang G1.C and H4.NE2 other bump:1.26553 Ang G1.O and H4.CE1 other bump:0.945856 Ang G1.C and H4.CE1 other bump:2.26229 Ang L2.N and H4.CE1 other bump:1.54354 Ang G1.O and H4.ND1 other bump:1.42982 Ang G1.C and H4.ND1 other bump:2.449 Ang L2.N and H4.ND1 other bump:2.54864 Ang G1.O and H4.CD2 other bump:3.02212 Ang G1.C and H4.CD2 other bump:2.34 Ang G1.O and H4.CG other bump:2.69214 Ang G1.C and H4.CG T0180 83 :VRLYPDEIEALKSRVPANTSMSAYIRRIILNHLEDD 1ezvD 226 :ARVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAEP Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.81313 Ang H33.C and D37.OD1 other bump:1.768 Ang H33.O and D37.OD1 self-bump: 1.39851 Ang D37.CA and D37.CB other bump:3.0542 Ang Y25.CE2 and I29.CD1 other bump:2.5086 Ang Y5.CD2 and R27.NH2 other bump:1.19264 Ang Y5.CE2 and R27.NH2 other bump:1.85197 Ang Y5.CZ and R27.NH2 other bump:2.13565 Ang Y5.OH and R27.NH2 other bump:2.22255 Ang Y5.CE1 and R27.NH1 other bump:2.23501 Ang Y5.CE2 and R27.NH1 other bump:1.59073 Ang Y5.CZ and R27.NH1 other bump:1.87569 Ang Y5.OH and R27.NH1 other bump:2.98321 Ang Y5.CE1 and R27.CZ other bump:1.95991 Ang Y5.CE2 and R27.CZ other bump:1.75706 Ang Y5.CZ and R27.CZ other bump:1.56076 Ang Y5.OH and R27.CZ other bump:2.92438 Ang Y5.CZ and R27.NE other bump:2.11465 Ang Y5.OH and R27.NE other bump:2.89393 Ang Y5.OH and R27.CD other bump:2.44039 Ang P17.C and M22.CE other bump:1.93188 Ang P17.O and M22.CE other bump:2.73459 Ang A18.N and M22.CE other bump:2.55387 Ang A18.CA and M22.CE other bump:2.15451 Ang P17.O and M22.SD other bump:2.77607 Ang V16.CG2 and M22.SD other bump:2.71861 Ang N19.OD1 and M22.CB other bump:2.29397 Ang L12.CD1 and V16.CG1 other bump:2.97764 Ang L12.CB and V16.CG1 other bump:2.81208 Ang L12.CG and V16.CG1 neighbor-bump: 2.49797 Ang S14.C and R15.CG neighbor-bump: 2.28427 Ang S14.O and R15.CG neighbor-bump: 2.56419 Ang S14.C and R15.CB neighbor-bump: 2.21991 Ang S14.O and R15.CB neighbor-bump: 2.01508 Ang Y5.C and P6.CD Number of specific fragments= 6 total=962 Number of alignments=108 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1ezvD read from T0180-1ezvD-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1ezvD in template set T0180 46 :ILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDT 1ezvD 194 :LLTGYPDEPPAGVALPPGSNYNPYFPGGSIAMA Fragment has 73 clashes (null) has 73 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.35017 Ang D33.OD1 and T34.O other bump:2.9562 Ang R26.NH2 and L31.C other bump:2.18089 Ang R26.CG and L31.CD2 other bump:1.58969 Ang R26.NE and L31.CD2 other bump:2.57177 Ang R26.CZ and L31.CD2 other bump:2.94904 Ang R26.NH1 and L31.CD2 other bump:3.07946 Ang R26.CB and L31.CD2 other bump:0.688222 Ang R26.CD and L31.CD2 other bump:2.42283 Ang R26.NE and L31.CD1 other bump:2.62865 Ang R26.CB and L31.CD1 other bump:2.44276 Ang R26.CD and L31.CD1 other bump:2.65557 Ang R26.CG and L31.CG other bump:0.97496 Ang R26.NE and L31.CG other bump:2.8728 Ang R26.CB and L31.CG other bump:1.53655 Ang R26.CD and L31.CG other bump:1.80801 Ang R26.NE and L31.CB other bump:2.42815 Ang R26.CZ and L31.CB other bump:2.6413 Ang R26.NH2 and L31.CB other bump:2.79241 Ang R26.CD and L31.CB other bump:2.22751 Ang R26.NE and L31.CA other bump:1.88489 Ang R26.CZ and L31.CA other bump:1.75329 Ang R26.NH2 and L31.CA other bump:2.54679 Ang R26.NE and L31.N other bump:1.72669 Ang R26.CZ and L31.N other bump:2.71906 Ang R26.NH1 and L31.N other bump:0.57874 Ang R26.NH2 and L31.N other bump:2.96952 Ang R26.NE and G30.C other bump:1.72067 Ang R26.CZ and G30.C other bump:2.11985 Ang R26.NH1 and G30.C other bump:0.946337 Ang R26.NH2 and G30.C other bump:1.87314 Ang R26.CZ and G30.O other bump:1.41857 Ang R26.NH1 and G30.O other bump:1.89521 Ang R26.NH2 and G30.O other bump:2.96499 Ang R26.CZ and G30.CA other bump:2.11099 Ang R26.NH2 and G30.CA other bump:2.37755 Ang G1.C and R25.NH1 other bump:3.09285 Ang G1.C and R25.CD other bump:2.87197 Ang L6.CD2 and V23.CG2 other bump:2.39517 Ang I2.CD1 and V23.CG1 other bump:2.06638 Ang H5.CD2 and V23.CG1 other bump:2.57378 Ang H5.NE2 and V23.CG1 other bump:1.71408 Ang I2.CD1 and H5.NE2 other bump:1.99657 Ang I2.CA and H5.NE2 other bump:2.3592 Ang I2.CB and H5.NE2 other bump:1.97067 Ang I2.CG1 and H5.NE2 other bump:1.99642 Ang I2.O and H5.NE2 other bump:2.24837 Ang I2.C and H5.NE2 other bump:3.07889 Ang G1.C and H5.CE1 other bump:2.83659 Ang I2.CD1 and H5.CE1 other bump:1.20329 Ang I2.CA and H5.CE1 other bump:2.09331 Ang I2.CB and H5.CE1 other bump:2.38572 Ang I2.CG1 and H5.CE1 other bump:1.26553 Ang I2.O and H5.CE1 other bump:0.945856 Ang I2.C and H5.CE1 other bump:2.26229 Ang L3.N and H5.CE1 other bump:2.48107 Ang I2.N and H5.CE1 other bump:1.76887 Ang G1.O and H5.ND1 other bump:2.31264 Ang G1.C and H5.ND1 other bump:1.78683 Ang I2.CA and H5.ND1 other bump:1.54354 Ang I2.O and H5.ND1 other bump:1.42982 Ang I2.C and H5.ND1 other bump:2.449 Ang L3.N and H5.ND1 other bump:2.34003 Ang I2.N and H5.ND1 other bump:2.51837 Ang I2.CD1 and H5.CD2 other bump:2.7561 Ang I2.CA and H5.CD2 other bump:2.54864 Ang I2.O and H5.CD2 other bump:3.02212 Ang I2.C and H5.CD2 other bump:2.06965 Ang G1.O and H5.CG other bump:2.92716 Ang G1.C and H5.CG other bump:2.66993 Ang I2.CA and H5.CG other bump:2.34 Ang I2.O and H5.CG other bump:2.69214 Ang I2.C and H5.CG other bump:2.19861 Ang G1.O and H5.CB T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHLEDD 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAEP Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.81313 Ang H32.C and D36.OD1 other bump:1.768 Ang H32.O and D36.OD1 self-bump: 1.39851 Ang D36.CA and D36.CB other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:2.44039 Ang P16.C and M21.CE other bump:1.93188 Ang P16.O and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 2 total=964 Number of alignments=109 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1ezvD read from T0180-1ezvD-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1ezvD in template set T0180 28 :LKSRVPANTSMSAYIRRII 1ezvD 177 :LSLIVKARHGGCDYIFSLL Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.08913 Ang Y15.CZ and I19.CD1 other bump:2.49762 Ang Y15.OH and I19.CD1 other bump:2.54953 Ang Y15.CE1 and I19.CD1 other bump:2.46176 Ang Y15.CE2 and I19.CD1 other bump:2.85362 Ang S11.CB and Y15.CB self-bump: 2.20547 Ang M12.CB and M12.C other bump:1.98743 Ang V6.CG1 and M12.CE other bump:2.44066 Ang V6.O and M12.CG self-bump: 1.30072 Ang M12.CA and M12.CB neighbor-bump: 2.09153 Ang T10.O and S11.CB neighbor-bump: 2.52585 Ang T10.C and S11.CB other bump:2.05854 Ang L2.CD2 and R5.NH1 other bump:2.06367 Ang L2.CD1 and R5.NH1 other bump:2.48518 Ang L2.CG and R5.NH1 other bump:1.83731 Ang L2.CD2 and R5.CZ other bump:2.99101 Ang L2.CG and R5.CZ other bump:1.44973 Ang L2.CD2 and R5.NE other bump:2.93814 Ang L2.CG and R5.NE other bump:1.36324 Ang L2.CD2 and R5.CD other bump:2.41082 Ang L2.CG and R5.CD other bump:2.50589 Ang L2.CA and R5.CD other bump:2.61776 Ang L2.CB and R5.CD other bump:2.90217 Ang L2.CA and R5.CG T0180 48 :NHLEDDGGGGGGGGGGGGMVGRRPGGGLKD 1ezvD 196 :TGYPDEPPAGVALPPGSNYNPYFPGGSIAM Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.9562 Ang R24.NH2 and L29.C other bump:2.18089 Ang R24.CG and L29.CD2 other bump:1.58969 Ang R24.NE and L29.CD2 other bump:2.57177 Ang R24.CZ and L29.CD2 other bump:2.94904 Ang R24.NH1 and L29.CD2 other bump:3.07946 Ang R24.CB and L29.CD2 other bump:0.688222 Ang R24.CD and L29.CD2 other bump:2.42283 Ang R24.NE and L29.CD1 other bump:2.62865 Ang R24.CB and L29.CD1 other bump:2.44276 Ang R24.CD and L29.CD1 other bump:2.65557 Ang R24.CG and L29.CG other bump:0.97496 Ang R24.NE and L29.CG other bump:2.8728 Ang R24.CB and L29.CG other bump:1.53655 Ang R24.CD and L29.CG other bump:1.80801 Ang R24.NE and L29.CB other bump:2.42815 Ang R24.CZ and L29.CB other bump:2.6413 Ang R24.NH2 and L29.CB other bump:2.79241 Ang R24.CD and L29.CB other bump:2.22751 Ang R24.NE and L29.CA other bump:1.88489 Ang R24.CZ and L29.CA other bump:1.75329 Ang R24.NH2 and L29.CA other bump:2.54679 Ang R24.NE and L29.N other bump:1.72669 Ang R24.CZ and L29.N other bump:2.71906 Ang R24.NH1 and L29.N other bump:0.57874 Ang R24.NH2 and L29.N other bump:2.96952 Ang R24.NE and G28.C other bump:1.72067 Ang R24.CZ and G28.C other bump:2.11985 Ang R24.NH1 and G28.C other bump:0.946337 Ang R24.NH2 and G28.C other bump:1.87314 Ang R24.CZ and G28.O other bump:1.41857 Ang R24.NH1 and G28.O other bump:1.89521 Ang R24.NH2 and G28.O other bump:2.96499 Ang R24.CZ and G28.CA other bump:2.11099 Ang R24.NH2 and G28.CA other bump:2.87197 Ang L4.CD2 and V21.CG2 other bump:2.06638 Ang H3.CD2 and V21.CG1 other bump:2.57378 Ang H3.NE2 and V21.CG1 T0180 83 :VRLYPDEIEALKSRVPANTSMSAYIRRIILNHLED 1ezvD 226 :ARVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAE Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:3.0542 Ang Y25.CE2 and I29.CD1 other bump:2.5086 Ang Y5.CD2 and R27.NH2 other bump:1.19264 Ang Y5.CE2 and R27.NH2 other bump:1.85197 Ang Y5.CZ and R27.NH2 other bump:2.13565 Ang Y5.OH and R27.NH2 other bump:2.23501 Ang Y5.CE2 and R27.NH1 other bump:2.22255 Ang Y5.CE1 and R27.NH1 other bump:1.59073 Ang Y5.CZ and R27.NH1 other bump:1.87569 Ang Y5.OH and R27.NH1 other bump:1.95991 Ang Y5.CE2 and R27.CZ other bump:2.98321 Ang Y5.CE1 and R27.CZ other bump:1.75706 Ang Y5.CZ and R27.CZ other bump:1.56076 Ang Y5.OH and R27.CZ other bump:2.92438 Ang Y5.CZ and R27.NE other bump:2.11465 Ang Y5.OH and R27.NE other bump:2.89393 Ang Y5.OH and R27.CD other bump:1.93188 Ang P17.O and M22.CE other bump:2.44039 Ang P17.C and M22.CE other bump:2.73459 Ang A18.N and M22.CE other bump:2.55387 Ang A18.CA and M22.CE other bump:2.15451 Ang P17.O and M22.SD other bump:2.77607 Ang V16.CG2 and M22.SD other bump:2.71861 Ang N19.OD1 and M22.CB other bump:2.29397 Ang L12.CD1 and V16.CG1 other bump:2.97764 Ang L12.CB and V16.CG1 other bump:2.81208 Ang L12.CG and V16.CG1 neighbor-bump: 2.28427 Ang S14.O and R15.CG neighbor-bump: 2.49797 Ang S14.C and R15.CG neighbor-bump: 2.21991 Ang S14.O and R15.CB neighbor-bump: 2.56419 Ang S14.C and R15.CB neighbor-bump: 2.01508 Ang Y5.C and P6.CD Number of specific fragments= 3 total=967 Number of alignments=110 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1ezvD read from T0180-1ezvD-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1ezvD in template set T0180 1 :MV 1ezvD 62 :MT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0180 3 :GRRPGGGLKDTKP 1ezvD 144 :PKKRPGKLSDYIP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0180 19 :RLYPDEIEALKSR 1ezvD 157 :GPYPNEQAARAAN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.86319 Ang Y4.CE2 and S13.OG other bump:2.96244 Ang Y4.CZ and S13.OG T0180 32 :VPANTSMSAYIRRI 1ezvD 181 :VKARHGGCDYIFSL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.54953 Ang Y11.CE1 and I15.CD1 other bump:2.46176 Ang Y11.CE2 and I15.CD1 other bump:2.08913 Ang Y11.CZ and I15.CD1 other bump:2.49762 Ang Y11.OH and I15.CD1 other bump:2.85362 Ang S7.CB and Y11.CB self-bump: 2.20547 Ang M8.CB and M8.C other bump:1.98743 Ang V2.CG1 and M8.CE other bump:2.44066 Ang V2.O and M8.CG self-bump: 1.30072 Ang M8.CA and M8.CB neighbor-bump: 2.09153 Ang T6.O and S7.CB neighbor-bump: 2.52585 Ang T6.C and S7.CB T0180 47 :LNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDT 1ezvD 195 :LTGYPDEPPAGVALPPGSNYNPYFPGGSIAMA Fragment has 50 clashes (null) has 50 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.35017 Ang D32.OD1 and T33.O other bump:2.9562 Ang R25.NH2 and L30.C other bump:2.18089 Ang R25.CG and L30.CD2 other bump:1.58969 Ang R25.NE and L30.CD2 other bump:2.57177 Ang R25.CZ and L30.CD2 other bump:2.94904 Ang R25.NH1 and L30.CD2 other bump:3.07946 Ang R25.CB and L30.CD2 other bump:0.688222 Ang R25.CD and L30.CD2 other bump:2.42283 Ang R25.NE and L30.CD1 other bump:2.62865 Ang R25.CB and L30.CD1 other bump:2.44276 Ang R25.CD and L30.CD1 other bump:2.65557 Ang R25.CG and L30.CG other bump:0.97496 Ang R25.NE and L30.CG other bump:2.8728 Ang R25.CB and L30.CG other bump:1.53655 Ang R25.CD and L30.CG other bump:1.80801 Ang R25.NE and L30.CB other bump:2.42815 Ang R25.CZ and L30.CB other bump:2.6413 Ang R25.NH2 and L30.CB other bump:2.79241 Ang R25.CD and L30.CB other bump:2.22751 Ang R25.NE and L30.CA other bump:1.88489 Ang R25.CZ and L30.CA other bump:1.75329 Ang R25.NH2 and L30.CA other bump:2.54679 Ang R25.NE and L30.N other bump:1.72669 Ang R25.CZ and L30.N other bump:2.71906 Ang R25.NH1 and L30.N other bump:0.57874 Ang R25.NH2 and L30.N other bump:2.96952 Ang R25.NE and G29.C other bump:1.72067 Ang R25.CZ and G29.C other bump:2.11985 Ang R25.NH1 and G29.C other bump:0.946337 Ang R25.NH2 and G29.C other bump:1.87314 Ang R25.CZ and G29.O other bump:1.41857 Ang R25.NH1 and G29.O other bump:1.89521 Ang R25.NH2 and G29.O other bump:2.96499 Ang R25.CZ and G29.CA other bump:2.11099 Ang R25.NH2 and G29.CA other bump:2.87197 Ang L5.CD2 and V22.CG2 other bump:2.06638 Ang H4.CD2 and V22.CG1 other bump:2.57378 Ang H4.NE2 and V22.CG1 other bump:1.99642 Ang G1.O and H4.NE2 other bump:2.24837 Ang G1.C and H4.NE2 other bump:1.26553 Ang G1.O and H4.CE1 other bump:0.945856 Ang G1.C and H4.CE1 other bump:2.26229 Ang L2.N and H4.CE1 other bump:1.54354 Ang G1.O and H4.ND1 other bump:1.42982 Ang G1.C and H4.ND1 other bump:2.449 Ang L2.N and H4.ND1 other bump:2.54864 Ang G1.O and H4.CD2 other bump:3.02212 Ang G1.C and H4.CD2 other bump:2.34 Ang G1.O and H4.CG other bump:2.69214 Ang G1.C and H4.CG T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHLEDD 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAEP Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.81313 Ang H32.C and D36.OD1 other bump:1.768 Ang H32.O and D36.OD1 self-bump: 1.39851 Ang D36.CA and D36.CB other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:2.44039 Ang P16.C and M21.CE other bump:1.93188 Ang P16.O and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 6 total=973 Number of alignments=111 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1ezvD read from T0180-1ezvD-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1ezvD in template set T0180 1 :MV 1ezvD 62 :MT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0180 8 :GGLKDTKP 1ezvD 141 :QGNPKKRP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0180 16 :VVVRLYPDEIEALKSR 1ezvD 154 :YIPGPYPNEQAARAAN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.86319 Ang Y7.CE2 and S16.OG other bump:2.96244 Ang Y7.CZ and S16.OG T0180 32 :VPANTSM 1ezvD 173 :LPPDLSL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0180 39 :SAYIRR 1ezvD 188 :CDYIFS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0180 46 :ILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDT 1ezvD 194 :LLTGYPDEPPAGVALPPGSNYNPYFPGGSIAMA Fragment has 73 clashes (null) has 73 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.35017 Ang D33.OD1 and T34.O other bump:2.9562 Ang R26.NH2 and L31.C other bump:2.18089 Ang R26.CG and L31.CD2 other bump:1.58969 Ang R26.NE and L31.CD2 other bump:2.57177 Ang R26.CZ and L31.CD2 other bump:2.94904 Ang R26.NH1 and L31.CD2 other bump:3.07946 Ang R26.CB and L31.CD2 other bump:0.688222 Ang R26.CD and L31.CD2 other bump:2.42283 Ang R26.NE and L31.CD1 other bump:2.62865 Ang R26.CB and L31.CD1 other bump:2.44276 Ang R26.CD and L31.CD1 other bump:2.65557 Ang R26.CG and L31.CG other bump:0.97496 Ang R26.NE and L31.CG other bump:2.8728 Ang R26.CB and L31.CG other bump:1.53655 Ang R26.CD and L31.CG other bump:1.80801 Ang R26.NE and L31.CB other bump:2.42815 Ang R26.CZ and L31.CB other bump:2.6413 Ang R26.NH2 and L31.CB other bump:2.79241 Ang R26.CD and L31.CB other bump:2.22751 Ang R26.NE and L31.CA other bump:1.88489 Ang R26.CZ and L31.CA other bump:1.75329 Ang R26.NH2 and L31.CA other bump:2.54679 Ang R26.NE and L31.N other bump:1.72669 Ang R26.CZ and L31.N other bump:2.71906 Ang R26.NH1 and L31.N other bump:0.57874 Ang R26.NH2 and L31.N other bump:2.96952 Ang R26.NE and G30.C other bump:1.72067 Ang R26.CZ and G30.C other bump:2.11985 Ang R26.NH1 and G30.C other bump:0.946337 Ang R26.NH2 and G30.C other bump:1.87314 Ang R26.CZ and G30.O other bump:1.41857 Ang R26.NH1 and G30.O other bump:1.89521 Ang R26.NH2 and G30.O other bump:2.96499 Ang R26.CZ and G30.CA other bump:2.11099 Ang R26.NH2 and G30.CA other bump:2.37755 Ang G1.C and R25.NH1 other bump:3.09285 Ang G1.C and R25.CD other bump:2.87197 Ang L6.CD2 and V23.CG2 other bump:2.39517 Ang I2.CD1 and V23.CG1 other bump:2.06638 Ang H5.CD2 and V23.CG1 other bump:2.57378 Ang H5.NE2 and V23.CG1 other bump:1.71408 Ang I2.CD1 and H5.NE2 other bump:1.99657 Ang I2.CA and H5.NE2 other bump:2.3592 Ang I2.CB and H5.NE2 other bump:1.97067 Ang I2.CG1 and H5.NE2 other bump:1.99642 Ang I2.O and H5.NE2 other bump:2.24837 Ang I2.C and H5.NE2 other bump:3.07889 Ang G1.C and H5.CE1 other bump:2.83659 Ang I2.CD1 and H5.CE1 other bump:1.20329 Ang I2.CA and H5.CE1 other bump:2.09331 Ang I2.CB and H5.CE1 other bump:2.38572 Ang I2.CG1 and H5.CE1 other bump:1.26553 Ang I2.O and H5.CE1 other bump:0.945856 Ang I2.C and H5.CE1 other bump:2.26229 Ang L3.N and H5.CE1 other bump:2.48107 Ang I2.N and H5.CE1 other bump:1.76887 Ang G1.O and H5.ND1 other bump:2.31264 Ang G1.C and H5.ND1 other bump:1.78683 Ang I2.CA and H5.ND1 other bump:1.54354 Ang I2.O and H5.ND1 other bump:1.42982 Ang I2.C and H5.ND1 other bump:2.449 Ang L3.N and H5.ND1 other bump:2.34003 Ang I2.N and H5.ND1 other bump:2.51837 Ang I2.CD1 and H5.CD2 other bump:2.7561 Ang I2.CA and H5.CD2 other bump:2.54864 Ang I2.O and H5.CD2 other bump:3.02212 Ang I2.C and H5.CD2 other bump:2.06965 Ang G1.O and H5.CG other bump:2.92716 Ang G1.C and H5.CG other bump:2.66993 Ang I2.CA and H5.CG other bump:2.34 Ang I2.O and H5.CG other bump:2.69214 Ang I2.C and H5.CG other bump:2.19861 Ang G1.O and H5.CB T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHLED 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAE Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:1.93188 Ang P16.O and M21.CE other bump:2.44039 Ang P16.C and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 7 total=980 Number of alignments=112 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1ezvD read from T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1ezvD in template set T0180 46 :ILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDT 1ezvD 194 :LLTGYPDEPPAGVALPPGSNYNPYFPGGSIAMA Fragment has 73 clashes (null) has 73 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.35017 Ang D33.OD1 and T34.O other bump:2.9562 Ang R26.NH2 and L31.C other bump:2.18089 Ang R26.CG and L31.CD2 other bump:1.58969 Ang R26.NE and L31.CD2 other bump:2.57177 Ang R26.CZ and L31.CD2 other bump:2.94904 Ang R26.NH1 and L31.CD2 other bump:3.07946 Ang R26.CB and L31.CD2 other bump:0.688222 Ang R26.CD and L31.CD2 other bump:2.42283 Ang R26.NE and L31.CD1 other bump:2.62865 Ang R26.CB and L31.CD1 other bump:2.44276 Ang R26.CD and L31.CD1 other bump:2.65557 Ang R26.CG and L31.CG other bump:0.97496 Ang R26.NE and L31.CG other bump:2.8728 Ang R26.CB and L31.CG other bump:1.53655 Ang R26.CD and L31.CG other bump:1.80801 Ang R26.NE and L31.CB other bump:2.42815 Ang R26.CZ and L31.CB other bump:2.6413 Ang R26.NH2 and L31.CB other bump:2.79241 Ang R26.CD and L31.CB other bump:2.22751 Ang R26.NE and L31.CA other bump:1.88489 Ang R26.CZ and L31.CA other bump:1.75329 Ang R26.NH2 and L31.CA other bump:2.54679 Ang R26.NE and L31.N other bump:1.72669 Ang R26.CZ and L31.N other bump:2.71906 Ang R26.NH1 and L31.N other bump:0.57874 Ang R26.NH2 and L31.N other bump:2.96952 Ang R26.NE and G30.C other bump:1.72067 Ang R26.CZ and G30.C other bump:2.11985 Ang R26.NH1 and G30.C other bump:0.946337 Ang R26.NH2 and G30.C other bump:1.87314 Ang R26.CZ and G30.O other bump:1.41857 Ang R26.NH1 and G30.O other bump:1.89521 Ang R26.NH2 and G30.O other bump:2.96499 Ang R26.CZ and G30.CA other bump:2.11099 Ang R26.NH2 and G30.CA other bump:2.37755 Ang G1.C and R25.NH1 other bump:3.09285 Ang G1.C and R25.CD other bump:2.87197 Ang L6.CD2 and V23.CG2 other bump:2.39517 Ang I2.CD1 and V23.CG1 other bump:2.06638 Ang H5.CD2 and V23.CG1 other bump:2.57378 Ang H5.NE2 and V23.CG1 other bump:1.71408 Ang I2.CD1 and H5.NE2 other bump:1.99657 Ang I2.CA and H5.NE2 other bump:2.3592 Ang I2.CB and H5.NE2 other bump:1.97067 Ang I2.CG1 and H5.NE2 other bump:1.99642 Ang I2.O and H5.NE2 other bump:2.24837 Ang I2.C and H5.NE2 other bump:3.07889 Ang G1.C and H5.CE1 other bump:2.83659 Ang I2.CD1 and H5.CE1 other bump:1.20329 Ang I2.CA and H5.CE1 other bump:2.09331 Ang I2.CB and H5.CE1 other bump:2.38572 Ang I2.CG1 and H5.CE1 other bump:1.26553 Ang I2.O and H5.CE1 other bump:0.945856 Ang I2.C and H5.CE1 other bump:2.26229 Ang L3.N and H5.CE1 other bump:2.48107 Ang I2.N and H5.CE1 other bump:1.76887 Ang G1.O and H5.ND1 other bump:2.31264 Ang G1.C and H5.ND1 other bump:1.78683 Ang I2.CA and H5.ND1 other bump:1.54354 Ang I2.O and H5.ND1 other bump:1.42982 Ang I2.C and H5.ND1 other bump:2.449 Ang L3.N and H5.ND1 other bump:2.34003 Ang I2.N and H5.ND1 other bump:2.51837 Ang I2.CD1 and H5.CD2 other bump:2.7561 Ang I2.CA and H5.CD2 other bump:2.54864 Ang I2.O and H5.CD2 other bump:3.02212 Ang I2.C and H5.CD2 other bump:2.06965 Ang G1.O and H5.CG other bump:2.92716 Ang G1.C and H5.CG other bump:2.66993 Ang I2.CA and H5.CG other bump:2.34 Ang I2.O and H5.CG other bump:2.69214 Ang I2.C and H5.CG other bump:2.19861 Ang G1.O and H5.CB T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHLED 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAE Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:1.93188 Ang P16.O and M21.CE other bump:2.44039 Ang P16.C and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 2 total=982 Number of alignments=113 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1ezvD read from T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1ezvD in template set T0180 29 :KSRVPANTSMSAYIRRI 1ezvD 178 :SLIVKARHGGCDYIFSL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.54953 Ang Y14.CE1 and I18.CD1 other bump:2.46176 Ang Y14.CE2 and I18.CD1 other bump:2.08913 Ang Y14.CZ and I18.CD1 other bump:2.49762 Ang Y14.OH and I18.CD1 other bump:2.85362 Ang S10.CB and Y14.CB self-bump: 2.20547 Ang M11.CB and M11.C other bump:1.98743 Ang V5.CG1 and M11.CE other bump:2.44066 Ang V5.O and M11.CG self-bump: 1.30072 Ang M11.CA and M11.CB neighbor-bump: 2.09153 Ang T9.O and S10.CB neighbor-bump: 2.52585 Ang T9.C and S10.CB T0180 47 :LNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDT 1ezvD 195 :LTGYPDEPPAGVALPPGSNYNPYFPGGSIAMA Fragment has 50 clashes (null) has 50 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.35017 Ang D32.OD1 and T33.O other bump:2.9562 Ang R25.NH2 and L30.C other bump:2.18089 Ang R25.CG and L30.CD2 other bump:1.58969 Ang R25.NE and L30.CD2 other bump:2.57177 Ang R25.CZ and L30.CD2 other bump:2.94904 Ang R25.NH1 and L30.CD2 other bump:3.07946 Ang R25.CB and L30.CD2 other bump:0.688222 Ang R25.CD and L30.CD2 other bump:2.42283 Ang R25.NE and L30.CD1 other bump:2.62865 Ang R25.CB and L30.CD1 other bump:2.44276 Ang R25.CD and L30.CD1 other bump:2.65557 Ang R25.CG and L30.CG other bump:0.97496 Ang R25.NE and L30.CG other bump:2.8728 Ang R25.CB and L30.CG other bump:1.53655 Ang R25.CD and L30.CG other bump:1.80801 Ang R25.NE and L30.CB other bump:2.42815 Ang R25.CZ and L30.CB other bump:2.6413 Ang R25.NH2 and L30.CB other bump:2.79241 Ang R25.CD and L30.CB other bump:2.22751 Ang R25.NE and L30.CA other bump:1.88489 Ang R25.CZ and L30.CA other bump:1.75329 Ang R25.NH2 and L30.CA other bump:2.54679 Ang R25.NE and L30.N other bump:1.72669 Ang R25.CZ and L30.N other bump:2.71906 Ang R25.NH1 and L30.N other bump:0.57874 Ang R25.NH2 and L30.N other bump:2.96952 Ang R25.NE and G29.C other bump:1.72067 Ang R25.CZ and G29.C other bump:2.11985 Ang R25.NH1 and G29.C other bump:0.946337 Ang R25.NH2 and G29.C other bump:1.87314 Ang R25.CZ and G29.O other bump:1.41857 Ang R25.NH1 and G29.O other bump:1.89521 Ang R25.NH2 and G29.O other bump:2.96499 Ang R25.CZ and G29.CA other bump:2.11099 Ang R25.NH2 and G29.CA other bump:2.87197 Ang L5.CD2 and V22.CG2 other bump:2.06638 Ang H4.CD2 and V22.CG1 other bump:2.57378 Ang H4.NE2 and V22.CG1 other bump:1.99642 Ang G1.O and H4.NE2 other bump:2.24837 Ang G1.C and H4.NE2 other bump:1.26553 Ang G1.O and H4.CE1 other bump:0.945856 Ang G1.C and H4.CE1 other bump:2.26229 Ang L2.N and H4.CE1 other bump:1.54354 Ang G1.O and H4.ND1 other bump:1.42982 Ang G1.C and H4.ND1 other bump:2.449 Ang L2.N and H4.ND1 other bump:2.54864 Ang G1.O and H4.CD2 other bump:3.02212 Ang G1.C and H4.CD2 other bump:2.34 Ang G1.O and H4.CG other bump:2.69214 Ang G1.C and H4.CG T0180 84 :RLYPDEIEALKSRVPANTSMSAYIRRIILNHL 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNWC Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:1.93188 Ang P16.O and M21.CE other bump:2.44039 Ang P16.C and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 3 total=985 Number of alignments=114 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-local-adpstyle1.pw.a2m.gz # 1ezvD read from T0180-1ezvD-local-adpstyle1.pw.a2m.gz # found chain 1ezvD in template set T0180 17 :VVRLYPDEIEALKSRVPANTSMSAYIRRIILNHLED 1ezvD 225 :MARVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAE Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:3.0542 Ang Y26.CE2 and I30.CD1 other bump:2.5086 Ang Y6.CD2 and R28.NH2 other bump:1.19264 Ang Y6.CE2 and R28.NH2 other bump:1.85197 Ang Y6.CZ and R28.NH2 other bump:2.13565 Ang Y6.OH and R28.NH2 other bump:2.23501 Ang Y6.CE2 and R28.NH1 other bump:2.22255 Ang Y6.CE1 and R28.NH1 other bump:1.59073 Ang Y6.CZ and R28.NH1 other bump:1.87569 Ang Y6.OH and R28.NH1 other bump:1.95991 Ang Y6.CE2 and R28.CZ other bump:2.98321 Ang Y6.CE1 and R28.CZ other bump:1.75706 Ang Y6.CZ and R28.CZ other bump:1.56076 Ang Y6.OH and R28.CZ other bump:2.92438 Ang Y6.CZ and R28.NE other bump:2.11465 Ang Y6.OH and R28.NE other bump:2.89393 Ang Y6.OH and R28.CD other bump:1.93188 Ang P18.O and M23.CE other bump:2.44039 Ang P18.C and M23.CE other bump:2.73459 Ang A19.N and M23.CE other bump:2.55387 Ang A19.CA and M23.CE other bump:2.15451 Ang P18.O and M23.SD other bump:2.77607 Ang V17.CG2 and M23.SD other bump:2.71861 Ang N20.OD1 and M23.CB other bump:2.29397 Ang L13.CD1 and V17.CG1 other bump:2.97764 Ang L13.CB and V17.CG1 other bump:2.81208 Ang L13.CG and V17.CG1 neighbor-bump: 2.49797 Ang S15.C and R16.CG neighbor-bump: 2.28427 Ang S15.O and R16.CG neighbor-bump: 2.56419 Ang S15.C and R16.CB neighbor-bump: 2.21991 Ang S15.O and R16.CB neighbor-bump: 2.01508 Ang Y6.C and P7.CD Number of specific fragments= 1 total=986 Number of alignments=115 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-local-adpstyle5.pw.a2m.gz # 1ezvD read from T0180-1ezvD-local-adpstyle5.pw.a2m.gz # found chain 1ezvD in template set T0180 36 :TSMSAYIRRI 1ezvD 185 :HGGCDYIFSL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.54953 Ang Y7.CE1 and I11.CD1 other bump:2.46176 Ang Y7.CE2 and I11.CD1 other bump:2.08913 Ang Y7.CZ and I11.CD1 other bump:2.49762 Ang Y7.OH and I11.CD1 other bump:2.85362 Ang S3.CB and Y7.CB self-bump: 2.20547 Ang M4.CB and M4.C self-bump: 1.30072 Ang M4.CA and M4.CB neighbor-bump: 2.09153 Ang T2.O and S3.CB neighbor-bump: 2.52585 Ang T2.C and S3.CB T0180 47 :LNHLEDDGGGGGGGGGGGGMVGRRPGGGLK 1ezvD 195 :LTGYPDEPPAGVALPPGSNYNPYFPGGSIA Fragment has 49 clashes (null) has 49 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.9562 Ang R25.NH2 and L30.C other bump:2.18089 Ang R25.CG and L30.CD2 other bump:1.58969 Ang R25.NE and L30.CD2 other bump:2.57177 Ang R25.CZ and L30.CD2 other bump:2.94904 Ang R25.NH1 and L30.CD2 other bump:3.07946 Ang R25.CB and L30.CD2 other bump:0.688222 Ang R25.CD and L30.CD2 other bump:2.42283 Ang R25.NE and L30.CD1 other bump:2.62865 Ang R25.CB and L30.CD1 other bump:2.44276 Ang R25.CD and L30.CD1 other bump:2.65557 Ang R25.CG and L30.CG other bump:0.97496 Ang R25.NE and L30.CG other bump:2.8728 Ang R25.CB and L30.CG other bump:1.53655 Ang R25.CD and L30.CG other bump:1.80801 Ang R25.NE and L30.CB other bump:2.42815 Ang R25.CZ and L30.CB other bump:2.6413 Ang R25.NH2 and L30.CB other bump:2.79241 Ang R25.CD and L30.CB other bump:2.22751 Ang R25.NE and L30.CA other bump:1.88489 Ang R25.CZ and L30.CA other bump:1.75329 Ang R25.NH2 and L30.CA other bump:2.54679 Ang R25.NE and L30.N other bump:1.72669 Ang R25.CZ and L30.N other bump:2.71906 Ang R25.NH1 and L30.N other bump:0.57874 Ang R25.NH2 and L30.N other bump:2.96952 Ang R25.NE and G29.C other bump:1.72067 Ang R25.CZ and G29.C other bump:2.11985 Ang R25.NH1 and G29.C other bump:0.946337 Ang R25.NH2 and G29.C other bump:1.87314 Ang R25.CZ and G29.O other bump:1.41857 Ang R25.NH1 and G29.O other bump:1.89521 Ang R25.NH2 and G29.O other bump:2.96499 Ang R25.CZ and G29.CA other bump:2.11099 Ang R25.NH2 and G29.CA other bump:2.87197 Ang L5.CD2 and V22.CG2 other bump:2.06638 Ang H4.CD2 and V22.CG1 other bump:2.57378 Ang H4.NE2 and V22.CG1 other bump:1.99642 Ang G1.O and H4.NE2 other bump:2.24837 Ang G1.C and H4.NE2 other bump:1.26553 Ang G1.O and H4.CE1 other bump:0.945856 Ang G1.C and H4.CE1 other bump:2.26229 Ang L2.N and H4.CE1 other bump:1.54354 Ang G1.O and H4.ND1 other bump:1.42982 Ang G1.C and H4.ND1 other bump:2.449 Ang L2.N and H4.ND1 other bump:2.54864 Ang G1.O and H4.CD2 other bump:3.02212 Ang G1.C and H4.CD2 other bump:2.34 Ang G1.O and H4.CG other bump:2.69214 Ang G1.C and H4.CG T0180 82 :VVRLYPDEIEALKSRVPANTSMSAYIRRIILN 1ezvD 225 :MARVLFDDMVEYEDGTPATTSQMAKDVTTFLN Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.0542 Ang Y26.CE2 and I30.CD1 other bump:2.5086 Ang Y6.CD2 and R28.NH2 other bump:1.85197 Ang Y6.CZ and R28.NH2 other bump:2.13565 Ang Y6.OH and R28.NH2 other bump:1.19264 Ang Y6.CE2 and R28.NH2 other bump:2.22255 Ang Y6.CE1 and R28.NH1 other bump:1.59073 Ang Y6.CZ and R28.NH1 other bump:1.87569 Ang Y6.OH and R28.NH1 other bump:2.23501 Ang Y6.CE2 and R28.NH1 other bump:2.98321 Ang Y6.CE1 and R28.CZ other bump:1.75706 Ang Y6.CZ and R28.CZ other bump:1.56076 Ang Y6.OH and R28.CZ other bump:1.95991 Ang Y6.CE2 and R28.CZ other bump:2.92438 Ang Y6.CZ and R28.NE other bump:2.11465 Ang Y6.OH and R28.NE other bump:2.89393 Ang Y6.OH and R28.CD other bump:1.93188 Ang P18.O and M23.CE other bump:2.44039 Ang P18.C and M23.CE other bump:2.73459 Ang A19.N and M23.CE other bump:2.55387 Ang A19.CA and M23.CE other bump:2.15451 Ang P18.O and M23.SD other bump:2.77607 Ang V17.CG2 and M23.SD other bump:2.71861 Ang N20.OD1 and M23.CB other bump:2.97764 Ang L13.CB and V17.CG1 other bump:2.81208 Ang L13.CG and V17.CG1 other bump:2.29397 Ang L13.CD1 and V17.CG1 neighbor-bump: 2.49797 Ang S15.C and R16.CG neighbor-bump: 2.28427 Ang S15.O and R16.CG neighbor-bump: 2.56419 Ang S15.C and R16.CB neighbor-bump: 2.21991 Ang S15.O and R16.CB neighbor-bump: 2.01508 Ang Y6.C and P7.CD Number of specific fragments= 3 total=989 Number of alignments=116 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz # 1ezvD read from T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz # found chain 1ezvD in template set T0180 19 :RLYPDEIEALKSRVPANTSMSAYIRRIILNH 1ezvD 227 :RVLFDDMVEYEDGTPATTSQMAKDVTTFLNW Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:3.0542 Ang Y24.CE2 and I28.CD1 other bump:2.5086 Ang Y4.CD2 and R26.NH2 other bump:1.85197 Ang Y4.CZ and R26.NH2 other bump:1.19264 Ang Y4.CE2 and R26.NH2 other bump:2.13565 Ang Y4.OH and R26.NH2 other bump:2.22255 Ang Y4.CE1 and R26.NH1 other bump:1.59073 Ang Y4.CZ and R26.NH1 other bump:2.23501 Ang Y4.CE2 and R26.NH1 other bump:1.87569 Ang Y4.OH and R26.NH1 other bump:2.98321 Ang Y4.CE1 and R26.CZ other bump:1.75706 Ang Y4.CZ and R26.CZ other bump:1.95991 Ang Y4.CE2 and R26.CZ other bump:1.56076 Ang Y4.OH and R26.CZ other bump:2.92438 Ang Y4.CZ and R26.NE other bump:2.11465 Ang Y4.OH and R26.NE other bump:2.89393 Ang Y4.OH and R26.CD other bump:1.93188 Ang P16.O and M21.CE other bump:2.73459 Ang A17.N and M21.CE other bump:2.44039 Ang P16.C and M21.CE other bump:2.55387 Ang A17.CA and M21.CE other bump:2.15451 Ang P16.O and M21.SD other bump:2.77607 Ang V15.CG2 and M21.SD other bump:2.71861 Ang N18.OD1 and M21.CB other bump:2.97764 Ang L11.CB and V15.CG1 other bump:2.29397 Ang L11.CD1 and V15.CG1 other bump:2.81208 Ang L11.CG and V15.CG1 neighbor-bump: 2.49797 Ang S13.C and R14.CG neighbor-bump: 2.28427 Ang S13.O and R14.CG neighbor-bump: 2.56419 Ang S13.C and R14.CB neighbor-bump: 2.21991 Ang S13.O and R14.CB neighbor-bump: 2.01508 Ang Y4.C and P5.CD Number of specific fragments= 1 total=990 Number of alignments=117 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-simpleSW-adpstyle5.pw.a2m.gz # 1ezvD read from T0180-1ezvD-simpleSW-adpstyle5.pw.a2m.gz # found chain 1ezvD in template set T0180 63 :GGGMVGRRPGGGL 1ezvD 211 :GSNYNPYFPGGSI Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.9562 Ang R9.NH2 and L14.C other bump:2.84834 Ang R9.CD and L14.CD1 other bump:3.06864 Ang R9.NE and L14.CD1 other bump:3.01618 Ang R9.CD and L14.CG other bump:2.74959 Ang R9.NE and L14.CG other bump:2.77944 Ang R9.CD and L14.CB other bump:1.79334 Ang R9.NE and L14.CB other bump:2.41958 Ang R9.CZ and L14.CB other bump:2.6372 Ang R9.NH2 and L14.CB other bump:2.22751 Ang R9.NE and L14.CA other bump:1.88489 Ang R9.CZ and L14.CA other bump:1.75329 Ang R9.NH2 and L14.CA other bump:2.54679 Ang R9.NE and L14.N other bump:1.72669 Ang R9.CZ and L14.N other bump:2.71906 Ang R9.NH1 and L14.N other bump:0.57874 Ang R9.NH2 and L14.N other bump:2.96952 Ang R9.NE and G13.C other bump:1.72067 Ang R9.CZ and G13.C other bump:2.11985 Ang R9.NH1 and G13.C other bump:0.946337 Ang R9.NH2 and G13.C other bump:1.87314 Ang R9.CZ and G13.O other bump:1.41857 Ang R9.NH1 and G13.O other bump:1.89521 Ang R9.NH2 and G13.O other bump:2.96499 Ang R9.CZ and G13.CA other bump:2.11099 Ang R9.NH2 and G13.CA T0180 81 :VVVRLYPDEIEALKSRVPANTSMSA 1ezvD 224 :AMARVLFDDMVEYEDGTPATTSQMA Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.44039 Ang P19.C and M24.CE other bump:1.93188 Ang P19.O and M24.CE other bump:2.73459 Ang A20.N and M24.CE other bump:2.55387 Ang A20.CA and M24.CE other bump:2.15451 Ang P19.O and M24.SD other bump:2.77607 Ang V18.CG2 and M24.SD other bump:2.71861 Ang N21.OD1 and M24.CB other bump:2.29397 Ang L14.CD1 and V18.CG1 other bump:2.97764 Ang L14.CB and V18.CG1 other bump:2.81208 Ang L14.CG and V18.CG1 neighbor-bump: 2.49797 Ang S16.C and R17.CG neighbor-bump: 2.28427 Ang S16.O and R17.CG neighbor-bump: 2.56419 Ang S16.C and R17.CB neighbor-bump: 2.21991 Ang S16.O and R17.CB neighbor-bump: 2.01508 Ang Y7.C and P8.CD Number of specific fragments= 2 total=992 Number of alignments=118 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-vit-adpstyle1.pw.a2m.gz # 1ezvD read from T0180-1ezvD-vit-adpstyle1.pw.a2m.gz # found chain 1ezvD in template set T0180 17 :VVRLYPDEIEALKSRVPANTSMSAYIRRIILNHLED 1ezvD 225 :MARVLFDDMVEYEDGTPATTSQMAKDVTTFLNWCAE Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:3.0542 Ang Y26.CE2 and I30.CD1 other bump:2.5086 Ang Y6.CD2 and R28.NH2 other bump:1.19264 Ang Y6.CE2 and R28.NH2 other bump:1.85197 Ang Y6.CZ and R28.NH2 other bump:2.13565 Ang Y6.OH and R28.NH2 other bump:2.23501 Ang Y6.CE2 and R28.NH1 other bump:2.22255 Ang Y6.CE1 and R28.NH1 other bump:1.59073 Ang Y6.CZ and R28.NH1 other bump:1.87569 Ang Y6.OH and R28.NH1 other bump:1.95991 Ang Y6.CE2 and R28.CZ other bump:2.98321 Ang Y6.CE1 and R28.CZ other bump:1.75706 Ang Y6.CZ and R28.CZ other bump:1.56076 Ang Y6.OH and R28.CZ other bump:2.92438 Ang Y6.CZ and R28.NE other bump:2.11465 Ang Y6.OH and R28.NE other bump:2.89393 Ang Y6.OH and R28.CD other bump:1.93188 Ang P18.O and M23.CE other bump:2.44039 Ang P18.C and M23.CE other bump:2.73459 Ang A19.N and M23.CE other bump:2.55387 Ang A19.CA and M23.CE other bump:2.15451 Ang P18.O and M23.SD other bump:2.77607 Ang V17.CG2 and M23.SD other bump:2.71861 Ang N20.OD1 and M23.CB other bump:2.29397 Ang L13.CD1 and V17.CG1 other bump:2.97764 Ang L13.CB and V17.CG1 other bump:2.81208 Ang L13.CG and V17.CG1 neighbor-bump: 2.49797 Ang S15.C and R16.CG neighbor-bump: 2.28427 Ang S15.O and R16.CG neighbor-bump: 2.56419 Ang S15.C and R16.CB neighbor-bump: 2.21991 Ang S15.O and R16.CB neighbor-bump: 2.01508 Ang Y6.C and P7.CD Number of specific fragments= 1 total=993 Number of alignments=119 # Reading fragments from alignment file # T0180 read from T0180-1ezvD-vit-adpstyle5.pw.a2m.gz # 1ezvD read from T0180-1ezvD-vit-adpstyle5.pw.a2m.gz # found chain 1ezvD in template set T0180 36 :TSMSAYIRRI 1ezvD 185 :HGGCDYIFSL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.54953 Ang Y7.CE1 and I11.CD1 other bump:2.46176 Ang Y7.CE2 and I11.CD1 other bump:2.08913 Ang Y7.CZ and I11.CD1 other bump:2.49762 Ang Y7.OH and I11.CD1 other bump:2.85362 Ang S3.CB and Y7.CB self-bump: 2.20547 Ang M4.CB and M4.C self-bump: 1.30072 Ang M4.CA and M4.CB neighbor-bump: 2.09153 Ang T2.O and S3.CB neighbor-bump: 2.52585 Ang T2.C and S3.CB T0180 47 :LNHLEDDGGGGGGGGGGGGMVGRRPGGGLK 1ezvD 195 :LTGYPDEPPAGVALPPGSNYNPYFPGGSIA Fragment has 49 clashes (null) has 49 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.9562 Ang R25.NH2 and L30.C other bump:2.18089 Ang R25.CG and L30.CD2 other bump:1.58969 Ang R25.NE and L30.CD2 other bump:2.57177 Ang R25.CZ and L30.CD2 other bump:2.94904 Ang R25.NH1 and L30.CD2 other bump:3.07946 Ang R25.CB and L30.CD2 other bump:0.688222 Ang R25.CD and L30.CD2 other bump:2.42283 Ang R25.NE and L30.CD1 other bump:2.62865 Ang R25.CB and L30.CD1 other bump:2.44276 Ang R25.CD and L30.CD1 other bump:2.65557 Ang R25.CG and L30.CG other bump:0.97496 Ang R25.NE and L30.CG other bump:2.8728 Ang R25.CB and L30.CG other bump:1.53655 Ang R25.CD and L30.CG other bump:1.80801 Ang R25.NE and L30.CB other bump:2.42815 Ang R25.CZ and L30.CB other bump:2.6413 Ang R25.NH2 and L30.CB other bump:2.79241 Ang R25.CD and L30.CB other bump:2.22751 Ang R25.NE and L30.CA other bump:1.88489 Ang R25.CZ and L30.CA other bump:1.75329 Ang R25.NH2 and L30.CA other bump:2.54679 Ang R25.NE and L30.N other bump:1.72669 Ang R25.CZ and L30.N other bump:2.71906 Ang R25.NH1 and L30.N other bump:0.57874 Ang R25.NH2 and L30.N other bump:2.96952 Ang R25.NE and G29.C other bump:1.72067 Ang R25.CZ and G29.C other bump:2.11985 Ang R25.NH1 and G29.C other bump:0.946337 Ang R25.NH2 and G29.C other bump:1.87314 Ang R25.CZ and G29.O other bump:1.41857 Ang R25.NH1 and G29.O other bump:1.89521 Ang R25.NH2 and G29.O other bump:2.96499 Ang R25.CZ and G29.CA other bump:2.11099 Ang R25.NH2 and G29.CA other bump:2.87197 Ang L5.CD2 and V22.CG2 other bump:2.06638 Ang H4.CD2 and V22.CG1 other bump:2.57378 Ang H4.NE2 and V22.CG1 other bump:1.99642 Ang G1.O and H4.NE2 other bump:2.24837 Ang G1.C and H4.NE2 other bump:1.26553 Ang G1.O and H4.CE1 other bump:0.945856 Ang G1.C and H4.CE1 other bump:2.26229 Ang L2.N and H4.CE1 other bump:1.54354 Ang G1.O and H4.ND1 other bump:1.42982 Ang G1.C and H4.ND1 other bump:2.449 Ang L2.N and H4.ND1 other bump:2.54864 Ang G1.O and H4.CD2 other bump:3.02212 Ang G1.C and H4.CD2 other bump:2.34 Ang G1.O and H4.CG other bump:2.69214 Ang G1.C and H4.CG T0180 82 :VVRLYPDEIEALKSRVPANTSMSAYIRRIILN 1ezvD 225 :MARVLFDDMVEYEDGTPATTSQMAKDVTTFLN Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.0542 Ang Y26.CE2 and I30.CD1 other bump:2.5086 Ang Y6.CD2 and R28.NH2 other bump:1.85197 Ang Y6.CZ and R28.NH2 other bump:2.13565 Ang Y6.OH and R28.NH2 other bump:1.19264 Ang Y6.CE2 and R28.NH2 other bump:2.22255 Ang Y6.CE1 and R28.NH1 other bump:1.59073 Ang Y6.CZ and R28.NH1 other bump:1.87569 Ang Y6.OH and R28.NH1 other bump:2.23501 Ang Y6.CE2 and R28.NH1 other bump:2.98321 Ang Y6.CE1 and R28.CZ other bump:1.75706 Ang Y6.CZ and R28.CZ other bump:1.56076 Ang Y6.OH and R28.CZ other bump:1.95991 Ang Y6.CE2 and R28.CZ other bump:2.92438 Ang Y6.CZ and R28.NE