# command:# Seed set to 1030579189 # 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= 10660 msec, elapsed time= 10864.2 msec) # Prefix for input files set to # Reading target chain from PDB file T0172.blank.pdb Read PDB file T0172.blank.pdb as target. Have 117 residues and 988 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 T0172.t2k.alpha.rdb # created predicted alpha cost function pred_alpha2 with 360 bins # reading script from file end.constraints # Constraint # added constraint: (T0172)V106.CA (T0172)N221.C min_dist=8 desired_dist=8.24 max_dist=8.5 # Constraint # added constraint: (T0172)S107.CA (T0172)N221.C min_dist=9 desired_dist=9.37 max_dist=9.8 # Constraint # added constraint: (T0172)S107.N (T0172)N221.C min_dist=9.5 desired_dist=9.89 max_dist=10.4 # Constraint # added constraint: (T0172)V106.CA (T0172)L222.CA min_dist=7 desired_dist=7.54 max_dist=8 # Constraint # added constraint: (T0172)S107.CA (T0172)L222.CA min_dist=8.6 desired_dist=9.18 max_dist=9.7 # Constraint # added constraint: (T0172)S107.N (T0172)L222.CA min_dist=9.5 desired_dist=9.94 max_dist=10.5 # SetCost created cost = # ( 0.2 * gen6.5(6.5) + 0.5 * wet6.5(6.5, /log(length)) + 2 * dry5(5) + 9 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1.2 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 10 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # command:CPU_time= 14030 msec, elapsed time= 14241.4 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= 18980 msec, elapsed time= 19186.9 msec) # command:# Prefix for input files set to # command:# Reading fragments from alignment file # T0172 read from T0172.t2k-2track-undertaker.a2m # command:# Prefix for input files set to # command:# reading script from file T0172.t2k.undertaker-align.script # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1ecmA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # adding 1ecmA to template set 1ecmA:# found chain 1ecmA in template set T0172 41 :P 1ecmA 18 :D Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0172 43 :EELAR 1ecmA 19 :EKLLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0172 51 :EYGEEKRFARRIARK 1ecmA 24 :LLAERRELAVEVGKA Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:1.65887 Ang R12.NH1 and R15.NH1 other bump:2.84112 Ang R12.NE and R15.NH1 other bump:1.95751 Ang R12.CZ and R15.NH1 other bump:2.5131 Ang R12.NH2 and R15.NH1 other bump:2.02555 Ang R12.NH1 and R15.CZ other bump:2.81207 Ang R12.CZ and R15.CZ other bump:2.04454 Ang R12.NH1 and R15.NE other bump:3.22942 Ang R12.CZ and R15.NE other bump:1.82256 Ang R12.NH1 and R15.CD other bump:3.12456 Ang R12.CZ and R15.CD other bump:2.79852 Ang E5.OE2 and F9.CZ T0172 66 :IVENRPLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAI 1ecmA 40 :LLSHRPVRDIDRERDLLERLITLGKAHHLDAHYITRLFQLI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.78513 Ang Y25.OH and F39.CZ other bump:2.02808 Ang Y25.OH and F39.CE1 other bump:2.63431 Ang Y25.OH and F39.CD1 other bump:3.01004 Ang Y25.CD2 and A35.CB other bump:2.84899 Ang Y25.CE2 and A35.CB other bump:3.01472 Ang L22.CD2 and R32.CA other bump:2.16035 Ang Y25.CD1 and R28.NH2 other bump:2.33617 Ang Y25.CE1 and R28.NH2 other bump:3.03917 Ang A21.CB and Y25.CE2 other bump:2.25071 Ang A21.O and Y25.CD2 other bump:2.75432 Ang A21.C and Y25.CD2 other bump:2.36347 Ang A21.O and Y25.CG other bump:1.5604 Ang R19.O and P23.CD other bump:2.72106 Ang R19.C and P23.CD other bump:3.00194 Ang E20.C and P23.CD other bump:2.19388 Ang R19.O and P23.CG other bump:2.96737 Ang V15.CG1 and R19.NH2 other bump:2.86529 Ang V15.CG1 and R19.CZ other bump:3.1262 Ang V15.CG1 and R19.NE Number of specific fragments= 4 total=4 Number of alignments=1 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1ecmA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1ecmA in template set T0172 46 :ARIIFEYGEEKRFARRIARK 1ecmA 19 :EKLLALLAERRELAVEVGKA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.65887 Ang R17.NH1 and R20.NH1 other bump:2.84112 Ang R17.NE and R20.NH1 other bump:1.95751 Ang R17.CZ and R20.NH1 other bump:2.5131 Ang R17.NH2 and R20.NH1 other bump:2.02555 Ang R17.NH1 and R20.CZ other bump:2.81207 Ang R17.CZ and R20.CZ other bump:2.04454 Ang R17.NH1 and R20.NE other bump:3.22942 Ang R17.CZ and R20.NE other bump:1.82256 Ang R17.NH1 and R20.CD other bump:3.12456 Ang R17.CZ and R20.CD other bump:2.79852 Ang E10.OE2 and F14.CZ other bump:2.76447 Ang I4.CG2 and Y8.OH other bump:2.58151 Ang I4.CG2 and Y8.CZ other bump:1.72696 Ang I4.CG2 and Y8.CE1 other bump:3.04044 Ang I4.CB and Y8.CE1 other bump:3.08109 Ang I4.C and Y8.CE1 other bump:2.83614 Ang I4.CG2 and Y8.CD1 other bump:2.16276 Ang I4.O and Y8.CD1 T0172 66 :IVENRPLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAI 1ecmA 40 :LLSHRPVRDIDRERDLLERLITLGKAHHLDAHYITRLFQLI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.78513 Ang Y25.OH and F39.CZ other bump:2.02808 Ang Y25.OH and F39.CE1 other bump:2.63431 Ang Y25.OH and F39.CD1 other bump:3.01004 Ang Y25.CD2 and A35.CB other bump:2.84899 Ang Y25.CE2 and A35.CB other bump:3.01472 Ang L22.CD2 and R32.CA other bump:2.16035 Ang Y25.CD1 and R28.NH2 other bump:2.33617 Ang Y25.CE1 and R28.NH2 other bump:3.03917 Ang A21.CB and Y25.CE2 other bump:2.25071 Ang A21.O and Y25.CD2 other bump:2.75432 Ang A21.C and Y25.CD2 other bump:2.36347 Ang A21.O and Y25.CG other bump:1.5604 Ang R19.O and P23.CD other bump:2.72106 Ang R19.C and P23.CD other bump:3.00194 Ang E20.C and P23.CD other bump:2.19388 Ang R19.O and P23.CG other bump:2.96737 Ang V15.CG1 and R19.NH2 other bump:2.86529 Ang V15.CG1 and R19.CZ other bump:3.1262 Ang V15.CG1 and R19.NE Number of specific fragments= 2 total=6 Number of alignments=2 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1hyeA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # adding 1hyeA to template set 1hyeA:# found chain 1hyeA in template set T0172 73 :NTTLDLVKAVREALPSYE 1hyeA 205 :LPIDEIIEDVKTKGEQII Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.51208 Ang V11.CB and L15.CD2 other bump:1.55043 Ang V11.CG1 and L15.CD2 other bump:2.47463 Ang V11.C and L15.CD2 other bump:2.57748 Ang V11.CA and L15.CD2 other bump:2.0578 Ang V11.O and L15.CD2 other bump:2.65424 Ang V11.C and L15.CD1 other bump:2.96952 Ang R12.CA and L15.CD1 other bump:1.98854 Ang V11.O and L15.CD1 other bump:2.81172 