other bump:2.11465 Ang Y6.OH and R28.NE other bump:2.89393 Ang Y6.OH and R28.CD other bump:1.93188 Ang P18.O and M23.CE other bump:2.44039 Ang P18.C and M23.CE other bump:2.73459 Ang A19.N and M23.CE other bump:2.55387 Ang A19.CA and M23.CE other bump:2.15451 Ang P18.O and M23.SD other bump:2.77607 Ang V17.CG2 and M23.SD other bump:2.71861 Ang N20.OD1 and M23.CB other bump:2.97764 Ang L13.CB and V17.CG1 other bump:2.81208 Ang L13.CG and V17.CG1 other bump:2.29397 Ang L13.CD1 and V17.CG1 neighbor-bump: 2.49797 Ang S15.C and R16.CG neighbor-bump: 2.28427 Ang S15.O and R16.CG neighbor-bump: 2.56419 Ang S15.C and R16.CB neighbor-bump: 2.21991 Ang S15.O and R16.CB neighbor-bump: 2.01508 Ang Y6.C and P7.CD Number of specific fragments= 3 total=996 Number of alignments=120 # command:# Prefix for input files set to 1ht3A/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0180 read from T0180-1ht3A-local-adpstyle1.pw.a2m.gz # 1ht3A read from T0180-1ht3A-local-adpstyle1.pw.a2m.gz # found chain 1ht3A in template set T0180 56 :GGGGGGGGGGMVGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPANTSMSA 1ht3A 66 :GNGHGTHCAGTVGSRTYGVVKKTQLFGVKVLDDNGSGQYSTIIAGMDFVA Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:2.99609 Ang V29.CG1 and M49.CE other bump:1.74491 Ang L31.CD2 and N46.OD1 other bump:2.26448 Ang L31.CD1 and N46.ND2 other bump:2.60104 Ang L31.CA and N46.ND2 other bump:2.06107 Ang L31.CB and N46.ND2 other bump:0.901459 Ang L31.CG and N46.ND2 other bump:1.09655 Ang L31.CD2 and N46.ND2 other bump:2.45503 Ang L31.CD1 and N46.CG other bump:1.81158 Ang L31.CG and N46.CG other bump:1.07697 Ang L31.CD2 and N46.CG other bump:1.93841 Ang L31.CD1 and N46.CB other bump:2.34921 Ang L31.CG and N46.CB other bump:2.24612 Ang L31.CD2 and N46.CB other bump:1.28765 Ang K40.O and P44.CD other bump:3.30765 Ang S41.CA and P44.CD other bump:2.49783 Ang K40.C and P44.CD other bump:2.98402 Ang S41.C and P44.CD other bump:2.18116 Ang K40.O and P44.CG other bump:3.158 Ang S41.CA and P44.CG other bump:3.1339 Ang K40.C and P44.CG other bump:3.15544 Ang S41.C and P44.CG other bump:3.0985 Ang Y32.CD2 and A38.CB other bump:2.50111 Ang L31.O and A38.CB other bump:2.6714 Ang P33.CG and E37.C other bump:2.4361 Ang P33.CD and E37.C other bump:1.78142 Ang P33.CG and E37.O other bump:1.24207 Ang P33.CD and E37.O other bump:3.11874 Ang P33.CG and E37.CA other bump:2.77358 Ang P33.CG and E37.N neighbor-bump: 2.86704 Ang E35.C and I36.CG1 neighbor-bump: 2.00523 Ang E35.O and I36.CB neighbor-bump: 2.40479 Ang E35.C and I36.CB other bump:1.9513 Ang R30.NH2 and D34.OD1 other bump:2.64678 Ang R30.NH2 and D34.N neighbor-bump: 2.52525 Ang R16.CB and P17.CD other bump:2.59389 Ang G11.CA and R15.CD other bump:2.69162 Ang G11.CA and R15.CG Number of specific fragments= 1 total=997 Number of alignments=121 # Reading fragments from alignment file # T0180 read from T0180-1ht3A-local-adpstyle5.pw.a2m.gz # 1ht3A read from T0180-1ht3A-local-adpstyle5.pw.a2m.gz # found chain 1ht3A in template set T0180 44 :RIILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1ht3A 54 :QMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVVKKTQLFGVKVLDDNGSGQYSTIIAG Fragment has 46 clashes (null) has 46 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 59 residues other bump:1.40922 Ang V41.CG1 and N58.OD1 other bump:2.68115 Ang V41.CB and N58.OD1 other bump:2.36873 Ang L43.CD1 and N58.ND2 other bump:3.11227 Ang V41.CG1 and N58.ND2 other bump:2.35659 Ang L43.CD1 and N58.CG other bump:2.52196 Ang V41.CG1 and N58.CG other bump:2.49314 Ang L43.CG and N58.CG other bump:2.84369 Ang L43.CD2 and N58.CG other bump:1.88267 Ang L43.CD1 and N58.CB other bump:2.3115 Ang L43.CG and N58.CB other bump:2.22096 Ang L43.CD2 and N58.CB other bump:1.28765 Ang K52.O and P56.CD other bump:3.30765 Ang S53.CA and P56.CD other bump:2.49783 Ang K52.C and P56.CD other bump:2.98402 Ang S53.C and P56.CD other bump:2.18116 Ang K52.O and P56.CG other bump:3.158 Ang S53.CA and P56.CG other bump:3.1339 Ang K52.C and P56.CG other bump:3.15544 Ang S53.C and P56.CG other bump:3.0985 Ang Y44.CD2 and A50.CB other bump:2.50111 Ang L43.O and A50.CB other bump:2.6714 Ang P45.CG and E49.C other bump:2.4361 Ang P45.CD and E49.C other bump:1.78142 Ang P45.CG and E49.O other bump:1.24207 Ang P45.CD and E49.O other bump:3.11874 Ang P45.CG and E49.CA other bump:2.77358 Ang P45.CG and E49.N neighbor-bump: 2.86704 Ang E47.C and I48.CG1 neighbor-bump: 2.00523 Ang E47.O and I48.CB neighbor-bump: 2.40479 Ang E47.C and I48.CB other bump:1.9513 Ang R42.NH2 and D46.OD1 other bump:2.64678 Ang R42.NH2 and D46.N other bump:3.14344 Ang I3.CD1 and V40.CG1 other bump:3.05101 Ang I3.CD1 and V40.CB other bump:2.30861 Ang I4.CG1 and V39.CG1 other bump:2.94763 Ang I4.CB and V39.CG1 neighbor-bump: 2.52525 Ang R28.CB and P29.CD other bump:2.59389 Ang G23.CA and R27.CD other bump:2.69162 Ang G23.CA and R27.CG other bump:2.83757 Ang D10.CG and G12.N other bump:2.10311 Ang D10.OD1 and G12.N other bump:2.65582 Ang N6.CG and D11.CB other bump:1.71344 Ang N6.OD1 and D11.CB other bump:2.67011 Ang N6.CG and D11.CA other bump:2.01513 Ang N6.OD1 and D11.CA neighbor-bump: 2.20759 Ang D10.OD1 and D11.N Number of specific fragments= 1 total=998 Number of alignments=122 # Reading fragments from alignment file # T0180 read from T0180-1ht3A-simpleSW-adpstyle1.pw.a2m.gz # 1ht3A read from T0180-1ht3A-simpleSW-adpstyle1.pw.a2m.gz # found chain 1ht3A in template set T0180 56 :GGGGGGGGGGMVGRRPGGGLKDTKPVVVRLYPD 1ht3A 66 :GNGHGTHCAGTVGSRTYGVVKKTQLFGVKVLDD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:1.9513 Ang R30.NH2 and D34.OD1 other bump:2.64678 Ang R30.NH2 and D34.N neighbor-bump: 2.52525 Ang R16.CB and P17.CD other bump:2.59389 Ang G11.CA and R15.CD other bump:2.69162 Ang G11.CA and R15.CG Number of specific fragments= 1 total=999 Number of alignments=123 # Reading fragments from alignment file # T0180 read from T0180-1ht3A-simpleSW-adpstyle5.pw.a2m.gz # 1ht3A read from T0180-1ht3A-simpleSW-adpstyle5.pw.a2m.gz # found chain 1ht3A in template set T0180 49 :HLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVVVRLYPDEIEALKSRVP 1ht3A 59 :YYYSSRDGNGHGTHCAGTVGSRTYGVVKKTQLFGVKVLDDNGSGQYSTII Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:1.28765 Ang K47.O and P51.CD other bump:3.30765 Ang S48.CA and P51.CD other bump:2.49783 Ang K47.C and P51.CD other bump:2.98402 Ang S48.C and P51.CD other bump:2.18116 Ang K47.O and P51.CG other bump:3.158 Ang S48.CA and P51.CG other bump:3.13389 Ang K47.C and P51.CG other bump:3.15544 Ang S48.C and P51.CG other bump:3.0985 Ang Y39.CD2 and A45.CB other bump:2.50111 Ang L38.O and A45.CB other bump:2.6714 Ang P40.CG and E44.C other bump:2.4361 Ang P40.CD and E44.C other bump:1.78142 Ang P40.CG and E44.O other bump:1.24207 Ang P40.CD and E44.O other bump:3.11874 Ang P40.CG and E44.CA other bump:2.77358 Ang P40.CG and E44.N neighbor-bump: 2.86704 Ang E42.C and I43.CG1 neighbor-bump: 2.00523 Ang E42.O and I43.CB neighbor-bump: 2.40479 Ang E42.C and I43.CB other bump:1.9513 Ang R37.NH2 and D41.OD1 other bump:2.64678 Ang R37.NH2 and D41.N neighbor-bump: 2.52525 Ang R23.CB and P24.CD other bump:2.59389 Ang G18.CA and R22.CD other bump:2.69162 Ang G18.CA and R22.CG other bump:2.83757 Ang D5.CG and G7.N other bump:2.10311 Ang D5.OD1 and G7.N neighbor-bump: 2.20759 Ang D5.OD1 and D6.N Number of specific fragments= 1 total=1000 Number of alignments=124 # Reading fragments from alignment file # T0180 read from T0180-1ht3A-vit-adpstyle1.pw.a2m.gz # 1ht3A read from T0180-1ht3A-vit-adpstyle1.pw.a2m.gz # found chain 1ht3A in template set T0180 56 :GGGGGGGGGGMVGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPANTSMSA 1ht3A 66 :GNGHGTHCAGTVGSRTYGVVKKTQLFGVKVLDDNGSGQYSTIIAGMDFVA Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:2.99609 Ang V29.CG1 and M49.CE other bump:1.74491 Ang L31.CD2 and N46.OD1 other bump:2.26448 Ang L31.CD1 and N46.ND2 other bump:2.60104 Ang L31.CA and N46.ND2 other bump:2.06107 Ang L31.CB and N46.ND2 other bump:0.901459 Ang L31.CG and N46.ND2 other bump:1.09655 Ang L31.CD2 and N46.ND2 other bump:2.45503 Ang L31.CD1 and N46.CG other bump:1.81158 Ang L31.CG and N46.CG other bump:1.07697 Ang L31.CD2 and N46.CG other bump:1.93841 Ang L31.CD1 and N46.CB other bump:2.34921 Ang L31.CG and N46.CB other bump:2.24612 Ang L31.CD2 and N46.CB other bump:1.28765 Ang K40.O and P44.CD other bump:3.30765 Ang S41.CA and P44.CD other bump:2.49783 Ang K40.C and P44.CD other bump:2.98402 Ang S41.C and P44.CD other bump:2.18116 Ang K40.O and P44.CG other bump:3.158 Ang S41.CA and P44.CG other bump:3.1339 Ang K40.C and P44.CG other bump:3.15544 Ang S41.C and P44.CG other bump:3.0985 Ang Y32.CD2 and A38.CB other bump:2.50111 Ang L31.O and A38.CB other bump:2.6714 Ang P33.CG and E37.C other bump:2.4361 Ang P33.CD and E37.C other bump:1.78142 Ang P33.CG and E37.O other bump:1.24207 Ang P33.CD and E37.O other bump:3.11874 Ang P33.CG and E37.CA other bump:2.77358 Ang P33.CG and E37.N neighbor-bump: 2.86704 Ang E35.C and I36.CG1 neighbor-bump: 2.00523 Ang E35.O and I36.CB neighbor-bump: 2.40479 Ang E35.C and I36.CB other bump:1.9513 Ang R30.NH2 and D34.OD1 other bump:2.64678 Ang R30.NH2 and D34.N neighbor-bump: 2.52525 Ang R16.CB and P17.CD other bump:2.59389 Ang G11.CA and R15.CD other bump:2.69162 Ang G11.CA and R15.CG Number of specific fragments= 1 total=1001 Number of alignments=125 # Reading fragments from alignment file # T0180 read from T0180-1ht3A-vit-adpstyle5.pw.a2m.gz # 1ht3A read from T0180-1ht3A-vit-adpstyle5.pw.a2m.gz # found chain 1ht3A in template set T0180 44 :RIILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPAN 1ht3A 54 :QMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVVKKTQLFGVKVLDDNGSGQYSTIIAG Fragment has 46 clashes (null) has 46 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 59 residues other bump:1.40922 Ang V41.CG1 and N58.OD1 other bump:2.68115 Ang V41.CB and N58.OD1 other bump:2.36873 Ang L43.CD1 and N58.ND2 other bump:3.11227 Ang V41.CG1 and N58.ND2 other bump:2.35659 Ang L43.CD1 and N58.CG other bump:2.52196 Ang V41.CG1 and N58.CG other bump:2.49314 Ang L43.CG and N58.CG other bump:2.84369 Ang L43.CD2 and N58.CG other bump:1.88267 Ang L43.CD1 and N58.CB other bump:2.3115 Ang L43.CG and N58.CB other bump:2.22096 Ang L43.CD2 and N58.CB other bump:1.28765 Ang K52.O and P56.CD other bump:3.30765 Ang S53.CA and P56.CD other bump:2.49783 Ang K52.C and P56.CD other bump:2.98402 Ang S53.C and P56.CD other bump:2.18116 Ang K52.O and P56.CG other bump:3.158 Ang S53.CA and P56.CG other bump:3.1339 Ang K52.C and P56.CG other bump:3.15544 Ang S53.C and P56.CG other bump:3.0985 Ang Y44.CD2 and A50.CB other bump:2.50111 Ang L43.O and A50.CB other bump:2.6714 Ang P45.CG and E49.C other bump:2.4361 Ang P45.CD and E49.C other bump:1.78142 Ang P45.CG and E49.O other bump:1.24207 Ang P45.CD and E49.O other bump:3.11874 Ang P45.CG and E49.CA other bump:2.77358 Ang P45.CG and E49.N neighbor-bump: 2.86704 Ang E47.C and I48.CG1 neighbor-bump: 2.00523 Ang E47.O and I48.CB neighbor-bump: 2.40479 Ang E47.C and I48.CB other bump:1.9513 Ang R42.NH2 and D46.OD1 other bump:2.64678 Ang R42.NH2 and D46.N other bump:3.14344 Ang I3.CD1 and V40.CG1 other bump:3.05101 Ang I3.CD1 and V40.CB other bump:2.30861 Ang I4.CG1 and V39.CG1 other bump:2.94763 Ang I4.CB and V39.CG1 neighbor-bump: 2.52525 Ang R28.CB and P29.CD other bump:2.59389 Ang G23.CA and R27.CD other bump:2.69162 Ang G23.CA and R27.CG other bump:2.83757 Ang D10.CG and G12.N other bump:2.10311 Ang D10.OD1 and G12.N other bump:2.65582 Ang N6.CG and D11.CB other bump:1.71344 Ang N6.OD1 and D11.CB other bump:2.67011 Ang N6.CG and D11.CA other bump:2.01513 Ang N6.OD1 and D11.CA neighbor-bump: 2.20759 Ang D10.OD1 and D11.N Number of specific fragments= 1 total=1002 Number of alignments=126 # command:# Prefix for input files set to 1b65A/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0180 read from 1b65A-T0180-fssp-global-adpstyle1.pw.a2m.gz # 1b65A read from 1b65A-T0180-fssp-global-adpstyle1.pw.a2m.gz # found chain 1b65A in template set T0180 1 :MVGRRPGG 1b65A 9 :KPRARDLG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.43105 Ang R5.N and P6.CD self-bump: 1.37857 Ang P6.N and P6.CD other bump:2.87298 Ang G3.C and P6.CD other bump:2.39361 Ang G3.O and P6.CD other bump:2.81667 Ang G3.N and P6.CG other bump:3.27711 Ang G3.C and P6.CG other bump:2.29985 Ang V2.CG1 and P6.CB T0180 9 :GLKDTKPVVVRLYPDEIEALKSRVPANTSMSAYIR 1b65A 58 :GVTAILPHMQSETPVPVYAGVHRFNGNGEMTGTHW Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.04426 Ang M31.CB and Y34.OH other bump:1.03665 Ang M31.CG and Y34.OH other bump:0.920615 Ang M31.SD and Y34.OH other bump:1.83326 Ang M31.CE and Y34.OH other bump:2.99958 Ang K22.CE and Y34.CZ other bump:2.26621 Ang M31.CB and Y34.CZ other bump:1.35411 Ang M31.CG and Y34.CZ other bump:1.40281 Ang M31.SD and Y34.CZ other bump:3.04274 Ang M31.CE and Y34.CZ other bump:2.71225 Ang K22.NZ and Y34.CE2 other bump:2.12317 Ang M31.O and Y34.CE2 other bump:2.43828 Ang M31.C and Y34.CE2 other bump:2.65186 Ang M31.CA and Y34.CE2 other bump:1.91466 Ang M31.CB and Y34.CE2 other bump:1.77801 Ang M31.CG and Y34.CE2 other bump:2.6922 Ang M31.SD and Y34.CE2 other bump:2.4604 Ang K22.CE and Y34.CE1 other bump:2.63571 Ang M31.CG and Y34.CE1 other bump:1.87254 Ang M31.SD and Y34.CE1 other bump:2.66573 Ang K22.CE and Y34.CD2 other bump:1.72466 Ang K22.NZ and Y34.CD2 other bump:2.06441 Ang M31.O and Y34.CD2 other bump:2.93141 Ang M31.C and Y34.CD2 other bump:1.90563 Ang K22.CE and Y34.CD1 other bump:2.32652 Ang K22.NZ and Y34.CD1 other bump:2.06602 Ang K22.CE and Y34.CG other bump:1.43653 Ang K22.NZ and Y34.CG other bump:2.86708 Ang K22.CE and Y34.CB other bump:1.97031 Ang K22.NZ and Y34.CB neighbor-bump: 2.57475 Ang S32.C and A33.CB other bump:2.84281 Ang R24.CD and A27.CB neighbor-bump: 1.83791 Ang V25.CG2 and P26.CD neighbor-bump: 1.78272 Ang V25.C and P26.CD neighbor-bump: 2.4617 Ang V25.CB and P26.CD neighbor-bump: 3.11044 Ang V25.CG2 and P26.CG neighbor-bump: 2.55282 Ang V25.C and P26.CG other bump:2.12931 Ang V9.CG1 and R12.NE other bump:2.01966 Ang V9.CG1 and R12.CD other bump:2.64993 Ang V9.CG1 and R12.CG T0180 44 :RIILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1b65A 164 :RKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:3.15848 Ang R27.CA and P29.CD other bump:3.19846 Ang G26.C and P29.CD neighbor-bump: 2.45634 Ang R28.N and P29.CD other bump:2.21197 Ang G26.O and P29.CD other bump:2.01689 Ang R27.O and P29.CD other bump:2.13657 Ang R27.C and P29.CD other bump:3.27466 Ang G26.C and P29.CG other bump:2.04948 Ang G26.O and P29.CG neighbor-bump: 2.38767 Ang D11.CB and G12.N self-bump: 2.18948 Ang D11.CB and D11.C self-bump: 1.28459 Ang D11.CA and D11.CB other bump:2.30191 Ang I3.O and H7.CD2 T0180 83 :VRLYPDEIEALKSR 1b65A 259 :LPLMPHQLKRLARR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 97 :VPANTSMSAYIRRIILNHLEDD 1b65A 341 :IAAEDMGGTPFDRLLVQAIDHE Fragment has 70 clashes (null) has 70 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues self-bump: 1.38861 Ang D23.CA and D23.CB other bump:2.77035 Ang A4.CB and H19.NE2 other bump:1.86979 Ang N5.O and H19.NE2 other bump:2.63059 Ang A4.C and H19.NE2 other bump:1.98224 Ang N5.N and H19.NE2 other bump:2.54877 Ang N5.CA and H19.NE2 other bump:2.24623 Ang N5.C and H19.NE2 other bump:1.3204 Ang N5.O and H19.CE1 other bump:2.67167 Ang A4.C and H19.CE1 other bump:1.6333 Ang N5.N and H19.CE1 other bump:1.39727 Ang N5.CA and H19.CE1 other bump:1.03709 Ang N5.C and H19.CE1 other bump:2.64621 Ang N5.CB and H19.CE1 other bump:2.29436 Ang T6.N and H19.CE1 other bump:2.36925 Ang N5.O and H19.ND1 other bump:2.71828 Ang A4.C and H19.ND1 other bump:2.16698 Ang N5.N and H19.ND1 other bump:1.54085 Ang N5.CA and H19.ND1 other bump:1.48149 Ang N5.C and H19.ND1 other bump:3.00623 Ang N5.CB and H19.ND1 other bump:3.193 Ang T6.CA and H19.ND1 other bump:2.01532 Ang T6.N and H19.ND1 other bump:2.45062 Ang A4.CB and H19.CD2 other bump:3.15258 Ang A4.CA and H19.CD2 other bump:2.6727 Ang A4.C and H19.CD2 other bump:2.64299 Ang N5.N and H19.CD2 other bump:3.17281 Ang N5.CA and H19.CD2 other bump:2.99281 Ang N5.C and H19.CD2 other bump:2.73093 Ang A4.C and H19.CG other bump:2.73882 Ang N5.N and H19.CG other bump:2.73773 Ang N5.CA and H19.CG other bump:2.68252 Ang N5.C and H19.CG other bump:3.13741 Ang T6.N and H19.CG other bump:3.0431 Ang M8.SD and L17.C other bump:2.42332 Ang M8.CE and L17.C other bump:2.45002 Ang I15.CG2 and L17.CD2 other bump:2.32466 Ang M8.CE and L17.CG other bump:1.66293 Ang M8.CE and L17.CB other bump:2.25291 Ang M8.SD and L17.CA other bump:1.55384 Ang M8.CE and L17.CA other bump:0.786214 Ang M8.SD and L17.N other bump:1.28004 Ang M8.CE and L17.N other bump:2.42106 Ang M8.CG and L17.N neighbor-bump: 3.19439 Ang I15.CG2 and I16.C other bump:1.13216 Ang M8.SD and I16.C other bump:2.58647 Ang M8.CE and I16.C other bump:2.7412 Ang M8.CG and I16.C other bump:2.33301 Ang M8.SD and I16.O other bump:2.77334 Ang S9.CB and I16.CD1 other bump:1.8703 Ang S9.OG and I16.CD1 other bump:2.94669 Ang S9.OG and I16.CG2 other bump:2.91688 Ang M8.SD and I16.CG1 other bump:2.58749 Ang M8.CG and I16.CG1 other bump:1.89792 Ang S9.OG and I16.CG1 other bump:2.78911 Ang M8.SD and I16.CB other bump:2.85796 Ang M8.CG and I16.CB other bump:1.86625 Ang S9.OG and I16.CB other bump:1.73045 Ang M8.SD and I16.CA other bump:3.06936 Ang M8.CB and I16.CA other bump:2.22146 Ang M8.CG and I16.CA neighbor-bump: 2.64302 Ang I15.CG2 and I16.N other bump:2.76447 Ang M8.SD and I16.N other bump:2.70887 Ang M8.CB and I15.O neighbor-bump: 2.32193 Ang S7.O and M8.CE neighbor-bump: 2.69767 Ang S7.O and M8.SD neighbor-bump: 1.84885 Ang S7.O and M8.CG neighbor-bump: 2.66944 Ang S7.C and M8.CG neighbor-bump: 1.94332 Ang S7.O and M8.CB neighbor-bump: 2.46969 Ang S7.C and M8.CB neighbor-bump: 2.51976 Ang V2.N and P3.CD Number of specific fragments= 5 total=1007 Number of alignments=127 # Reading fragments from alignment file # T0180 read from 1b65A-T0180-fssp-global-adpstyle5.pw.a2m.gz # 1b65A read from 1b65A-T0180-fssp-global-adpstyle5.pw.a2m.gz # found chain 1b65A in template set T0180 1 :MVGRRPGG 1b65A 9 :KPRARDLG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.43105 Ang R5.N and P6.CD self-bump: 1.37857 Ang P6.N and P6.CD other bump:2.87298 Ang G3.C and P6.CD other bump:2.39361 Ang G3.O and P6.CD other bump:2.81667 Ang G3.N and P6.CG other bump:3.27711 Ang G3.C and P6.CG other bump:2.29985 Ang V2.CG1 and P6.CB T0180 9 :GLKDTKPVVV 1b65A 28 :AITDVDGVGV Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 1.53517 Ang K7.CA and P8.CD neighbor-bump: 1.81954 Ang K7.O and P8.CD neighbor-bump: 0.80041 Ang K7.C and P8.CD self-bump: 1.32822 Ang P8.N and P8.CD neighbor-bump: 2.12718 Ang K7.CB and P8.CD neighbor-bump: 2.24208 Ang K7.CG and P8.CD neighbor-bump: 2.89402 Ang K7.CA and P8.CG neighbor-bump: 1.98251 Ang K7.O and P8.CG neighbor-bump: 1.87394 Ang K7.C and P8.CG self-bump: 2.17909 Ang P8.N and P8.CG neighbor-bump: 2.90055 Ang K7.CB and P8.CG neighbor-bump: 2.43588 Ang K7.CG and P8.CG neighbor-bump: 2.04345 Ang K7.O and P8.CB neighbor-bump: 2.31779 Ang K7.C and P8.CB T0180 19 :RLYPDEIEALKSRVPANTSMSA 1b65A 68 :SETPVPVYAGVHRFNGNGEMTG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.57474 Ang S22.C and A23.CB other bump:2.84281 Ang R14.CD and A17.CB neighbor-bump: 1.83791 Ang V15.CG2 and P16.CD neighbor-bump: 1.78272 Ang V15.C and P16.CD neighbor-bump: 2.4617 Ang V15.CB and P16.CD neighbor-bump: 3.11044 Ang V15.CG2 and P16.CG neighbor-bump: 2.55282 Ang V15.C and P16.CG other bump:2.23149 Ang R2.NH2 and D6.CB other bump:3.1746 Ang R2.CD and D6.CB other bump:2.23968 Ang R2.NE and D6.CB other bump:1.89754 Ang R2.CZ and D6.CB other bump:2.53161 Ang R2.NH1 and D6.CB other bump:3.03125 Ang R2.CZ and D6.CA other bump:3.23157 Ang R2.CZ and D6.N other bump:3.20251 Ang R2.CG and Y4.C other bump:2.85053 Ang R2.CD and Y4.C other bump:2.15309 Ang R2.CG and Y4.O other bump:1.70623 Ang R2.CD and Y4.O other bump:3.05474 Ang R2.CG and Y4.N T0180 41 :YIR 1b65A 118 :TVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0180 44 :RIILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1b65A 164 :RKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:3.15848 Ang R27.CA and P29.CD other bump:3.19846 Ang G26.C and P29.CD neighbor-bump: 2.45634 Ang R28.N and P29.CD other bump:2.21197 Ang G26.O and P29.CD other bump:2.01689 Ang R27.O and P29.CD other bump:2.13657 Ang R27.C and P29.CD other bump:3.27466 Ang G26.C and P29.CG other bump:2.04948 Ang G26.O and P29.CG neighbor-bump: 2.38767 Ang D11.CB and G12.N self-bump: 2.18948 Ang D11.CB and D11.C self-bump: 1.28459 Ang D11.CA and D11.CB other bump:2.30191 Ang I3.O and H7.CD2 T0180 83 :VRLYPDEIEALKSRVPANT 1b65A 259 :LPLMPHQLKRLARRASIGI Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.22933 Ang V16.O and N19.OD1 other bump:2.04302 Ang V16.CA and N19.OD1 other bump:2.87978 Ang V16.CG1 and N19.OD1 other bump:1.82136 Ang V16.C and N19.OD1 other bump:3.06394 Ang V16.CG1 and N19.ND2 other bump:2.43645 Ang V16.O and N19.CG other bump:2.64625 Ang V16.CA and N19.CG other bump:2.94016 Ang V16.C and N19.CG other bump:1.76121 Ang S14.O and P17.CD other bump:2.58754 Ang S14.C and P17.CD other bump:2.3586 Ang S14.O and P17.CG T0180 102 :SMS 1b65A 288 :SGD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0180 105 :AYIRRIILNHL 1b65A 349 :TPFDRLLVQAI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.45002 Ang I7.CG2 and L9.CD2 neighbor-bump: 3.19439 Ang I7.CG2 and I8.C neighbor-bump: 2.64302 Ang I7.CG2 and I8.N T0180 116 :ED 1b65A 373 :RL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 9 total=1016 Number of alignments=128 # Reading fragments from alignment file # T0180 read from 1b65A-T0180-local-adpstyle1.pw.a2m.gz # 1b65A read from 1b65A-T0180-local-adpstyle1.pw.a2m.gz # found chain 1b65A in template set T0180 58 :GGGGGGGGMVGRRPGGGL 1b65A 178 :GNCGGGTGMITYGFKGGT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.21197 Ang G12.O and P15.CD other bump:3.19846 Ang G12.C and P15.CD neighbor-bump: 2.45634 Ang R14.N and P15.CD other bump:3.15848 Ang R13.CA and P15.CD other bump:2.01689 Ang R13.O and P15.CD other bump:2.13657 Ang R13.C and P15.CD other bump:2.04948 Ang G12.O and P15.CG other bump:3.27466 Ang G12.C and P15.CG Number of specific fragments= 1 total=1017 # Reading fragments from alignment file # T0180 read from 1b65A-T0180-local-adpstyle5.pw.a2m.gz # 1b65A read from 1b65A-T0180-local-adpstyle5.pw.a2m.gz # found chain 1b65A in template set T0180 7 :GGGLKDTKPVVVRLYPDEIEALKSRVPANTSMSAYIRRII 1b65A 132 :TDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVA Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues self-bump: 1.3922 Ang N30.CA and N30.CB other bump:3.19666 Ang P17.CD and L23.CD2 other bump:2.00821 Ang D18.CG and L23.CD1 other bump:1.25805 Ang D18.OD2 and L23.CD1 other bump:2.27597 Ang D18.N and L23.CD1 other bump:2.48569 Ang D18.CA and L23.CD1 other bump:2.67188 Ang D18.CB and L23.CD1 other bump:2.06313 Ang D18.OD2 and L23.CG other bump:3.22208 Ang D18.CA and L23.CG other bump:2.19408 Ang D18.OD2 and L23.CB other bump:2.18006 Ang Y16.CD1 and D18.OD1 other bump:0.85972 Ang Y16.CE1 and D18.OD1 other bump:2.83748 Ang Y16.CE2 and D18.OD1 other bump:1.55823 Ang Y16.CZ and D18.OD1 other bump:2.06692 Ang Y16.OH and D18.OD1 other bump:2.76531 Ang Y16.CD1 and D18.CG other bump:1.79947 Ang Y16.CE1 and D18.CG other bump:2.36817 Ang Y16.OH and D18.CG other bump:2.76042 Ang Y16.CE1 and D18.CB other bump:2.66473 Ang Y16.CE2 and D18.CB other bump:2.11217 Ang Y16.CZ and D18.CB other bump:2.10831 Ang Y16.OH and D18.CB T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGL 1b65A 172 :SGPVQEGNCGGGTGMITYGFKGGT Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:3.19846 Ang G18.C and P21.CD neighbor-bump: 2.45634 Ang R20.N and P21.CD other bump:2.21197 Ang G18.O and P21.CD other bump:3.15848 Ang R19.CA and P21.CD other bump:2.01689 Ang R19.O and P21.CD other bump:2.13657 Ang R19.C and P21.CD other bump:3.27466 Ang G18.C and P21.CG other bump:2.04948 Ang G18.O and P21.CG neighbor-bump: 2.38767 Ang D3.CB and G4.N self-bump: 2.18947 Ang D3.CB and D3.C self-bump: 1.28459 Ang D3.CA and D3.CB Number of specific fragments= 2 total=1019 Number of alignments=129 # Reading fragments from alignment file # T0180 read from 1b65A-T0180-vit-adpstyle1.pw.a2m.gz # 1b65A read from 1b65A-T0180-vit-adpstyle1.pw.a2m.gz # found chain 1b65A in template set T0180 58 :GGGGGGGGMVGRRPGGGL 1b65A 178 :GNCGGGTGMITYGFKGGT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.21197 Ang G12.O and P15.CD other bump:3.19846 Ang G12.C and P15.CD neighbor-bump: 2.45634 Ang R14.N and P15.CD other bump:3.15848 Ang R13.CA and P15.CD other bump:2.01689 Ang R13.O and P15.CD other bump:2.13657 Ang R13.C and P15.CD other bump:2.04948 Ang G12.O and P15.CG other bump:3.27466 Ang G12.C and P15.CG Number of specific fragments= 1 total=1020 # Reading fragments from alignment file # T0180 read from 1b65A-T0180-vit-adpstyle5.pw.a2m.gz # 1b65A read from 1b65A-T0180-vit-adpstyle5.pw.a2m.gz # found chain 1b65A in template set T0180 7 :GGGLKDTKPVVVRLYPDEIEALKSRVPANTSMSAYIRRII 1b65A 132 :TDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVA Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues self-bump: 1.3922 Ang N30.CA and N30.CB other bump:3.19666 Ang P17.CD and L23.CD2 other bump:2.00821 Ang D18.CG and L23.CD1 other bump:1.25805 Ang D18.OD2 and L23.CD1 other bump:2.27597 Ang D18.N and L23.CD1 other bump:2.48569 Ang D18.CA and L23.CD1 other bump:2.67188 Ang D18.CB and L23.CD1 other bump:2.06313 Ang D18.OD2 and L23.CG other bump:3.22208 Ang D18.CA and L23.CG other bump:2.19408 Ang D18.OD2 and L23.CB other bump:2.18006 Ang Y16.CD1 and D18.OD1 other bump:0.85972 Ang Y16.CE1 and D18.OD1 other bump:2.83748 Ang Y16.CE2 and D18.OD1 other bump:1.55823 Ang Y16.CZ and D18.OD1 other bump:2.06692 Ang Y16.OH and D18.OD1 other bump:2.76531 Ang Y16.CD1 and D18.CG other bump:1.79947 Ang Y16.CE1 and D18.CG other bump:2.36817 Ang Y16.OH and D18.CG other bump:2.76042 Ang Y16.CE1 and D18.CB other bump:2.66473 Ang Y16.CE2 and D18.CB other bump:2.11217 Ang Y16.CZ and D18.CB other bump:2.10831 Ang Y16.OH and D18.CB T0180 52 :DDGGGGGGGGGGGGMVGRRPGGGL 1b65A 172 :SGPVQEGNCGGGTGMITYGFKGGT Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:3.19846 Ang G18.C and P21.CD neighbor-bump: 2.45634 Ang R20.N and P21.CD other bump:2.21197 Ang G18.O and P21.CD other bump:3.15848 Ang R19.CA and P21.CD other bump:2.01689 Ang R19.O and P21.CD other bump:2.13657 Ang R19.C and P21.CD other bump:3.27466 Ang G18.C and P21.CG other bump:2.04948 Ang G18.O and P21.CG neighbor-bump: 2.38767 Ang D3.CB and G4.N self-bump: 2.18947 Ang D3.CB and D3.C self-bump: 1.28459 Ang D3.CA and D3.CB Number of specific fragments= 2 total=1022 Number of alignments=130 # Reading fragments from alignment file # T0180 read from T0180-1b65A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1b65A read from T0180-1b65A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1b65A in template set T0180 4 :RRPGGGLKDTKPVVVRLY 1b65A 23 :TGPYNAITDVDGVGVGFQ Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 1.53517 Ang K12.CA and P13.CD neighbor-bump: 1.81954 Ang K12.O and P13.CD neighbor-bump: 0.80041 Ang K12.C and P13.CD self-bump: 1.32822 Ang P13.N and P13.CD neighbor-bump: 2.12718 Ang K12.CB and P13.CD neighbor-bump: 2.24208 Ang K12.CG and P13.CD neighbor-bump: 2.89402 Ang K12.CA and P13.CG neighbor-bump: 1.98251 Ang K12.O and P13.CG neighbor-bump: 1.87394 Ang K12.C and P13.CG self-bump: 2.17909 Ang P13.N and P13.CG neighbor-bump: 2.90055 Ang K12.CB and P13.CG neighbor-bump: 2.43588 Ang K12.CG and P13.CG neighbor-bump: 2.04345 Ang K12.O and P13.CB neighbor-bump: 2.31779 Ang K12.C and P13.CB other bump:2.77268 Ang R3.CG and D10.OD2 other bump:1.85249 Ang R3.CB and D10.OD2 other bump:2.86644 Ang R3.CG and D10.CG other bump:2.60296 Ang R3.CD and D10.CG other bump:2.11579 Ang R3.CB and D10.CG other bump:2.31431 Ang R3.CG and D10.CB other bump:1.59953 Ang R3.CD and D10.CB other bump:2.62456 Ang R3.NE and D10.CB other bump:2.46426 Ang R3.CB and D10.CB other bump:2.82603 Ang R3.CD and D10.CA other bump:2.5475 Ang R3.NH1 and L8.C other bump:2.36277 Ang R3.NH1 and L8.CA other bump:2.65753 Ang R3.NH1 and L8.N other bump:3.11387 Ang R3.CZ and L8.N other bump:2.21655 Ang R3.NH1 and G7.C other bump:2.18697 Ang R3.NH2 and G7.C other bump:2.2746 Ang R3.CZ and G7.C other bump:1.4235 Ang R3.NH1 and G7.O other bump:2.19241 Ang R3.NH2 and G7.O other bump:1.55485 Ang R3.CZ and G7.O other bump:2.76563 Ang R3.NH2 and G7.CA other bump:3.2682 Ang R2.CD and G6.CA T0180 48 :NHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVVVRLY 1b65A 41 :TIIENEPRPGRKRPARSGVTAILPHMQSETPVPVYAGVH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:3.09595 Ang L29.CD1 and K33.CB T0180 87 :PDEIEALKSRVPANTSMSAYIRRIILNHLED 1b65A 94 :EDGGYFLGPVVITNTHGIGMAHHATVRWMVD Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.6878 Ang K9.CD and L30.CD2 other bump:1.59115 Ang K9.CE and L30.CD1 other bump:2.33698 Ang K9.NZ and L30.CD1 other bump:1.475 Ang K9.CD and L30.CD1 other bump:2.80468 Ang K9.CE and L30.CG other bump:2.53002 Ang K9.CD and L30.CG other bump:2.96307 Ang V12.CB and I26.CD1 other bump:2.31789 Ang V12.CG2 and I26.CD1 other bump:3.09167 Ang Y21.CE2 and I25.CG1 other bump:2.27573 Ang A14.CB and I22.CD1 other bump:2.82923 Ang V12.CG1 and I22.CG2 other bump:2.96271 Ang N15.CG and M18.CG other bump:2.32555 Ang N15.ND2 and M18.CG neighbor-bump: 2.11414 Ang V12.C and P13.CD neighbor-bump: 2.25941 Ang L8.O and K9.CG neighbor-bump: 2.75616 Ang L8.C and K9.CG neighbor-bump: 1.94072 Ang L8.O and K9.CB neighbor-bump: 2.45337 Ang L8.C and K9.CB neighbor-bump: 2.72287 Ang E4.C and I5.CG1 neighbor-bump: 1.93609 Ang E4.O and I5.CB neighbor-bump: 2.34256 Ang E4.C and I5.CB Number of specific fragments= 3 total=1025 Number of alignments=131 # Reading fragments from alignment file # T0180 read from T0180-1b65A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1b65A read from T0180-1b65A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1b65A in template set T0180 5 :RPGGGLKDTKPVVVRL 1b65A 24 :GPYNAITDVDGVGVGF Fragment has 48 clashes (null) has 48 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 1.53517 Ang K11.CA and P12.CD neighbor-bump: 1.81954 Ang K11.O and P12.CD neighbor-bump: 0.80041 Ang K11.C and P12.CD self-bump: 1.32822 Ang P12.N and P12.CD neighbor-bump: 2.12718 Ang K11.CB and P12.CD neighbor-bump: 2.24208 Ang K11.CG and P12.CD neighbor-bump: 2.89402 Ang K11.CA and P12.CG neighbor-bump: 1.98251 Ang K11.O and P12.CG neighbor-bump: 1.87394 Ang K11.C and P12.CG self-bump: 2.17909 Ang P12.N and P12.CG neighbor-bump: 2.90055 Ang K11.CB and P12.CG neighbor-bump: 2.43588 Ang K11.CG and P12.CG neighbor-bump: 2.04345 Ang K11.O and P12.CB neighbor-bump: 2.31779 Ang K11.C and P12.CB other bump:2.4479 Ang R2.NH2 and T10.CG2 other bump:2.52778 Ang R2.CZ and T10.N other bump:2.78927 Ang R2.NH2 and T10.N other bump:2.84129 Ang R2.NE and T10.N other bump:2.50204 Ang R2.CZ and D9.C other bump:2.12983 Ang R2.NE and D9.C other bump:2.64925 Ang R2.CD and D9.C other bump:1.83775 Ang R2.CB and D9.OD2 other bump:2.24181 Ang R2.CG and D9.OD2 other bump:2.28703 Ang R2.CD and D9.OD2 other bump:2.17201 Ang R2.CG and D9.OD1 other bump:1.93682 Ang R2.CD and D9.OD1 other bump:2.14332 Ang R2.CB and D9.CG other bump:2.39284 Ang R2.NE and D9.CG other bump:1.61303 Ang R2.CG and D9.CG other bump:1.22884 Ang R2.CD and D9.CG other bump:2.67632 Ang R2.NH1 and D9.CB other bump:2.0392 Ang R2.CZ and D9.CB other bump:2.48926 Ang R2.CB and D9.CB other bump:0.911226 Ang R2.NE and D9.CB other bump:1.80648 Ang R2.CG and D9.CB other bump:0.577566 Ang R2.CD and D9.CB other bump:2.4383 Ang R2.CZ and D9.CA other bump:1.75803 Ang R2.NE and D9.CA other bump:2.91352 Ang R2.CG and D9.CA other bump:1.49683 Ang R2.CD and D9.CA other bump:2.36055 Ang R2.NH1 and D9.N other bump:2.74279 Ang R2.CZ and D9.N other bump:2.6854 Ang R2.NE and D9.N other bump:2.4999 Ang R2.CD and D9.N other bump:2.74406 Ang R2.NH1 and L7.C other bump:2.90848 Ang R2.NH1 and G6.C other bump:1.8745 Ang R2.NH1 and G6.O neighbor-bump: 2.44269 Ang R2.CG and P3.CD T0180 21 :YPDEIEA 1b65A 43 :IENEPRP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0180 29 :KSRVPANTSM 1b65A 50 :GRKRPARSGV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.62129 Ang T9.C and S10.OG neighbor-bump: 2.06304 Ang T9.O and S10.OG neighbor-bump: 3.056 Ang V5.CG1 and P6.CD T0180 44 :RIILNHLEDDGG 1b65A 60 :TAILPHMQSETP Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.29816 Ang D10.CG and G12.C other bump:1.85938 Ang D10.OD2 and G12.O other bump:2.23229 Ang D10.CG and G12.O other bump:3.17279 Ang D10.CG and G12.N other bump:2.70582 Ang L5.CG and L8.CD2 other bump:2.31126 Ang L5.CD1 and L8.CD2 other bump:2.24223 Ang L5.CB and L8.CD2 T0180 56 :GGGGGGG 1b65A 83 :GNGEMTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0180 63 :GGGMVGR 1b65A 96 :GGYFLGP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0180 71 :PGGGLKDTKPVVVRLYPDEIEALKSRVP 1b65A 131 :QTDDFLWIMPVVAETYDGALNDINGFPV Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:3.19666 Ang P18.CD and L24.CD2 other bump:2.00821 Ang D19.CG and L24.CD1 other bump:1.25805 Ang D19.OD2 and L24.CD1 other bump:2.27597 Ang D19.N and L24.CD1 other bump:2.48569 Ang D19.CA and L24.CD1 other bump:2.67188 Ang D19.CB and L24.CD1 other bump:2.06313 Ang D19.OD2 and L24.CG other bump:3.22208 Ang D19.CA and L24.CG other bump:2.19408 Ang D19.OD2 and L24.CB other bump:2.18006 Ang Y17.CD1 and D19.OD1 other bump:0.85972 Ang Y17.CE1 and D19.OD1 other bump:2.06692 Ang Y17.OH and D19.OD1 other bump:2.83748 Ang Y17.CE2 and D19.OD1 other bump:1.55823 Ang Y17.CZ and D19.OD1 other bump:2.76531 Ang Y17.CD1 and D19.CG other bump:1.79947 Ang Y17.CE1 and D19.CG other bump:2.36817 Ang Y17.OH and D19.CG other bump:2.76042 Ang Y17.CE1 and D19.CB other bump:2.10831 Ang Y17.OH and D19.CB other bump:2.66473 Ang Y17.CE2 and D19.CB other bump:2.11217 Ang Y17.CZ and D19.CB T0180 103 :MSAYIRRIILNHLE 1b65A 159 :TEADVRKALDNVAS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.5854 Ang H13.O and L14.CD2 neighbor-bump: 2.94637 Ang H13.CD2 and L14.N Number of specific fragments= 8 total=1033 Number of alignments=132 # Reading fragments from alignment file # T0180 read from T0180-1b65A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1b65A read from T0180-1b65A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1b65A in template set T0180 8 :GGLKDTKPVVVRLYPDEIEALKSRVPANTSM 1b65A 133 :DDFLWIMPVVAETYDGALNDINGFPVTEADV Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues self-bump: 1.3922 Ang N29.CA and N29.CB other bump:3.19666 Ang P16.CD and L22.CD2 other bump:2.00821 Ang D17.CG and L22.CD1 other bump:1.25805 Ang D17.OD2 and L22.CD1 other bump:2.27597 Ang D17.N and L22.CD1 other bump:2.48569 Ang D17.CA and L22.CD1 other bump:2.67188 Ang D17.CB and L22.CD1 other bump:2.06313 Ang D17.OD2 and L22.CG other bump:3.22208 Ang D17.CA and L22.CG other bump:2.19408 Ang D17.OD2 and L22.CB other bump:2.18006 Ang Y15.CD1 and D17.OD1 other bump:0.85972 Ang Y15.CE1 and D17.OD1 other bump:2.06692 Ang Y15.OH and D17.OD1 other bump:2.83748 Ang Y15.CE2 and D17.OD1 other bump:1.55823 Ang Y15.CZ and D17.OD1 other bump:2.76531 Ang Y15.CD1 and D17.CG other bump:1.79947 Ang Y15.CE1 and D17.CG other bump:2.36817 Ang Y15.OH and D17.CG other bump:2.76042 Ang Y15.CE1 and D17.CB other bump:2.10831 Ang Y15.OH and D17.CB other bump:2.66473 Ang Y15.CE2 and D17.CB other bump:2.11217 Ang Y15.CZ and D17.CB T0180 44 :RIILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1b65A 164 :RKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:3.15848 Ang R27.CA and P29.CD other bump:3.19846 Ang G26.C and P29.CD neighbor-bump: 2.45634 Ang R28.N and P29.CD other bump:2.21197 Ang G26.O and P29.CD other bump:2.01689 Ang R27.O and P29.CD other bump:2.13657 Ang R27.C and P29.CD other bump:3.27466 Ang G26.C and P29.CG other bump:2.04948 Ang G26.O and P29.CG neighbor-bump: 2.38767 Ang D11.CB and G12.N self-bump: 2.18948 Ang D11.CB and D11.C self-bump: 1.28459 Ang D11.CA and D11.CB other bump:2.30191 Ang I3.O and H7.CD2 Number of specific fragments= 2 total=1035 Number of alignments=133 # Reading fragments from alignment file # T0180 read from T0180-1b65A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1b65A read from T0180-1b65A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1b65A in template set T0180 8 :GGLKDTKPVVVRLYPDEIEALKSRVP 1b65A 133 :DDFLWIMPVVAETYDGALNDINGFPV Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.19666 Ang P16.CD and L22.CD2 other bump:2.00821 Ang D17.CG and L22.CD1 other bump:1.25805 Ang D17.OD2 and L22.CD1 other bump:2.27597 Ang D17.N and L22.CD1 other bump:2.48569 Ang D17.CA and L22.CD1 other bump:2.67188 Ang D17.CB and L22.CD1 other bump:2.06313 Ang D17.OD2 and L22.CG other bump:3.22208 Ang D17.CA and L22.CG other bump:2.19408 Ang D17.OD2 and L22.CB other bump:2.18006 Ang Y15.CD1 and D17.OD1 other bump:0.85972 Ang Y15.CE1 and D17.OD1 other bump:2.06692 Ang Y15.OH and D17.OD1 other bump:2.83748 Ang Y15.CE2 and D17.OD1 other bump:1.55823 Ang Y15.CZ and D17.OD1 other bump:2.76531 Ang Y15.CD1 and D17.CG other bump:1.79947 Ang Y15.CE1 and D17.CG other bump:2.36817 Ang Y15.OH and D17.CG other bump:2.76042 Ang Y15.CE1 and D17.CB other bump:2.10831 Ang Y15.OH and D17.CB other bump:2.66473 Ang Y15.CE2 and D17.CB other bump:2.11217 Ang Y15.CZ and D17.CB T0180 38 :MSAYIRR 1b65A 159 :TEADVRK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0180 46 :ILNHLEDDGGGGGGGGGGGGMVGRRPGGGLK 1b65A 166 :ALDNVASGPVQEGNCGGGTGMITYGFKGGTG Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:3.19846 Ang G24.C and P27.CD neighbor-bump: 2.45634 Ang R26.N and P27.CD other bump:2.21197 Ang G24.O and P27.CD other bump:3.15848 Ang R25.CA and P27.CD other bump:2.01689 Ang R25.O and P27.CD other bump:2.13657 Ang R25.C and P27.CD other bump:3.27466 Ang G24.C and P27.CG other bump:2.04948 Ang G24.O and P27.CG neighbor-bump: 2.38767 Ang D9.CB and G10.N self-bump: 2.18948 Ang D9.CB and D9.C self-bump: 1.28459 Ang D9.CA and D9.CB other bump:2.30191 Ang G1.O and H5.CD2 Number of specific fragments= 3 total=1038 Number of alignments=134 # Reading fragments from alignment file # T0180 read from T0180-1b65A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1b65A read from T0180-1b65A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1b65A in template set T0180 2 :VGRRPGGGLKDTK 1b65A 43 :IENEPRPGRKRPA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.07833 Ang G3.O and T13.CG2 other bump:2.56571 Ang G3.C and T13.CG2 T0180 15 :PVVVRLYPDEIEALKSRVPANTSMSAYIRRIILNHLEDDGGGGGGG 1b65A 140 :PVVAETYDGALNDINGFPVTEADVRKALDNVASGPVQEGNCGGGTG Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues self-bump: 1.2698 Ang D40.CA and D40.CB neighbor-bump: 2.35011 Ang N35.CB and H36.N self-bump: 2.14035 Ang N35.CB and N35.C self-bump: 1.30634 Ang N35.CA and N35.CB self-bump: 1.3922 Ang N22.CA and N22.CB other bump:3.19666 Ang P9.CD and L15.CD2 other bump:2.67188 Ang D10.CB and L15.CD1 other bump:2.00821 Ang D10.CG and L15.CD1 other bump:1.25805 Ang D10.OD2 and L15.CD1 other bump:2.27597 Ang D10.N and L15.CD1 other bump:2.48569 Ang D10.CA and L15.CD1 other bump:2.06313 Ang D10.OD2 and L15.CG other bump:3.22208 Ang D10.CA and L15.CG other bump:2.19408 Ang D10.OD2 and L15.CB other bump:2.06692 Ang Y8.OH and D10.OD1 other bump:2.18006 Ang Y8.CD1 and D10.OD1 other bump:0.85972 Ang Y8.CE1 and D10.OD1 other bump:1.55823 Ang Y8.CZ and D10.OD1 other bump:2.83748 Ang Y8.CE2 and D10.OD1 other bump:2.36817 Ang Y8.OH and D10.CG other bump:2.76531 Ang Y8.CD1 and D10.CG other bump:1.79947 Ang Y8.CE1 and D10.CG other bump:2.10831 