Ang V11.CG1 and L15.CG other bump:2.07892 Ang V11.C and L15.CG other bump:3.08035 Ang R12.N and L15.CG other bump:2.99946 Ang V11.CA and L15.CG other bump:1.03408 Ang V11.O and L15.CG other bump:2.23631 Ang V11.O and L15.CB other bump:2.58555 Ang T3.CG2 and D6.OD1 T0172 97 :HFATKTFQAIRIYVNREL 1hyeA 231 :GPAAAILNVVRCIVNNEK Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.95906 Ang F8.CE1 and R12.NH2 other bump:2.29954 Ang F8.CZ and R12.NH2 other bump:2.58977 Ang F8.CE1 and R12.NH1 other bump:2.77216 Ang F8.CD1 and R12.CZ other bump:1.81281 Ang F8.CE1 and R12.CZ other bump:2.79496 Ang F8.CZ and R12.CZ other bump:2.86717 Ang F8.CD1 and R12.NE other bump:2.13262 Ang F8.CE1 and R12.NE other bump:2.98381 Ang F8.CZ and R12.NE other bump:2.82477 Ang F8.CZ and R12.CD Number of specific fragments= 2 total=8 Number of alignments=3 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1hyeA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1hyeA in template set T0172 73 :NTTLDLVKAVREALPSYE 1hyeA 205 :LPIDEIIEDVKTKGEQII Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.51208 Ang V11.CB and L15.CD2 other bump:1.55043 Ang V11.CG1 and L15.CD2 other bump:2.47463 Ang V11.C and L15.CD2 other bump:2.57748 Ang V11.CA and L15.CD2 other bump:2.0578 Ang V11.O and L15.CD2 other bump:2.65424 Ang V11.C and L15.CD1 other bump:2.96952 Ang R12.CA and L15.CD1 other bump:1.98854 Ang V11.O and L15.CD1 other bump:2.81172 Ang V11.CG1 and L15.CG other bump:2.07892 Ang V11.C and L15.CG other bump:3.08035 Ang R12.N and L15.CG other bump:2.99946 Ang V11.CA and L15.CG other bump:1.03408 Ang V11.O and L15.CG other bump:2.23631 Ang V11.O and L15.CB other bump:2.58555 Ang T3.CG2 and D6.OD1 T0172 97 :HFATKTFQAIRIYVNRE 1hyeA 231 :GPAAAILNVVRCIVNNE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.95906 Ang F8.CE1 and R12.NH2 other bump:2.29954 Ang F8.CZ and R12.NH2 other bump:2.58977 Ang F8.CE1 and R12.NH1 other bump:1.81281 Ang F8.CE1 and R12.CZ other bump:2.79496 Ang F8.CZ and R12.CZ other bump:2.77216 Ang F8.CD1 and R12.CZ other bump:2.13262 Ang F8.CE1 and R12.NE other bump:2.98381 Ang F8.CZ and R12.NE other bump:2.86717 Ang F8.CD1 and R12.NE other bump:2.82477 Ang F8.CZ and R12.CD Number of specific fragments= 2 total=10 Number of alignments=4 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/T0172-1cwyA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1cwyA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/T0172-1cwyA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # adding 1cwyA to template set 1cwyA:# found chain 1cwyA in template set T0172 10 :NRGFTFEREEPLD 1cwyA 79 :ERGYVRLEDPGFP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.06603 Ang E11.CA and P12.CD neighbor-bump: 0.740652 Ang E11.O and P12.CD neighbor-bump: 0.641234 Ang E11.C and P12.CD self-bump: 2.25334 Ang P12.CA and P12.CD neighbor-bump: 1.69066 Ang E11.O and P12.CG neighbor-bump: 2.03289 Ang E11.C and P12.CG T0172 29 :SEVTAQKVLNELPEEELARIIFEYGEEKRFARRIARKIVENR 1cwyA 92 :QGRVDYGLLYAWKWPALKEAFRGFKEKASPEEREAFAAFRER Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.54165 Ang F31.O and I35.CD1 other bump:2.41567 Ang Y25.OH and R33.C other bump:2.30463 Ang Y25.CD1 and R33.NH2 other bump:2.602 Ang Y25.CE1 and R33.NH2 other bump:1.95411 Ang K29.CD and R33.NH2 other bump:0.992275 Ang K29.CE and R33.NH2 other bump:2.32629 Ang K29.NZ and R33.NH2 other bump:1.4544 Ang K29.CD and R33.NH1 other bump:2.16269 Ang K29.CE and R33.NH1 other bump:2.86309 Ang K29.NZ and R33.NH1 other bump:2.76872 Ang Y25.CD1 and R33.CZ other bump:2.6227 Ang Y25.CE1 and R33.CZ other bump:2.98594 Ang K29.CG and R33.CZ other bump:1.46867 Ang K29.CD and R33.CZ other bump:1.72077 Ang K29.CE and R33.CZ other bump:2.98903 Ang K29.NZ and R33.CZ other bump:2.41193 Ang K29.CD and R33.NE other bump:2.88884 Ang K29.CE and R33.NE other bump:2.58482 Ang Y25.OH and R33.CB other bump:2.79572 Ang Y25.CA and K29.NZ other bump:2.7606 Ang Y25.CB and K29.NZ other bump:2.46751 Ang Y25.CD1 and K29.NZ other bump:2.82889 Ang Y25.CG and K29.CE other bump:1.68552 Ang Y25.CD1 and K29.CE other bump:2.42916 Ang Y25.CE1 and K29.CE other bump:3.01753 Ang Y25.CG and K29.CD other bump:1.83546 Ang Y25.CD1 and K29.CD other bump:1.93849 Ang Y25.CE1 and K29.CD other bump:3.22441 Ang Y25.CA and K29.CG other bump:2.26891 Ang Y25.CG and K29.CG other bump:1.76309 Ang Y25.CD1 and K29.CG other bump:2.84631 Ang Y25.CD2 and K29.CG other bump:2.05466 Ang Y25.CE1 and K29.CG other bump:3.23174 Ang Y25.C and K29.CG other bump:2.96734 Ang Y25.CE1 and K29.CB other bump:2.16011 Ang E12.O and E16.OE1 T0172 71 :PLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAIR 1cwyA 136 :WWLEDYALFMALKGAHGGLPWNRWPLPLRKREEKALR Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.81024 Ang R14.N and R25.NH2 other bump:2.25652 Ang V13.CB and R25.NH1 other bump:1.38823 Ang V13.CG1 and R25.NH1 other bump:2.50532 Ang V13.C and R25.NH1 other bump:2.44299 Ang V13.CG1 and R25.CZ other bump:3.17248 Ang V13.CG1 and R25.NE other bump:2.53242 Ang L17.O and Y20.CD1 other bump:2.64998 Ang P18.CG and Y20.CD1 neighbor-bump: 2.06041 Ang L17.O and P18.CD neighbor-bump: 1.08712 Ang L17.C and P18.CD self-bump: 1.32993 Ang P18.N and P18.CD neighbor-bump: 2.61862 Ang L17.N and P18.CD neighbor-bump: 1.68396 Ang L17.CA and P18.CD neighbor-bump: 1.62504 Ang L17.O and P18.CG neighbor-bump: 1.69414 Ang L17.C and P18.CG self-bump: 2.14137 Ang P18.N and P18.CG neighbor-bump: 2.75738 Ang L17.CA and P18.CG neighbor-bump: 2.57053 Ang L17.C and P18.CB other bump:2.53353 Ang T6.O and V10.CG2 Number of specific fragments= 3 total=13 Number of alignments=5 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/T0172-1cwyA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1cwyA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/T0172-1cwyA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1cwyA in template set T0172 9 :ENRGFTFEREEPL 1cwyA 78 :AERGYVRLEDPGF Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.06603 Ang E12.CA and P13.CD neighbor-bump: 0.740652 Ang E12.O and P13.CD neighbor-bump: 0.641234 Ang E12.C and P13.CD self-bump: 2.25334 Ang P13.CA and P13.CD neighbor-bump: 1.69066 Ang E12.O and P13.CG neighbor-bump: 2.03289 Ang E12.C and P13.CG T0172 28 :ESEVTAQKVLNELPEEELARIIFEYGEEKRFARRIARKIVENR 1cwyA 91 :PQGRVDYGLLYAWKWPALKEAFRGFKEKASPEEREAFAAFRER Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:2.54165 Ang F32.O and I36.CD1 other bump:2.41567 Ang Y26.OH and R34.C other bump:2.30463 Ang Y26.CD1 and R34.NH2 other bump:2.602 Ang Y26.CE1 and R34.NH2 other bump:1.95411 Ang K30.CD and R34.NH2 other bump:0.992275 Ang K30.CE and R34.NH2 other bump:2.32629 Ang K30.NZ and R34.NH2 other bump:1.4544 Ang K30.CD and R34.NH1 other bump:2.16269 Ang K30.CE and R34.NH1 other bump:2.86309 Ang K30.NZ and R34.NH1 other bump:2.76872 Ang Y26.CD1 and R34.CZ other bump:2.6227 Ang Y26.CE1 and R34.CZ other bump:2.98594 Ang K30.CG and R34.CZ other bump:1.46867 Ang K30.CD and R34.CZ other bump:1.72077 Ang K30.CE and R34.CZ other bump:2.98903 Ang K30.NZ and R34.CZ other bump:2.41193 Ang K30.CD and R34.NE other bump:2.88884 Ang K30.CE and R34.NE other bump:2.58482 Ang Y26.OH and R34.CB other bump:2.79572 Ang Y26.CA and K30.NZ other bump:2.7606 Ang Y26.CB and K30.NZ other bump:2.46751 Ang Y26.CD1 and K30.NZ other bump:2.82889 Ang Y26.CG and K30.CE other bump:1.68552 Ang Y26.CD1 and K30.CE other bump:2.42916 Ang Y26.CE1 and K30.CE other bump:3.01753 Ang Y26.CG and K30.CD other bump:1.83546 Ang Y26.CD1 and K30.CD other bump:1.93849 Ang Y26.CE1 and K30.CD other bump:3.22441 Ang Y26.CA and K30.CG other bump:2.26891 Ang Y26.CG and K30.CG other bump:1.76309 Ang Y26.CD1 and K30.CG other bump:2.84631 Ang Y26.CD2 and K30.CG other bump:2.05466 Ang Y26.CE1 and K30.CG other bump:3.23174 Ang Y26.C and K30.CG other bump:2.96734 Ang Y26.CE1 and K30.CB other bump:2.16011 Ang E13.O and E17.OE1 other bump:2.91477 Ang E2.OE1 and A7.CB T0172 71 :PLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAIRI 1cwyA 136 :WWLEDYALFMALKGAHGGLPWNRWPLPLRKREEKALRE Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.81024 Ang R14.N and R25.NH2 other bump:2.25652 Ang V13.CB and R25.NH1 other bump:1.38823 Ang V13.CG1 and R25.NH1 other bump:2.50532 Ang V13.C and R25.NH1 other bump:2.44299 Ang V13.CG1 and R25.CZ other bump:3.17248 Ang V13.CG1 and R25.NE other bump:2.53242 Ang L17.O and Y20.CD1 other bump:2.64998 Ang P18.CG and Y20.CD1 neighbor-bump: 2.06041 Ang L17.O and P18.CD neighbor-bump: 1.08712 Ang L17.C and P18.CD self-bump: 1.32993 Ang P18.N and P18.CD neighbor-bump: 2.61862 Ang L17.N and P18.CD neighbor-bump: 1.68396 Ang L17.CA and P18.CD neighbor-bump: 1.62504 Ang L17.O and P18.CG neighbor-bump: 1.69414 Ang L17.C and P18.CG self-bump: 2.14137 Ang P18.N and P18.CG neighbor-bump: 2.75738 Ang L17.CA and P18.CG neighbor-bump: 2.57053 Ang L17.C and P18.CB other bump:2.53353 Ang T6.O and V10.CG2 Number of specific fragments= 3 total=16 Number of alignments=6 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1eswA/T0172-1eswA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1eswA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1eswA/T0172-1eswA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1eswA in training set T0172 10 :NRGFTFEREEPL 1eswA 79 :ERGYVRLEDPGF Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 2.15368 Ang E11.CA and P12.CD self-bump: 2.20462 Ang P12.CA and P12.CD neighbor-bump: 0.746285 Ang E11.O and P12.CD neighbor-bump: 0.723834 Ang E11.C and P12.CD neighbor-bump: 1.8602 Ang E11.O and P12.CG neighbor-bump: 2.0767 Ang E11.C and P12.CG neighbor-bump: 2.71795 Ang F5.C and T6.OG1 T0172 28 :ESEVTAQKVLNELPEEELARIIFEYGEEKRFARRIARKIVENR 1eswA 91 :PQGRVDYGLLYAWKWPALKEAFRGFKEKASPEEREAFAAFRER Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:1.89182 Ang K30.CD and R34.NH2 other bump:2.55408 Ang Y26.CD1 and R34.NH2 other bump:0.914917 Ang K30.CE and R34.NH2 other bump:2.20965 Ang K30.NZ and R34.NH2 other bump:1.54291 Ang K30.CD and R34.NH1 other bump:2.29582 Ang K30.CE and R34.NH1 other bump:1.42692 Ang K30.CD and R34.CZ other bump:2.94858 Ang K30.CG and R34.CZ other bump:1.73282 Ang K30.CE and R34.CZ other bump:2.97001 Ang K30.NZ and R34.CZ other bump:2.32917 Ang K30.CD and R34.NE other bump:2.83166 Ang K30.CE and R34.NE other bump:3.13893 Ang R31.NE and R34.CD other bump:2.74749 Ang Y26.CA and K30.NZ other bump:2.68142 Ang Y26.CB and K30.NZ other bump:2.49171 Ang Y26.CD1 and K30.NZ other bump:2.98326 Ang Y26.CG and K30.CE other bump:1.87725 Ang Y26.CD1 and K30.CE other bump:2.62911 Ang Y26.CE1 and K30.CE other bump:2.18999 Ang Y26.CD1 and K30.CD other bump:2.37181 Ang Y26.CE1 and K30.CD other bump:2.57251 Ang Y26.CG and K30.CG other bump:2.00221 Ang Y26.CD1 and K30.CG other bump:2.2154 Ang Y26.CE1 and K30.CG other bump:3.01946 Ang R21.CZ and E25.OE2 other bump:2.06189 Ang L14.CD1 and E18.OE2 other bump:2.12254 Ang L14.CG and E18.OE2 other bump:2.37355 Ang L14.CD2 and E18.OE2 other bump:2.12967 Ang L14.O and E18.OE2 other bump:0.881421 Ang L14.O and E18.OE1 other bump:1.80087 Ang L14.C and E18.OE1 other bump:2.46291 Ang P15.CA and E18.OE1 other bump:2.92089 Ang L14.CG and E18.CD other bump:2.67534 Ang L14.CD2 and E18.CD other bump:1.64695 Ang L14.O and E18.CD other bump:2.61956 Ang L14.C and E18.CD other bump:1.96532 Ang E13.O and E17.OE1 other bump:2.83433 Ang E2.OE1 and A7.CB neighbor-bump: 2.9506 Ang E4.C and V5.CG1 T0172 71 :PLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAIRI 1eswA 136 :WWLEDYALFMALKGAHGGLPWNRWPLPLRKREEKALRE Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.90231 Ang K32.CA and I37.CD1 other bump:2.86555 Ang R14.N and R25.NH2 other bump:2.56735 Ang V13.C and R25.NH1 other bump:2.11893 Ang V13.CB and R25.NH1 other bump:1.3193 Ang V13.CG1 and R25.NH1 other bump:2.46813 Ang V13.CG1 and R25.CZ other bump:3.19129 Ang V13.CG1 and R25.NE other bump:3.32577 Ang V13.CG1 and R25.CD other bump:2.87111 Ang P18.CG and Y20.CE1 other bump:2.3632 Ang L17.O and Y20.CD1 neighbor-bump: 1.17356 Ang L17.C and P18.CD self-bump: 1.31757 Ang P18.N and P18.CD neighbor-bump: 2.56712 Ang L17.N and P18.CD neighbor-bump: 1.70658 Ang L17.CA and P18.CD neighbor-bump: 2.1822 Ang L17.O and P18.CD neighbor-bump: 1.71166 Ang L17.C and P18.CG self-bump: 2.11364 Ang P18.N and P18.CG neighbor-bump: 2.7252 Ang L17.CA and P18.CG neighbor-bump: 1.74701 Ang L17.O and P18.CG neighbor-bump: 2.5811 Ang L17.C and P18.CB Number of specific fragments= 3 total=19 Number of alignments=7 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1eswA/T0172-1eswA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1eswA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1eswA/T0172-1eswA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1eswA