Ang Y8.OH and D10.CB other bump:2.76042 Ang Y8.CE1 and D10.CB other bump:2.11217 Ang Y8.CZ and D10.CB other bump:2.66473 Ang Y8.CE2 and D10.CB T0180 61 :GGGGGMVGRRPGGGLKDTKPVVVRLYPDEIEALK 1b65A 193 :GGTGTASRVVEFGGRSFTIGALVQANHGQRDWLT Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues neighbor-bump: 2.68475 Ang P28.C and D29.CB neighbor-bump: 2.45157 Ang Y27.CA and P28.CD neighbor-bump: 2.11552 Ang Y27.C and P28.CD other bump:2.92655 Ang L26.C and P28.CD neighbor-bump: 1.91728 Ang Y27.N and P28.CD other bump:2.53895 Ang R25.CG and Y27.CE1 other bump:2.7541 Ang V24.CG1 and L26.CD2 other bump:2.84393 Ang V24.CG1 and L26.CG other bump:2.26697 Ang R10.CZ and K17.NZ other bump:1.01083 Ang R10.NH2 and K17.NZ other bump:3.30204 Ang R10.NE and K17.NZ other bump:1.94674 Ang R10.CZ and K17.CE other bump:1.28287 Ang R10.NH2 and K17.CE other bump:2.62004 Ang R10.NE and K17.CE other bump:2.86223 Ang R10.NH1 and K17.CE T0180 95 :SRVPANTSMSAYIRRII 1b65A 228 :AGVPVGQHMRDGTPQSQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues Number of specific fragments= 4 total=1042 Number of alignments=135 # Reading fragments from alignment file # T0180 read from T0180-1b65A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1b65A read from T0180-1b65A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1b65A in template set T0180 4 :RRPGGGLKD 1b65A 47 :PRPGRKRPA Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9774 Ang R2.CZ and L8.CD2 other bump:2.87067 Ang R2.NH1 and L8.CD2 other bump:2.51624 Ang R2.NH2 and L8.CD2 other bump:3.06197 Ang R2.CZ and L8.CA other bump:2.51646 Ang R2.NH1 and L8.CA other bump:2.77311 Ang R2.CD and L8.N other bump:2.79578 Ang R2.NE and L8.N other bump:2.39592 Ang R2.CZ and L8.N other bump:1.53911 Ang R2.NH1 and L8.N other bump:2.83889 Ang R2.CG and L8.N other bump:1.97274 Ang R2.CD and G7.C other bump:1.65049 Ang R2.NE and G7.C other bump:1.27717 Ang R2.CZ and G7.C other bump:0.950954 Ang R2.NH1 and G7.C other bump:2.57386 Ang R2.NH2 and G7.C other bump:2.69068 Ang R2.CG and G7.C other bump:2.25209 Ang R2.CD and G7.O other bump:1.10175 Ang R2.NE and G7.O other bump:0.53439 Ang R2.CZ and G7.O other bump:1.54232 Ang R2.NH1 and G7.O other bump:1.62492 Ang R2.NH2 and G7.O other bump:2.24225 Ang R2.CD and G7.CA other bump:2.31614 Ang R2.NE and G7.CA other bump:2.16086 Ang R2.CZ and G7.CA other bump:1.79611 Ang R2.NH1 and G7.CA other bump:3.04377 Ang R2.CD and G7.N other bump:2.6675 Ang R2.NH1 and G7.N T0180 14 :K 1b65A 101 :G Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues neighbor-bump: 2.39821 Ang K2.CB and G3.N self-bump: 2.19101 Ang K2.CB and K2.C self-bump: 1.27818 Ang K2.CA and K2.CB T0180 15 :PVVVRLYPDEIEALKSR 1b65A 140 :PVVAETYDGALNDINGF Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:3.19666 Ang P9.CD and L15.CD2 other bump:2.67188 Ang D10.CB and L15.CD1 other bump:2.00821 Ang D10.CG and L15.CD1 other bump:1.25805 Ang D10.OD2 and L15.CD1 other bump:2.27597 Ang D10.N and L15.CD1 other bump:2.48569 Ang D10.CA and L15.CD1 other bump:2.06313 Ang D10.OD2 and L15.CG other bump:3.22208 Ang D10.CA and L15.CG other bump:2.19408 Ang D10.OD2 and L15.CB other bump:2.06692 Ang Y8.OH and D10.OD1 other bump:2.18006 Ang Y8.CD1 and D10.OD1 other bump:0.85972 Ang Y8.CE1 and D10.OD1 other bump:1.55823 Ang Y8.CZ and D10.OD1 other bump:2.83748 Ang Y8.CE2 and D10.OD1 other bump:2.36817 Ang Y8.OH and D10.CG other bump:2.76531 Ang Y8.CD1 and D10.CG other bump:1.79947 Ang Y8.CE1 and D10.CG other bump:2.10831 Ang Y8.OH and D10.CB other bump:2.76042 Ang Y8.CE1 and D10.CB other bump:2.11217 Ang Y8.CZ and D10.CB other bump:2.66473 Ang Y8.CE2 and D10.CB T0180 36 :TSMSAYIRRIILN 1b65A 157 :PVTEADVRKALDN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.92065 Ang T2.O and Y7.CE2 T0180 50 :LEDDGGGGGGGGGGGGMVGRRPG 1b65A 170 :VASGPVQEGNCGGGTGMITYGFK Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:3.19846 Ang G20.C and P23.CD neighbor-bump: 2.45634 Ang R22.N and P23.CD other bump:2.21197 Ang G20.O and P23.CD other bump:3.15848 Ang R21.CA and P23.CD other bump:2.01689 Ang R21.O and P23.CD other bump:2.13657 Ang R21.C and P23.CD other bump:3.27466 Ang G20.C and P23.CG other bump:2.04948 Ang G20.O and P23.CG neighbor-bump: 2.38767 Ang D5.CB and G6.N self-bump: 2.18948 Ang D5.CB and D5.C self-bump: 1.28459 Ang D5.CA and D5.CB T0180 73 :GGLKDTKPVVVRLYPDEIEALK 1b65A 205 :GGRSFTIGALVQANHGQRDWLT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.68475 Ang P16.C and D17.CB neighbor-bump: 2.45157 Ang Y15.CA and P16.CD neighbor-bump: 2.11552 Ang Y15.C and P16.CD neighbor-bump: 1.91728 Ang Y15.N and P16.CD other bump:2.92655 Ang L14.C and P16.CD other bump:2.53895 Ang R13.CG and Y15.CE1 other bump:2.7541 Ang V12.CG1 and L14.CD2 other bump:2.84393 Ang V12.CG1 and L14.CG T0180 95 :SRVPANTSMSAYIRRII 1b65A 228 :AGVPVGQHMRDGTPQSQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues Number of specific fragments= 7 total=1049 Number of alignments=136 # Reading fragments from alignment file # T0180 read from T0180-1b65A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1b65A read from T0180-1b65A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1b65A in template set T0180 15 :PVVVRLYPDEIEALKSRVPANTSM 1b65A 140 :PVVAETYDGALNDINGFPVTEADV Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues self-bump: 1.3922 Ang N22.CA and N22.CB other bump:3.19666 Ang P9.CD and L15.CD2 other bump:2.00821 Ang D10.CG and L15.CD1 other bump:1.25805 Ang D10.OD2 and L15.CD1 other bump:2.67188 Ang D10.CB and L15.CD1 other bump:2.27597 Ang D10.N and L15.CD1 other bump:2.48569 Ang D10.CA and L15.CD1 other bump:2.06313 Ang D10.OD2 and L15.CG other bump:3.22208 Ang D10.CA and L15.CG other bump:2.19408 Ang D10.OD2 and L15.CB other bump:2.06692 Ang Y8.OH and D10.OD1 other bump:2.18006 Ang Y8.CD1 and D10.OD1 other bump:0.85972 Ang Y8.CE1 and D10.OD1 other bump:1.55823 Ang Y8.CZ and D10.OD1 other bump:2.83748 Ang Y8.CE2 and D10.OD1 other bump:2.36817 Ang Y8.OH and D10.CG other bump:2.76531 Ang Y8.CD1 and D10.CG other bump:1.79947 Ang Y8.CE1 and D10.CG other bump:2.10831 Ang Y8.OH and D10.CB other bump:2.76042 Ang Y8.CE1 and D10.CB other bump:2.11217 Ang Y8.CZ and D10.CB other bump:2.66473 Ang Y8.CE2 and D10.CB T0180 44 :RIILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1b65A 164 :RKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:3.15848 Ang R27.CA and P29.CD other bump:3.19846 Ang G26.C and P29.CD neighbor-bump: 2.45634 Ang R28.N and P29.CD other bump:2.21197 Ang G26.O and P29.CD other bump:2.01689 Ang R27.O and P29.CD other bump:2.13657 Ang R27.C and P29.CD other bump:3.27466 Ang G26.C and P29.CG other bump:2.04948 Ang G26.O and P29.CG neighbor-bump: 2.38767 Ang D11.CB and G12.N self-bump: 2.18948 Ang D11.CB and D11.C self-bump: 1.28459 Ang D11.CA and D11.CB other bump:2.30191 Ang I3.O and H7.CD2 Number of specific fragments= 2 total=1051 Number of alignments=137 # Reading fragments from alignment file # T0180 read from T0180-1b65A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1b65A read from T0180-1b65A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1b65A in template set T0180 9 :GLKDTKPVVVRLYPDEIEALKSRVPA 1b65A 134 :DFLWIMPVVAETYDGALNDINGFPVT Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.19666 Ang P15.CD and L21.CD2 other bump:2.00821 Ang D16.CG and L21.CD1 other bump:1.25805 Ang D16.OD2 and L21.CD1 other bump:2.27597 Ang D16.N and L21.CD1 other bump:2.48569 Ang D16.CA and L21.CD1 other bump:2.67188 Ang D16.CB and L21.CD1 other bump:2.06313 Ang D16.OD2 and L21.CG other bump:3.22208 Ang D16.CA and L21.CG other bump:2.19408 Ang D16.OD2 and L21.CB other bump:2.18006 Ang Y14.CD1 and D16.OD1 other bump:0.85972 Ang Y14.CE1 and D16.OD1 other bump:2.06692 Ang Y14.OH and D16.OD1 other bump:2.83748 Ang Y14.CE2 and D16.OD1 other bump:1.55823 Ang Y14.CZ and D16.OD1 other bump:2.76531 Ang Y14.CD1 and D16.CG other bump:1.79947 Ang Y14.CE1 and D16.CG other bump:2.36817 Ang Y14.OH and D16.CG other bump:2.76042 Ang Y14.CE1 and D16.CB other bump:2.10831 Ang Y14.OH and D16.CB other bump:2.66473 Ang Y14.CE2 and D16.CB other bump:2.11217 Ang Y14.CZ and D16.CB T0180 39 :SAYIRRII 1b65A 160 :EADVRKAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0180 48 :NHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1b65A 168 :DNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVV Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:3.19846 Ang G22.C and P25.CD neighbor-bump: 2.45634 Ang R24.N and P25.CD other bump:2.21197 Ang G22.O and P25.CD other bump:3.15848 Ang R23.CA and P25.CD other bump:2.01689 Ang R23.O and P25.CD other bump:2.13657 Ang R23.C and P25.CD other bump:3.27466 Ang G22.C and P25.CG other bump:2.04948 Ang G22.O and P25.CG neighbor-bump: 2.38767 Ang D7.CB and G8.N self-bump: 2.18948 Ang D7.CB and D7.C self-bump: 1.28459 Ang D7.CA and D7.CB Number of specific fragments= 3 total=1054 Number of alignments=138 # Reading fragments from alignment file # T0180 read from T0180-1b65A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1b65A read from T0180-1b65A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1b65A in template set T0180 10 :LK 1b65A 10 :PR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0180 12 :DTKPVVVRLYPDEIEALKSRVPANTSMSA 1b65A 33 :DGVGVGFQTIIENEPRPGRKRPARSGVTA Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues neighbor-bump: 2.06304 Ang T26.O and S27.OG neighbor-bump: 2.62129 Ang T26.C and S27.OG neighbor-bump: 3.056 Ang V22.CG1 and P23.CD other bump:2.98277 Ang E16.CD and V22.N other bump:2.13306 Ang E16.CD and R21.C other bump:2.9302 Ang E16.CG and R21.C other bump:1.26139 Ang E16.OE2 and R21.C other bump:2.33717 Ang E16.CD and R21.O other bump:1.14837 Ang E16.OE2 and R21.O other bump:2.32796 Ang E16.CD and R21.CA other bump:2.58557 Ang E16.OE1 and R21.CA other bump:1.862 Ang E16.OE2 and R21.CA other bump:3.1643 Ang E16.CD and R21.N other bump:2.33286 Ang E16.OE1 and S20.O self-bump: 1.28488 Ang L18.CA and L18.CB neighbor-bump: 2.11772 Ang Y11.C and P12.CD neighbor-bump: 2.82238 Ang Y11.C and P12.CG other bump:2.2079 Ang R9.NH1 and Y11.OH other bump:1.31916 Ang R9.NH2 and Y11.OH other bump:2.51086 Ang R9.CD and Y11.OH other bump:1.0925 Ang R9.NE and Y11.OH other bump:0.916941 Ang R9.CZ and Y11.OH other bump:2.29537 Ang R9.NH2 and Y11.CZ other bump:1.89706 Ang R9.NE and Y11.CZ other bump:2.06699 Ang R9.CZ and Y11.CZ other bump:2.68656 Ang R9.NH2 and Y11.CE2 other bump:3.06557 Ang R9.CZ and Y11.CE2 other bump:2.78962 Ang R9.CG and Y11.CE1 other bump:2.57065 Ang R9.CD and Y11.CE1 other bump:2.29471 Ang R9.NE and Y11.CE1 other bump:2.85924 Ang R9.CZ and Y11.CE1 other bump:2.25302 Ang V8.CG1 and L10.CD1 other bump:2.86294 Ang V8.CG1 and L10.CG T0180 46 :ILNHLEDDGGGGGGGG 1b65A 62 :ILPHMQSETPVPVYAG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:3.29816 Ang D8.CG and G10.C other bump:1.85938 Ang D8.OD2 and G10.O other bump:2.23229 Ang D8.CG and G10.O other bump:3.17279 Ang D8.CG and G10.N other bump:2.24223 Ang L3.CB and L6.CD2 other bump:2.70582 Ang L3.CG and L6.CD2 other bump:2.31126 Ang L3.CD1 and L6.CD2 T0180 62 :GGGGMVGRR 1b65A 83 :GNGEMTGTH Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31508 Ang M6.CB and R9.NH2 other bump:2.49351 Ang M6.CG and R9.NH2 other bump:1.80692 Ang M6.SD and R9.NH2 other bump:1.92175 Ang M6.CE and R9.NH2 other bump:1.98571 Ang M6.CB and R9.NH1 other bump:1.99474 Ang M6.CB and R9.CZ other bump:2.43272 Ang M6.CG and R9.CZ other bump:2.26708 Ang M6.SD and R9.CZ other bump:3.10223 Ang M6.CE and R9.CZ other bump:2.81714 Ang M6.CB and R9.NE other bump:2.67798 Ang M6.CG and R9.NE other bump:2.26736 Ang M6.SD and R9.NE T0180 71 :PGGGLKDTKPVVVRLYPDEIEALKSRVPANTSMSAYIRRIILNHLEDD 1b65A 131 :QTDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVASGPVQEG Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues neighbor-bump: 1.72866 Ang D48.O and D49.CB neighbor-bump: 2.33349 Ang D48.C and D49.CB neighbor-bump: 2.35011 Ang N44.CB and H45.N self-bump: 2.14035 Ang N44.CB and N44.C self-bump: 1.30634 Ang N44.CA and N44.CB self-bump: 1.3922 Ang N31.CA and N31.CB other bump:3.19666 Ang P18.CD and L24.CD2 other bump:2.00821 Ang D19.CG and L24.CD1 other bump:1.25805 Ang D19.OD2 and L24.CD1 other bump:2.27597 Ang D19.N and L24.CD1 other bump:2.48569 Ang D19.CA and L24.CD1 other bump:2.67188 Ang D19.CB and L24.CD1 other bump:2.06313 Ang D19.OD2 and L24.CG other bump:3.22208 Ang D19.CA and L24.CG other bump:2.19408 Ang D19.OD2 and L24.CB other bump:2.18006 Ang Y17.CD1 and D19.OD1 other bump:0.85972 Ang Y17.CE1 and D19.OD1 other bump:2.83748 Ang Y17.CE2 and D19.OD1 other bump:1.55823 Ang Y17.CZ and D19.OD1 other bump:2.06692 Ang Y17.OH and D19.OD1 other bump:2.76531 Ang Y17.CD1 and D19.CG other bump:1.79947 Ang Y17.CE1 and D19.CG other bump:2.36817 Ang Y17.OH and D19.CG other bump:2.76042 Ang Y17.CE1 and D19.CB other bump:2.66473 Ang Y17.CE2 and D19.CB other bump:2.11217 Ang Y17.CZ and D19.CB other bump:2.10831 Ang Y17.OH and D19.CB Number of specific fragments= 5 total=1059 Number of alignments=139 # Reading fragments from alignment file # T0180 read from T0180-1b65A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1b65A read from T0180-1b65A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1b65A in template set T0180 4 :RRPGGGLKDTKPVVVRLY 1b65A 23 :TGPYNAITDVDGVGVGFQ Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 1.53517 Ang K12.CA and P13.CD neighbor-bump: 1.81954 Ang K12.O and P13.CD neighbor-bump: 0.80041 Ang K12.C and P13.CD self-bump: 1.32822 Ang P13.N and P13.CD neighbor-bump: 2.12718 Ang K12.CB and P13.CD neighbor-bump: 2.24208 Ang K12.CG and P13.CD neighbor-bump: 2.89402 Ang K12.CA and P13.CG neighbor-bump: 1.98251 Ang K12.O and P13.CG neighbor-bump: 1.87394 Ang K12.C and P13.CG self-bump: 2.17909 Ang P13.N and P13.CG neighbor-bump: 2.90055 Ang K12.CB and P13.CG neighbor-bump: 2.43588 Ang K12.CG and P13.CG neighbor-bump: 2.04345 Ang K12.O and P13.CB neighbor-bump: 2.31779 Ang K12.C and P13.CB other bump:2.77268 Ang R3.CG and D10.OD2 other bump:1.85249 Ang R3.CB and D10.OD2 other bump:2.86644 Ang R3.CG and D10.CG other bump:2.60296 Ang R3.CD and D10.CG other bump:2.11579 Ang R3.CB and D10.CG other bump:2.31431 Ang R3.CG and D10.CB other bump:1.59953 Ang R3.CD and D10.CB other bump:2.62456 Ang R3.NE and D10.CB other bump:2.46426 Ang R3.CB and D10.CB other bump:2.82603 Ang R3.CD and D10.CA other bump:2.5475 Ang R3.NH1 and L8.C other bump:2.36277 Ang R3.NH1 and L8.CA other bump:2.65753 Ang R3.NH1 and L8.N other bump:3.11387 Ang R3.CZ and L8.N other bump:2.21655 Ang R3.NH1 and G7.C other bump:2.18697 Ang R3.NH2 and G7.C other bump:2.2746 Ang R3.CZ and G7.C other bump:1.4235 Ang R3.NH1 and G7.O other bump:2.19241 Ang R3.NH2 and G7.O other bump:1.55485 Ang R3.CZ and G7.O other bump:2.76563 Ang R3.NH2 and G7.CA other bump:3.2682 Ang R2.CD and G6.CA T0180 22 :PDEIE 1b65A 44 :ENEPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0180 28 :LKSRVPANTSM 1b65A 49 :PGRKRPARSGV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.62129 Ang T10.C and S11.OG neighbor-bump: 2.06304 Ang T10.O and S11.OG neighbor-bump: 3.056 Ang V6.CG1 and P7.CD self-bump: 1.28488 Ang L2.CA and L2.CB T0180 44 :RIILNHLEDDGG 1b65A 60 :TAILPHMQSETP Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.29816 Ang D10.CG and G12.C other bump:1.85938 Ang D10.OD2 and G12.O other bump:2.23229 Ang D10.CG and G12.O other bump:3.17279 Ang D10.CG and G12.N other bump:2.70582 Ang L5.CG and L8.CD2 other bump:2.31126 Ang L5.CD1 and L8.CD2 other bump:2.24223 Ang L5.CB and L8.CD2 T0180 59 :GGGGGGGMVG 1b65A 80 :RFNGNGEMTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0180 69 :R 1b65A 102 :P Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0180 71 :PGGGLKDTKPVVVRLYPDEIEALKSRVPA 1b65A 131 :QTDDFLWIMPVVAETYDGALNDINGFPVT Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:3.19666 Ang P18.CD and L24.CD2 other bump:2.00821 Ang D19.CG and L24.CD1 other bump:1.25805 Ang D19.OD2 and L24.CD1 other bump:2.27597 Ang D19.N and L24.CD1 other bump:2.48569 Ang D19.CA and L24.CD1 other bump:2.67188 Ang D19.CB and L24.CD1 other bump:2.06313 Ang D19.OD2 and L24.CG other bump:3.22208 Ang D19.CA and L24.CG other bump:2.19408 Ang D19.OD2 and L24.CB other bump:2.18006 Ang Y17.CD1 and D19.OD1 other bump:0.85972 Ang Y17.CE1 and D19.OD1 other bump:2.06692 Ang Y17.OH and D19.OD1 other bump:2.83748 Ang Y17.CE2 and D19.OD1 other bump:1.55823 Ang Y17.CZ and D19.OD1 other bump:2.76531 Ang Y17.CD1 and D19.CG other bump:1.79947 Ang Y17.CE1 and D19.CG other bump:2.36817 Ang Y17.OH and D19.CG other bump:2.76042 Ang Y17.CE1 and D19.CB other bump:2.10831 Ang Y17.OH and D19.CB other bump:2.66473 Ang Y17.CE2 and D19.CB other bump:2.11217 Ang Y17.CZ and D19.CB T0180 104 :SAYIRRIILNHLE 1b65A 160 :EADVRKALDNVAS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.5854 Ang H12.O and L13.CD2 neighbor-bump: 2.94637 Ang H12.CD2 and L13.N Number of specific fragments= 8 total=1067 Number of alignments=140 # Reading fragments from alignment file # T0180 read from T0180-1b65A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1b65A read from T0180-1b65A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1b65A in template set T0180 8 :GGLKDTKPVVVRLYPDEIEALKSRVPANTSM 1b65A 133 :DDFLWIMPVVAETYDGALNDINGFPVTEADV Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues self-bump: 1.3922 Ang N29.CA and N29.CB other bump:3.19666 Ang P16.CD and L22.CD2 other bump:2.00821 Ang D17.CG and L22.CD1 other bump:1.25805 Ang D17.OD2 and L22.CD1 other bump:2.27597 Ang D17.N and L22.CD1 other bump:2.48569 Ang D17.CA and L22.CD1 other bump:2.67188 Ang D17.CB and L22.CD1 other bump:2.06313 Ang D17.OD2 and L22.CG other bump:3.22208 Ang D17.CA and L22.CG other bump:2.19408 Ang D17.OD2 and L22.CB other bump:2.18006 Ang Y15.CD1 and D17.OD1 other bump:0.85972 Ang Y15.CE1 and D17.OD1 other bump:2.06692 Ang Y15.OH and D17.OD1 other bump:2.83748 Ang Y15.CE2 and D17.OD1 other bump:1.55823 Ang Y15.CZ and D17.OD1 other bump:2.76531 Ang Y15.CD1 and D17.CG other bump:1.79947 Ang Y15.CE1 and D17.CG other bump:2.36817 Ang Y15.OH and D17.CG other bump:2.76042 Ang Y15.CE1 and D17.CB other bump:2.10831 Ang Y15.OH and D17.CB other bump:2.66473 Ang Y15.CE2 and D17.CB other bump:2.11217 Ang Y15.CZ and D17.CB T0180 44 :RIILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1b65A 164 :RKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:3.15848 Ang R27.CA and P29.CD other bump:3.19846 Ang G26.C and P29.CD neighbor-bump: 2.45634 Ang R28.N and P29.CD other bump:2.21197 Ang G26.O and P29.CD other bump:2.01689 Ang R27.O and P29.CD other bump:2.13657 Ang R27.C and P29.CD other bump:3.27466 Ang G26.C and P29.CG other bump:2.04948 Ang G26.O and P29.CG neighbor-bump: 2.38767 Ang D11.CB and G12.N self-bump: 2.18948 Ang D11.CB and D11.C self-bump: 1.28459 Ang D11.CA and D11.CB other bump:2.30191 Ang I3.O and H7.CD2 Number of specific fragments= 2 total=1069 Number of alignments=141 # Reading fragments from alignment file # T0180 read from T0180-1b65A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1b65A read from T0180-1b65A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1b65A in template set T0180 8 :GGLKDTKPVVVRLYPDEIEALKSRVPA 1b65A 133 :DDFLWIMPVVAETYDGALNDINGFPVT Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:3.19666 Ang P16.CD and L22.CD2 other bump:2.00821 Ang D17.CG and L22.CD1 other bump:1.25805 Ang D17.OD2 and L22.CD1 other bump:2.27597 Ang D17.N and L22.CD1 other bump:2.48569 Ang D17.CA and L22.CD1 other bump:2.67188 Ang D17.CB and L22.CD1 other bump:2.06313 Ang D17.OD2 and L22.CG other bump:3.22208 Ang D17.CA and L22.CG other bump:2.19408 Ang D17.OD2 and L22.CB other bump:2.18006 Ang Y15.CD1 and D17.OD1 other bump:0.85972 Ang Y15.CE1 and D17.OD1 other bump:2.06692 Ang Y15.OH and D17.OD1 other bump:2.83748 Ang Y15.CE2 and D17.OD1 other bump:1.55823 Ang Y15.CZ and D17.OD1 other bump:2.76531 Ang Y15.CD1 and D17.CG other bump:1.79947 Ang Y15.CE1 and D17.CG other bump:2.36817 Ang Y15.OH and D17.CG other bump:2.76042 Ang Y15.CE1 and D17.CB other bump:2.10831 Ang Y15.OH and D17.CB other bump:2.66473 Ang Y15.CE2 and D17.CB other bump:2.11217 Ang Y15.CZ and D17.CB T0180 39 :SAYIR 1b65A 160 :EADVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0180 45 :IILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPVV 1b65A 165 :KALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:3.15848 Ang R26.CA and P28.CD other bump:3.19846 Ang G25.C and P28.CD neighbor-bump: 2.45634 Ang R27.N and P28.CD other bump:2.21197 Ang G25.O and P28.CD other bump:2.01689 Ang R26.O and P28.CD other bump:2.13657 Ang R26.C and P28.CD other bump:3.27466 Ang G25.C and P28.CG other bump:2.04948 Ang G25.O and P28.CG neighbor-bump: 2.38767 Ang D10.CB and G11.N self-bump: 2.18948 Ang D10.CB and D10.C self-bump: 1.28459 Ang D10.CA and D10.CB other bump:2.30191 Ang I2.O and H6.CD2 Number of specific fragments= 3 total=1072 Number of alignments=142 # Reading fragments from alignment file # T0180 read from T0180-1b65A-local-adpstyle1.pw.a2m.gz # 1b65A read from T0180-1b65A-local-adpstyle1.pw.a2m.gz # found chain 1b65A in template set T0180 58 :GGGGGGGGMVGRRPGGGLKDTKPVV 1b65A 178 :GNCGGGTGMITYGFKGGTGTASRVV Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.19846 Ang G12.C and P15.CD neighbor-bump: 2.45634 Ang R14.N and P15.CD other bump:2.21197 Ang G12.O and P15.CD other bump:3.15848 Ang R13.CA and P15.CD other bump:2.01689 Ang R13.O and P15.CD other bump:2.13657 Ang R13.C and P15.CD other bump:3.27466 Ang G12.C and P15.CG other bump:2.04948 Ang G12.O and P15.CG Number of specific fragments= 1 total=1073 Number of alignments=143 # Reading fragments from alignment file # T0180 read from T0180-1b65A-local-adpstyle5.pw.a2m.gz # 1b65A read from T0180-1b65A-local-adpstyle5.pw.a2m.gz # found chain 1b65A in template set T0180 14 :KPVVVRLYPDEIEALKSRVPA 1b65A 139 :MPVVAETYDGALNDINGFPVT Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:3.19666 Ang P10.CD and L16.CD2 other bump:2.00821 Ang D11.CG and L16.CD1 other bump:2.67188 Ang D11.CB and L16.CD1 other bump:1.25805 Ang D11.OD2 and L16.CD1 other bump:2.27597 Ang D11.N and L16.CD1 other bump:2.48569 Ang D11.CA and L16.CD1 other bump:2.06313 Ang D11.OD2 and L16.CG other bump:3.22208 Ang D11.CA and L16.CG other bump:2.19408 Ang D11.OD2 and L16.CB other bump:2.06692 Ang Y9.OH and D11.OD1 other bump:2.18006 Ang Y9.CD1 and D11.OD1 other bump:0.85972 Ang Y9.CE1 and D11.OD1 other bump:1.55823 Ang Y9.CZ and D11.OD1 other bump:2.83748 Ang Y9.CE2 and D11.OD1 other bump:2.36817 Ang Y9.OH and D11.CG other bump:2.76531 Ang Y9.CD1 and D11.CG other bump:1.79947 Ang Y9.CE1 and D11.CG other bump:2.10831 Ang Y9.OH and D11.CB other bump:2.76042 Ang Y9.CE1 and D11.CB other bump:2.11217 Ang Y9.CZ and D11.CB other bump:2.66473 Ang Y9.CE2 and D11.CB T0180 39 :SAYIRR 1b65A 160 :EADVRK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0180 46 :ILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1b65A 166 :ALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:3.15848 Ang R25.CA and P27.CD other bump:3.19846 Ang G24.C and P27.CD neighbor-bump: 2.45634 Ang R26.N and P27.CD other bump:2.21197 Ang G24.O and P27.CD other bump:2.01689 Ang R25.O and P27.CD other bump:2.13657 Ang R25.C and P27.CD other bump:3.27466 Ang G24.C and P27.CG other bump:2.04948 Ang G24.O and P27.CG neighbor-bump: 2.38767 Ang D9.CB and G10.N self-bump: 2.18948 Ang D9.CB and D9.C self-bump: 1.28459 Ang D9.CA and D9.CB other bump:2.30191 Ang G1.O and H5.CD2 Number of specific fragments= 3 total=1076 Number of alignments=144 # Reading fragments from alignment file # T0180 read from T0180-1b65A-simpleSW-adpstyle1.pw.a2m.gz # 1b65A read from T0180-1b65A-simpleSW-adpstyle1.pw.a2m.gz # found chain 1b65A in template set T0180 58 :GGGGGGGGMVGRRPGGGLKDTKPVV 1b65A 178 :GNCGGGTGMITYGFKGGTGTASRVV Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.19846 Ang G12.C and P15.CD neighbor-bump: 2.45634 Ang R14.N and P15.CD other bump:2.21197 Ang G12.O and P15.CD other bump:3.15848 Ang R13.CA and P15.CD other bump:2.01689 Ang R13.O and P15.CD other bump:2.13657 Ang R13.C and P15.CD other bump:3.27466 Ang G12.C and P15.CG other bump:2.04948 Ang G12.O and P15.CG Number of specific fragments= 1 total=1077 Number of alignments=145 # Reading fragments from alignment file # T0180 read from T0180-1b65A-simpleSW-adpstyle5.pw.a2m.gz # 1b65A read from T0180-1b65A-simpleSW-adpstyle5.pw.a2m.gz # found chain 1b65A in template set T0180 43 :RR 1b65A 164 :RK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0180 46 :ILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKD 1b65A 166 :ALDNVASGPVQEGNCGGGTGMITYGFKGGTGT Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.19846 Ang G24.C and P27.CD neighbor-bump: 2.45634 Ang R26.N and P27.CD other bump:2.21197 Ang G24.O and P27.CD other bump:3.15848 Ang R25.CA and P27.CD other bump:2.01689 Ang R25.O and P27.CD other bump:2.13657 Ang R25.C and P27.CD other bump:3.27466 Ang G24.C and P27.CG other bump:2.04948 Ang G24.O and P27.CG neighbor-bump: 2.38767 Ang D9.CB and G10.N self-bump: 2.18948 Ang D9.CB and D9.C self-bump: 1.28459 Ang D9.CA and D9.CB other bump:2.30191 Ang G1.O and H5.CD2 Number of specific fragments= 2 total=1079 Number of alignments=146 # Reading fragments from alignment file # T0180 read from T0180-1b65A-vit-adpstyle1.pw.a2m.gz # 1b65A read from T0180-1b65A-vit-adpstyle1.pw.a2m.gz # found chain 1b65A in template set T0180 58 :GGGGGGGGMVGRRPGGGLKDTKPVV 1b65A 178 :GNCGGGTGMITYGFKGGTGTASRVV Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.19846 Ang G12.C and P15.CD neighbor-bump: 2.45634 Ang R14.N and P15.CD other bump:2.21197 Ang G12.O and P15.CD other bump:3.15848 Ang R13.CA and P15.CD other bump:2.01689 Ang R13.O and P15.CD other bump:2.13657 Ang R13.C and P15.CD other bump:3.27466 Ang G12.C and P15.CG other bump:2.04948 Ang G12.O and P15.CG Number of specific fragments= 1 total=1080 Number of alignments=147 # Reading fragments from alignment file # T0180 read from T0180-1b65A-vit-adpstyle5.pw.a2m.gz # 1b65A read from T0180-1b65A-vit-adpstyle5.pw.a2m.gz # found chain 1b65A in template set T0180 14 :KPVVVRLYPDEIEALKSRVPA 1b65A 139 :MPVVAETYDGALNDINGFPVT Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:3.19666 Ang P10.CD and L16.CD2 other bump:2.00821 Ang D11.CG and L16.CD1 other bump:2.67188 Ang D11.CB and L16.CD1 other bump:1.25805 Ang D11.OD2 and L16.CD1 other bump:2.27597 Ang D11.N and L16.CD1 other bump:2.48569 Ang D11.CA and L16.CD1 other bump:2.06313 Ang D11.OD2 and L16.CG other bump:3.22208 Ang D11.CA and L16.CG other bump:2.19408 Ang D11.OD2 and L16.CB other bump:2.06692 Ang Y9.OH and D11.OD1 other bump:2.18006 Ang Y9.CD1 and D11.OD1 other bump:0.85972 Ang Y9.CE1 and D11.OD1 other bump:1.55823 Ang Y9.CZ and D11.OD1 other bump:2.83748 Ang Y9.CE2 and D11.OD1 other bump:2.36817 Ang Y9.OH and D11.CG other bump:2.76531 Ang Y9.CD1 and D11.CG other bump:1.79947 Ang Y9.CE1 and D11.CG other bump:2.10831 Ang Y9.OH and D11.CB other bump:2.76042 Ang Y9.CE1 and D11.CB other bump:2.11217 Ang Y9.CZ and D11.CB other bump:2.66473 Ang Y9.CE2 and D11.CB T0180 39 :SAYIRR 1b65A 160 :EADVRK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0180 46 :ILNHLEDDGGGGGGGGGGGGMVGRRPGGGLKDTKPV 1b65A 166 :ALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:3.15848 Ang R25.CA and P27.CD other bump:3.19846 Ang G24.C and P27.CD neighbor-bump: 2.45634 Ang R26.N and P27.CD other bump:2.21197 Ang G24.O and P27.CD other bump:2.01689 Ang R25.O and P27.CD other bump:2.13657 Ang R25.C and P27.CD other bump:3.27466 Ang G24.C and P27.CG other bump:2.04948 Ang G24.O and P27.CG neighbor-bump: 2.38767 Ang D9.CB and G10.N self-bump: 2.18948 Ang D9.CB and D9.C self-bump: 1.28459 Ang D9.CA and D9.CB other bump:2.30191 Ang G1.O and H5.CD2 Number of specific fragments= 3 total=1083 Number of alignments=148 # command:# Prefix for input files set to 2tldE/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0180 read from T0180-2tldE-local-adpstyle1.pw.a2m.gz # 2tldE read from T0180-2tldE-local-adpstyle1.pw.a2m.gz # adding 2tldE to template set 2tldE:Skipped atom 165, because occupancy 1 <= existing 1 Skipped atom 170, because occupancy 1 <= existing 1 Skipped atom 199, because occupancy 1 <= existing 1 # found chain 2tldE in template set Number of specific fragments= 0 total=1083 # Reading fragments from alignment file # T0180 read from T0180-2tldE-local-adpstyle5.pw.a2m.gz # 2tldE read from T0180-2tldE-local-adpstyle5.pw.a2m.gz # found chain 2tldE in template set Number of specific fragments= 0 total=1083 # Reading fragments from alignment file # T0180 read from T0180-2tldE-simpleSW-adpstyle1.pw.a2m.gz # 2tldE read from T0180-2tldE-simpleSW-adpstyle1.pw.a2m.gz # found chain 2tldE in template set Number of specific fragments= 0 total=1083 # Reading fragments from alignment file # T0180 read from T0180-2tldE-simpleSW-adpstyle5.pw.a2m.gz # 2tldE read from T0180-2tldE-simpleSW-adpstyle5.pw.a2m.gz # found chain 2tldE in template set Number of specific fragments= 0 total=1083 # Reading fragments from alignment file # T0180 read from T0180-2tldE-vit-adpstyle1.pw.a2m.gz # 2tldE read from T0180-2tldE-vit-adpstyle1.pw.a2m.gz # found chain 2tldE in template set Number of specific fragments= 0 total=1083 # Reading fragments from alignment file # T0180 read from T0180-2tldE-vit-adpstyle5.pw.a2m.gz # 2tldE read from T0180-2tldE-vit-adpstyle5.pw.a2m.gz # found chain 2tldE in template set Number of specific fragments= 0 total=1083 # command:# Prefix for input files set to 1qqfA/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0180 read from 1qqfA-T0180-local-adpstyle1.pw.a2m.gz # 1qqfA read from 1qqfA-T0180-local-adpstyle1.pw.a2m.gz # found chain 1qqfA in template set T0180 4 :RRPGGGLKDTKPVVVRL 1qqfA 1260 :RYYGGGYGSTQATFMVF Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.70927 Ang R3.CB and R17.NH1 other bump:2.39221 Ang R3.CG and R17.NH1 other bump:1.96478 Ang R3.NE and R17.NH1 other bump:2.26131 Ang R3.CD and R17.NH1 other bump:2.75396 Ang R3.CB and R17.CZ other bump:2.71414 Ang R3.NE and R17.CZ other bump:3.12865 Ang R3.NE and R17.NE other bump:2.86137 Ang R3.CG and R17.CD other bump:3.09676 Ang R3.NE and R17.CD other bump:2.08129 Ang R3.CD and R17.CD other bump:2.46238 Ang R3.NH1 and R17.CB other bump:1.71977 Ang P4.O and D10.OD1 other bump:2.71911 Ang P4.C and D10.OD1 other bump:2.79678 Ang G7.CA and D10.OD1 other bump:2.50439 Ang P4.O and D10.CG other bump:3.271 Ang P4.C and D10.CG neighbor-bump: 2.88005 Ang L8.CD2 and K9.CE neighbor-bump: 2.26525 Ang R3.O and P4.CD neighbor-bump: 1.63928 Ang R3.C and P4.CD self-bump: 2.21623 Ang P4.CA and P4.CD Number of specific fragments= 1 total=1084 # Reading fragments from alignment file # T0180 read from 1qqfA-T0180-local-adpstyle5.pw.a2m.gz # 1qqfA read from 1qqfA-T0180-local-adpstyle5.pw.a2m.gz # found chain 1qqfA in template set T0180 29 :KSRVPANTSMSAYIRRIILNHLEDDG 1qqfA 1134 :RNTKEADVSLTAFVLIALQEARDICE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.42997 Ang I18.O and H22.CD2 other bump:2.63828 Ang Y14.CE2 and I18.CD1 other bump:2.93161 Ang Y14.CZ and I18.CD1 neighbor-bump: 3.10805 Ang V5.CG1 and P6.CA neighbor-bump: 1.95289 Ang V5.CG1 and P6.N self-bump: 2.34743 Ang V5.CG1 and V5.C self-bump: 1.29695 Ang V5.CA and V5.CB Number of specific fragments= 1 total=1085 Number of alignments=149 # Reading fragments from alignment file # T0180 read from 1qqfA-T0180-vit-adpstyle1.pw.a2m.gz # 1qqfA read from 1qqfA-T0180-vit-adpstyle1.pw.a2m.gz # found chain 1qqfA in template set T0180 4 :RRPGGGLKDTKPVVVRL 1qqfA 1260 :RYYGGGYGSTQATFMVF Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.70927 Ang R3.CB and R17.NH1 other bump:2.39221 Ang R3.CG and R17.NH1 other bump:1.96478 Ang R3.NE and R17.NH1 other bump:2.26131 Ang R3.CD and R17.NH1 other bump:2.75396 Ang R3.CB and R17.CZ other bump:2.71414 Ang R3.NE and R17.CZ other bump:3.12865 Ang R3.NE and R17.NE other bump:2.86137 Ang R3.CG and R17.CD other bump:3.09676 Ang R3.NE and R17.CD other bump:2.08129 Ang R3.CD and R17.CD other bump:2.46238 Ang R3.NH1 and R17.CB other bump:1.71977 Ang P4.O and D10.OD1 other bump:2.71911 Ang P4.C and D10.OD1 other bump:2.79678 Ang G7.CA and D10.OD1 other bump:2.50439 Ang P4.O and D10.CG other bump:3.271 Ang P4.C and D10.CG neighbor-bump: 2.88005 Ang L8.CD2 and K9.CE neighbor-bump: 2.26525 Ang R3.O and P4.CD neighbor-bump: 1.63928 Ang R3.C and P4.CD self-bump: 2.21623 Ang P4.CA and P4.CD Number of specific fragments= 1 total=1086 # Reading fragments from alignment file # T0180 read from 1qqfA-T0180-vit-adpstyle5.pw.a2m.gz # 1qqfA read from 1qqfA-T0180-vit-adpstyle5.pw.a2m.gz # found chain 1qqfA in template set T0180 29 :KSRVPANTSMSAYIRRIILNHLEDDG 1qqfA 1134 :RNTKEADVSLTAFVLIALQEARDICE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.42997 Ang I18.O and H22.CD2 other bump:2.63828 Ang Y14.CE2 and I18.CD1 other bump:2.93161 Ang Y14.CZ and I18.CD1 neighbor-bump: 3.10805 Ang V5.CG1 and P6.CA neighbor-bump: 1.95289 Ang V5.CG1 and P6.N self-bump: 2.34743 Ang V5.CG1 and V5.C self-bump: 1.29695 Ang V5.CA and V5.CB Number of specific fragments= 1 total=1087 Number of alignments=150 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1qqfA read from T0180-1qqfA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1qqfA in template set T0180 2 :VGRRPGGGLKDTKP 1qqfA 1058 :AFKQPISAYAAFNN Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.44727 Ang K14.N and P15.CD self-bump: 1.3207 Ang P15.N and P15.CD neighbor-bump: 2.06347 Ang K14.C and P15.CD self-bump: 2.18752 Ang P15.N and P15.CG other bump:1.91198 Ang G3.CA and K14.NZ other bump:1.32225 Ang G3.C and K14.NZ other bump:2.15756 Ang G3.O and K14.NZ other bump:1.53227 Ang R4.N and K14.NZ other bump:2.53448 Ang R4.CA and K14.NZ other bump:2.62594 Ang R4.C and K14.NZ other bump:2.06278 Ang V2.O and K14.CE other bump:2.49172 Ang G3.N and K14.CE other bump:1.86512 Ang G3.CA and K14.CE other bump:2.29848 Ang G3.C and K14.CE other bump:2.55609 Ang V2.C and K14.CE other bump:3.15665 Ang G3.CA and K14.CD neighbor-bump: 2.68866 Ang D12.OD1 and T13.CG2 other bump:1.59798 Ang R5.NH2 and K11.CG other bump:2.31606 Ang R5.NH2 and K11.CB T0180 19 :RLYPDEIEALKSRV 1qqfA 1072 :RPPSTWLTAYVSRV Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.32693 Ang Y4.CE2 and E9.OE1 other bump:2.17159 Ang Y4.CZ and E9.OE1 other bump:3.19595 Ang Y4.CE2 and E9.CD other bump:2.79424 Ang Y4.CZ and E9.CD other bump:2.43953 Ang Y4.OH and E9.CD other bump:1.75821 Ang Y4.OH and E9.CG other bump:2.90598 Ang Y4.CE2 and E9.CB other bump:2.77503 Ang Y4.CE1 and E9.CB other bump:1.89312 Ang Y4.CZ and E9.CB other bump:0.541931 Ang Y4.OH and E9.CB other bump:3.08755 Ang Y4.CZ and E9.CA other bump:1.95126 Ang Y4.OH and E9.CA self-bump: 1.39076 Ang D6.CA and D6.CB neighbor-bump: 3.1045 Ang Y4.CE2 and P5.C neighbor-bump: 2.52259 Ang Y4.CE2 and P5.O neighbor-bump: 2.5484 Ang Y4.CZ and P5.O T0180 33 :PANTSMSAYIRRIILNH 1qqfA 1095 :IDSQVLCGAVKWLILEK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.9724 Ang Y10.CE2 and I14.CD1 other bump:2.30576 Ang Y10.CD1 and R13.NH2 other bump:2.27846 Ang Y10.CE1 and R13.NH2 T0180 69 :RRPGGGLKDTKPV 1qqfA 1112 :QKPDGVFQEDGPV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0180 85 :LYPDEIEALKSRVPANTSMSAYIRRIILNHLE 1qqfA 1125 :IHQEMIGGFRNTKEADVSLTAFVLIALQEARD Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.42997 Ang I27.O and H31.CD2 other bump:2.93161 Ang Y23.CZ and I27.CD1 other bump:2.63828 Ang Y23.CE2 and I27.CD1 neighbor-bump: 3.10805 Ang V14.CG1 and P15.CA neighbor-bump: 1.95289 Ang V14.CG1 and P15.N self-bump: 2.34743 Ang V14.CG1 and V14.C self-bump: 1.29695 Ang V14.CA and V14.CB other bump:2.92447 Ang P4.C and K11.CE neighbor-bump: 3.19152 Ang E8.CG and A9.CA neighbor-bump: 2.22477 Ang E8.CG and A9.N self-bump: 2.18768 Ang E8.CB and E8.C self-bump: 2.47257 Ang E8.CG and E8.C self-bump: 1.2975 Ang E8.CA and E8.CB other bump:2.52086 Ang Y3.O and E6.CG Number of specific fragments= 5 total=1092 Number of alignments=151 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1qqfA read from T0180-1qqfA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1qqfA in template set T0180 9 :GLKDT 1qqfA 1038 :GLEKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0180 22 :PDEIEALK 1qqfA 1043 :QEALELIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0180 30 :SRVPANTSMSAYIRRIILNHLEDDGGG 1qqfA 1070 :NNRPPSTWLTAYVSRVFSLAANLIAID Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.53414 Ang I18.O and L22.CG T0180 66 :MVGRRPGGGLKDTKPVV 1qqfA 1109 :LEKQKPDGVFQEDGPVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0180 86 :YPDEIEALKSRVPANTSMSAYIRRIILNHL 1qqfA 1126 :HQEMIGGFRNTKEADVSLTAFVLIALQEAR Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.42997 Ang I26.O and H30.CD2 other bump:2.93161 Ang Y22.CZ and I26.CD1 other bump:2.63828 Ang Y22.CE2 and I26.CD1 neighbor-bump: 3.10805 Ang V13.CG1 and P14.CA neighbor-bump: 1.95289 Ang V13.CG1 and P14.N self-bump: 2.34743 Ang V13.CG1 and V13.C self-bump: 1.29695 Ang V13.CA and V13.CB other bump:2.92447 Ang P3.C and K10.CE neighbor-bump: 3.19152 Ang E7.CG and A8.CA neighbor-bump: 2.22477 Ang E7.CG and A8.N self-bump: 2.18768 Ang E7.CB and E7.C self-bump: 2.47257 Ang E7.CG and E7.C self-bump: 1.2975 Ang E7.CA and E7.CB other bump:2.52086 Ang Y2.O and E5.CG Number of specific fragments= 5 total=1097 Number of alignments=152 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1qqfA read from T0180-1qqfA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1qqfA in template set T0180 69 :RRPGGGLKDTKPV 1qqfA 1112 :QKPDGVFQEDGPV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0180 85 :LYPDEIEALKSRVPANTSMSAYIRRII 1qqfA 1125 :IHQEMIGGFRNTKEADVSLTAFVLIAL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.93161 Ang Y23.CZ and I27.CD1 other bump:2.63828 Ang Y23.CE2 and I27.CD1 neighbor-bump: 3.10805 Ang V14.CG1 and P15.CA neighbor-bump: 1.95289 Ang V14.CG1 and P15.N self-bump: 2.34743 Ang V14.CG1 and V14.C self-bump: 1.29695 Ang V14.CA and V14.CB other bump:2.92447 Ang P4.C and K11.CE neighbor-bump: 3.19152 Ang E8.CG and A9.CA neighbor-bump: 2.22477 Ang E8.CG and A9.N self-bump: 2.18768 Ang E8.CB and E8.C self-bump: 2.47257 Ang E8.CG and E8.C self-bump: 1.2975 Ang E8.CA and E8.CB other bump:2.52086 Ang Y3.O and E6.CG Number of specific fragments= 2 total=1099 Number of alignments=153 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1qqfA read from T0180-1qqfA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1qqfA in template set T0180 34 :ANTSMSAYIRRIILN 1qqfA 1096 :DSQVLCGAVKWLILE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.9724 Ang Y9.CE2 and I13.CD1 other bump:2.30576 Ang Y9.CD1 and R12.NH2 other bump:2.27846 Ang Y9.CE1 and R12.NH2 T0180 68 :GRRPGGGLKDTKPVV 1qqfA 1111 :KQKPDGVFQEDGPVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0180 86 :YPDEIEALKSRVPANTSMSAYIRRII 1qqfA 1126 :HQEMIGGFRNTKEADVSLTAFVLIAL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.93161 Ang Y22.CZ and I26.CD1 other bump:2.63828 Ang Y22.CE2 and I26.CD1 neighbor-bump: 3.10805 Ang V13.CG1 and P14.CA neighbor-bump: 1.95289 Ang V13.CG1 and P14.N self-bump: 2.34743 Ang V13.CG1 and V13.C self-bump: 1.29695 Ang V13.CA and V13.CB other bump:2.92447 Ang P3.C and K10.CE neighbor-bump: 3.19152 Ang E7.CG and A8.CA neighbor-bump: 2.22477 Ang E7.CG and A8.N self-bump: 2.18768 Ang E7.CB and E7.C self-bump: 2.47257 Ang E7.CG and E7.C self-bump: 1.2975 Ang E7.CA and E7.CB other bump:2.52086 Ang Y2.O and E5.CG Number of specific fragments= 3 total=1102 Number of alignments=154 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1qqfA read from T0180-1qqfA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1qqfA in template set T0180 2 :VGRRPGGGLKDTKP 1qqfA 1058 :AFKQPISAYAAFNN Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.44727 