in training set T0172 10 :NRGFTFEREEPLD 1eswA 79 :ERGYVRLEDPGFP Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.15368 Ang E11.CA and P12.CD neighbor-bump: 0.746285 Ang E11.O and P12.CD neighbor-bump: 0.723834 Ang E11.C and P12.CD self-bump: 2.20462 Ang P12.CA and P12.CD neighbor-bump: 1.8602 Ang E11.O and P12.CG neighbor-bump: 2.0767 Ang E11.C and P12.CG neighbor-bump: 2.71795 Ang F5.C and T6.OG1 T0172 29 :SEVTAQKVLNELPEEELARIIFEYGEEKRFARRIARKIVENR 1eswA 92 :QGRVDYGLLYAWKWPALKEAFRGFKEKASPEEREAFAAFRER Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:1.89182 Ang K29.CD and R33.NH2 other bump:2.55408 Ang Y25.CD1 and R33.NH2 other bump:0.914917 Ang K29.CE and R33.NH2 other bump:2.20965 Ang K29.NZ and R33.NH2 other bump:1.54291 Ang K29.CD and R33.NH1 other bump:2.29582 Ang K29.CE and R33.NH1 other bump:1.42692 Ang K29.CD and R33.CZ other bump:2.94858 Ang K29.CG and R33.CZ other bump:1.73282 Ang K29.CE and R33.CZ other bump:2.97001 Ang K29.NZ and R33.CZ other bump:2.32917 Ang K29.CD and R33.NE other bump:2.83166 Ang K29.CE and R33.NE other bump:3.13893 Ang R30.NE and R33.CD other bump:2.74749 Ang Y25.CA and K29.NZ other bump:2.68142 Ang Y25.CB and K29.NZ other bump:2.49171 Ang Y25.CD1 and K29.NZ other bump:2.98326 Ang Y25.CG and K29.CE other bump:1.87725 Ang Y25.CD1 and K29.CE other bump:2.62911 Ang Y25.CE1 and K29.CE other bump:2.18999 Ang Y25.CD1 and K29.CD other bump:2.37181 Ang Y25.CE1 and K29.CD other bump:2.57251 Ang Y25.CG and K29.CG other bump:2.00221 Ang Y25.CD1 and K29.CG other bump:2.2154 Ang Y25.CE1 and K29.CG other bump:3.01946 Ang R20.CZ and E24.OE2 other bump:2.12254 Ang L13.CG and E17.OE2 other bump:2.06189 Ang L13.CD1 and E17.OE2 other bump:2.37355 Ang L13.CD2 and E17.OE2 other bump:2.12967 Ang L13.O and E17.OE2 other bump:0.881421 Ang L13.O and E17.OE1 other bump:1.80087 Ang L13.C and E17.OE1 other bump:2.46291 Ang P14.CA and E17.OE1 other bump:2.92089 Ang L13.CG and E17.CD other bump:2.67534 Ang L13.CD2 and E17.CD other bump:1.64695 Ang L13.O and E17.CD other bump:2.61956 Ang L13.C and E17.CD other bump:1.96532 Ang E12.O and E16.OE1 neighbor-bump: 2.9506 Ang E3.C and V4.CG1 T0172 71 :PLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAIR 1eswA 136 :WWLEDYALFMALKGAHGGLPWNRWPLPLRKREEKALR Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.90231 Ang K32.CA and I37.CD1 other bump:2.86555 Ang R14.N and R25.NH2 other bump:2.56735 Ang V13.C and R25.NH1 other bump:2.11893 Ang V13.CB and R25.NH1 other bump:1.3193 Ang V13.CG1 and R25.NH1 other bump:2.46813 Ang V13.CG1 and R25.CZ other bump:3.19129 Ang V13.CG1 and R25.NE other bump:3.32577 Ang V13.CG1 and R25.CD other bump:2.87111 Ang P18.CG and Y20.CE1 other bump:2.3632 Ang L17.O and Y20.CD1 neighbor-bump: 1.17356 Ang L17.C and P18.CD self-bump: 1.31757 Ang P18.N and P18.CD neighbor-bump: 2.56712 Ang L17.N and P18.CD neighbor-bump: 1.70658 Ang L17.CA and P18.CD neighbor-bump: 2.1822 Ang L17.O and P18.CD neighbor-bump: 1.71166 Ang L17.C and P18.CG self-bump: 2.11364 Ang P18.N and P18.CG neighbor-bump: 2.7252 Ang L17.CA and P18.CG neighbor-bump: 1.74701 Ang L17.O and P18.CG neighbor-bump: 2.5811 Ang L17.C and P18.CB Number of specific fragments= 3 total=22 Number of alignments=8 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1ecmA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1ecmA in template set T0172 33 :AQKVLNELPEEELARIIFEYGEEKRFARRIARK 1ecmA 6 :PLLALREKISALDEKLLALLAERRELAVEVGKA Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.84112 Ang R30.NE and R33.NH1 other bump:1.95751 Ang R30.CZ and R33.NH1 other bump:1.65887 Ang R30.NH1 and R33.NH1 other bump:2.5131 Ang R30.NH2 and R33.NH1 other bump:2.81207 Ang R30.CZ and R33.CZ other bump:2.02555 Ang R30.NH1 and R33.CZ other bump:3.22942 Ang R30.CZ and R33.NE other bump:2.04454 Ang R30.NH1 and R33.NE other bump:3.12456 Ang R30.CZ and R33.CD other bump:1.82256 Ang R30.NH1 and R33.CD other bump:2.79852 Ang E23.OE2 and F27.CZ other bump:2.76447 Ang I17.CG2 and Y21.OH other bump:2.58151 Ang I17.CG2 and Y21.CZ other bump:1.72696 Ang I17.CG2 and Y21.CE1 other bump:3.04044 Ang I17.CB and Y21.CE1 other bump:3.08109 Ang I17.C and Y21.CE1 other bump:2.83614 Ang I17.CG2 and Y21.CD1 other bump:2.16276 Ang I17.O and Y21.CD1 other bump:1.45224 Ang L6.O and P10.CD other bump:2.56477 Ang L6.C and P10.CD other bump:3.00065 Ang N7.CA and P10.CD other bump:2.81473 Ang N7.C and P10.CD other bump:2.45171 Ang L6.O and P10.CG other bump:3.28162 Ang L6.C and P10.CG T0172 66 :IVENRPLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAI 1ecmA 40 :LLSHRPVRDIDRERDLLERLITLGKAHHLDAHYITRLFQLI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.78513 Ang Y25.OH and F39.CZ other bump:2.02808 Ang Y25.OH and F39.CE1 other bump:2.63431 Ang Y25.OH and F39.CD1 other bump:3.01004 Ang Y25.CD2 and A35.CB other bump:2.84899 Ang Y25.CE2 and A35.CB other bump:3.01472 Ang L22.CD2 and R32.CA other bump:2.16035 Ang Y25.CD1 and R28.NH2 other bump:2.33617 Ang Y25.CE1 and R28.NH2 other bump:3.03917 Ang A21.CB and Y25.CE2 other bump:2.25071 Ang A21.O and Y25.CD2 other bump:2.75432 Ang A21.C and Y25.CD2 other bump:2.36347 Ang A21.O and Y25.CG other bump:1.5604 Ang R19.O and P23.CD other bump:2.72106 Ang R19.C and P23.CD other bump:3.00194 Ang E20.C and P23.CD other bump:2.19388 Ang R19.O and P23.CG other bump:2.96737 Ang V15.CG1 and R19.NH2 other bump:2.86529 Ang V15.CG1 and R19.CZ other bump:3.1262 Ang V15.CG1 and R19.NE Number of specific fragments= 2 total=24 Number of alignments=9 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1ecmA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1ecmA in template set T0172 6 :L 1ecmA 6 :P Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0172 30 :EVTAQKVLNELPEE 1ecmA 7 :LLALREKISALDEK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:1.43087 Ang L9.O and P13.CD neighbor-bump: 2.64665 Ang L12.N and P13.CD other bump:2.63686 Ang L9.C and P13.CD other bump:3.10985 Ang N10.C and P13.CD other bump:1.9863 Ang L9.O and P13.CG other bump:2.96805 Ang L9.C and P13.CG T0172 45 :LARII 1ecmA 21 :LLALL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0172 53 :GEEKRFARRIARK 1ecmA 26 :AERRELAVEVGKA Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.65887 Ang R10.NH1 and R13.NH1 