Ang K14.N and P15.CD self-bump: 1.3207 Ang P15.N and P15.CD neighbor-bump: 2.06347 Ang K14.C and P15.CD self-bump: 2.18752 Ang P15.N and P15.CG other bump:1.91198 Ang G3.CA and K14.NZ other bump:1.32225 Ang G3.C and K14.NZ other bump:2.15756 Ang G3.O and K14.NZ other bump:1.53227 Ang R4.N and K14.NZ other bump:2.53448 Ang R4.CA and K14.NZ other bump:2.62594 Ang R4.C and K14.NZ other bump:2.06278 Ang V2.O and K14.CE other bump:2.49172 Ang G3.N and K14.CE other bump:1.86512 Ang G3.CA and K14.CE other bump:2.29848 Ang G3.C and K14.CE other bump:2.55609 Ang V2.C and K14.CE other bump:3.15665 Ang G3.CA and K14.CD neighbor-bump: 2.68866 Ang D12.OD1 and T13.CG2 other bump:1.59798 Ang R5.NH2 and K11.CG other bump:2.31606 Ang R5.NH2 and K11.CB T0180 19 :RLYPDEIEALKSRV 1qqfA 1072 :RPPSTWLTAYVSRV Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.32693 Ang Y4.CE2 and E9.OE1 other bump:2.17159 Ang Y4.CZ and E9.OE1 other bump:3.19595 Ang Y4.CE2 and E9.CD other bump:2.79424 Ang Y4.CZ and E9.CD other bump:2.43953 Ang Y4.OH and E9.CD other bump:1.75821 Ang Y4.OH and E9.CG other bump:2.90598 Ang Y4.CE2 and E9.CB other bump:2.77503 Ang Y4.CE1 and E9.CB other bump:1.89312 Ang Y4.CZ and E9.CB other bump:0.541931 Ang Y4.OH and E9.CB other bump:3.08755 Ang Y4.CZ and E9.CA other bump:1.95126 Ang Y4.OH and E9.CA self-bump: 1.39076 Ang D6.CA and D6.CB neighbor-bump: 3.1045 Ang Y4.CE2 and P5.C neighbor-bump: 2.52259 Ang Y4.CE2 and P5.O neighbor-bump: 2.5484 Ang Y4.CZ and P5.O T0180 33 :PANTSMSAYIRRIILNHLEDDGGGGGGGG 1qqfA 1095 :IDSQVLCGAVKWLILEKQKPDGVFQEDGP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.9724 Ang Y10.CE2 and I14.CD1 other bump:2.30576 Ang Y10.CD1 and R13.NH2 other bump:2.27846 Ang Y10.CE1 and R13.NH2 T0180 66 :MVGRRPGGGLKDTK 1qqfA 1124 :VIHQEMIGGFRNTK Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.92447 Ang R5.C and K12.CE other bump:2.85389 Ang R5.C and P7.CD neighbor-bump: 2.19602 Ang R6.N and P7.CD neighbor-bump: 2.40828 Ang R6.CA and P7.CD neighbor-bump: 2.00072 Ang R6.C and P7.CD self-bump: 1.30137 Ang P7.N and P7.CD other bump:2.85915 Ang G4.C and P7.CD other bump:2.19247 Ang G4.O and P7.CD self-bump: 2.16025 Ang P7.N and P7.CG other bump:3.2216 Ang G4.C and P7.CG other bump:2.43264 Ang G4.O and P7.CG other bump:1.00686 Ang M2.O and R5.NH1 other bump:2.85849 Ang G1.C and R5.NH1 other bump:2.67093 Ang M2.N and R5.NH1 other bump:1.96826 Ang M2.C and R5.NH1 other bump:2.20876 Ang M2.O and R5.CZ other bump:3.28856 Ang M2.C and R5.CZ T0180 98 :PANTSMSAYIRRIILNHLE 1qqfA 1138 :EADVSLTAFVLIALQEARD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.42997 Ang I14.O and H18.CD2 other bump:2.63828 Ang Y10.CE2 and I14.CD1 other bump:2.93161 Ang Y10.CZ and I14.CD1 Number of specific fragments= 5 total=1107 Number of alignments=155 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1qqfA read from T0180-1qqfA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1qqfA in template set T0180 9 :GLKDTK 1qqfA 1038 :GLEKRQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0180 23 :DEIEALK 1qqfA 1044 :EALELIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0180 30 :SRVPANTSMSAYIRRI 1qqfA 1070 :NNRPPSTWLTAYVSRV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0180 46 :ILNHLEDDGG 1qqfA 1108 :ILEKQKPDGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0180 60 :GGGGGGMVGRRPGGGLKDTKP 1qqfA 1118 :FQEDGPVIHQEMIGGFRNTKE Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.92447 Ang R11.C and K18.CE other bump:2.85915 Ang G10.C and P13.CD other bump:2.85389 Ang R11.C and P13.CD neighbor-bump: 2.19602 Ang R12.N and P13.CD neighbor-bump: 2.40828 Ang R12.CA and P13.CD other bump:2.19247 Ang G10.O and P13.CD neighbor-bump: 2.00072 Ang R12.C and P13.CD self-bump: 1.30137 Ang P13.N and P13.CD other bump:3.2216 Ang G10.C and P13.CG other bump:2.43264 Ang G10.O and P13.CG self-bump: 2.16025 Ang P13.N and P13.CG other bump:1.00686 Ang M8.O and R11.NH1 other bump:1.96826 Ang M8.C and R11.NH1 other bump:2.85849 Ang G7.C and R11.NH1 other bump:2.67093 Ang M8.N and R11.NH1 other bump:2.20876 Ang M8.O and R11.CZ other bump:3.28856 Ang M8.C and R11.CZ T0180 99 :ANTSMSAYIRRIILNHL 1qqfA 1139 :ADVSLTAFVLIALQEAR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.42997 Ang I13.O and H17.CD2 other bump:2.93161 Ang Y9.CZ and I13.CD1 other bump:2.63828 Ang Y9.CE2 and I13.CD1 Number of specific fragments= 6 total=1113 Number of alignments=156 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1qqfA read from T0180-1qqfA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1qqfA in template set T0180 69 :RRPGGGLKDTKPV 1qqfA 1112 :QKPDGVFQEDGPV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0180 85 :LYPDEIEALKSRVPANTSMSAYIRRII 1qqfA 1125 :IHQEMIGGFRNTKEADVSLTAFVLIAL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.93161 Ang Y23.CZ and I27.CD1 other bump:2.63828 Ang Y23.CE2 and I27.CD1 neighbor-bump: 3.10805 Ang V14.CG1 and P15.CA neighbor-bump: 1.95289 Ang V14.CG1 and P15.N self-bump: 2.34743 Ang V14.CG1 and V14.C self-bump: 1.29695 Ang V14.CA and V14.CB other bump:2.92447 Ang P4.C and K11.CE neighbor-bump: 3.19152 Ang E8.CG and A9.CA neighbor-bump: 2.22477 Ang E8.CG and A9.N self-bump: 2.18768 Ang E8.CB and E8.C self-bump: 2.47257 Ang E8.CG and E8.C self-bump: 1.2975 Ang E8.CA and E8.CB other bump:2.52086 Ang Y3.O and E6.CG Number of specific fragments= 2 total=1115 Number of alignments=157 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1qqfA read from T0180-1qqfA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1qqfA in template set T0180 34 :ANTSMSAYIRRIILNHLEDDGGGG 1qqfA 1096 :DSQVLCGAVKWLILEKQKPDGVFQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.9724 Ang Y9.CE2 and I13.CD1 other bump:2.30576 Ang Y9.CD1 and R12.NH2 other bump:2.27846 Ang Y9.CE1 and R12.NH2 T0180 62 :GGGGMVGRRPGGGLKDTK 1qqfA 1120 :EDGPVIHQEMIGGFRNTK Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.92447 Ang R9.C and K16.CE other bump:2.85915 Ang G8.C and P11.CD other bump:2.85389 Ang R9.C and P11.CD neighbor-bump: 2.19602 Ang R10.N and P11.CD neighbor-bump: 2.40828 Ang R10.CA and P11.CD other bump:2.19247 Ang G8.O and P11.CD neighbor-bump: 2.00072 Ang R10.C and P11.CD self-bump: 1.30137 Ang P11.N and P11.CD other bump:3.2216 Ang G8.C and P11.CG other bump:2.43264 Ang G8.O and P11.CG self-bump: 2.16025 Ang P11.N and P11.CG other bump:1.00686 Ang M6.O and R9.NH1 other bump:1.96826 Ang M6.C and R9.NH1 other bump:2.85849 Ang G5.C and R9.NH1 other bump:2.67093 Ang M6.N and R9.NH1 other bump:2.20876 Ang M6.O and R9.CZ other bump:3.28856 Ang M6.C and R9.CZ T0180 98 :PANTSMSAYIRRII 1qqfA 1138 :EADVSLTAFVLIAL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.63828 Ang Y10.CE2 and I14.CD1 other bump:2.93161 Ang Y10.CZ and I14.CD1 Number of specific fragments= 3 total=1118 Number of alignments=158 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1qqfA read from T0180-1qqfA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1qqfA in template set T0180 2 :VGRRPGGGLKDTKP 1qqfA 1058 :AFKQPISAYAAFNN Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.44727 Ang K14.N and P15.CD self-bump: 1.3207 Ang P15.N and P15.CD neighbor-bump: 2.06347 Ang K14.C and P15.CD self-bump: 2.18752 Ang P15.N and P15.CG other bump:1.91198 Ang G3.CA and K14.NZ other bump:1.32225 Ang G3.C and K14.NZ other bump:2.15756 Ang G3.O and K14.NZ other bump:1.53227 Ang R4.N and K14.NZ other bump:2.53448 Ang R4.CA and K14.NZ other bump:2.62594 Ang R4.C and K14.NZ other bump:2.06278 Ang V2.O and K14.CE other bump:2.49172 Ang G3.N and K14.CE other bump:1.86512 Ang G3.CA and K14.CE other bump:2.29848 Ang G3.C and K14.CE other bump:2.55609 Ang V2.C and K14.CE other bump:3.15665 Ang G3.CA and K14.CD neighbor-bump: 2.68866 Ang D12.OD1 and T13.CG2 other bump:1.59798 Ang R5.NH2 and K11.CG other bump:2.31606 Ang R5.NH2 and K11.CB T0180 19 :RLYPDEIEALKSRV 1qqfA 1072 :RPPSTWLTAYVSRV Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.32693 Ang Y4.CE2 and E9.OE1 other bump:2.17159 Ang Y4.CZ and E9.OE1 other bump:3.19595 Ang Y4.CE2 and E9.CD other bump:2.79424 Ang Y4.CZ and E9.CD other bump:2.43953 Ang Y4.OH and E9.CD other bump:1.75821 Ang Y4.OH and E9.CG other bump:2.90598 Ang Y4.CE2 and E9.CB other bump:2.77503 Ang Y4.CE1 and E9.CB other bump:1.89312 Ang Y4.CZ and E9.CB other bump:0.541931 Ang Y4.OH and E9.CB other bump:3.08755 Ang Y4.CZ and E9.CA other bump:1.95126 Ang Y4.OH and E9.CA self-bump: 1.39076 Ang D6.CA and D6.CB neighbor-bump: 3.1045 Ang Y4.CE2 and P5.C neighbor-bump: 2.52259 Ang Y4.CE2 and P5.O neighbor-bump: 2.5484 Ang Y4.CZ and P5.O T0180 33 :PANTSMSAYIRRIILNH 1qqfA 1095 :IDSQVLCGAVKWLILEK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.9724 Ang Y10.CE2 and I14.CD1 other bump:2.30576 Ang Y10.CD1 and R13.NH2 other bump:2.27846 Ang Y10.CE1 and R13.NH2 T0180 69 :RRPGGGLKDTKPV 1qqfA 1112 :QKPDGVFQEDGPV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0180 85 :LYPDEIEALKSRVPANTSMSAYIRRIILNHLE 1qqfA 1125 :IHQEMIGGFRNTKEADVSLTAFVLIALQEARD Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.42997 Ang I27.O and H31.CD2 other bump:2.93161 Ang Y23.CZ and I27.CD1 other bump:2.63828 Ang Y23.CE2 and I27.CD1 neighbor-bump: 3.10805 Ang V14.CG1 and P15.CA neighbor-bump: 1.95289 Ang V14.CG1 and P15.N self-bump: 2.34743 Ang V14.CG1 and V14.C self-bump: 1.29695 Ang V14.CA and V14.CB other bump:2.92447 Ang P4.C and K11.CE neighbor-bump: 3.19152 Ang E8.CG and A9.CA neighbor-bump: 2.22477 Ang E8.CG and A9.N self-bump: 2.18768 Ang E8.CB and E8.C self-bump: 2.47257 Ang E8.CG and E8.C self-bump: 1.2975 Ang E8.CA and E8.CB other bump:2.52086 Ang Y3.O and E6.CG Number of specific fragments= 5 total=1123 Number of alignments=159 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1qqfA read from T0180-1qqfA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1qqfA in template set T0180 9 :GLKD 1qqfA 1038 :GLEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0180 20 :LYPDEIEALKSRVPANTSMSAYIRRIILNHLEDDG 1qqfA 1060 :KQPISAYAAFNNRPPSTWLTAYVSRVFSLAANLIA Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.53414 Ang I28.O and L32.CG other bump:2.18662 Ang E8.CD and I24.CD1 other bump:1.49473 Ang E8.OE1 and I24.CD1 other bump:2.18689 Ang E8.OE2 and I24.CG2 other bump:2.79255 Ang E8.CD and I24.CG2 other bump:2.7784 Ang E8.OE1 and I24.CG2 other bump:3.11276 Ang E8.CD and I24.CG1 other bump:2.61588 Ang E8.OE1 and I24.CG1 other bump:2.89958 Ang E8.OE1 and I24.CB other bump:2.81806 Ang I7.CG1 and S21.OG other bump:2.44537 Ang E8.O and M20.CE other bump:2.14634 Ang E8.C and M20.CE other bump:2.21551 Ang A9.N and M20.CE other bump:2.50856 Ang A9.CA and M20.CE other bump:2.70699 Ang E8.CB and M20.CE other bump:2.76945 Ang I7.CG1 and A16.CB other bump:2.10754 Ang I7.CD1 and A16.CB other bump:2.75213 Ang Y3.CZ and V14.O other bump:2.04393 Ang Y3.OH and V14.O other bump:3.07187 Ang K11.N and V14.CG1 other bump:2.60992 Ang A9.CB and V14.CG1 other bump:2.60494 Ang Y3.OH and V14.N other bump:3.2334 Ang Y3.CZ and S12.C other bump:2.50402 Ang Y3.CE2 and S12.O other bump:2.71807 Ang Y3.CZ and S12.O other bump:2.18368 Ang Y3.OH and K11.O other bump:2.17814 Ang D5.OD2 and I7.CG2 other bump:2.29376 Ang D5.OD1 and I7.CG2 other bump:2.55688 Ang D5.CG and I7.CG2 other bump:3.03876 Ang L2.CD1 and E6.CA T0180 69 :RRPGGGLKDTKPVV 1qqfA 1112 :QKPDGVFQEDGPVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 86 :YPDEIEALKSRVPANTSMSAYIRRIILNHL 1qqfA 1126 :HQEMIGGFRNTKEADVSLTAFVLIALQEAR Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.42997 Ang I26.O and H30.CD2 other bump:2.93161 Ang Y22.CZ and I26.CD1 other bump:2.63828 Ang Y22.CE2 and I26.CD1 neighbor-bump: 3.10805 Ang V13.CG1 and P14.CA neighbor-bump: 1.95289 Ang V13.CG1 and P14.N self-bump: 2.34743 Ang V13.CG1 and V13.C self-bump: 1.29695 Ang V13.CA and V13.CB other bump:2.92447 Ang P3.C and K10.CE neighbor-bump: 3.19152 Ang E7.CG and A8.CA neighbor-bump: 2.22477 Ang E7.CG and A8.N self-bump: 2.18768 Ang E7.CB and E7.C self-bump: 2.47257 Ang E7.CG and E7.C self-bump: 1.2975 Ang E7.CA and E7.CB other bump:2.52086 Ang Y2.O and E5.CG Number of specific fragments= 4 total=1127 Number of alignments=160 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1qqfA read from T0180-1qqfA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1qqfA in template set T0180 69 :RRPGGGLKDTKPV 1qqfA 1112 :QKPDGVFQEDGPV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0180 85 :LYPDEIEALKSRVPANTSMSAYIRRII 1qqfA 1125 :IHQEMIGGFRNTKEADVSLTAFVLIAL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.93161 Ang Y23.CZ and I27.CD1 other bump:2.63828 Ang Y23.CE2 and I27.CD1 neighbor-bump: 3.10805 Ang V14.CG1 and P15.CA neighbor-bump: 1.95289 Ang V14.CG1 and P15.N self-bump: 2.34743 Ang V14.CG1 and V14.C self-bump: 1.29695 Ang V14.CA and V14.CB other bump:2.92447 Ang P4.C and K11.CE neighbor-bump: 3.19152 Ang E8.CG and A9.CA neighbor-bump: 2.22477 Ang E8.CG and A9.N self-bump: 2.18768 Ang E8.CB and E8.C self-bump: 2.47257 Ang E8.CG and E8.C self-bump: 1.2975 Ang E8.CA and E8.CB other bump:2.52086 Ang Y3.O and E6.CG Number of specific fragments= 2 total=1129 Number of alignments=161 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1qqfA read from T0180-1qqfA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1qqfA in template set T0180 35 :NTSMSAYIRRIILNH 1qqfA 1097 :SQVLCGAVKWLILEK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.9724 Ang Y8.CE2 and I12.CD1 other bump:2.30576 Ang Y8.CD1 and R11.NH2 other bump:2.27846 Ang Y8.CE1 and R11.NH2 T0180 69 :RRPGGGLKDTKPVV 1qqfA 1112 :QKPDGVFQEDGPVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0180 86 :YPDEIEALKSRVPANTSMSAYIRRII 1qqfA 1126 :HQEMIGGFRNTKEADVSLTAFVLIAL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.93161 Ang Y22.CZ and I26.CD1 other bump:2.63828 Ang Y22.CE2 and I26.CD1 neighbor-bump: 3.10805 Ang V13.CG1 and P14.CA neighbor-bump: 1.95289 Ang V13.CG1 and P14.N self-bump: 2.34743 Ang V13.CG1 and V13.C self-bump: 1.29695 Ang V13.CA and V13.CB other bump:2.92447 Ang P3.C and K10.CE neighbor-bump: 3.19152 Ang E7.CG and A8.CA neighbor-bump: 2.22477 Ang E7.CG and A8.N self-bump: 2.18768 Ang E7.CB and E7.C self-bump: 2.47257 Ang E7.CG and E7.C self-bump: 1.2975 Ang E7.CA and E7.CB other bump:2.52086 Ang Y2.O and E5.CG Number of specific fragments= 3 total=1132 Number of alignments=162 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-local-adpstyle1.pw.a2m.gz # 1qqfA read from T0180-1qqfA-local-adpstyle1.pw.a2m.gz # found chain 1qqfA in template set T0180 33 :PANTSMSAYIRRII 1qqfA 1073 :PPSTWLTAYVSRVF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 1 total=1133 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-local-adpstyle5.pw.a2m.gz # 1qqfA read from T0180-1qqfA-local-adpstyle5.pw.a2m.gz # found chain 1qqfA in template set T0180 38 :MSAYIRRIILNHLEDDGGG 1qqfA 1100 :LCGAVKWLILEKQKPDGVF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.9724 Ang Y5.CE2 and I9.CD1 other bump:2.30576 Ang Y5.CD1 and R8.NH2 other bump:2.27846 Ang Y5.CE1 and R8.NH2 T0180 61 :GGGGGMVGRRPGGGLKDTKPVVVRL 1qqfA 1119 :QEDGPVIHQEMIGGFRNTKEADVSL Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.0966 Ang G15.O and R25.NH2 other bump:1.79256 Ang L16.C and R25.NH2 other bump:1.53991 Ang G15.C and R25.NH2 other bump:0.715359 Ang L16.N and R25.NH2 other bump:0.949025 Ang L16.CA and R25.NH2 other bump:2.23848 Ang K17.N and R25.NH2 other bump:2.26863 Ang L16.CB and R25.NH2 other bump:1.59885 Ang L16.C and R25.NH1 other bump:1.96339 Ang L16.CA and R25.NH1 other bump:2.71543 Ang K17.N and R25.NH1 other bump:1.49699 Ang L16.O and R25.NH1 other bump:2.06897 Ang G15.O and R25.CZ other bump:1.90296 Ang L16.C and R25.CZ other bump:2.22207 Ang G15.C and R25.CZ other bump:1.87764 Ang L16.N and R25.CZ other bump:1.20197 Ang L16.CA and R25.CZ other bump:2.86329 Ang K17.N and R25.CZ other bump:2.48235 Ang L16.O and R25.CZ other bump:2.61286 Ang L16.CB and R25.CZ other bump:2.67233 Ang G15.C and R25.NE other bump:2.50566 Ang L16.N and R25.NE other bump:2.18295 Ang L16.CA and R25.NE other bump:2.56514 Ang T19.CA and V22.CG2 other bump:2.56233 Ang T19.C and V22.CG2 other bump:2.08108 Ang T19.O and V22.CG2 other bump:2.92447 Ang R10.C and K17.CE other bump:2.85915 Ang G9.C and P12.CD other bump:2.85389 Ang R10.C and P12.CD neighbor-bump: 2.19602 Ang R11.N and P12.CD neighbor-bump: 2.40828 Ang R11.CA and P12.CD other bump:2.19247 Ang G9.O and P12.CD neighbor-bump: 2.00072 Ang R11.C and P12.CD self-bump: 1.30137 Ang P12.N and P12.CD other bump:3.2216 Ang G9.C and P12.CG other bump:2.43264 Ang G9.O and P12.CG self-bump: 2.16025 Ang P12.N and P12.CG other bump:1.00686 Ang M7.O and R10.NH1 other bump:1.96826 Ang M7.C and R10.NH1 other bump:2.85849 Ang G6.C and R10.NH1 other bump:2.67093 Ang M7.N and R10.NH1 other bump:2.20876 Ang M7.O and R10.CZ other bump:3.28856 Ang M7.C and R10.CZ T0180 104 :SAY 1qqfA 1144 :TAF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 3 total=1136 Number of alignments=163 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-simpleSW-adpstyle1.pw.a2m.gz # 1qqfA read from T0180-1qqfA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1qqfA in template set T0180 33 :PANTSMSAYIRRII 1qqfA 1073 :PPSTWLTAYVSRVF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 1 total=1137 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-simpleSW-adpstyle5.pw.a2m.gz # 1qqfA read from T0180-1qqfA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1qqfA in template set Number of specific fragments= 0 total=1137 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-vit-adpstyle1.pw.a2m.gz # 1qqfA read from T0180-1qqfA-vit-adpstyle1.pw.a2m.gz # found chain 1qqfA in template set T0180 33 :PANTSMSAYIRRII 1qqfA 1073 :PPSTWLTAYVSRVF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 1 total=1138 # Reading fragments from alignment file # T0180 read from T0180-1qqfA-vit-adpstyle5.pw.a2m.gz # 1qqfA read from T0180-1qqfA-vit-adpstyle5.pw.a2m.gz # found chain 1qqfA in template set T0180 38 :MSAYIRRIILNHLEDDGGG 1qqfA 1100 :LCGAVKWLILEKQKPDGVF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.9724 Ang Y5.CE2 and I9.CD1 other bump:2.30576 Ang Y5.CD1 and R8.NH2 other bump:2.27846 Ang Y5.CE1 and R8.NH2 T0180 61 :GGGGGMVGRRPGGGLKDTKPVVVRL 1qqfA 1119 :QEDGPVIHQEMIGGFRNTKEADVSL Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.0966 Ang G15.O and R25.NH2 other bump:1.79256 Ang L16.C and R25.NH2 other bump:1.53991 Ang G15.C and R25.NH2 other bump:0.715359 Ang L16.N and R25.NH2 other bump:0.949025 Ang L16.CA and R25.NH2 other bump:2.23848 Ang K17.N and R25.NH2 other bump:2.26863 Ang L16.CB and R25.NH2 other bump:1.59885 Ang L16.C and R25.NH1 other bump:1.96339 Ang L16.CA and R25.NH1 other bump:2.71543 Ang K17.N and R25.NH1 other bump:1.49699 Ang L16.O and R25.NH1 other bump:2.06897 Ang G15.O and R25.CZ other bump:1.90296 Ang L16.C and R25.CZ other bump:2.22207 Ang G15.C and R25.CZ other bump:1.87764 Ang L16.N and R25.CZ other bump:1.20197 Ang L16.CA and R25.CZ other bump:2.86329 Ang K17.N and R25.CZ other bump:2.48235 Ang L16.O and R25.CZ other bump:2.61286 Ang L16.CB and R25.CZ other bump:2.67233 Ang G15.C and R25.NE other bump:2.50566 Ang L16.N and R25.NE other bump:2.18295 Ang L16.CA and R25.NE other bump:2.56514 Ang T19.CA and V22.CG2 other bump:2.56233 Ang T19.C and V22.CG2 other bump:2.08108 Ang T19.O and V22.CG2 other bump:2.92447 Ang R10.C and K17.CE other bump:2.85915 Ang G9.C and P12.CD other bump:2.85389 Ang R10.C and P12.CD neighbor-bump: 2.19602 Ang R11.N and P12.CD neighbor-bump: 2.40828 Ang R11.CA and P12.CD other bump:2.19247 Ang G9.O and P12.CD neighbor-bump: 2.00072 Ang R11.C and P12.CD self-bump: 1.30137 Ang P12.N and P12.CD other bump:3.2216 Ang G9.C and P12.CG other bump:2.43264 Ang G9.O and P12.CG self-bump: 2.16025 Ang P12.N and P12.CG other bump:1.00686 Ang M7.O and R10.NH1 other bump:1.96826 Ang M7.C and R10.NH1 other bump:2.85849 Ang G6.C and R10.NH1 other bump:2.67093 Ang M7.N and R10.NH1 other bump:2.20876 Ang M7.O and R10.CZ other bump:3.28856 Ang M7.C and R10.CZ T0180 104 :SAY 1qqfA 1144 :TAF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 3 total=1141 Number of alignments=164 # command:# Prefix for input files set to # command:# Prefix for output files set to # command:# Printing 80 template chains to Template.atoms # Printed template library # command:# Prefix for output files set to decoys/ # command:CPU_time= 90150 msec, elapsed time= 141423 msec) # command:# Setting InsertAlignment to 0.3 # Setting OneRotamer to 0.01 # Setting ClashingRotamer to 0.5 # Setting InsertFragment to 10 # Setting CrossOver to 0 # Setting CrossAndInsert to 1 # Setting TwoFragment to 1 # Setting InsertSpecificFragment to 5 # Setting ReduceBreak to 1 # 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 5 # InsertFragment 10 # TwoFragment 1 # CrossOver 0 # CrossAndInsert 1 # ReduceClash 1 # OneRotamer 0.01 # ClashingRotamer 0.5 # ReduceBreak 1 # CloseGap 0.1 # JiggleSubtree 0.03 # OptSubtree 0.03 # ReduceConstraint 0.2 # InsertSSBond 0 # ImproveSSBond 0 # command:# naming current conformation T0180.try1 # command:# OptConform to optimize cost = # ( 0.3 * gen6.5(6.5) + 0.4 * wet6.5(6.5, /log(length)) + 1 * dry5(5) + 4 * dry6.5(6.5) + 1 * dry8(8) + 0.1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 2 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.5 * constraints + 1 * contact_order ) # Will do 80 iterations of optimization # iteration 0 # filling pool to have 40 conformations # best score in initial pool out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1frqA-simpleSW-adpstyle5.pw.a2m.gz:1frqA at pool[15] 85.1181 cost/residue, 180 clashes 0.521495 breaks # optimizing backbone with 40 conformations in pool # doing 60 generations, with 180 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0180.try1 68.0825 cost/residue, 491 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 4 ## InsertFragment 22 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 0 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)S37 jump= 0.0833614 -0.93148 0.353476 -0.0212312 -7.55858 -3.87927 21.4586 # generation 2: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1d2zA-simpleSW-adpstyle5.pw.a2m.gz:1d2zA 58.67 cost/residue, 704 clashes 0.0616244 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 6 ## InsertFragment 41 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1d2zA-simpleSW-adpstyle5.pw.a2m.gz:1d2zA 57.7936 cost/residue, 693 clashes 0.0616244 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 15 ## InsertFragment 58 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 52.133 cost/residue, 532 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 23 ## InsertFragment 76 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 51.2947 cost/residue, 401 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 31 ## InsertFragment 96 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 10 ## OneRotamer 1 ## ClashingRotamer 12 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 48.3549 cost/residue, 391 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 36 ## InsertFragment 114 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 11 ## OneRotamer 1 ## ClashingRotamer 15 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 4 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 47.799 cost/residue, 381 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 40 ## InsertFragment 134 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 14 ## OneRotamer 1 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 4 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)L220 jump= 0.790928 -0.35661 0.249652 -0.430042 -0.114113 -24.9355 -26.0983 # generation 8: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 47.7637 cost/residue, 332 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 45 ## InsertFragment 153 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 11 ## ReduceClash 16 ## OneRotamer 1 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 5 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 47.3148 cost/residue, 298 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 50 ## InsertFragment 168 ## TwoFragment 7 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 17 ## OneRotamer 1 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 5 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 47.2995 cost/residue, 326 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 53 ## InsertFragment 183 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 14 ## ReduceClash 19 ## OneRotamer 2 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 5 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 47.0246 cost/residue, 266 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 60 ## InsertFragment 199 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 15 ## ReduceClash 19 ## OneRotamer 2 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 5 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 46.3612 cost/residue, 272 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 65 ## InsertFragment 215 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 17 ## ReduceClash 19 ## OneRotamer 3 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 5 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 46.2774 cost/residue, 309 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 67 ## InsertFragment 231 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 19 ## OneRotamer 5 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 7 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 45.6353 cost/residue, 254 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 71 ## InsertFragment 247 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 19 ## OneRotamer 6 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 7 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 45.4481 cost/residue, 245 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 72 ## InsertFragment 265 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 19 ## OneRotamer 8 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 7 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 45.426 cost/residue, 245 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 74 ## InsertFragment 283 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 19 ## OneRotamer 9 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 8 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 44.2937 cost/residue, 263 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 74 ## InsertFragment 300 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 24 ## ReduceClash 19 ## OneRotamer 12 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 6 ## OptSubtree 9 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 44.2922 cost/residue, 274 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 78 ## InsertFragment 315 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 24 ## ReduceClash 19 ## OneRotamer 14 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 8 ## OptSubtree 10 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 19: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 44.0118 cost/residue, 225 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 81 ## InsertFragment 328 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 29 ## ReduceClash 19 ## OneRotamer 14 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 10 ## OptSubtree 11 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 20: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 43.77 cost/residue, 230 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 85 ## InsertFragment 345 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 19 ## OneRotamer 15 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 11 ## OptSubtree 11 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)A34 jump= -0.478341 -0.690582 0.261585 -0.475247 14.0212 2.47236 8.27269 # generation 21: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 43.7631 cost/residue, 230 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 88 ## InsertFragment 357 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 31 ## ReduceClash 19 ## OneRotamer 15 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 13 ## OptSubtree 17 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 22: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 43.7064 cost/residue, 225 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 89 ## InsertFragment 369 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 31 ## ReduceClash 19 ## OneRotamer 19 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 16 ## OptSubtree 21 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # generation 23: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 43.6575 cost/residue, 230 clashes 0.0066083 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 89 ## InsertFragment 379 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 32 ## ReduceClash 20 ## OneRotamer 22 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 1 ## JiggleSubtree 19 ## OptSubtree 25 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 24: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 43.4641 cost/residue, 228 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 92 ## InsertFragment 393 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 32 ## ReduceClash 20 ## OneRotamer 24 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 1 ## JiggleSubtree 21 ## OptSubtree 28 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= 0.414598 -0.636007 -0.581249 0.292838 4.82756 31.5777 18.2801 # Removing break before 38 # generation 25: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 43.432 cost/residue, 228 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 95 ## InsertFragment 404 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 32 ## ReduceClash 22 ## OneRotamer 27 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 2 ## JiggleSubtree 22 ## OptSubtree 31 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 90 # Removing break before 38 # generation 26: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 43.0619 cost/residue, 232 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 96 ## InsertFragment 419 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 32 ## ReduceClash 22 ## OneRotamer 28 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 4 ## JiggleSubtree 22 ## OptSubtree 36 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 27: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 43.0619 cost/residue, 232 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 96 ## InsertFragment 436 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 22 ## OneRotamer 32 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 4 ## JiggleSubtree 22 ## OptSubtree 38 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= -0.800887 -0.16908 0.451193 -0.355551 -8.5584 20.717 8.24896 # generation 28: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 43.0619 cost/residue, 232 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 97 ## InsertFragment 448 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 23 ## OneRotamer 36 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 4 ## JiggleSubtree 24 ## OptSubtree 42 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # generation 29: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 43.0551 cost/residue, 232 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 97 ## InsertFragment 461 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 23 ## OneRotamer 40 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 5 ## JiggleSubtree 27 ## OptSubtree 44 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= -0.580204 -0.42662 0.618339 -0.314668 -18.0206 -11.6972 47.8116 # generation 30: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 43.0551 cost/residue, 232 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 98 ## InsertFragment 470 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 24 ## OneRotamer 43 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 5 ## JiggleSubtree 30 ## OptSubtree 50 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 31: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 43.0064 cost/residue, 229 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 99 ## InsertFragment 477 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 24 ## OneRotamer 47 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 5 ## JiggleSubtree 34 ## OptSubtree 55 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 32: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 42.9028 cost/residue, 226 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 99 ## InsertFragment 489 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 24 ## OneRotamer 55 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 5 ## JiggleSubtree 36 ## OptSubtree 57 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 33: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 42.8438 cost/residue, 227 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 100 ## InsertFragment 506 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 25 ## OneRotamer 58 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 5 ## JiggleSubtree 36 ## OptSubtree 59 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 34: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 42.8069 cost/residue, 214 clashes 0.0128777 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 101 ## InsertFragment 514 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 25 ## OneRotamer 60 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 5 ## JiggleSubtree 45 ## OptSubtree 63 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 35: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 42.373 cost/residue, 195 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 102 ## InsertFragment 520 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 26 ## OneRotamer 62 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 5 ## JiggleSubtree 53 ## OptSubtree 69 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)R219 jump= -0.95385 0.140036 -0.255666 0.0720736 -12.7093 -6.89562 12.6895 # Removing break before 79 # jumping subtree containing (T0180)Y41 jump= 0.167809 0.0493581 -0.644337 -0.744469 5.89621 0.759666 34.9777 # jumping subtree containing (T0180)V218 jump= 0.99112 0.0186009 0.131429 -0.00786861 -17.7752 9.99787 5.59859 # generation 36: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 42.3668 cost/residue, 193 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 103 ## InsertFragment 523 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 27 ## OneRotamer 65 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 5 ## JiggleSubtree 58 ## OptSubtree 80 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 37: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 42.3003 cost/residue, 197 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 104 ## InsertFragment 527 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 27 ## OneRotamer 71 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 5 ## JiggleSubtree 62 ## OptSubtree 90 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing (T0180)Y41 jump= -0.280844 -0.959429 0.0150471 -0.0198999 -2.31375 -28.7929 10.4383 # Removing break before 40 # jumping subtree containing (T0180)M1 jump= 0.763658 -0.15466 0.424525 0.461179 2.95623 -20.3776 16.2021 # generation 38: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 42.3003 cost/residue, 197 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 104 ## InsertFragment 529 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 27 ## OneRotamer 74 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 6 ## JiggleSubtree 67 ## OptSubtree 103 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)Y41 jump= -0.831124 0.524824 -0.0970041 -0.156153 2.81365 -39.8109 -21.1437 # generation 39: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 42.1662 cost/residue, 195 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 104 ## InsertFragment 534 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 27 ## OneRotamer 75 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 6 ## JiggleSubtree 72 ## OptSubtree 116 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 40: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 42.1662 cost/residue, 195 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 104 ## InsertFragment 534 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 27 ## OneRotamer 79 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 6 ## JiggleSubtree 80 ## OptSubtree 128 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 81 # Removing break before 105 # jumping subtree containing (T0180)M1 jump= -0.944216 -0.202431 -0.210524 -0.152176 -7.07506 19.7301 -23.9326 # Removing break before 40 # generation 41: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 41.8884 cost/residue, 179 clashes 0.0180482 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 104 ## InsertFragment 538 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 27 ## OneRotamer 81 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 9 ## JiggleSubtree 86 ## OptSubtree 137 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)Y241 jump= -0.993291 0.0765417 0.0244698 -0.0831655 -6.68839 16.0883 22.2877 # jumping subtree containing (T0180)R44 jump= -0.87331 0.0802289 -0.268736 0.398339 -20.8735 21.4547 -0.320672 # generation 42: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 41.8727 cost/residue, 179 clashes 0.0180482 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 104 ## InsertFragment 543 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 27 ## OneRotamer 86 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 9 ## JiggleSubtree 93 ## OptSubtree 146 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 81 # Removing break before 81 # Removing break before 81 # jumping subtree containing (T0180)Y41 jump= -0.998008 -0.0159356 0.0105106 0.0601294 -7.63661 -5.88582 9.24934 # jumping subtree containing (T0180)L47 jump= 0.494331 0.280132 0.573309 0.590321 19.4102 -10.715 20.746 # Removing break before 81 # Removing break before 81 # generation 43: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 41.6609 cost/residue, 180 clashes 0.0180482 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 105 ## InsertFragment 545 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 27 ## OneRotamer 93 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 9 ## JiggleSubtree 100 ## OptSubtree 159 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)V217 jump= 0.474349 0.10245 0.595004 -0.640677 28.2083 18.8775 39.0857 # jumping subtree containing (T0180)Y41 jump= 0.635961 -0.31023 0.368188 0.603116 23.571 -23.1252 -10.7225 # Removing break before 81 # jumping subtree containing (T0180)M1 jump= -0.986813 0.105265 -0.0873719 0.0865211 -7.64979 -16.0472 12.2312 # Removing break before 81 # Removing break before 81 # generation 44: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 41.1233 cost/residue, 330 clashes 0.135282 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 105 ## InsertFragment 551 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 27 ## OneRotamer 96 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 9 ## JiggleSubtree 104 ## OptSubtree 170 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= 0.490477 0.0961968 -0.25698 0.827128 3.37413 -18.0195 7.88185 # jumping subtree containing (T0180)V217 jump= 0.430896 0.702713 0.34744 0.447 23.6292 -31.547 -14.8512 # generation 45: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 41.1233 cost/residue, 330 clashes 0.135282 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 105 ## InsertFragment 554 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 