other bump:2.84112 Ang R10.NE and R13.NH1 other bump:1.95751 Ang R10.CZ and R13.NH1 other bump:2.5131 Ang R10.NH2 and R13.NH1 other bump:2.02555 Ang R10.NH1 and R13.CZ other bump:2.81207 Ang R10.CZ and R13.CZ other bump:2.04454 Ang R10.NH1 and R13.NE other bump:3.22942 Ang R10.CZ and R13.NE other bump:1.82256 Ang R10.NH1 and R13.CD other bump:3.12456 Ang R10.CZ and R13.CD other bump:2.79852 Ang E3.OE2 and F7.CZ T0172 66 :IVENRPLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAI 1ecmA 40 :LLSHRPVRDIDRERDLLERLITLGKAHHLDAHYITRLFQLI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.78513 Ang Y25.OH and F39.CZ other bump:2.02808 Ang Y25.OH and F39.CE1 other bump:2.63431 Ang Y25.OH and F39.CD1 other bump:3.01004 Ang Y25.CD2 and A35.CB other bump:2.84899 Ang Y25.CE2 and A35.CB other bump:3.01472 Ang L22.CD2 and R32.CA other bump:2.16035 Ang Y25.CD1 and R28.NH2 other bump:2.33617 Ang Y25.CE1 and R28.NH2 other bump:3.03917 Ang A21.CB and Y25.CE2 other bump:2.25071 Ang A21.O and Y25.CD2 other bump:2.75432 Ang A21.C and Y25.CD2 other bump:2.36347 Ang A21.O and Y25.CG other bump:1.5604 Ang R19.O and P23.CD other bump:2.72106 Ang R19.C and P23.CD other bump:3.00194 Ang E20.C and P23.CD other bump:2.19388 Ang R19.O and P23.CG other bump:2.96737 Ang V15.CG1 and R19.NH2 other bump:2.86529 Ang V15.CG1 and R19.CZ other bump:3.1262 Ang V15.CG1 and R19.NE Number of specific fragments= 5 total=29 Number of alignments=10 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ao6A/T0172-1ao6A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1ao6A read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ao6A/T0172-1ao6A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # adding 1ao6A to template set 1ao6A:# found chain 1ao6A in template set T0172 44 :ELARIIFEYGEEK 1ao6A 6 :EVAHRFKDLGEEN Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.09692 Ang R5.NH1 and E9.OE2 other bump:2.62821 Ang R5.CZ and E9.OE2 other bump:2.19782 Ang R5.CG and E9.OE2 other bump:2.20118 Ang R5.NH1 and E9.OE1 other bump:2.44235 Ang R5.NH1 and E9.CD other bump:2.57916 Ang A4.O and F8.CD1 other bump:2.65553 Ang L3.O and I7.CD1 T0172 58 :FARRIARKIVENR 1ao6A 19 :FKALVLIAFAQYL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.3988 Ang N13.CA and N13.CB other bump:2.55197 Ang R4.CZ and R8.CD other bump:1.96643 Ang R4.NH1 and R8.CD other bump:2.49142 Ang R4.NH2 and R8.CD self-bump: 1.38101 Ang I6.CA and I6.CB T0172 71 :PLNTTLDLVKAVREA 1ao6A 35 :PFEDHVKLVNEVTEF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.84945 Ang V10.CG1 and R14.NH2 other bump:2.81423 Ang V10.CG1 and R14.CZ other bump:2.83597 Ang V10.CG1 and R14.NE Number of specific fragments= 3 total=32 Number of alignments=11 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ao6A/T0172-1ao6A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1ao6A read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ao6A/T0172-1ao6A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1ao6A in template set T0172 45 :LARIIFEYGEEK 1ao6A 7 :VAHRFKDLGEEN Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.62821 Ang R4.CZ and E8.OE2 other bump:2.09692 Ang R4.NH1 and E8.OE2 other bump:2.19782 Ang R4.CG and E8.OE2 other bump:2.20118 Ang R4.NH1 and E8.OE1 other bump:2.44235 Ang R4.NH1 and E8.CD other bump:2.57916 Ang A3.O and F7.CD1 other bump:2.65553 Ang L2.O and I6.CD1 T0172 58 :FARRIARKIVENR 1ao6A 19 :FKALVLIAFAQYL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.3988 Ang N13.CA and N13.CB other bump:2.55197 Ang R4.CZ and R8.CD other bump:1.96643 Ang R4.NH1 and R8.CD other bump:2.49142 Ang R4.NH2 and R8.CD self-bump: 1.38101 Ang I6.CA and I6.CB T0172 71 :PLNTTLDLVKAVREAL 1ao6A 35 :PFEDHVKLVNEVTEFA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.84945 Ang V10.CG1 and R14.NH2 other bump:2.81423 Ang V10.CG1 and R14.CZ other bump:2.83597 Ang V10.CG1 and R14.NE Number of specific fragments= 3 total=35 Number of alignments=12 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1hyeA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1hyeA in template set T0172 1 :V 1hyeA 1 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0172 16 :EREEPL 1hyeA 56 :RSDANI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0172 22 :DMRMDLES 1hyeA 68 :NLRIIDES Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.46784 Ang L7.CB and E8.N self-bump: 2.20897 Ang L7.CB and L7.C self-bump: 1.28196 Ang L7.CA and L7.CB other bump:3.10115 Ang M3.SD and D6.OD2 T0172 38 :NELPEEELARIIFE 1hyeA 88 :EGMSRMDLAKTNAK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.43668 Ang E8.CD and R11.NH2 other bump:1.75208 Ang E8.OE2 and R11.NH2 other bump:2.87115 Ang P5.CG and E8.CG neighbor-bump: 2.183 Ang E3.O and L4.CD2 neighbor-bump: 2.52027 Ang E3.O and L4.CG neighbor-bump: 2.84322 Ang E3.C and L4.CG T0172 58 :FARRIARKIVENR 1hyeA 102 :IVGKYAKKIAEIC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0172 97 :HFATKTFQAIRIYVNRELENL 1hyeA 231 :GPAAAILNVVRCIVNNEKRLL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.66614 Ang I13.CD1 and L22.CD1 other bump:2.88397 Ang I13.CD1 and E20.OE2 other bump:2.44847 Ang E18.OE2 and E20.OE1 other bump:1.95906 Ang F8.CE1 and R12.NH2 other bump:2.29954 Ang F8.CZ and R12.NH2 other bump:2.58977 Ang F8.CE1 and R12.NH1 other bump:2.77216 Ang F8.CD1 and R12.CZ other bump:1.81281 Ang F8.CE1 and R12.CZ other bump:2.79496 Ang F8.CZ and R12.CZ other bump:2.86717 Ang F8.CD1 and R12.NE other bump:2.13262 Ang F8.CE1 and R12.NE other bump:2.98381 Ang F8.CZ and R12.NE other bump:2.82477 Ang F8.CZ and R12.CD Number of specific fragments= 6 total=41 Number of alignments=13 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1hyeA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1hyeA in template set T0172 1 :VSTYQLKGENR 1hyeA 1 :MKVTIIGASGR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.34192 Ang L6.O and K7.CG T0172 58 :FARRIARKIVENR 1hyeA 12 :VGSATALLLAKEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0172 71 :PLNTTLDLVKAVREALPSYE 1hyeA 37 :SINKLEGLREDIYDALAGTR Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 2.18424 Ang P18.O and S19.CB neighbor-bump: 2.59036 Ang P18.C and S19.CB other bump:2.91081 Ang A16.C and P18.CD neighbor-bump: 2.44318 Ang L17.N and P18.CD other bump:1.91065 Ang E15.O and P18.CD other bump:3.01996 Ang E15.CA and P18.CD other