39 ## ReduceClash 27 ## OneRotamer 98 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 10 ## JiggleSubtree 107 ## OptSubtree 187 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)R219 jump= 0.18768 -0.590104 0.552184 -0.558253 -11.7285 -5.29226 -34.0728 # jumping subtree containing (T0180)Y41 jump= -0.435035 0.640687 0.412631 0.479585 -18.4394 20.9771 12.2642 # Removing break before 81 # generation 46: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 39.9966 cost/residue, 235 clashes 0.26175 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 105 ## InsertFragment 559 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 39 ## ReduceClash 27 ## OneRotamer 105 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 115 ## OptSubtree 196 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)Y41 jump= -0.209997 -0.541745 0.421366 -0.696322 2.58333 15.1572 -19.3773 # jumping subtree containing (T0180)V216 jump= -0.529027 -0.110976 -0.131915 0.830911 -2.6556 -3.02796 20.1638 # generation 47: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 39.9819 cost/residue, 258 clashes 0.237739 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 105 ## InsertFragment 563 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 27 ## OneRotamer 111 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 121 ## OptSubtree 204 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)K214 jump= 0.812768 0.310935 -0.247056 0.426252 9.36761 -28.848 3.35828 # jumping subtree containing (T0180)Y41 jump= 0.857148 -0.237666 0.450216 -0.0782204 -18.025 1.00264 -14.7336 # jumping subtree containing (T0180)V217 jump= 0.0999622 -0.614736 -0.775741 -0.101654 20.2001 0.79096 -13.2219 # jumping subtree containing (T0180)Y41 jump= 0.999838 -0.0124942 0.0129931 0.000204477 1.47167 14.4436 -23.585 # generation 48: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 39.6426 cost/residue, 234 clashes 0.251895 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 105 ## InsertFragment 572 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 27 ## OneRotamer 113 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 129 ## OptSubtree 216 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)V217 jump= 0.580238 0.7496 0.291415 -0.128454 -4.99554 -2.48 34.7299 # jumping subtree containing (T0180)V217 jump= 0.924107 0.0880906 -0.322329 -0.185393 -13.0381 -9.86622 -21.0329 # generation 49: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 39.6062 cost/residue, 248 clashes 0.251895 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 106 ## InsertFragment 574 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 27 ## OneRotamer 115 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 136 ## OptSubtree 230 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)V217 jump= -0.523093 -0.502492 0.0366437 -0.68741 39.3844 3.88961 -13.6998 # generation 50: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 39.4158 cost/residue, 222 clashes 0.251895 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 107 ## InsertFragment 579 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 28 ## OneRotamer 125 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 140 ## OptSubtree 239 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 51: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 39.3275 cost/residue, 217 clashes 0.251895 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 107 ## InsertFragment 583 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 28 ## OneRotamer 132 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 145 ## OptSubtree 252 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)N48 jump= -0.0276712 -0.0406863 -0.652574 -0.756126 45.3501 -0.131115 -24.8287 # jumping subtree containing (T0180)Y41 jump= -0.683884 -0.709763 -0.0109245 -0.168578 17.3281 13.0008 13.5999 # jumping subtree containing (T0180)V217 jump= 0.698941 0.667257 0.252239 -0.0512322 16.8851 -2.92571 19.136 # generation 52: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 38.975 cost/residue, 225 clashes 0.252314 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 107 ## InsertFragment 589 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 28 ## OneRotamer 135 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 152 ## OptSubtree 269 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)V217 jump= 0.954306 -0.227383 -0.167627 0.0974607 -4.53173 -3.57894 -13.018 # jumping subtree containing (T0180)M1 jump= 0.350912 -0.852422 -0.337501 -0.190606 34.7423 -35.9927 -39.4079 # jumping subtree containing (T0180)V216 jump= 0.296392 0.937368 -0.0267356 0.181048 -0.759375 36.8589 -15.2071 # generation 53: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 38.7427 cost/residue, 214 clashes 0.252314 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 107 ## InsertFragment 589 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 41 ## ReduceClash 29 ## OneRotamer 138 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 160 ## OptSubtree 286 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)E51 jump= -0.870204 -0.0911829 0.114795 -0.470375 34.4482 -32.4312 -2.98566 # jumping subtree containing (T0180)V217 jump= 0.981395 -0.136566 -0.0474396 0.126349 -3.47989 -26.2556 13.6017 # jumping subtree containing (T0180)Y41 jump= 0.820094 0.491683 0.147778 0.252697 10.1106 -3.48337 -25.8449 # jumping subtree containing (T0180)V216 jump= 0.698804 0.261258 0.656937 0.108859 35.9458 -16.1269 31.9132 # generation 54: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 38.7426 cost/residue, 214 clashes 0.252314 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 107 ## InsertFragment 592 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 41 ## ReduceClash 29 ## OneRotamer 145 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 169 ## OptSubtree 298 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)N48 jump= -0.462263 0.503285 0.469002 -0.559513 24.4087 -9.44518 4.77749 # jumping subtree containing (T0180)I246 jump= 0.991231 -0.105423 0.0786577 -0.0126101 5.71286 3.42462 12.1441 # jumping subtree containing (T0180)N48 jump= 0.866249 -0.27677 0.404116 0.0984918 -1.6068 -22.921 22.1543 # jumping subtree containing (T0180)V217 jump= -0.296951 0.216258 -0.544861 0.753776 29.3385 3.58029 -0.415101 # jumping subtree containing (T0180)N48 jump= 0.77909 -0.386576 -0.247706 -0.426872 -0.826731 4.2923 -21.0324 # generation 55: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 38.7426 cost/residue, 214 clashes 0.252314 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 107 ## InsertFragment 594 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 41 ## ReduceClash 29 ## OneRotamer 151 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 175 ## OptSubtree 314 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)V217 jump= 0.73015 -0.114364 -0.205936 -0.641398 1.64782 40.0353 6.81377 # jumping subtree containing (T0180)V216 jump= 0.0146294 0.999616 -0.022465 -0.00705161 -24.1734 16.1459 47.4017 # jumping subtree containing (T0180)N48 jump= 0.38051 0.0322934 0.820419 0.425537 29.0943 -37.3427 60.8993 # jumping subtree containing (T0180)N48 jump= -0.98978 0.116657 -0.0726745 -0.0380069 9.73008 -26.824 27.687 # generation 56: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 38.3988 cost/residue, 216 clashes 0.23531 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 107 ## InsertFragment 595 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 41 ## ReduceClash 29 ## OneRotamer 155 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 183 ## OptSubtree 326 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)V217 jump= -0.414532 -0.317936 0.815242 -0.24992 75.389 -1.08052 1.02093 # jumping subtree containing (T0180)V216 jump= -0.301689 0.544057 -0.154368 -0.767565 21.543 -53.6086 38.0819 # generation 57: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 37.9372 cost/residue, 211 clashes 0.235644 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 108 ## InsertFragment 597 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 41 ## ReduceClash 29 ## OneRotamer 159 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 192 ## OptSubtree 339 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)V216 jump= 0.0691001 -0.907669 0.41254 -0.0342526 12.0492 8.69449 10.8467 # jumping subtree containing (T0180)A234 jump= 0.916694 -0.145381 -0.355753 -0.109437 32.2933 1.58019 12.8112 # jumping subtree containing (T0180)V217 jump= 0.0892436 0.327804 -0.448529 -0.826681 64.5399 3.37108 0.412437 # jumping subtree containing (T0180)V216 jump= 0.799395 0.202801 0.550723 -0.12862 22.7196 -13.8205 23.9248 # jumping subtree containing (T0180)N48 jump= 0.980575 -0.0505432 0.0623922 0.178958 10.4316 -31.4527 2.06822 # jumping subtree containing (T0180)V216 jump= 0.729672 0.24495 -0.56112 -0.304505 21.2519 39.8734 -21.9397 # generation 58: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 37.8896 cost/residue, 211 clashes 0.235644 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 108 ## InsertFragment 598 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 41 ## ReduceClash 29 ## OneRotamer 162 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 198 ## OptSubtree 360 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 59: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 37.7722 cost/residue, 201 clashes 0.235644 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 108 ## InsertFragment 599 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 41 ## ReduceClash 29 ## OneRotamer 169 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 205 ## OptSubtree 376 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)V217 jump= -0.994846 -0.000303363 -0.0190548 -0.0995942 -6.85844 -6.83653 27.3816 # jumping subtree containing (T0180)V217 jump= -0.312584 -0.406131 0.852276 0.104763 56.5879 32.1628 11.0609 # generation 60: best score out of 40: T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD 37.772 cost/residue, 202 clashes 0.235644 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 108 ## InsertFragment 600 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 42 ## ReduceClash 29 ## OneRotamer 173 ## ClashingRotamer 16 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 209 ## OptSubtree 395 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_451214587.pdb -s /projects/compbio/tmp/to_scwrl_451214587.seq -o /projects/compbio/tmp/from_scwrl_451214587.pdb -a /projects/compbio/tmp/from_scwrl_451214587_a.pdb -b /projects/compbio/tmp/from_scwrl_451214587_b.pdb > /projects/compbio/tmp/scwrl_451214587.log # T0180.try1+T0180-1bx1A-simpleS...+T0180-1ezvD-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1ezvD-scwrl 37.1556 cost/residue 147 clashes 0.235644 breaks # iteration 1 # filling pool to have 40 conformations # best score in initial pool out of 40: T0180.try1+T0180-1bx0A-simpleSW-adpstyle1.pw.a2m.gz:1bx0A at pool[29] 72.8864 cost/residue, 458 clashes 0.215144 breaks # optimizing backbone with 40 conformations in pool # doing 60 generations, with 180 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 59.1089 cost/residue, 521 clashes 0.291545 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 24 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 59.1089 cost/residue, 521 clashes 0.291545 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 46 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 1 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 55.6412 cost/residue, 367 clashes 0.291545 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 70 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 2 ## CloseGap 2 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 53.16 cost/residue, 266 clashes 0.252451 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 23 ## InsertFragment 90 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 3 ## CloseGap 4 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= -0.650624 0.156626 -0.205638 -0.714052 44.3223 33.0275 7.72933 # generation 5: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 53.0408 cost/residue, 440 clashes 0.291545 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 114 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 3 ## CloseGap 6 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 50.5809 cost/residue, 293 clashes 0.252451 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 34 ## InsertFragment 132 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 8 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 50.1337 cost/residue, 289 clashes 0.216018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 41 ## InsertFragment 151 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 9 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 49.5285 cost/residue, 127 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 44 ## InsertFragment 173 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 10 ## JiggleSubtree 2 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 48.082 cost/residue, 285 clashes 0.247821 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 193 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 10 ## JiggleSubtree 2 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 47.6749 cost/residue, 297 clashes 0.214522 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 212 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 12 ## JiggleSubtree 3 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 47.6749 cost/residue, 297 clashes 0.214522 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 232 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 13 ## JiggleSubtree 3 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 47.6644 cost/residue, 297 clashes 0.21404 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 253 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 14 ## JiggleSubtree 5 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 46.9451 cost/residue, 306 clashes 0.214522 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 52 ## InsertFragment 272 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 14 ## JiggleSubtree 7 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 46.6618 cost/residue, 298 clashes 0.214522 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 55 ## InsertFragment 286 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 15 ## JiggleSubtree 10 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 46.4334 cost/residue, 296 clashes 0.214522 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 57 ## InsertFragment 301 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 14 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 15 ## JiggleSubtree 12 ## OptSubtree 4 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 46.2701 cost/residue, 298 clashes 0.214522 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 318 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 16 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 16 ## JiggleSubtree 13 ## OptSubtree 4 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 45.8596 cost/residue, 331 clashes 0.214522 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 60 ## InsertFragment 339 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 16 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 16 ## JiggleSubtree 14 ## OptSubtree 4 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)S37 jump= -0.942862 0.322173 -0.0818686 -0.0226427 -6.35841 14.7314 4.37376 # generation 18: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 45.5624 cost/residue, 337 clashes 0.214522 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 62 ## InsertFragment 353 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 17 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 5 ## CloseGap 18 ## JiggleSubtree 16 ## OptSubtree 5 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 19: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 45.4662 cost/residue, 322 clashes 0.196658 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 62 ## InsertFragment 373 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 17 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 5 ## CloseGap 18 ## JiggleSubtree 18 ## OptSubtree 6 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 20: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 45.4662 cost/residue, 322 clashes 0.196658 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 63 ## InsertFragment 389 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 5 ## CloseGap 20 ## JiggleSubtree 19 ## OptSubtree 6 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 21: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 43.7962 cost/residue, 337 clashes 0.100821 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 64 ## InsertFragment 402 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 23 ## OneRotamer 1 ## ClashingRotamer 7 ## ReduceBreak 5 ## CloseGap 21 ## JiggleSubtree 21 ## OptSubtree 7 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 22: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 43.7932 cost/residue, 334 clashes 0.100821 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 65 ## InsertFragment 414 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 23 ## ReduceClash 23 ## OneRotamer 1 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 22 ## JiggleSubtree 28 ## OptSubtree 8 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 23: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 43.681 cost/residue, 333 clashes 0.100821 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 65 ## InsertFragment 434 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 23 ## ReduceClash 23 ## OneRotamer 1 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 22 ## JiggleSubtree 31 ## OptSubtree 9 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 24: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 43.681 cost/residue, 333 clashes 0.100821 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 66 ## InsertFragment 454 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 23 ## ReduceClash 23 ## OneRotamer 1 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 23 ## JiggleSubtree 33 ## OptSubtree 10 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 25: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 43.6621 cost/residue, 333 clashes 0.100821 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 67 ## InsertFragment 464 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 25 ## ReduceClash 23 ## OneRotamer 1 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 26 ## JiggleSubtree 39 ## OptSubtree 12 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 26: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 43.5655 cost/residue, 329 clashes 0.100821 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 68 ## InsertFragment 477 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 25 ## ReduceClash 23 ## OneRotamer 1 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 31 ## JiggleSubtree 42 ## OptSubtree 13 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 27: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 43.5338 cost/residue, 324 clashes 0.105126 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 68 ## InsertFragment 488 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 26 ## ReduceClash 23 ## OneRotamer 1 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 37 ## JiggleSubtree 46 ## OptSubtree 15 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 28: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 43.5195 cost/residue, 340 clashes 0.100821 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 69 ## InsertFragment 501 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 27 ## ReduceClash 23 ## OneRotamer 1 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 39 ## JiggleSubtree 53 ## OptSubtree 15 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)A40 jump= 0.286306 0.26368 -0.262092 -0.883068 -11.2346 -7.99549 13.7605 # generation 29: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 43.3483 cost/residue, 333 clashes 0.105126 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 70 ## InsertFragment 511 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 28 ## ReduceClash 24 ## OneRotamer 1 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 46 ## JiggleSubtree 55 ## OptSubtree 17 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 30: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 43.3483 cost/residue, 333 clashes 0.105126 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 70 ## InsertFragment 520 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 28 ## ReduceClash 24 ## OneRotamer 1 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 49 ## JiggleSubtree 65 ## OptSubtree 19 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)A40 jump= -0.866081 0.429269 0.212241 -0.143478 -9.1593 -6.91793 -4.58043 # jumping subtree containing (T0180)R5 jump= 0.986835 0.041295 0.151518 -0.0386488 -6.10254 25.9788 -1.68529 # generation 31: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 43.263 cost/residue, 335 clashes 0.100821 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 71 ## InsertFragment 525 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 28 ## ReduceClash 24 ## OneRotamer 2 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 54 ## JiggleSubtree 73 ## OptSubtree 23 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 32: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 43.2518 cost/residue, 335 clashes 0.10034 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 71 ## InsertFragment 530 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 29 ## ReduceClash 24 ## OneRotamer 2 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 64 ## JiggleSubtree 80 ## OptSubtree 24 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 33: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 43.2518 cost/residue, 335 clashes 0.10034 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 71 ## InsertFragment 534 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 29 ## ReduceClash 24 ## OneRotamer 3 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 67 ## JiggleSubtree 92 ## OptSubtree 28 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 34: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 43.1496 cost/residue, 332 clashes 0.10034 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 71 ## InsertFragment 541 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 29 ## ReduceClash 24 ## OneRotamer 3 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 71 ## JiggleSubtree 103 ## OptSubtree 30 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 35: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 42.9408 cost/residue, 342 clashes 0.10034 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 71 ## InsertFragment 551 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 29 ## ReduceClash 24 ## OneRotamer 3 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 79 ## JiggleSubtree 109 ## OptSubtree 30 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 36: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 42.9174 cost/residue, 342 clashes 0.10034 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 72 ## InsertFragment 552 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 29 ## ReduceClash 25 ## OneRotamer 4 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 87 ## JiggleSubtree 117 ## OptSubtree 34 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)V18 jump= 0.606849 0.522683 0.526101 0.285928 -15.8253 37.6936 5.37139 # generation 37: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 42.9174 cost/residue, 342 clashes 0.10034 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 72 ## InsertFragment 555 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 25 ## OneRotamer 4 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 94 ## JiggleSubtree 127 ## OptSubtree 37 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 38: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 42.4977 cost/residue, 309 clashes 0.10034 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 72 ## InsertFragment 557 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 31 ## ReduceClash 26 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 103 ## JiggleSubtree 135 ## OptSubtree 39 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)G102 jump= 0.991015 0.078245 -0.0467568 -0.0978831 8.45607 -13.5334 -23.2851 # generation 39: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 42.4977 cost/residue, 309 clashes 0.10034 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 72 ## InsertFragment 561 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 32 ## ReduceClash 26 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 107 ## JiggleSubtree 148 ## OptSubtree 41 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 40: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 42.1496 cost/residue, 366 clashes 0.10026 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 72 ## InsertFragment 565 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 27 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 115 ## JiggleSubtree 156 ## OptSubtree 43 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)G102 jump= -0.177929 -0.450353 -0.66917 -0.56368 39.5547 -5.55478 0.586585 # jumping subtree containing (T0180)G102 jump= -0.74068 0.569065 0.357017 0.00984787 15.9479 -1.15963 -11.8748 # generation 41: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 42.1496 cost/residue, 366 clashes 0.10026 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 72 ## InsertFragment 567 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 27 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 129 ## JiggleSubtree 164 ## OptSubtree 45 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)G102 jump= 0.230569 -0.910543 -0.320382 0.122903 -34.53 36.1704 4.00207 # generation 42: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 42.1496 cost/residue, 366 clashes 0.100259 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 72 ## InsertFragment 574 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 27 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 132 ## JiggleSubtree 175 ## OptSubtree 48 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 43: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 42.1495 cost/residue, 366 clashes 0.100259 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 72 ## InsertFragment 576 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 28 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 139 ## JiggleSubtree 186 ## OptSubtree 54 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 44: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 42.0534 cost/residue, 361 clashes 0.10026 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 72 ## InsertFragment 577 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 28 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 150 ## JiggleSubtree 197 ## OptSubtree 58 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 45: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 42.0534 cost/residue, 361 clashes 0.100259 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 72 ## InsertFragment 577 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 28 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 165 ## JiggleSubtree 205 ## OptSubtree 60 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 46: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 42.04 cost/residue, 360 clashes 0.100475 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 72 ## InsertFragment 580 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 28 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 177 ## JiggleSubtree 213 ## OptSubtree 62 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 47: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 42.0126 cost/residue, 356 clashes 0.0997892 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 72 ## InsertFragment 581 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 28 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 189 ## JiggleSubtree 223 ## OptSubtree 63 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)A40 jump= 0.938417 0.203901 -0.010149 -0.278737 -22.3587 36.2742 -16.9221 # jumping subtree containing (T0180)A40 jump= -0.499447 -0.111097 0.785055 0.349139 4.95785 -15.0728 3.09964 # generation 48: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 42.0019 cost/residue, 356 clashes 0.0997892 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 72 ## InsertFragment 583 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 28 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 198 ## JiggleSubtree 238 ## OptSubtree 66 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= -0.640522 -0.174054 0.584329 -0.466901 10.7273 7.80927 21.9453 # generation 49: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 42.0019 cost/residue, 356 clashes 0.0997881 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 72 ## InsertFragment 583 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 28 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 203 ## JiggleSubtree 253 ## OptSubtree 70 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 50: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 41.9871 cost/residue, 354 clashes 0.0997881 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 73 ## InsertFragment 584 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 28 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 210 ## JiggleSubtree 273 ## OptSubtree 71 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)E51 jump= -0.16248 0.832105 -0.12687 -0.514885 58.6346 48.37 72.27 # generation 51: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 41.8265 cost/residue, 354 clashes 0.0997892 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 73 ## InsertFragment 586 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 28 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 220 ## JiggleSubtree 287 ## OptSubtree 76 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 52: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 41.8133 cost/residue, 353 clashes 0.100016 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 74 ## InsertFragment 589 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 28 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 229 ## JiggleSubtree 300 ## OptSubtree 79 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)L20 jump= 0.998703 0.0308543 -0.0367089 -0.0171339 9.42144 -14.2701 6.94649 # generation 53: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 41.8133 cost/residue, 353 clashes 0.100016 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 74 ## InsertFragment 593 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 28 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 239 ## JiggleSubtree 315 ## OptSubtree 81 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 54: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 41.8132 cost/residue, 353 clashes 0.100016 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 74 ## InsertFragment 593 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 28 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 245 ## JiggleSubtree 337 ## OptSubtree 81 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 55: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 41.6614 cost/residue, 366 clashes 0.100016 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 74 ## InsertFragment 595 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 28 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 251 ## JiggleSubtree 352 ## OptSubtree 82 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 56: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 41.6614 cost/residue, 366 clashes 0.100016 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 74 ## InsertFragment 597 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 28 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 263 ## JiggleSubtree 368 ## OptSubtree 86 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 57: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 41.3605 cost/residue, 356 clashes 0.100016 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 74 ## InsertFragment 601 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 28 ## OneRotamer 5 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 264 ## JiggleSubtree 388 ## OptSubtree 89 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 58: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 41.3605 cost/residue, 356 clashes 0.100016 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 74 ## InsertFragment 604 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 28 ## OneRotamer 6 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 269 ## JiggleSubtree 404 ## OptSubtree 91 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)G102 jump= -0.995337 -0.0825476 0.0441948 -0.0231733 4.87965 -0.458896 -4.02188 # generation 59: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 41.3604 cost/residue, 356 clashes 0.100016 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 74 ## InsertFragment 604 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 28 ## OneRotamer 6 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 276 ## JiggleSubtree 423 ## OptSubtree 94 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)N35 jump= -0.966056 -0.134938 0.191316 0.109205 -11.0998 -1.23202 -30.8648 # jumping subtree containing (T0180)G102 jump= 0.976893 -0.107062 0.062371 0.174151 -7.80616 -25.7461 -0.0304227 # generation 60: best score out of 40: T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn 41.3598 cost/residue, 356 clashes 0.100016 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 74 ## InsertFragment 604 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 28 ## OneRotamer 6 ## ClashingRotamer 8 ## ReduceBreak 5 ## CloseGap 278 ## JiggleSubtree 439 ## OptSubtree 103 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_903899084.pdb -s /projects/compbio/tmp/to_scwrl_903899084.seq -o /projects/compbio/tmp/from_scwrl_903899084.pdb -a /projects/compbio/tmp/from_scwrl_903899084_a.pdb -b /projects/compbio/tmp/from_scwrl_903899084_b.pdb > /projects/compbio/tmp/scwrl_903899084.log # T0180.try1+T0180-1frn-local-adpstyle1.pw.a2m.gz:1frn-scwrl 39.3111 cost/residue 199 clashes 0.100016 breaks # iteration 2 # filling pool to have 40 conformations # best score in initial pool out of 40: T0180.try1+T0180-1frn-simpleSW-adpstyle1.pw.a2m.gz:1frn at pool[21] 84.3421 cost/residue, 640 clashes 0.11835 breaks # optimizing backbone with 40 conformations in pool # doing 60 generations, with 180 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0180.try1+T0180-1frn-simpleSW-adpstyle1.pw.a2m.gz:1frn 71.8576 cost/residue, 355 clashes 0.11835 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 20 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0180.try1+T0180-1frn-simpleSW-adpstyle5.pw.a2m.gz:1frn 60.5855 cost/residue, 537 clashes 0.128052 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 42 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 46.633 cost/residue, 558 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 26 ## InsertFragment 61 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 44.5492 cost/residue, 388 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 31 ## InsertFragment 80 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 43.1535 cost/residue, 380 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 36 ## InsertFragment 99 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 11 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 42.006 cost/residue, 267 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 44 ## InsertFragment 116 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 41.867 cost/residue, 266 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 136 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 14 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 2 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 41.0493 cost/residue, 277 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 54 ## InsertFragment 157 ## TwoFragment 7 ## CrossOver 0 ## CrossAndInsert 17 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 3 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 40.8826 cost/residue, 236 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 58 ## InsertFragment 178 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 3 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 39.6612 cost/residue, 299 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 197 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 3 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 39.0742 cost/residue, 183 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 70 ## InsertFragment 216 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 3 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 38.904 cost/residue, 154 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 75 ## InsertFragment 235 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 3 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 38.5759 cost/residue, 324 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 78 ## InsertFragment 250 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 4 ## OptSubtree 2 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 38.5207 cost/residue, 156 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 84 ## InsertFragment 266 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 5 ## OptSubtree 2 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 38.4779 cost/residue, 311 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 88 ## InsertFragment 284 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 5 ## OptSubtree 2 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 38.0304 cost/residue, 203 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 91 ## InsertFragment 303 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 23 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 6 ## OptSubtree 2 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 30 # generation 17: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 37.6732 cost/residue, 163 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 320 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 25 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 6 ## OptSubtree 2 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 37.6732 cost/residue, 163 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 97 ## InsertFragment 336 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 28 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 7 ## OptSubtree 2 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 19: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 37.5907 cost/residue, 223 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 98 ## InsertFragment 355 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 29 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 8 ## OptSubtree 3 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 47 # jumping subtree containing (T0180)R31 jump= -0.466965 0.616452 0.324791 0.544464 4.20468 -68.0274 9.77222 # generation 20: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 37.5145 cost/residue, 163 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 99 ## InsertFragment 372 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 29 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 10 ## OptSubtree 