bump:2.27985 Ang E15.C and P18.CD other bump:2.22537 Ang R14.O and P18.CD other bump:3.08439 Ang R14.C and P18.CD other bump:2.40528 Ang E15.O and P18.CG other bump:2.86615 Ang E15.CA and P18.CG other bump:2.80027 Ang E15.C and P18.CG other bump:2.23109 Ang R14.O and P18.CG other bump:3.17527 Ang R14.C and P18.CG neighbor-bump: 1.92882 Ang G1.C and P2.CD self-bump: 1.30058 Ang P2.N and P2.CD self-bump: 2.1678 Ang P2.N and P2.CG T0172 97 :HFATKTFQAIRIYVNRELENL 1hyeA 231 :GPAAAILNVVRCIVNNEKRLL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.66614 Ang I13.CD1 and L22.CD1 other bump:2.88397 Ang I13.CD1 and E20.OE2 other bump:2.44847 Ang E18.OE2 and E20.OE1 other bump:1.95906 Ang F8.CE1 and R12.NH2 other bump:2.29954 Ang F8.CZ and R12.NH2 other bump:2.58977 Ang F8.CE1 and R12.NH1 other bump:2.77216 Ang F8.CD1 and R12.CZ other bump:1.81281 Ang F8.CE1 and R12.CZ other bump:2.79496 Ang F8.CZ and R12.CZ other bump:2.86717 Ang F8.CD1 and R12.NE other bump:2.13262 Ang F8.CE1 and R12.NE other bump:2.98381 Ang F8.CZ and R12.NE other bump:2.82477 Ang F8.CZ and R12.CD Number of specific fragments= 4 total=45 Number of alignments=14 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/T0172-1cwyA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1cwyA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/T0172-1cwyA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1cwyA in template set T0172 1 :VSTYQ 1cwyA 1 :MELPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0172 7 :KGENRGFTFEREEP 1cwyA 56 :DSPYQSFSAFAGNP Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.4852 Ang T9.CG2 and R12.NE other bump:2.63252 Ang T9.CG2 and R12.CD other bump:2.73887 Ang T9.OG1 and R12.CD other bump:2.3795 Ang T9.OG1 and R12.CG other bump:2.47082 Ang T9.OG1 and R12.CB neighbor-bump: 2.48749 Ang F8.O and T9.CG2 neighbor-bump: 2.88212 Ang F8.C and T9.CG2 T0172 21 :LDMR 1cwyA 72 :IDLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0172 26 :DLESEVTAQKVLNELPEEELARIIFEYGEEKRFARRIARKIVENR 1cwyA 89 :GFPQGRVDYGLLYAWKWPALKEAFRGFKEKASPEEREAFAAFRER Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.54165 Ang F34.O and I38.CD1 other bump:2.41567 Ang Y28.OH and R36.C other bump:2.30463 Ang Y28.CD1 and R36.NH2 other bump:2.602 Ang Y28.CE1 and R36.NH2 other bump:1.95411 Ang K32.CD and R36.NH2 other bump:0.992275 Ang K32.CE and R36.NH2 other bump:2.32629 Ang K32.NZ and R36.NH2 other bump:1.4544 Ang K32.CD and R36.NH1 other bump:2.16269 Ang K32.CE and R36.NH1 other bump:2.86309 Ang K32.NZ and R36.NH1 other bump:2.76872 Ang Y28.CD1 and R36.CZ other bump:2.6227 Ang Y28.CE1 and R36.CZ other bump:2.98594 Ang K32.CG and R36.CZ other bump:1.46867 Ang K32.CD and R36.CZ other bump:1.72077 Ang K32.CE and R36.CZ other bump:2.98903 Ang K32.NZ and R36.CZ other bump:2.41193 Ang K32.CD and R36.NE other bump:2.88884 Ang K32.CE and R36.NE other bump:2.58482 Ang Y28.OH and R36.CB other bump:2.79572 Ang Y28.CA and K32.NZ other bump:2.7606 Ang Y28.CB and K32.NZ other bump:2.46751 Ang Y28.CD1 and K32.NZ other bump:2.82889 Ang Y28.CG and K32.CE other bump:1.68552 Ang Y28.CD1 and K32.CE other bump:2.42916 Ang Y28.CE1 and K32.CE other bump:3.01753 Ang Y28.CG and K32.CD other bump:1.83546 Ang Y28.CD1 and K32.CD other bump:1.93849 Ang Y28.CE1 and K32.CD other bump:3.22441 Ang Y28.CA and K32.CG other bump:2.26891 Ang Y28.CG and K32.CG other bump:1.76309 Ang Y28.CD1 and K32.CG other bump:2.05466 Ang Y28.CE1 and K32.CG other bump:2.84631 Ang Y28.CD2 and K32.CG other bump:3.23174 Ang Y28.C and K32.CG other bump:2.96734 Ang Y28.CE1 and K32.CB other bump:2.16011 Ang E15.O and E19.OE1 other bump:2.74668 Ang E4.OE1 and V7.CG1 T0172 71 :PLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAIRIYVNRELE 1cwyA 136 :WWLEDYALFMALKGAHGGLPWNRWPLPLRKREEKALREAKSALAE Fragment has 51 clashes (null) has 51 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.63925 Ang N42.CA and L45.CD1 other bump:2.00734 Ang V41.O and L45.CD1 other bump:2.79962 Ang V41.C and L45.CD1 other bump:1.24674 Ang F29.CE1 and Y40.OH other bump:2.08951 Ang F29.CE2 and Y40.OH other bump:1.30048 Ang F29.CZ and Y40.OH other bump:2.60548 Ang F29.CD2 and Y40.OH other bump:2.57744 Ang F29.CG and Y40.OH other bump:1.97775 Ang F29.CD1 and Y40.OH other bump:1.40139 Ang F29.CE1 and Y40.CZ other bump:1.14338 Ang F29.CE2 and Y40.CZ other bump:0.403287 Ang F29.CZ and Y40.CZ other bump:2.06171 Ang F29.CD2 and Y40.CZ other bump:2.45907 Ang F29.CG and Y40.CZ other bump:2.18141 Ang F29.CD1 and Y40.CZ other bump:2.27403 Ang F29.CE1 and Y40.CE2 other bump:1.0515 Ang F29.CE2 and Y40.CE2 other bump:1.78021 Ang F29.CZ and Y40.CE2 other bump:0.981973 Ang F29.CD2 and Y40.CE2 other bump:1.72659 Ang F29.CG and Y40.CE2 other bump:2.22768 Ang F29.CD1 and Y40.CE2 other bump:3.05033 Ang F29.CB and Y40.CE2 other bump:2.19359 Ang F29.CE1 and Y40.CE1 other bump:2.054 Ang F29.CE2 and Y40.CE1 other bump:1.17725 Ang F29.CZ and Y40.CE1 other bump:1.95082 Ang F29.CE2 and Y40.CD2 other bump:2.72701 Ang F29.CZ and Y40.CD2 other bump:2.00258 Ang F29.CD2 and Y40.CD2 other bump:2.80052 Ang F29.CG and Y40.CD2 other bump:2.62321 Ang F29.CE2 and Y40.CD1 other bump:2.36141 Ang F29.CZ and Y40.CD1 other bump:2.58201 Ang F29.CE2 and Y40.CG other bump:2.81024 Ang R14.N and R25.NH2 other bump:2.50532 Ang V13.C and R25.NH1 other bump:2.25652 Ang V13.CB and R25.NH1 other bump:1.38823 Ang V13.CG1 and R25.NH1 other bump:2.44299 Ang V13.CG1 and R25.CZ other bump:3.17248 Ang V13.CG1 and R25.NE other bump:2.53242 Ang L17.O and Y20.CD1 other bump:2.64998 Ang P18.CG and Y20.CD1 neighbor-bump: 2.61862 Ang L17.N and P18.CD neighbor-bump: 1.68396 Ang L17.CA and P18.CD neighbor-bump: 2.06041 Ang L17.O and P18.CD neighbor-bump: 1.08712 Ang L17.C and P18.CD self-bump: 1.32993 Ang P18.N and P18.CD neighbor-bump: 2.75738 Ang L17.CA and P18.CG neighbor-bump: 1.62504 Ang L17.O and P18.CG neighbor-bump: 1.69414 Ang L17.C and P18.CG self-bump: 2.14137 Ang P18.N and P18.CG neighbor-bump: 2.57053 Ang L17.C and P18.CB other bump:2.53353 Ang T6.O and V10.CG2 Number of specific fragments= 5 total=50 Number of alignments=15 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/T0172-1cwyA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1cwyA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/T0172-1cwyA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1cwyA in template set T0172 1 :VSTYQL 1cwyA 1 :MELPRA Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.90788 Ang Y4.CG and L6.CD2 other bump:1.53144 Ang Y4.CD2 and L6.CD2 other bump:1.67875 Ang Y4.CE2 and L6.CD2 other bump:2.45396 Ang Y4.OH and L6.CD1 other bump:2.17416 Ang Y4.CG and L6.CD1 other bump:2.24681 Ang Y4.CD1 and L6.CD1 other bump:1.65292 Ang Y4.CD2 and L6.CD1 other bump:1.89437 Ang Y4.CE1 and L6.CD1 other bump:1.14413 Ang Y4.CE2 and L6.CD1 other bump:1.31546 Ang Y4.CZ and L6.CD1 other bump:2.58754 Ang Y4.CG and L6.CG other bump:1.45151 Ang Y4.CD2 and L6.CG other bump:1.48112 Ang Y4.CE2 and L6.CG other bump:2.96507 Ang Y4.CD2 and L6.CB other bump:2.50306 Ang Y4.CE2 and L6.CB T0172 7 :KGENRGFTFEREEP 1cwyA 56 :DSPYQSFSAFAGNP Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.4852 Ang T9.CG2 and R12.NE other bump:2.63252 Ang T9.CG2 and R12.CD other bump:2.73887 Ang T9.OG1 and R12.CD other bump:2.3795 Ang T9.OG1 and R12.CG other bump:2.47082 Ang T9.OG1 and R12.CB neighbor-bump: 2.48749 Ang F8.O and T9.CG2 neighbor-bump: 2.88212 Ang F8.C and T9.CG2 T0172 21 :LDMR 1cwyA 72 :IDLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0172 25 :MDLESEVTAQKVLNELPEEELARIIFEYGEEKRFARRIARKIVENR 1cwyA 88 :PGFPQGRVDYGLLYAWKWPALKEAFRGFKEKASPEEREAFAAFRER Fragment has 40 clashes (null) has 40 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.54165 Ang F35.O and I39.CD1 other bump:2.41567 Ang Y29.OH and R37.C other bump:2.30463 Ang Y29.CD1 and R37.NH2 other bump:2.602 Ang Y29.CE1 and R37.NH2 other bump:1.95411 Ang K33.CD and R37.NH2 other bump:0.992275 Ang K33.CE and R37.NH2 other bump:2.32629 Ang K33.NZ and R37.NH2 other bump:1.4544 Ang K33.CD and R37.NH1 other bump:2.16269 Ang K33.CE and R37.NH1 other bump:2.86309 Ang K33.NZ and R37.NH1 other bump:2.76872 Ang Y29.CD1 and R37.CZ other bump:2.6227 Ang Y29.CE1 and R37.CZ other bump:2.98594 Ang K33.CG and R37.CZ other bump:1.46867 Ang K33.CD and R37.CZ other bump:1.72077 Ang K33.CE and R37.CZ other bump:2.98903 Ang K33.NZ and R37.CZ other bump:2.41193 Ang K33.CD and R37.NE other bump:2.88884 Ang K33.CE and R37.NE other bump:2.58482 Ang Y29.OH and R37.CB other bump:2.79572 Ang Y29.CA and K33.NZ other bump:2.7606 Ang Y29.CB and K33.NZ other bump:2.46751 Ang Y29.CD1 and K33.NZ other bump:2.82889 Ang Y29.CG and K33.CE other bump:1.68552 Ang Y29.CD1 and K33.CE other bump:2.42916 Ang Y29.CE1 and K33.CE other bump:3.01753 Ang Y29.CG and K33.CD other bump:1.83546 Ang Y29.CD1 and K33.CD other bump:1.93849 Ang Y29.CE1 and K33.CD other bump:3.22441 Ang Y29.CA and K33.CG other bump:2.26891 Ang Y29.CG and K33.CG other bump:1.76309 Ang Y29.CD1 and K33.CG other bump:2.05466 Ang Y29.CE1 and K33.CG other bump:2.84631 Ang Y29.CD2 and K33.CG other bump:3.23174 Ang Y29.C and K33.CG other bump:2.96734 Ang Y29.CE1 and K33.CB other bump:2.16011 Ang E16.O and E20.OE1 other bump:2.74668 Ang E5.OE1 and V8.CG1 neighbor-bump: 2.23231 Ang M2.O and D3.CG neighbor-bump: 1.97164 Ang M2.O and D3.CB neighbor-bump: 2.45105 Ang M2.C and D3.CB T0172 71 :PLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAIRIYVNRELENL 1cwyA 136 :WWLEDYALFMALKGAHGGLPWNRWPLPLRKREEKALREAKSALAEEV Fragment has 54 clashes (null) has 54 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.52928 Ang D8.CB and L48.CD1 other bump:2.68757 Ang D8.C and L48.CD1 other bump:2.63588 Ang L9.N and L48.CD1 other bump:2.63925 Ang N42.CA and L45.CD1 other bump:2.00734 Ang V41.O and L45.CD1 other bump:2.79962 Ang V41.C and L45.CD1 other bump:1.24674 Ang F29.CE1 and Y40.OH other bump:2.08951 Ang F29.CE2 and Y40.OH other bump:1.30048 Ang F29.CZ and Y40.OH other bump:2.60548 Ang F29.CD2 and Y40.OH other bump:2.57744 Ang F29.CG and Y40.OH other bump:1.97775 Ang F29.CD1 and Y40.OH other bump:1.40139 Ang F29.CE1 and Y40.CZ other bump:1.14338 Ang F29.CE2 and Y40.CZ other bump:0.403287 Ang F29.CZ and Y40.CZ other bump:2.06171 Ang F29.CD2 and Y40.CZ other bump:2.45907 Ang F29.CG and Y40.CZ other bump:2.18141 Ang F29.CD1 and Y40.CZ other bump:2.27403 Ang F29.CE1 and Y40.CE2 other bump:1.0515 Ang F29.CE2 and Y40.CE2 other bump:1.78021 Ang F29.CZ and Y40.CE2 other bump:0.981973 Ang F29.CD2 and Y40.CE2 other bump:1.72659 Ang F29.CG and Y40.CE2 other bump:2.22768 Ang F29.CD1 and Y40.CE2 other bump:3.05033 Ang F29.CB and Y40.CE2 other bump:2.19359 Ang F29.CE1 and Y40.CE1 other bump:2.054 Ang F29.CE2 and Y40.CE1 other bump:1.17725 Ang F29.CZ and Y40.CE1 other bump:1.95082 Ang F29.CE2 and Y40.CD2 other bump:2.72701 Ang F29.CZ and Y40.CD2 other bump:2.00258 Ang F29.CD2 and Y40.CD2 other bump:2.80052 Ang F29.CG and Y40.CD2 other bump:2.62321 Ang F29.CE2 and Y40.CD1 other bump:2.36141 Ang F29.CZ and Y40.CD1 other bump:2.58201 Ang F29.CE2 and Y40.CG other bump:2.81024 Ang R14.N and R25.NH2 other bump:2.50532 Ang V13.C and R25.NH1 other bump:2.25652 Ang V13.CB and R25.NH1 other bump:1.38823 Ang V13.CG1 and R25.NH1 other bump:2.44299 Ang V13.CG1 and R25.CZ other bump:3.17248 Ang V13.CG1 and R25.NE other bump:2.53242 Ang L17.O and Y20.CD1 other bump:2.64998 Ang P18.CG and Y20.CD1 neighbor-bump: 2.61862 Ang L17.N and P18.CD neighbor-bump: 1.68396 Ang L17.CA and P18.CD neighbor-bump: 2.06041 Ang L17.O and P18.CD neighbor-bump: 1.08712 Ang L17.C and P18.CD self-bump: 1.32993 Ang P18.N and P18.CD neighbor-bump: 2.75738 Ang L17.CA and P18.CG neighbor-bump: 1.62504 Ang L17.O and P18.CG neighbor-bump: 1.69414 Ang L17.C and P18.CG self-bump: 2.14137 Ang P18.N and P18.CG neighbor-bump: 2.57053 Ang L17.C and P18.CB other bump:2.53353 Ang T6.O and V10.CG2 Number of specific fragments= 5 total=55 Number of alignments=16 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1eswA/T0172-1eswA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1eswA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1eswA/T0172-1eswA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1eswA in training set T0172 1 :VSTYQL 1eswA 1 :MELPRA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:3.01158 Ang Y4.CG and L6.CD2 other bump:1.74749 Ang Y4.CD2 and L6.CD2 other bump:1.50934 Ang Y4.CE2 and L6.CD2 other bump:2.72064 Ang Y4.CZ and L6.CD2 other bump:2.87963 Ang Y4.CD2 and L6.CD1 other bump:2.82196 Ang Y4.CE1 and L6.CD1 other bump:2.56283 Ang Y4.CE2 and L6.CD1 other bump:2.53279 Ang Y4.CZ and L6.CD1 other bump:2.49373 Ang Y4.CD2 and L6.CG other bump:2.46406 