5 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 21: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 36.8109 cost/residue, 169 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 101 ## InsertFragment 388 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 13 ## OptSubtree 6 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 71 # generation 22: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 36.8056 cost/residue, 169 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 104 ## InsertFragment 407 ## TwoFragment 16 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 13 ## OptSubtree 6 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 23: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 36.5547 cost/residue, 182 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 105 ## InsertFragment 422 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 15 ## OptSubtree 7 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)S30 jump= 0.998722 -0.0164082 -0.0363745 0.0310174 12.6073 -0.543264 -15.707 # generation 24: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 36.5547 cost/residue, 182 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 107 ## InsertFragment 439 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 18 ## OptSubtree 8 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 49 # Removing break before 29 # Removing break before 27 # generation 25: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 36.4419 cost/residue, 201 clashes 0.00478178 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 109 ## InsertFragment 454 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 19 ## OptSubtree 10 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 26: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 36.4419 cost/residue, 201 clashes 0.00478178 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 110 ## InsertFragment 475 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 20 ## OptSubtree 10 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)G111 jump= 0.645842 -0.454095 -0.494124 0.364043 35.2333 -5.84962 40.1792 # generation 27: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 36.2639 cost/residue, 189 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 112 ## InsertFragment 490 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 22 ## OptSubtree 11 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 28: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 36.2029 cost/residue, 230 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 113 ## InsertFragment 507 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 24 ## OptSubtree 12 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= 0.801884 0.570427 0.083329 -0.157008 6.87344 12.6184 5.02836 # generation 29: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 36.2029 cost/residue, 230 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 113 ## InsertFragment 523 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 27 ## OptSubtree 15 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 30: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 36.111 cost/residue, 218 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 114 ## InsertFragment 542 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 30 ## OptSubtree 16 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 29 # generation 31: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 35.5894 cost/residue, 203 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 116 ## InsertFragment 559 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 33 ## OptSubtree 17 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 32: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 35.5894 cost/residue, 203 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 117 ## InsertFragment 575 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 41 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 36 ## OptSubtree 19 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 33: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 35.5894 cost/residue, 203 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 117 ## InsertFragment 590 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 43 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 41 ## OptSubtree 21 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # Removing break before 79 # generation 34: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 35.3252 cost/residue, 196 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 117 ## InsertFragment 607 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 44 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 46 ## OptSubtree 21 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # generation 35: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 35.207 cost/residue, 194 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 120 ## InsertFragment 619 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 45 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 50 ## OptSubtree 24 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= 0.179693 -0.157012 -0.605868 -0.758935 28.7693 -21.2002 26.2365 # Removing break before 79 # Removing break before 93 # Removing break before 19 # generation 36: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 35.207 cost/residue, 194 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 123 ## InsertFragment 631 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 45 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 53 ## OptSubtree 26 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # jumping subtree containing (T0180)P215 jump= -0.00717463 0.88488 0.271176 0.378682 -2.12336 -28.2897 -1.60795 # generation 37: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 35.2008 cost/residue, 194 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 123 ## InsertFragment 646 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 46 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 56 ## OptSubtree 30 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 79 # generation 38: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 35.1124 cost/residue, 190 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 124 ## InsertFragment 659 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 47 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 62 ## OptSubtree 31 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # generation 39: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 35.1124 cost/residue, 190 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 124 ## InsertFragment 668 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 47 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 70 ## OptSubtree 36 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 79 # generation 40: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 35.1084 cost/residue, 212 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 124 ## InsertFragment 677 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 47 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 79 ## OptSubtree 41 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 41: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 35.0516 cost/residue, 190 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 124 ## InsertFragment 688 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 48 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 90 ## OptSubtree 42 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= -0.662967 0.687058 -0.0703778 0.288916 -23.7013 -61.3712 24.6866 # jumping subtree containing (T0180)P215 jump= 0.835925 0.408687 0.243375 -0.273813 -2.80958 -9.2153 24.1972 # generation 42: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 34.9224 cost/residue, 176 clashes 0.0514471 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 124 ## InsertFragment 699 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 48 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 98 ## OptSubtree 47 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 43: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 34.9223 cost/residue, 176 clashes 0.051447 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 124 ## InsertFragment 702 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 49 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 113 ## OptSubtree 51 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 83 # Removing break before 83 # Removing break before 79 # generation 44: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 34.9223 cost/residue, 176 clashes 0.051447 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 124 ## InsertFragment 713 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 49 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 121 ## OptSubtree 54 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)R219 jump= 0.970722 0.218271 -0.0928007 -0.0380026 -14.8566 19.2066 -1.5354 # jumping subtree containing (T0180)R219 jump= -0.337861 -0.417928 0.719731 0.439516 53.6523 49.4491 -27.3733 # generation 45: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 34.7974 cost/residue, 191 clashes 0.00478236 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 124 ## InsertFragment 721 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 49 ## ReduceClash 19 ## OneRotamer 1 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 131 ## OptSubtree 57 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)P33 jump= -0.542435 0.477321 -0.681362 0.116936 52.541 57.4876 36.8874 # Removing break before 82 # Removing break before 82 # Removing break before 81 # Removing break before 74 # generation 46: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 34.7974 cost/residue, 191 clashes 0.00478236 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 124 ## InsertFragment 725 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 50 ## ReduceClash 19 ## OneRotamer 1 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 22 ## JiggleSubtree 142 ## OptSubtree 62 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 83 # Removing break before 82 # Removing break before 82 # Removing break before 82 # Removing break before 82 # generation 47: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 34.5946 cost/residue, 196 clashes 0.0551515 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 124 ## InsertFragment 732 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 51 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 154 ## OptSubtree 64 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)V217 jump= -0.984956 -0.143515 0.0519471 -0.0810297 18.3851 -21.6437 2.22845 # generation 48: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 34.4602 cost/residue, 179 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 124 ## InsertFragment 737 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 52 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 166 ## OptSubtree 70 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 82 # Removing break before 82 # jumping subtree containing (T0180)M1 jump= -0.993513 0.00534463 -0.0894519 0.070017 -4.22154 -14.872 -2.30018 # jumping subtree containing (T0180)V218 jump= 0.621299 0.147239 -0.498775 -0.586116 41.7746 59.9777 -10.2384 # generation 49: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 34.429 cost/residue, 197 clashes 0.0530714 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 124 ## InsertFragment 743 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 52 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 177 ## OptSubtree 76 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 24 # Removing break before 24 # Removing break before 82 # generation 50: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 34.3388 cost/residue, 179 clashes 0.00854725 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 125 ## InsertFragment 752 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 52 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 30 ## JiggleSubtree 187 ## OptSubtree 80 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 24 # Removing break before 24 # jumping subtree containing (T0180)M1 jump= -0.956524 0.0550596 -0.135921 -0.252104 -28.9009 -28.2371 -3.20904 # generation 51: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 34.2806 cost/residue, 184 clashes 0.00478184 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 125 ## InsertFragment 758 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 52 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 32 ## JiggleSubtree 199 ## OptSubtree 84 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 81 # jumping subtree containing (T0180)R44 jump= -0.91446 0.0119241 0.0174022 -0.404127 -0.118278 -42.0439 -14.584 # jumping subtree containing (T0180)M1 jump= -0.6126 0.325349 -0.712784 -0.103959 26.214 -2.92137 43.617 # generation 52: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 34.2806 cost/residue, 184 clashes 0.00478184 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 125 ## InsertFragment 759 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 52 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 32 ## JiggleSubtree 217 ## OptSubtree 89 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 27 # Removing break before 81 # generation 53: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 34.0543 cost/residue, 184 clashes 0.00478184 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 125 ## InsertFragment 764 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 52 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 32 ## JiggleSubtree 230 ## OptSubtree 95 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 81 # jumping subtree containing (T0180)I25 jump= -0.662592 -0.65559 0.193517 0.306145 8.24166 5.72918 36.6367 # Removing break before 27 # Removing break before 81 # generation 54: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 34.0543 cost/residue, 184 clashes 0.00478185 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 125 ## InsertFragment 768 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 53 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 32 ## JiggleSubtree 244 ## OptSubtree 100 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 27 # jumping subtree containing (T0180)M1 jump= -0.999605 -0.00402782 -0.000643976 0.0278076 -24.9668 0.471662 -9.15456 # jumping subtree containing (T0180)L28 jump= -0.0953228 -0.772135 -0.594715 0.202571 52.9166 -32.3491 -15.4177 # jumping subtree containing (T0180)M1 jump= 0.990015 -0.0913499 -0.105064 -0.0220626 -16.8994 -8.09909 -28.1768 # generation 55: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 34.0541 cost/residue, 184 clashes 0.00478189 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 125 ## InsertFragment 770 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 53 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 257 ## OptSubtree 110 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)A27 jump= 0.632031 -0.0314945 0.736705 0.238351 -1.12136 -20.5094 49.3896 # jumping subtree containing (T0180)V217 jump= 0.97598 0.151676 -0.112224 -0.108921 28.8309 22.2684 -14.8189 # Removing break before 81 # jumping subtree containing (T0180)D23 jump= -0.915008 0.0610077 0.32555 -0.230337 2.09828 -1.07439 -31.6568 # Removing break before 81 # jumping subtree containing (T0180)V217 jump= -0.87284 0.228187 0.431269 0.00937047 54.5316 -26.847 -6.66392 # jumping subtree containing (T0180)L28 jump= -0.514542 -0.0209488 0.856984 -0.0196431 38.216 -5.35067 16.9586 # generation 56: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 34.0112 cost/residue, 184 clashes 0.00478182 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 125 ## InsertFragment 772 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 53 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 277 ## OptSubtree 114 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 27 # generation 57: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 34.011 cost/residue, 184 clashes 0.00478181 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 125 ## InsertFragment 773 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 53 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 291 ## OptSubtree 123 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)H249 jump= 0.758535 0.231869 -0.125175 0.595981 -29.0455 -10.7215 -6.86897 # Removing break before 27 # Removing break before 27 # generation 58: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 34.011 cost/residue, 184 clashes 0.00478181 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 125 ## InsertFragment 774 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 53 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 308 ## OptSubtree 129 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 27 # Removing break before 27 # Removing break before 27 # Removing break before 27 # Removing break before 27 # Removing break before 27 # generation 59: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 33.7913 cost/residue, 171 clashes 0.0168133 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 125 ## InsertFragment 776 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 53 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 34 ## JiggleSubtree 330 ## OptSubtree 134 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 27 # jumping subtree containing (T0180)M1 jump= -0.575024 0.502235 -0.587885 0.267394 43.5414 49.9033 0.658292 # Removing break before 27 # Removing break before 27 # jumping subtree containing (T0180)S39 jump= -0.966223 -0.115806 0.227002 -0.0383644 18.2463 2.60152 -5.90111 # generation 60: best score out of 40: T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA 33.7913 cost/residue, 171 clashes 0.0168133 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 125 ## InsertFragment 777 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 53 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 34 ## JiggleSubtree 340 ## OptSubtree 147 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1723444982.pdb -s /projects/compbio/tmp/to_scwrl_1723444982.seq -o /projects/compbio/tmp/from_scwrl_1723444982.pdb -a /projects/compbio/tmp/from_scwrl_1723444982_a.pdb -b /projects/compbio/tmp/from_scwrl_1723444982_b.pdb > /projects/compbio/tmp/scwrl_1723444982.log # T0180.try1+1qqfA-T0180-vit-adpstyle5.pw.a2m.gz:1qqfA-scwrl 33.1684 cost/residue 114 clashes 0.0168133 breaks # iteration 3 # filling pool to have 40 conformations # best score in initial pool out of 40: T0180.try1+T0180-1frqA-simpleSW-adpstyle5.pw.a2m.gz:1frqA at pool[21] 83.221 cost/residue, 662 clashes 0.162358 breaks # optimizing backbone with 40 conformations in pool # doing 60 generations, with 180 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0180.try1+T0180-1frqA-simpleS...+T0180-1d2zA-local-adpstyle1.pw.a2m.gz:1d2zA 81.9107 cost/residue, 456 clashes 0.725874 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 24 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1frn-vit-adpstyle1.pw.a2m.gz:1frn 62.2212 cost/residue, 788 clashes 0.138672 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 43 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 4 ## CloseGap 2 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 53.6599 cost/residue, 292 clashes 0.348352 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 67 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1frn-vit-adpstyle1.pw.a2m.gz:1frn 52.18 cost/residue, 489 clashes 0.132644 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 26 ## InsertFragment 89 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 5 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 46.5972 cost/residue, 391 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 106 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 6 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 44.3485 cost/residue, 232 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 127 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 6 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 43.919 cost/residue, 337 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 57 ## InsertFragment 145 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 6 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 41.6249 cost/residue, 259 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 165 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 6 ## JiggleSubtree 2 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 41.5351 cost/residue, 253 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 70 ## InsertFragment 181 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 11 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 6 ## JiggleSubtree 2 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 41.0293 cost/residue, 235 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 79 ## InsertFragment 193 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 6 ## JiggleSubtree 2 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 39.2143 cost/residue, 410 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 212 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 6 ## JiggleSubtree 2 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 38.8825 cost/residue, 374 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 90 ## InsertFragment 229 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 6 ## JiggleSubtree 4 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 38.386 cost/residue, 312 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 250 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 6 ## JiggleSubtree 4 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 38.385 cost/residue, 336 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 100 ## InsertFragment 268 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 14 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 6 ## JiggleSubtree 4 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 38.385 cost/residue, 336 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 102 ## InsertFragment 284 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 17 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 6 ## JiggleSubtree 5 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= -0.978379 -0.0541248 0.0291203 -0.197478 -6.93859 9.92501 16.1255 # generation 16: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 37.6661 cost/residue, 319 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 105 ## InsertFragment 301 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 6 ## JiggleSubtree 6 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 37.6528 cost/residue, 301 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 106 ## InsertFragment 321 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 6 ## JiggleSubtree 7 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 37.3956 cost/residue, 316 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 112 ## InsertFragment 338 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 6 ## JiggleSubtree 7 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 19: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 37.3956 cost/residue, 316 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 115 ## InsertFragment 354 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 6 ## JiggleSubtree 8 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # Removing break before 41 # generation 20: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 37.16 cost/residue, 303 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 115 ## InsertFragment 369 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 24 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 8 ## JiggleSubtree 11 ## OptSubtree 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 21: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 36.6036 cost/residue, 218 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 117 ## InsertFragment 385 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 26 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 8 ## JiggleSubtree 11 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # jumping subtree containing (T0180)L220 jump= 0.954067 0.019527 -0.281223 -0.101431 -12.1224 19.4128 11.9673 # generation 22: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 36.6036 cost/residue, 218 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 120 ## InsertFragment 399 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 9 ## JiggleSubtree 12 ## OptSubtree 21 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= -0.917195 -0.261251 -0.175649 -0.244232 -3.93197 13.8911 -14.8665 # generation 23: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 36.4014 cost/residue, 233 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 121 ## InsertFragment 418 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 9 ## JiggleSubtree 12 ## OptSubtree 25 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 31 # Removing break before 31 # generation 24: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 36.3542 cost/residue, 236 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 122 ## InsertFragment 436 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 26 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 11 ## JiggleSubtree 14 ## OptSubtree 25 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= -0.708291 0.009745 0.401153 0.580779 -7.19642 -25.8806 30.449 # generation 25: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 36.1762 cost/residue, 227 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 125 ## InsertFragment 448 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 29 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 11 ## JiggleSubtree 16 ## OptSubtree 29 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)A240 jump= 0.776345 0.205448 -0.589977 0.0837122 -28.7033 -4.39672 16.4038 # generation 26: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 36.036 cost/residue, 267 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 128 ## InsertFragment 462 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 29 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 11 ## JiggleSubtree 19 ## OptSubtree 33 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 27: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 35.8031 cost/residue, 211 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 132 ## InsertFragment 477 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 31 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 11 ## JiggleSubtree 19 ## OptSubtree 36 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 28: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 35.5592 cost/residue, 205 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 135 ## InsertFragment 488 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 11 ## JiggleSubtree 22 ## OptSubtree 41 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 73 # generation 29: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 35.4945 cost/residue, 209 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 137 ## InsertFragment 504 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 12 ## JiggleSubtree 22 ## OptSubtree 44 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 73 # Removing break before 73 # generation 30: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 35.4831 cost/residue, 210 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 139 ## InsertFragment 516 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 14 ## JiggleSubtree 26 ## OptSubtree 47 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= 0.715961 -0.130118 -0.484403 -0.485616 -5.48479 10.8919 -6.70822 # Removing break before 73 # Removing break before 73 # Removing break before 49 # generation 31: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 35.1522 cost/residue, 201 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 142 ## InsertFragment 524 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 18 ## JiggleSubtree 30 ## OptSubtree 52 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 73 # generation 32: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 35.0405 cost/residue, 210 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 142 ## InsertFragment 533 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 19 ## JiggleSubtree 38 ## OptSubtree 58 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 33: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 35.0405 cost/residue, 210 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 143 ## InsertFragment 545 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 19 ## JiggleSubtree 44 ## OptSubtree 62 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing (T0180)L220 jump= 0.853123 0.0958123 -0.485892 0.164043 -20.5016 1.29228 24.3925 # generation 34: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 34.8147 cost/residue, 218 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 146 ## InsertFragment 553 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 20 ## JiggleSubtree 48 ## OptSubtree 70 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 35: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 34.8147 cost/residue, 218 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 148 ## InsertFragment 565 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 21 ## JiggleSubtree 51 ## OptSubtree 76 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 65 # Removing break before 73 # Removing break before 65 # Removing break before 23 # Removing break before 54 # jumping subtree containing (T0180)M1 jump= 0.975009 0.00929354 0.0126311 -0.221609 -12.8098 -15.8929 5.1995 # generation 36: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 34.3457 cost/residue, 218 clashes 0.00632935 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 149 ## InsertFragment 573 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 25 ## JiggleSubtree 56 ## OptSubtree 82 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 23 # generation 37: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 34.3373 cost/residue, 213 clashes 0.00632935 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 149 ## InsertFragment 585 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 26 ## JiggleSubtree 64 ## OptSubtree 86 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # Removing break before 44 # Removing break before 44 # jumping subtree containing (T0180)I45 jump= -0.88216 0.0503495 -0.363319 -0.295394 -51.2001 17.8926 -23.6639 # Removing break before 46 # Removing break before 44 # generation 38: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 34.2896 cost/residue, 211 clashes 0.00632935 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 150 ## InsertFragment 590 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 31 ## JiggleSubtree 69 ## OptSubtree 94 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # jumping subtree containing (T0180)I45 jump= 0.299107 0.438841 -0.261926 -0.805822 -6.39 -46.4488 -3.11402 # Removing break before 44 # Removing break before 46 # Removing break before 44 # generation 39: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 34.067 cost/residue, 209 clashes 0.00632935 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 153 ## InsertFragment 596 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 76 ## OptSubtree 100 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)P222 jump= -0.9773 -0.017471 -0.176843 0.115352 -22.1293 -15.6335 -9.64024 # Removing break before 44 # Removing break before 44 # Removing break before 44 # Removing break before 44 # generation 40: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 34.067 cost/residue, 209 clashes 0.00632938 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 153 ## InsertFragment 600 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 81 ## OptSubtree 114 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)I45 jump= 0.922757 -0.22459 0.223167 -0.219716 -10.1709 17.6042 -6.39075 # Removing break before 44 # jumping subtree containing (T0180)V218 jump= 0.874037 -0.213464 -0.0170222 -0.436122 -19.1851 -18.6782 28.8383 # jumping subtree containing (T0180)I45 jump= -0.920108 -0.223068 0.204537 0.248608 26.0702 -13.1923 38.9987 # Removing break before 44 # generation 41: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.9375 cost/residue, 207 clashes 0.00632941 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 153 ## InsertFragment 606 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 89 ## OptSubtree 124 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= 0.903123 -0.321591 -0.280885 -0.045307 -6.72441 20.6989 11.1982 # Removing break before 44 # Removing break before 44 # Removing break before 44 # Removing break before 44 # jumping subtree containing (T0180)V18 jump= 0.985723 -0.0653635 0.0865931 -0.128764 -20.0072 4.34522 7.35938 # generation 42: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.9179 cost/residue, 203 clashes 0.00632941 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 153 ## InsertFragment 613 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 95 ## OptSubtree 135 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # Removing break before 44 # jumping subtree containing (T0180)H49 jump= 0.770873 0.0380723 -0.546325 -0.325323 -0.928072 -2.42012 48.9443 # generation 43: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.8842 cost/residue, 200 clashes 0.00632946 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 153 ## InsertFragment 617 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 100 ## OptSubtree 150 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # jumping subtree containing (T0180)V216 jump= -0.725326 0.667367 -0.121158 -0.11766 14.0378 -23.3855 -14.6966 # Removing break before 44 # Removing break before 44 # generation 44: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.8842 cost/residue, 200 clashes 0.00632946 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 153 ## InsertFragment 619 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 107 ## OptSubtree 165 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # Removing break before 44 # jumping subtree containing (T0180)L10 jump= 0.682725 -0.472893 0.0836488 0.550691 -1.0577 -44.1492 -1.3266 # Removing break before 44 # Removing break before 44 # jumping subtree containing (T0180)I45 jump= 0.972184 0.210373 -0.0272907 0.099284 -10.4757 30.9933 7.42578 # Removing break before 44 # generation 45: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.8842 cost/residue, 200 clashes 0.00632944 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 153 ## InsertFragment 622 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 116 ## OptSubtree 177 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)V216 jump= -0.317845 0.414498 -0.000760664 -0.85274 -20.2346 4.36648 -15.0956 # Removing break before 44 # Removing break before 44 # Removing break before 44 # Removing break before 44 # jumping subtree containing (T0180)A234 jump= -0.712355 -0.523184 -0.285213 0.370786 4.83882 35.9724 -9.11625 # Removing break before 44 # Removing break before 44 # generation 46: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.63 cost/residue, 200 clashes 0.00632943 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 153 ## InsertFragment 624 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 127 ## OptSubtree 188 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)I45 jump= -0.396075 0.673864 -0.493953 0.380844 -44.3027 -48.3712 7.61012 # jumping subtree containing (T0180)V216 jump= -0.747496 -0.106448 0.423431 0.500625 22.7503 -25.2699 26.4892 # Removing break before 44 # Removing break before 44 # Removing break before 44 # Removing break before 44 # Removing break before 44 # generation 47: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.63 cost/residue, 200 clashes 0.00632943 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 153 ## InsertFragment 627 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 136 ## OptSubtree 200 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # jumping subtree containing (T0180)I45 jump= 0.916661 0.182547 0.0212332 -0.354907 12.5306 -36.0049 5.0241 # jumping subtree containing (T0180)V216 jump= 0.629148 -0.598775 0.153669 0.471198 11.5227 -36.134 -8.05502 # Removing break before 44 # Removing break before 44 # Removing break before 44 # Removing break before 44 # jumping subtree containing (T0180)V216 jump= -0.50506 0.281151 0.637322 -0.509597 13.5261 -13.8545 9.04692 # Removing break before 44 # generation 48: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.63 cost/residue, 200 clashes 0.00632954 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 154 ## InsertFragment 630 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 143 ## OptSubtree 213 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)V216 jump= -0.476042 -0.371835 -0.695333 -0.389403 -9.22509 -17.7882 4.01314 # Removing break before 44 # Removing break before 44 # Removing break before 44 # jumping subtree containing (T0180)I45 jump= -0.874928 0.162271 0.166352 -0.424848 -19.5629 10.5398 -30.8189 # jumping subtree containing (T0180)R205 jump= -0.427512 -0.496998 0.453521 -0.603775 -8.91383 23.7102 36.4902 # Removing break before 44 # jumping subtree containing (T0180)M1 jump= 0.210393 -0.791118 0.557305 0.138847 -32.2102 -45.2054 5.76868 # generation 49: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.63 cost/residue, 200 clashes 0.00632954 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 154 ## InsertFragment 631 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 152 ## OptSubtree 227 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # jumping subtree containing (T0180)V216 jump= -0.26967 0.819009 0.498897 -0.0872049 4.25152 -16.4697 -40.2092 # jumping subtree containing (T0180)I45 jump= 0.148794 -0.414099 0.327394 -0.836179 -62.7878 -72.0919 -14.6801 # jumping subtree containing (T0180)E26 jump= -0.965316 -0.188312 0.176156 0.0409047 3.49298 -2.74646 25.2637 # Removing break before 44 # jumping subtree containing (T0180)I45 jump= 0.444146 -0.340887 0.826945 -0.0518857 11.2446 6.88378 -71.183 # jumping subtree containing (T0180)L220 jump= 0.674036 -0.369157 0.374334 -0.518916 -27.2127 -27.4392 -29.4554 # generation 50: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.4934 cost/residue, 210 clashes 0.00632943 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 154 ## InsertFragment 634 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 161 ## OptSubtree 239 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)L220 jump= -0.0026096 -0.470467 -0.766289 0.437556 10.5352 -17.0372 -9.73051 # Removing break before 44 # Removing break before 44 # jumping subtree containing (T0180)M1 jump= -0.681486 0.0735551 -0.277149 0.673316 7.5036 -31.8656 1.97698 # Removing break before 44 # Removing break before 44 # Removing break before 44 # Removing break before 44 # generation 51: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.4934 cost/residue, 210 clashes 0.00632931 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 154 ## InsertFragment 636 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 168 ## OptSubtree 254 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # Removing break before 44 # Removing break before 44 # Removing break before 44 # generation 52: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.4916 cost/residue, 219 clashes 0.00632943 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 154 ## InsertFragment 637 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 177 ## OptSubtree 268 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # jumping subtree containing (T0180)V216 jump= 0.522278 0.604252 0.510076 0.319262 -44.7363 17.7032 32.5719 # Removing break before 44 # jumping subtree containing (T0180)S30 jump= -0.99083 0.111216 -0.0295588 -0.0708051 6.83866 -13.7829 7.08773 # Removing break before 44 # Removing break before 44 # generation 53: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.3027 cost/residue, 217 clashes 0.00632945 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 154 ## InsertFragment 639 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 183 ## OptSubtree 284 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 54: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.3027 cost/residue, 217 clashes 0.00632951 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 154 ## InsertFragment 639 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 191 ## OptSubtree 300 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # Removing break before 44 # Removing break before 44 # jumping subtree containing (T0180)V218 jump= -0.999805 0.0101218 -0.0146041 0.00865473 -6.60176 -11.6536 -22.9676 # Removing break before 44 # jumping subtree containing (T0180)V218 jump= -0.719348 -0.148408 0.0293914 0.677975 27.2301 -27.2285 5.12818 # Removing break before 44 # Removing break before 44 # generation 55: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.3027 cost/residue, 217 clashes 0.00632949 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 154 ## InsertFragment 641 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 197 ## OptSubtree 319 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)V218 jump= -0.371419 0.629542 0.623611 -0.277191 -23.0632 -4.57109 14.8111 # Removing break before 44 # Removing break before 44 # generation 56: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.2854 cost/residue, 221 clashes 0.00632949 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 154 ## InsertFragment 643 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 20 ## OneRotamer 1 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 210 ## OptSubtree 331 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # Removing break before 44 # jumping subtree containing (T0180)M1 jump= -0.773835 -0.196116 -0.590897 0.116443 -6.7245 27.8281 12.2454 # Removing break before 44 # jumping subtree containing (T0180)D23 jump= -0.241743 -0.324343 -0.853193 -0.329278 -14.0337 -19.0097 56.4388 # generation 57: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.2832 cost/residue, 219 clashes 0.00632949 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 155 ## InsertFragment 644 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 21 ## OneRotamer 1 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 221 ## OptSubtree 341 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # Removing break before 44 # Removing break before 44 # jumping subtree containing (T0180)V32 jump= -0.465594 0.36961 -0.236999 -0.768403 -17.4555 -17.6437 -3.59356 # jumping subtree containing (T0180)V216 jump= -0.153054 -0.67889 0.662035 0.278196 6.97793 15.9403 62.2317 # generation 58: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.2354 cost/residue, 222 clashes 0.0264092 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 155 ## InsertFragment 645 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 21 ## OneRotamer 1 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 228 ## OptSubtree 364 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= 0.341567 0.0890265 -0.927515 -0.122974 3.75013 18.4727 49.7528 # Removing break before 44 # jumping subtree containing (T0180)S30 jump= 0.639194 -0.316742 0.106024 0.692722 -24.3969 -53.5815 -27.7353 # Removing break before 44 # jumping subtree containing (T0180)V216 jump= -0.893506 0.00883541 -0.357962 -0.270985 0.0247803 -11.8248 -4.80969 # jumping subtree containing (T0180)V216 jump= 0.405515 0.165482 -0.356625 -0.825222 -14.4997 -6.74734 28.7952 # generation 59: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.2354 cost/residue, 222 clashes 0.0264093 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 155 ## InsertFragment 648 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 21 ## OneRotamer 1 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 236 ## OptSubtree 381 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= 0.0190846 0.597687 -0.162949 -0.784763 6.75533 -23.4641 22.921 # Removing break before 113 # jumping subtree containing (T0180)A227 jump= 0.965991 -0.164581 -0.0593587 0.190394 -1.75281 12.687 -18.9642 # Removing break before 44 # jumping subtree containing (T0180)V216 jump= 0.290343 0.304326 0.894182 -0.153381 16.5857 19.7241 34.5394 # Removing break before 44 # Removing break before 113 # jumping subtree containing (T0180)V216 jump= 0.933218 -0.336939 0.124593 -0.00722581 -25.7407 -9.48519 11.3704 # generation 60: best score out of 40: T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD 33.2354 cost/residue, 222 clashes 0.0264093 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 155 ## InsertFragment 649 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 21 ## OneRotamer 1 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 33 ## JiggleSubtree 246 ## OptSubtree 397 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1508252465.pdb -s /projects/compbio/tmp/to_scwrl_1508252465.seq -o /projects/compbio/tmp/from_scwrl_1508252465.pdb -a /projects/compbio/tmp/from_scwrl_1508252465_a.pdb -b /projects/compbio/tmp/from_scwrl_1508252465_b.pdb > /projects/compbio/tmp/scwrl_1508252465.log # T0180.try1+T0180-1ezvD-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1ezvD-scwrl 31.563 cost/residue 139 clashes 0.0264093 breaks # iteration 4 # filling pool to have 40 conformations # best score in initial pool out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1bx1A-vit-adpstyle5.pw.a2m.gz:1bx1A at pool[33] 80.6487 cost/residue, 425 clashes 0.602801 breaks # optimizing backbone with 40 conformations in pool # doing 60 generations, with 180 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 61.545 cost/residue, 299 clashes 0.0756013 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 22 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 0 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 61.0007 cost/residue, 249 clashes 0.0756013 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 43 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 50.9325 cost/residue, 396 clashes 0.0756013 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 25 ## InsertFragment 68 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 1 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 49.3924 cost/residue, 336 clashes 0.0756013 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 90 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 1 ## CloseGap 2 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 47.9861 cost/residue, 353 clashes 0.0756013 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 32 ## InsertFragment 109 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 1 ## CloseGap 5 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 47.4006 cost/residue, 346 clashes 0.0756013 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 38 ## InsertFragment 129 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 1 ## CloseGap 7 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 46.8301 cost/residue, 418 clashes 0.0756013 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 41 ## InsertFragment 149 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 8 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 46.7463 cost/residue, 336 clashes 0.0756013 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 161 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 1 ## CloseGap 13 ## JiggleSubtree 2 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 45.8663 cost/residue, 321 clashes 0.0756013 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 180 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 11 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 1 ## CloseGap 15 ## JiggleSubtree 2 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 44.9817 cost/residue, 315 clashes 0.0756013 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 199 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 1 ## CloseGap 17 ## JiggleSubtree 2 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 44.808 cost/residue, 346 clashes 0.0756013 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 58 ## InsertFragment 222 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 1 ## CloseGap 19 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 44.5047 cost/residue, 305 clashes 0.0756013 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 241 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 1 ## CloseGap 21 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 44.4018 cost/residue, 305 clashes 0.0756013 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 255 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 14 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 1 ## CloseGap 24 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 43.6446 cost/residue, 282 clashes 0.0515522 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 268 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 16 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 1 ## CloseGap 27 ## JiggleSubtree 4 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 43.6446 cost/residue, 282 clashes 0.0515522 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 280 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 1 ## CloseGap 32 ## JiggleSubtree 5 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 43.3535 cost/residue, 318 clashes 0.0454749 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 74 ## InsertFragment 297 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 1 ## CloseGap 33 ## JiggleSubtree 6 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 42.9423 cost/residue, 303 clashes 0.0559984 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 74 ## InsertFragment 318 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 1 ## CloseGap 34 ## JiggleSubtree 6 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 42.4311 cost/residue, 298 clashes 0.0472814 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 76 ## InsertFragment 336 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 1 ## CloseGap 34 ## JiggleSubtree 8 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 19: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 42.1853 cost/residue, 292 clashes 0.0491021 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 78 ## InsertFragment 353 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 24 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 36 ## JiggleSubtree 9 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 20: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 42.1754 cost/residue, 293 clashes 0.0472814 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 368 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 26 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 39 ## JiggleSubtree 9 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 21: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 41.9504 cost/residue, 274 clashes 0.0472814 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 84 ## InsertFragment 382 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 27 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 44 ## JiggleSubtree 10 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 22: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 41.9504 cost/residue, 274 clashes 0.0472814 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 396 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 27 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 50 ## JiggleSubtree 11 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 23: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 41.7446 cost/residue, 270 clashes 0.0472814 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 410 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 27 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 59 ## JiggleSubtree 12 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= -0.0572828 -0.990156 0.127411 -0.00869193 5.73806 -46.7724 -84.9335 # generation 24: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 41.7446 cost/residue, 270 clashes 0.0472814 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 89 ## InsertFragment 421 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 28 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 64 ## JiggleSubtree 14 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 25: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 41.5378 cost/residue, 264 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 90 ## InsertFragment 433 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 28 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 72 ## JiggleSubtree 17 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)R231 jump= 0.417123 -0.0817334 0.827052 0.36785 5.86927 22.3649 -37.6713 # generation 26: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 41.5378 cost/residue, 264 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 92 ## InsertFragment 446 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 28 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 78 ## JiggleSubtree 18 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 27: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 41.4773 cost/residue, 258 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 93 ## InsertFragment 454 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 28 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 92 ## JiggleSubtree 19 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 28: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 41.4752 cost/residue, 269 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 93 ## InsertFragment 462 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 28 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 105 ## JiggleSubtree 22 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 29: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 41.3407 cost/residue, 263 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 474 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 28 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 115 ## JiggleSubtree 23 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 30: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 41.135 cost/residue, 257 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 483 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 29 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 125 ## JiggleSubtree 24 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)L20 jump= 0.497137 0.481072 -0.0188775 -0.72185 -17.6487 -28.0903 -33.4845 # generation 31: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 41.1349 cost/residue, 257 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 489 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 29 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 141 ## JiggleSubtree 29 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 32: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 41.1043 cost/residue, 260 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 497 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 151 ## JiggleSubtree 34 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 33: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 41.1043 cost/residue, 260 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 499 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 171 ## JiggleSubtree 35 ## OptSubtree 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 34: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 41.1043 cost/residue, 260 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 503 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 185 ## JiggleSubtree 40 ## OptSubtree 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 35: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.9276 cost/residue, 257 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 509 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 198 ## JiggleSubtree 46 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 36: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.8288 cost/residue, 252 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 511 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 219 ## JiggleSubtree 48 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 37: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.8288 cost/residue, 252 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 516 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 236 ## JiggleSubtree 53 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)V17 jump= -0.847359 -0.0523919 -0.263493 0.458049 45.857 -30.444 -15.0216 # generation 38: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.8109 cost/residue, 255 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 517 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 251 ## JiggleSubtree 57 ## OptSubtree 23 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)R19 jump= -0.97559 0.174224 0.108703 0.0778054 -6.14923 -10.1941 -13.874 # generation 39: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.7145 cost/residue, 255 clashes 0.0227878 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 518 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 269 ## JiggleSubtree 64 ## OptSubtree 24 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 75 # Removing break before 75 # generation 40: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.7043 cost/residue, 252 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 522 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 282 ## JiggleSubtree 68 ## OptSubtree 27 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 75 # Removing break before 75 # Removing break before 75 # Removing break before 75 # generation 41: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.6598 cost/residue, 251 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 528 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 292 ## JiggleSubtree 74 ## OptSubtree 30 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 75 # Removing break before 75 # Removing break before 75 # Removing break before 75 # generation 42: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.6598 cost/residue, 251 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 530 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 314 ## JiggleSubtree 76 ## OptSubtree 31 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)K211 jump= -0.647191 -0.528793 0.0437506 0.547365 -7.48125 -55.3575 1.27995 # generation 43: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.6462 cost/residue, 252 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 533 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 335 ## JiggleSubtree 77 ## OptSubtree 33 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 44: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.6462 cost/residue, 252 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 533 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 358 ## JiggleSubtree 78 ## OptSubtree 33 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 45: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.5909 cost/residue, 248 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 536 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 378 ## JiggleSubtree 83 ## OptSubtree 34 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 46: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.5897 cost/residue, 248 clashes 0.0299005 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 537 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 399 ## JiggleSubtree 89 ## OptSubtree 35 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 47: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.5694 cost/residue, 242 clashes 0.0288782 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 538 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 31 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 418 ## JiggleSubtree 95 ## OptSubtree 38 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 48: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.5694 cost/residue, 242 clashes 0.0288782 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 539 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 31 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 441 ## JiggleSubtree 96 ## OptSubtree 39 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 49: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.5694 cost/residue, 242 clashes 0.0288782 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 539 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 31 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 460 ## JiggleSubtree 101 ## OptSubtree 39 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)I45 jump= 0.951306 0.249105 -0.0916567 -0.156726 -3.65703 -6.87447 3.45352 # generation 50: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.5223 cost/residue, 247 clashes 0.0288783 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 540 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 31 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 478 ## JiggleSubtree 105 ## OptSubtree 40 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)K211 jump= -0.473984 -0.0815846 -0.853193 0.201853 69.5853 -6.58712 -64.7344 # generation 51: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.5223 cost/residue, 247 clashes 0.0288783 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 540 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 31 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 503 ## JiggleSubtree 106 ## OptSubtree 41 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 52: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.5196 cost/residue, 247 clashes 0.0288783 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 541 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 31 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 520 ## JiggleSubtree 113 ## OptSubtree 43 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 53: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.5195 cost/residue, 247 clashes 0.0288783 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 542 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 31 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 542 ## JiggleSubtree 114 ## OptSubtree 43 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)R19 jump= 0.174161 -0.725467 -0.501804 -0.437674 14.8468 7.60187 -61.8467 # generation 54: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.519 cost/residue, 247 clashes 0.0288782 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 542 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 32 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 561 ## JiggleSubtree 119 ## OptSubtree 44 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 55: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.4782 cost/residue, 248 clashes 0.0288783 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 543 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 32 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 587 ## JiggleSubtree 126 ## OptSubtree 45 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= 0.753271 0.304022 -0.157434 -0.561576 -46.9607 -43.4963 -34.9396 # generation 56: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.4782 cost/residue, 248 clashes 0.0288783 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 543 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 32 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 612 ## JiggleSubtree 129 ## OptSubtree 45 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 57: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.4782 cost/residue, 248 clashes 0.0288783 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 543 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 32 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 634 ## JiggleSubtree 132 ## OptSubtree 50 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)K211 jump= -0.853017 0.311677 0.41335 0.066043 -39.1565 28.0665 -50.0639 # generation 58: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.3955 cost/residue, 246 clashes 0.0288783 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 544 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 32 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 657 ## JiggleSubtree 132 ## OptSubtree 50 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 59: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.3955 cost/residue, 246 clashes 0.0288783 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 548 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 32 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 673 ## JiggleSubtree 136 ## OptSubtree 50 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)R19 jump= -0.47724 0.0519164 -0.847408 0.226818 59.2623 -5.09177 -64.3913 # generation 60: best score out of 40: T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD 40.2832 cost/residue, 257 clashes 0.0288783 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 96 ## InsertFragment 550 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 32 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 697 ## JiggleSubtree 139 ## OptSubtree 53 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_712254459.pdb -s /projects/compbio/tmp/to_scwrl_712254459.seq -o /projects/compbio/tmp/from_scwrl_712254459.pdb -a /projects/compbio/tmp/from_scwrl_712254459_a.pdb -b /projects/compbio/tmp/from_scwrl_712254459_b.pdb > /projects/compbio/tmp/scwrl_712254459.log # T0180.try1+T0180-1b65A-2track-...+T0180-1ezvD-local-adpstyle5.pw.a2m.gz:1ezvD-scwrl 39.1451 cost/residue 177 clashes 0.0288783 breaks # iteration 5 # filling pool to have 40 conformations # best score in initial pool out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD at pool[18] 94.2799 cost/residue, 796 clashes 0.543771 breaks # optimizing backbone with 40 conformations in pool # doing 60 generations, with 180 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 69.8219 cost/residue, 272 clashes 0.543771 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 27 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 0 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 2 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1bx0A-local-adpstyle1.pw.a2m.gz:1bx0A 65.5903 cost/residue, 341 clashes 0.349409 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 48 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 2 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1bx0A-local-adpstyle1.pw.a2m.gz:1bx0A 62.6797 cost/residue, 412 clashes 0.349409 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 23 ## InsertFragment 69 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 7 ## OneRotamer 1 ## ClashingRotamer 0 ## ReduceBreak 4 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1bx0A-local-adpstyle1.pw.a2m.gz:1bx0A 59.8642 cost/residue, 334 clashes 0.349409 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 88 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 10 ## OneRotamer 1 ## ClashingRotamer 0 ## ReduceBreak 4 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 58.4488 cost/residue, 542 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 35 ## InsertFragment 106 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 13 ## OneRotamer 1 ## ClashingRotamer 0 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 51.4515 cost/residue, 354 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 37 ## InsertFragment 129 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 16 ## OneRotamer 1 ## ClashingRotamer 0 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 47.3549 cost/residue, 258 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 46 ## InsertFragment 154 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 16 ## OneRotamer 1 ## ClashingRotamer 0 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 46.1043 cost/residue, 158 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 51 ## InsertFragment 178 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 18 ## OneRotamer 1 ## ClashingRotamer 0 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 45.133 cost/residue, 185 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 58 ## InsertFragment 193 ## TwoFragment 17 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 19 ## OneRotamer 1 ## ClashingRotamer 2 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 44.6725 cost/residue, 158 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 64 ## InsertFragment 209 ## TwoFragment 17 ## CrossOver 0 ## CrossAndInsert 8 ## ReduceClash 20 ## OneRotamer 2 ## ClashingRotamer 2 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 44.504 cost/residue, 195 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 226 ## TwoFragment 20 ## CrossOver 0 ## CrossAndInsert 8 ## ReduceClash 20 ## OneRotamer 2 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 44.504 cost/residue, 195 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 68 ## InsertFragment 247 ## TwoFragment 21 ## CrossOver 0 ## CrossAndInsert 8 ## ReduceClash 21 ## OneRotamer 2 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 44.0139 cost/residue, 141 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 71 ## InsertFragment 265 ## TwoFragment 21 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 22 ## OneRotamer 2 ## ClashingRotamer 3 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 43.2372 cost/residue, 126 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 280 ## TwoFragment 23 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 22 ## OneRotamer 2 ## ClashingRotamer 4 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 43.2372 cost/residue, 126 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 78 ## InsertFragment 296 ## TwoFragment 23 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 23 ## OneRotamer 3 ## ClashingRotamer 4 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 42.4223 cost/residue, 186 clashes 0.0840601 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 82 ## InsertFragment 314 ## TwoFragment 23 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 23 ## OneRotamer 4 ## ClashingRotamer 4 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 41.0994 cost/residue, 257 clashes 0.0431713 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 83 ## InsertFragment 331 ## TwoFragment 24 ## CrossOver 0 ## CrossAndInsert 16 ## ReduceClash 23 ## OneRotamer 4 ## ClashingRotamer 4 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 41.0994 cost/residue, 257 clashes 0.0431713 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 88 ## InsertFragment 352 ## TwoFragment 24 ## CrossOver 0 ## CrossAndInsert 16 ## ReduceClash 24 ## OneRotamer 5 ## ClashingRotamer 5 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)V17 jump= -0.889047 -0.0506613 -0.174526 -0.420202 -21.2083 10.7315 -8.44077 # generation 19: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 40.8585 cost/residue, 205 clashes 0.0567714 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 92 ## InsertFragment 367 ## TwoFragment 24 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 24 ## OneRotamer 6 ## ClashingRotamer 6 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 20: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 40.5943 cost/residue, 180 clashes 0.0546006 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 94 ## InsertFragment 386 ## TwoFragment 25 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 24 ## OneRotamer 7 ## ClashingRotamer 6 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 1 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)S39 jump= -0.711119 -0.021442 -0.111361 0.693865 -0.0700788 -44.8477 9.48473 # jumping subtree containing (T0180)G203 jump= -0.675502 0.647766 -0.166945 0.310202 -16.2824 -3.96434 -2.98721 # generation 21: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 40.4347 cost/residue, 202 clashes 0.0698176 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 97 ## InsertFragment 402 ## TwoFragment 25 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 24 ## OneRotamer 9 ## ClashingRotamer 6 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 1 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 22: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 40.2816 cost/residue, 231 clashes 0.0504897 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 97 ## InsertFragment 422 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 25 ## OneRotamer 9 ## ClashingRotamer 6 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 2 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 23: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 39.9317 cost/residue, 186 clashes 0.0546006 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 100 ## InsertFragment 441 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 25 ## OneRotamer 9 ## ClashingRotamer 6 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 2 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 24: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 39.9317 cost/residue, 186 clashes 0.0546006 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 458 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 10 ## ClashingRotamer 6 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 3 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 25: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 39.8088 cost/residue, 179 clashes 0.0546006 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 105 ## InsertFragment 477 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 24 ## ReduceClash 26 ## OneRotamer 11 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 3 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 26: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 39.8088 cost/residue, 179 clashes 0.0546006 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 107 ## InsertFragment 495 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 24 ## ReduceClash 27 ## OneRotamer 13 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 4 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 27: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 39.5979 cost/residue, 184 clashes 0.105 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 107 ## InsertFragment 513 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 25 ## ReduceClash 29 ## OneRotamer 15 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 5 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 28: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 39.2476 cost/residue, 185 clashes 0.04262 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 109 ## InsertFragment 531 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 25 ## ReduceClash 30 ## OneRotamer 16 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 5 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 29: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 39.2476 cost/residue, 185 clashes 0.04262 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 113 ## InsertFragment 545 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 25 ## ReduceClash 30 ## OneRotamer 16 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 7 ## OptSubtree 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)R219 jump= -0.498415 0.423867 -0.64155 0.400417 -31.2767 19.2114 22.2668 # generation 30: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 39.0724 cost/residue, 184 clashes 0.04262 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 116 ## InsertFragment 561 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 25 ## ReduceClash 31 ## OneRotamer 17 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 8 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 31: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 39.0661 cost/residue, 183 clashes 0.0425147 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 120 ## InsertFragment 575 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 25 ## ReduceClash 31 ## OneRotamer 20 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 9 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 32: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.9998 cost/residue, 182 clashes 0.0425147 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 123 ## InsertFragment 588 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 26 ## ReduceClash 31 ## OneRotamer 23 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 10 ## OptSubtree 22 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 33: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.9765 cost/residue, 225 clashes 0.04262 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 126 ## InsertFragment 601 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 28 ## ReduceClash 31 ## OneRotamer 25 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 10 ## OptSubtree 26 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 34: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.88 cost/residue, 221 clashes 0.04262 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 126 ## InsertFragment 617 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 28 ## ReduceClash 31 ## OneRotamer 28 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 10 ## OptSubtree 31 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 35: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.7673 cost/residue, 190 clashes 0.0425147 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 128 ## InsertFragment 634 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 29 ## ReduceClash 31 ## OneRotamer 30 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 10 ## OptSubtree 33 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 36: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.7673 cost/residue, 190 clashes 0.0425147 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 129 ## InsertFragment 653 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 31 ## OneRotamer 32 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 11 ## OptSubtree 33 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)R19 jump= 0.103845 -0.380594 0.444604 -0.804172 -16.0206 3.86514 38.5868 # generation 37: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.6324 cost/residue, 192 clashes 0.0425147 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 130 ## InsertFragment 665 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 31 ## ReduceClash 31 ## OneRotamer 38 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 12 ## OptSubtree 36 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 38: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.561 cost/residue, 188 clashes 0.0425147 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 130 ## InsertFragment 680 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 31 ## ReduceClash 33 ## OneRotamer 40 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 13 ## OptSubtree 40 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 39: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.534 cost/residue, 207 clashes 0.04262 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 131 ## InsertFragment 690 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 34 ## OneRotamer 44 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 14 ## OptSubtree 45 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 40: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.4172 cost/residue, 189 clashes 0.0425147 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 132 ## InsertFragment 707 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 35 ## OneRotamer 46 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 15 ## OptSubtree 47 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 41: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.4172 cost/residue, 189 clashes 0.0425147 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 132 ## InsertFragment 718 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 35 ## OneRotamer 51 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 16 ## OptSubtree 54 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 42: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.376 cost/residue, 186 clashes 0.0425147 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 136 ## InsertFragment 727 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 36 ## OneRotamer 55 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 16 ## OptSubtree 60 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 43: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.3295 cost/residue, 181 clashes 0.0425147 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 137 ## InsertFragment 734 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 36 ## OneRotamer 62 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 18 ## OptSubtree 66 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 44: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.3295 cost/residue, 181 clashes 0.0425147 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 138 ## InsertFragment 745 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 36 ## OneRotamer 65 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 20 ## OptSubtree 73 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)R219 jump= -0.898993 0.15103 -0.0444514 -0.408688 9.484 -2.4051 -15.798 # generation 45: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.3295 cost/residue, 181 clashes 0.0425147 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 138 ## InsertFragment 759 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 37 ## OneRotamer 70 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 20 ## OptSubtree 76 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)R219 jump= 0.956926 -0.0984073 -0.259036 0.0866564 14.9709 16.4435 17.9508 # jumping subtree containing (T0180)M1 jump= -0.80984 0.253623 0.508846 -0.144603 16.3265 -21.8479 -9.12896 # generation 46: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.2921 cost/residue, 178 clashes 0.0425147 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 138 ## InsertFragment 766 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 37 ## OneRotamer 75 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 25 ## OptSubtree 83 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 47: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.2205 cost/residue, 191 clashes 0.047014 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 139 ## InsertFragment 778 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 37 ## OneRotamer 78 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 26 ## OptSubtree 89 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= 0.217593 0.498401 0.1733 0.821107 7.72305 13.3217 -2.35422 # jumping subtree containing (T0180)M1 jump= -0.301905 -0.411568 0.837524 0.194984 -16.3356 -20.1334 16.4885 # generation 48: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.2205 cost/residue, 191 clashes 0.047014 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 139 ## InsertFragment 782 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 38 ## OneRotamer 83 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 28 ## OptSubtree 100 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= -0.585649 -0.345571 -0.712866 0.171517 11.2126 -6.36857 9.92646 # generation 49: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.0511 cost/residue, 186 clashes 0.0456579 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 140 ## InsertFragment 787 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 38 ## OneRotamer 92 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 32 ## OptSubtree 105 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)M1 jump= -0.967197 -0.0654053 -0.161756 -0.184626 0.163308 3.44422 -22.5703 # generation 50: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.0307 cost/residue, 183 clashes 0.0456579 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 140 ## InsertFragment 792 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 39 ## OneRotamer 98 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 34 ## OptSubtree 115 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 51: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 38.0028 cost/residue, 183 clashes 0.0456579 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 140 ## InsertFragment 799 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 39 ## OneRotamer 104 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 39 ## OptSubtree 121 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)R219 jump= 0.905576 -0.0691342 0.415053 0.0537094 -16.9778 -18.0582 -4.08954 # jumping subtree containing (T0180)R219 jump= 0.392861 -0.529554 -0.0560031 -0.749731 -38.6418 11.9624 12.386 # generation 52: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 37.9807 cost/residue, 179 clashes 0.0456579 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 140 ## InsertFragment 800 ## TwoFragment 27 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 39 ## OneRotamer 109 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 41 ## OptSubtree 136 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)R219 jump= 0.972465 -0.127532 -0.070707 0.18179 22.7122 -19.5914 3.77809 # generation 53: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 37.7042 cost/residue, 179 clashes 0.0456579 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 141 ## InsertFragment 801 ## TwoFragment 27 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 39 ## OneRotamer 117 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 46 ## OptSubtree 145 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)R219 jump= 0.97427 0.209053 0.0768821 -0.0344141 15.6579 15.7964 -25.5879 # jumping subtree containing (T0180)M1 jump= -0.845376 -0.323197 0.234856 0.354579 22.3371 -8.31812 4.99443 # generation 54: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 37.6968 cost/residue, 179 clashes 0.0456579 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 141 ## InsertFragment 807 ## TwoFragment 27 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 39 ## OneRotamer 124 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 49 ## OptSubtree 153 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)K211 jump= 0.899343 0.0465606 0.309736 -0.305087 -12.5354 29.1232 -2.90727 # jumping subtree containing (T0180)R219 jump= -0.584011 -0.686271 0.424789 0.0867089 23.3453 2.31009 17.1667 # jumping subtree containing (T0180)R219 jump= 0.994213 0.0738496 -0.0678957 -0.0384266 -17.8747 -21.5258 -0.614392 # generation 55: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 37.6968 cost/residue, 179 clashes 0.0456579 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 142 ## InsertFragment 814 ## TwoFragment 27 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 39 ## OneRotamer 130 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 49 ## OptSubtree 163 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 56: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 37.5128 cost/residue, 180 clashes 0.0456579 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 142 ## InsertFragment 816 ## TwoFragment 27 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 40 ## OneRotamer 139 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 52 ## OptSubtree 172 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)R219 jump= -0.94422 -0.00219783 0.107697 0.311201 -3.67403 4.08908 16.7752 # generation 57: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 37.5128 cost/residue, 180 clashes 0.0456579 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 142 ## InsertFragment 819 ## TwoFragment 27 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 41 ## OneRotamer 145 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 56 ## OptSubtree 182 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)A40 jump= -0.666064 -0.0487626 0.742263 -0.0550088 -16.291 8.52314 27.6834 # jumping subtree containing (T0180)M201 jump= -0.609678 0.194211 0.270384 -0.719352 -32.5319 -23.9914 -7.51468 # generation 58: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 37.442 cost/residue, 176 clashes 0.0456579 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 142 ## InsertFragment 824 ## TwoFragment 27 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 41 ## OneRotamer 155 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 60 ## OptSubtree 192 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)R219 jump= -0.999632 0.00484701 -0.0174692 -0.0201984 13.8452 14.0388 -4.69602 # generation 59: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 37.4341 cost/residue, 163 clashes 0.0456579 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 142 ## InsertFragment 827 ## TwoFragment 27 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 41 ## OneRotamer 164 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 63 ## OptSubtree 201 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)A40 jump= 0.899653 -0.373085 0.10307 0.202009 -1.26809 -13.2553 -11.1222 # generation 60: best score out of 40: T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD 37.4152 cost/residue, 173 clashes 0.0456579 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 143 ## InsertFragment 830 ## TwoFragment 27 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 41 ## OneRotamer 170 ## ClashingRotamer 7 ## ReduceBreak 4 ## CloseGap 3 ## JiggleSubtree 68 ## OptSubtree 210 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_903825185.pdb -s /projects/compbio/tmp/to_scwrl_903825185.seq -o /projects/compbio/tmp/from_scwrl_903825185.pdb -a /projects/compbio/tmp/from_scwrl_903825185_a.pdb -b /projects/compbio/tmp/from_scwrl_903825185_b.pdb > /projects/compbio/tmp/scwrl_903825185.log # T0180.try1+T0180-1ezvD-2track-...+T0180-1ezvD-simpleSW-adpstyle1.pw.a2m.gz:1ezvD-scwrl 36.9764 cost/residue 119 clashes 0.0456579 breaks # iteration 6 # filling pool to have 40 conformations # best score in initial pool out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA at pool[32] 69.0062 cost/residue, 316 clashes # optimizing backbone with 40 conformations in pool # doing 60 generations, with 180 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 68.9503 cost/residue, 324 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 6 ## InsertFragment 22 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 0 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 52.3759 cost/residue, 366 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 14 ## InsertFragment 44 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 0 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 52.1369 cost/residue, 339 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 20 ## InsertFragment 65 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 48.1498 cost/residue, 325 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 26 ## InsertFragment 89 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 47.9645 cost/residue, 292 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 36 ## InsertFragment 113 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 44.4956 cost/residue, 277 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 42 ## InsertFragment 132 ## TwoFragment 7 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 44.0701 cost/residue, 235 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 48 ## InsertFragment 152 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 43.626 cost/residue, 247 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 55 ## InsertFragment 170 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 43.626 cost/residue, 247 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 60 ## InsertFragment 184 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 43.2426 cost/residue, 217 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 64 ## InsertFragment 200 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 42.8935 cost/residue, 189 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 69 ## InsertFragment 214 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 15 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 42.8935 cost/residue, 189 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 74 ## InsertFragment 231 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 15 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 55 # generation 13: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 42.6335 cost/residue, 186 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 78 ## InsertFragment 249 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 15 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 5 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 42.1796 cost/residue, 186 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 83 ## InsertFragment 264 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 6 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 42.1796 cost/residue, 186 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 87 ## InsertFragment 280 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 6 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 42.0779 cost/residue, 181 clashes 0.0137852 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 92 ## InsertFragment 294 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 9 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 41.856 cost/residue, 176 clashes 0.0137852 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 96 ## InsertFragment 309 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 23 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 13 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 41.7282 cost/residue, 177 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 99 ## InsertFragment 328 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 23 ## ReduceClash 11 ## OneRotamer 1 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 14 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 55 # generation 19: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 41.7282 cost/residue, 177 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 101 ## InsertFragment 345 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 24 ## ReduceClash 11 ## OneRotamer 1 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 16 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)R204 jump= -0.189657 0.462018 0.173621 -0.848779 -77.2879 2.05591 -33.162 # generation 20: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 41.7282 cost/residue, 177 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 103 ## InsertFragment 362 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 25 ## ReduceClash 11 ## OneRotamer 1 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 18 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 21: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 41.4815 cost/residue, 177 clashes 0.0632226 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 105 ## InsertFragment 379 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 25 ## ReduceClash 12 ## OneRotamer 1 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 21 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 22: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 41.4808 cost/residue, 177 clashes 0.0632226 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 105 ## InsertFragment 395 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 25 ## ReduceClash 12 ## OneRotamer 1 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 28 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # generation 23: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 41.299 cost/residue, 161 clashes 0.0632226 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 105 ## InsertFragment 408 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 27 ## ReduceClash 12 ## OneRotamer 1 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 36 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 24: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 41.2583 cost/residue, 175 clashes 0.0421765 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 105 ## InsertFragment 426 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 27 ## ReduceClash 12 ## OneRotamer 1 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 42 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # generation 25: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 40.8625 cost/residue, 199 clashes 0.0425465 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 106 ## InsertFragment 444 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 28 ## ReduceClash 12 ## OneRotamer 1 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 43 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 26: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 40.563 cost/residue, 201 clashes 0.0760226 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 106 ## InsertFragment 456 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 30 ## ReduceClash 12 ## OneRotamer 1 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 53 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 27: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 40.4827 cost/residue, 198 clashes 0.0820814 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 106 ## InsertFragment 468 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 32 ## ReduceClash 12 ## OneRotamer 2 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 60 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 28: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 40.0958 cost/residue, 169 clashes 0.0922392 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 106 ## InsertFragment 477 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 2 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 67 ## OptSubtree 16 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 29: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 39.6647 cost/residue, 191 clashes 0.080074 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 109 ## InsertFragment 483 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 13 ## OneRotamer 2 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 78 ## OptSubtree 18 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 30: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 39.4209 cost/residue, 189 clashes 0.080074 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 110 ## InsertFragment 490 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 3 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 90 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 31: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 39.2004 cost/residue, 208 clashes 0.0864677 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 111 ## InsertFragment 501 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 14 ## OneRotamer 4 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 98 ## OptSubtree 21 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)N35 jump= -0.902563 0.418803 0.0999197 0.000776379 13.8255 37.2932 1.8186 # generation 32: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 38.9437 cost/residue, 215 clashes 0.0722601 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 112 ## InsertFragment 516 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 14 ## OneRotamer 4 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 104 ## OptSubtree 22 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 33: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 38.9399 cost/residue, 215 clashes 0.0722601 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 113 ## InsertFragment 521 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 14 ## OneRotamer 5 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 116 ## OptSubtree 25 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)L28 jump= -0.686468 -0.652867 0.00536304 0.320152 -21.4824 -1.49332 -59.7845 # generation 34: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 38.9247 cost/residue, 215 clashes 0.0719703 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 113 ## InsertFragment 525 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 14 ## OneRotamer 7 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 129 ## OptSubtree 29 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)L250 jump= -0.3614 -0.577568 -0.668222 -0.298807 22.4457 36.8156 -93.6316 # generation 35: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 38.7899 cost/residue, 221 clashes 0.0739793 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 113 ## InsertFragment 530 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 14 ## OneRotamer 9 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 139 ## OptSubtree 37 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 36: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 38.7898 cost/residue, 221 clashes 0.0739793 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 113 ## InsertFragment 532 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 14 ## OneRotamer 9 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 156 ## OptSubtree 40 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)T236 jump= -0.347679 -0.839015 -0.33951 0.244757 -42.7053 44.7374 -13.6843 # generation 37: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 38.5267 cost/residue, 222 clashes 0.0739793 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 114 ## InsertFragment 537 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 14 ## OneRotamer 9 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 172 ## OptSubtree 42 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 38: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 38.4088 cost/residue, 214 clashes 0.0663969 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 114 ## InsertFragment 545 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 14 ## OneRotamer 9 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 184 ## OptSubtree 44 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 39: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 38.3619 cost/residue, 202 clashes 0.07226 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 115 ## InsertFragment 548 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 14 ## OneRotamer 9 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 199 ## OptSubtree 50 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 40: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 38.2403 cost/residue, 205 clashes 0.0663969 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 115 ## InsertFragment 552 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 14 ## OneRotamer 9 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 216 ## OptSubtree 52 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 41: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 38.2397 cost/residue, 205 clashes 0.0663969 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 558 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 14 ## OneRotamer 11 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 226 ## OptSubtree 56 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 42: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 38.1864 cost/residue, 204 clashes 0.0663969 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 561 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 14 ## OneRotamer 12 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 243 ## OptSubtree 60 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 43: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 37.9598 cost/residue, 211 clashes 0.0743091 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 565 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 14 ## OneRotamer 12 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 264 ## OptSubtree 62 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 44: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 37.8287 cost/residue, 206 clashes 0.0743091 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 570 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 14 ## OneRotamer 13 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 281 ## OptSubtree 66 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 45: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 37.6611 cost/residue, 197 clashes 0.0743091 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 577 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 14 ## OneRotamer 15 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 297 ## OptSubtree 71 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 46: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 37.6294 cost/residue, 192 clashes 0.0743091 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 588 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 14 ## OneRotamer 15 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 309 ## OptSubtree 74 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)I245 jump= -0.863507 -0.240139 0.195727 -0.397971 -5.29129 1.81449 -6.99289 # jumping subtree containing (T0180)I42 jump= -0.993686 -0.0616426 0.0903462 -0.0250242 1.53554 6.12081 9.91359 # generation 47: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 37.5127 cost/residue, 199 clashes 0.074309 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 591 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 14 ## OneRotamer 15 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 332 ## OptSubtree 77 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 48: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 37.5126 cost/residue, 199 clashes 0.074309 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 593 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 14 ## OneRotamer 16 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 352 ## OptSubtree 80 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 49: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 37.5061 cost/residue, 195 clashes 0.0743091 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 597 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 14 ## OneRotamer 16 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 21 ## JiggleSubtree 375 ## OptSubtree 84 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)L250 jump= -0.153226 -0.50785 0.0829972 0.843636 -12.7235 77.1735 -25.2694 # generation 50: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 37.3721 cost/residue, 203 clashes 0.074309 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 599 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 14 ## OneRotamer 17 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 21 ## JiggleSubtree 391 ## OptSubtree 89 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 51: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 37.3715 cost/residue, 203 clashes 0.074309 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 601 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 14 ## OneRotamer 18 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 22 ## JiggleSubtree 408 ## OptSubtree 93 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 52: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 37.2958 cost/residue, 193 clashes 0.074309 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 604 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 38 ## ReduceClash 14 ## OneRotamer 19 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 427 ## OptSubtree 97 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)L250 jump= -0.377472 -0.114805 0.705725 0.588462 -12.706 58.7981 -41.7569 # jumping subtree containing (T0180)L250 jump= -0.987041 -0.0409168 0.131226 0.0828038 -28.0322 -5.05537 -29.7763 # generation 53: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 37.0898 cost/residue, 198 clashes 0.074309 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 606 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 39 ## ReduceClash 14 ## OneRotamer 19 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 446 ## OptSubtree 103 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)Y21 jump= 0.865816 0.022153 -0.0657019 -0.495535 -68.9816 27.1655 -8.64855 # generation 54: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 37.0898 cost/residue, 198 clashes 0.074309 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 612 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 14 ## OneRotamer 21 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 464 ## OptSubtree 108 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)L250 jump= 0.999784 -0.00689883 -0.0172896 -0.00922818 -9.85266 -1.87924 -3.70428 # generation 55: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 37.0385 cost/residue, 195 clashes 0.074309 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 612 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 14 ## OneRotamer 22 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 487 ## OptSubtree 111 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)L250 jump= 0.421812 -0.512327 -0.559244 0.496832 -34.0962 22.9027 35.0096 # generation 56: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 37.032 cost/residue, 188 clashes 0.0742033 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 613 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 14 ## OneRotamer 24 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 511 ## OptSubtree 115 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 57: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 37.0319 cost/residue, 188 clashes 0.0742033 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 615 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 14 ## OneRotamer 25 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 30 ## JiggleSubtree 533 ## OptSubtree 119 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 58: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 36.9869 cost/residue, 190 clashes 0.074309 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 618 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 14 ## OneRotamer 27 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 30 ## JiggleSubtree 552 ## OptSubtree 121 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 59: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 36.9868 cost/residue, 190 clashes 0.074309 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 618 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 14 ## OneRotamer 27 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 31 ## JiggleSubtree 581 ## OptSubtree 123 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)G3 jump= 0.997902 -0.0577106 -0.0175185 -0.0235304 23.7808 5.68677 3.04648 # generation 60: best score out of 40: T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA 36.9868 cost/residue, 190 clashes 0.074309 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 116 ## InsertFragment 618 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 14 ## OneRotamer 28 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 31 ## JiggleSubtree 603 ## OptSubtree 128 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_252533658.pdb -s /projects/compbio/tmp/to_scwrl_252533658.seq -o /projects/compbio/tmp/from_scwrl_252533658.pdb -a /projects/compbio/tmp/from_scwrl_252533658_a.pdb -b /projects/compbio/tmp/from_scwrl_252533658_b.pdb > /projects/compbio/tmp/scwrl_252533658.log # T0180.try1+T0180-1bx1A-vit-adp...+T0180-1d2zA-vit-adpstyle1.pw.a2m.gz:1d2zA-scwrl 36.5868 cost/residue 137 clashes 0.074309 breaks # iteration 7 # filling pool to have 40 conformations # best score in initial pool out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A at pool[12] 84.8935 cost/residue, 541 clashes 0.221308 breaks # optimizing backbone with 40 conformations in pool # doing 60 generations, with 180 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0180.try1+T0180-1b65A-2track-protein-STR-local-adpstyle1.pw.a2m.gz:1b65A 68.3029 cost/residue, 408 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 10 ## InsertFragment 21 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 1 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 61.3939 cost/residue, 243 clashes 0.221308 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 19 ## InsertFragment 42 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 56.8665 cost/residue, 412 clashes 0.221308 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 29 ## InsertFragment 62 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 55.144 cost/residue, 399 clashes 0.224469 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 87 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 54.9547 cost/residue, 398 clashes 0.224469 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 40 ## InsertFragment 106 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 1 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 54.5829 cost/residue, 384 clashes 0.224469 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 123 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 1 ## CloseGap 3 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)A234 jump= -0.92203 -0.107948 -0.1196 0.351999 -28.1983 -12.2181 8.91938 # generation 7: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 53.9029 cost/residue, 406 clashes 0.224469 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 50 ## InsertFragment 142 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 1 ## CloseGap 3 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0180)D52 jump= 0.0294937 0.221071 -0.765158 0.603979 -38.1502 3.08717 -17.1675 # generation 8: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 53.5934 cost/residue, 411 clashes 0.173087 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 53 ## InsertFragment 165 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 1 ## CloseGap 3 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 53.2892 cost/residue, 398 clashes 0.173087 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 58 ## InsertFragment 181 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 1 ## CloseGap 4 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 52.4619 cost/residue, 338 clashes 0.177618 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 63 ## InsertFragment 199 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 11 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 1 ## CloseGap 4 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 51.7281 cost/residue, 439 clashes 0.160591 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 68 ## InsertFragment 217 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 1 ## CloseGap 6 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 51.3206 cost/residue, 327 clashes 0.125408 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 71 ## InsertFragment 230 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 16 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 1 ## CloseGap 7 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 51.2717 cost/residue, 373 clashes 0.160591 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 245 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 17 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 1 ## CloseGap 8 ## JiggleSubtree 3 ## OptSubtree 2 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 48.4993 cost/residue, 445 clashes 0.114916 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 78 ## InsertFragment 261 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 1 ## CloseGap 9 ## JiggleSubtree 4 ## OptSubtree 3 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 48.3403 cost/residue, 490 clashes 0.114916 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 80 ## InsertFragment 281 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 1 ## CloseGap 9 ## JiggleSubtree 4 ## OptSubtree 3 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 47.8612 cost/residue, 417 clashes 0.114916 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 300 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 1 ## CloseGap 10 ## JiggleSubtree 4 ## OptSubtree 4 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 47.5739 cost/residue, 395 clashes 0.114916 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 91 ## InsertFragment 316 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 1 ## CloseGap 10 ## JiggleSubtree 4 ## OptSubtree 6 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 47.3765 cost/residue, 413 clashes 0.114916 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 93 ## InsertFragment 336 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 5 ## OptSubtree 6 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 19: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 46.9507 cost/residue, 383 clashes 0.119604 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 98 ## InsertFragment 353 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 5 ## OptSubtree 8 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 20: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 46.9507 cost/residue, 383 clashes 0.119604 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 101 ## InsertFragment 367 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 24 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 1 ## CloseGap 14 ## JiggleSubtree 5 ## OptSubtree 9 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 21: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 46.7676 cost/residue, 383 clashes 0.119604 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 106 ## InsertFragment 382 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 24 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 1 ## CloseGap 15 ## JiggleSubtree 5 ## OptSubtree 12 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 22: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 46.4206 cost/residue, 394 clashes 0.119604 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 110 ## InsertFragment 396 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 25 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 1 ## CloseGap 17 ## JiggleSubtree 7 ## OptSubtree 13 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 23: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 46.0382 cost/residue, 400 clashes 0.0935374 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 111 ## InsertFragment 413 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 25 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 1 ## CloseGap 19 ## JiggleSubtree 9 ## OptSubtree 15 ## ReduceConstraint 1 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 24: best score out of 40: T0180.try1+T0180-1qqfA-2track-...+T0180-1bx0A-vit-adpstyle1.pw.a2m.gz:1bx0A 45.9202 cost/residue, 410 clashes 0.0845128 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 115 ## InsertFragment 424 ## TwoFragment 6 ## CrossOver 0 ## CrossAndI