Ang Y4.CE2 and L6.CG T0172 7 :KGENRGFTFEREEP 1eswA 56 :DSPYQSFSAFAGNP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.68123 Ang T9.CG2 and R12.NE other bump:2.76029 Ang T9.CG2 and R12.CD other bump:2.86347 Ang T9.OG1 and R12.CD other bump:2.51222 Ang T9.OG1 and R12.CB neighbor-bump: 2.43456 Ang F8.O and T9.CG2 neighbor-bump: 2.86615 Ang F8.C and T9.CG2 T0172 21 :LDMR 1eswA 72 :IDLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0172 25 :MDLESEVTAQKVLNELPEEELARIIFEYGEEKRFARRIARKIVENR 1eswA 88 :PGFPQGRVDYGLLYAWKWPALKEAFRGFKEKASPEEREAFAAFRER Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:1.89182 Ang K33.CD and R37.NH2 other bump:2.55408 Ang Y29.CD1 and R37.NH2 other bump:0.914917 Ang K33.CE and R37.NH2 other bump:2.20965 Ang K33.NZ and R37.NH2 other bump:1.54291 Ang K33.CD and R37.NH1 other bump:2.29582 Ang K33.CE and R37.NH1 other bump:1.42692 Ang K33.CD and R37.CZ other bump:2.94858 Ang K33.CG and R37.CZ other bump:1.73282 Ang K33.CE and R37.CZ other bump:2.97001 Ang K33.NZ and R37.CZ other bump:2.32917 Ang K33.CD and R37.NE other bump:2.83166 Ang K33.CE and R37.NE other bump:3.13893 Ang R34.NE and R37.CD other bump:2.74749 Ang Y29.CA and K33.NZ other bump:2.68142 Ang Y29.CB and K33.NZ other bump:2.49171 Ang Y29.CD1 and K33.NZ other bump:2.98326 Ang Y29.CG and K33.CE other bump:1.87725 Ang Y29.CD1 and K33.CE other bump:2.62911 Ang Y29.CE1 and K33.CE other bump:2.18999 Ang Y29.CD1 and K33.CD other bump:2.37181 Ang Y29.CE1 and K33.CD other bump:2.57251 Ang Y29.CG and K33.CG other bump:2.00221 Ang Y29.CD1 and K33.CG other bump:2.2154 Ang Y29.CE1 and K33.CG other bump:3.01946 Ang R24.CZ and E28.OE2 other bump:2.06189 Ang L17.CD1 and E21.OE2 other bump:2.12254 Ang L17.CG and E21.OE2 other bump:2.37355 Ang L17.CD2 and E21.OE2 other bump:2.12967 Ang L17.O and E21.OE2 other bump:0.881421 Ang L17.O and E21.OE1 other bump:1.80087 Ang L17.C and E21.OE1 other bump:2.46291 Ang P18.CA and E21.OE1 other bump:2.92089 Ang L17.CG and E21.CD other bump:2.67534 Ang L17.CD2 and E21.CD other bump:1.64695 Ang L17.O and E21.CD other bump:2.61956 Ang L17.C and E21.CD other bump:1.96532 Ang E16.O and E20.OE1 other bump:2.64683 Ang M2.SD and L17.CD1 neighbor-bump: 2.9506 Ang E7.C and V8.CG1 neighbor-bump: 2.40673 Ang M2.O and D3.CG neighbor-bump: 2.07407 Ang M2.O and D3.CB neighbor-bump: 2.54423 Ang M2.C and D3.CB T0172 71 :PLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAIRIYVNRELENL 1eswA 136 :WWLEDYALFMALKGAHGGLPWNRWPLPLRKREEKALREAKSALAEEV Fragment has 55 clashes (null) has 55 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.86819 Ang D8.C and L48.CD2 other bump:2.79807 Ang L9.N and L48.CD2 other bump:2.51826 Ang L9.CA and L48.CD2 other bump:2.0253 Ang V41.O and L45.CD1 other bump:2.6515 Ang N42.CA and L45.CD1 other bump:2.93098 Ang L9.CD2 and V41.CG2 other bump:1.94536 Ang F29.CD1 and Y40.OH other bump:1.26505 Ang F29.CE1 and Y40.OH other bump:1.39432 Ang F29.CZ and Y40.OH other bump:2.55739 Ang F29.CG and Y40.OH other bump:2.62514 Ang F29.CD2 and Y40.OH other bump:2.15749 Ang F29.CE2 and Y40.OH other bump:2.11025 Ang F29.CD1 and Y40.CZ other bump:1.34625 Ang F29.CE1 and Y40.CZ other bump:0.429252 Ang F29.CZ and Y40.CZ other bump:2.39849 Ang F29.CG and Y40.CZ other bump:2.03194 Ang F29.CD2 and Y40.CZ other bump:1.162 Ang F29.CE2 and Y40.CZ other bump:2.19181 Ang F29.CD1 and Y40.CE2 other bump:2.26396 Ang F29.CE1 and Y40.CE2 other bump:1.78478 Ang F29.CZ and Y40.CE2 other bump:2.99673 Ang F29.CB and Y40.CE2 other bump:1.66381 Ang F29.CG and Y40.CE2 other bump:0.902018 Ang F29.CD2 and Y40.CE2 other bump:1.03596 Ang F29.CE2 and Y40.CE2 other bump:2.08957 Ang F29.CE1 and Y40.CE1 other bump:1.09054 Ang F29.CZ and Y40.CE1 other bump:2.0238 Ang F29.CE2 and Y40.CE1 other bump:2.68841 Ang F29.CZ and Y40.CD2 other bump:2.72771 Ang F29.CG and Y40.CD2 other bump:1.90596 Ang F29.CD2 and Y40.CD2 other bump:1.87811 Ang F29.CE2 and Y40.CD2 other bump:2.27077 Ang F29.CZ and Y40.CD1 other bump:2.55174 Ang F29.CE2 and Y40.CD1 other bump:2.49424 Ang F29.CE2 and Y40.CG other bump:2.90231 Ang K32.CA and I37.CD1 other bump:2.86555 Ang R14.N and R25.NH2 other bump:2.56735 Ang V13.C and R25.NH1 other bump:2.11893 Ang V13.CB and R25.NH1 other bump:1.3193 Ang V13.CG1 and R25.NH1 other bump:2.46813 Ang V13.CG1 and R25.CZ other bump:3.19129 Ang V13.CG1 and R25.NE other bump:3.32577 Ang V13.CG1 and R25.CD other bump:2.87111 Ang P18.CG and Y20.CE1 other bump:2.3632 Ang L17.O and Y20.CD1 neighbor-bump: 1.17356 Ang L17.C and P18.CD self-bump: 1.31757 Ang P18.N and P18.CD neighbor-bump: 2.56712 Ang L17.N and P18.CD neighbor-bump: 1.70658 Ang L17.CA and P18.CD neighbor-bump: 2.1822 Ang L17.O and P18.CD neighbor-bump: 1.71166 Ang L17.C and P18.CG self-bump: 2.11364 Ang P18.N and P18.CG neighbor-bump: 2.7252 Ang L17.CA and P18.CG neighbor-bump: 1.74701 Ang L17.O and P18.CG neighbor-bump: 2.5811 Ang L17.C and P18.CB Number of specific fragments= 5 total=60 Number of alignments=17 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1eswA/T0172-1eswA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1eswA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1eswA/T0172-1eswA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1eswA in training set T0172 1 :VSTYQ 1eswA 1 :MELPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0172 7 :KGENRGFTFEREEP 1eswA 56 :DSPYQSFSAFAGNP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.68123 Ang T9.CG2 and R12.NE other bump:2.76029 Ang T9.CG2 and R12.CD other bump:2.86347 Ang T9.OG1 and R12.CD other bump:2.51222 Ang T9.OG1 and R12.CB neighbor-bump: 2.43456 Ang F8.O and T9.CG2 neighbor-bump: 2.86615 Ang F8.C and T9.CG2 T0172 21 :LDMR 1eswA 72 :IDLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0172 26 :DLESEVTAQKVLNELPEEELARIIFEYGEEKRFARRIARKIVENR 1eswA 89 :GFPQGRVDYGLLYAWKWPALKEAFRGFKEKASPEEREAFAAFRER Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:1.89182 Ang K32.CD and R36.NH2 other bump:2.55408 Ang Y28.CD1 and R36.NH2 other bump:0.914917 Ang K32.CE and R36.NH2 other bump:2.20965 Ang K32.NZ and R36.NH2 other bump:1.54291 Ang K32.CD and R36.NH1 other bump:2.29582 Ang K32.CE and R36.NH1 other bump:1.42692 Ang K32.CD and R36.CZ other bump:2.94858 Ang K32.CG and R36.CZ other bump:1.73282 Ang K32.CE and R36.CZ other bump:2.97001 Ang K32.NZ and R36.CZ other bump:2.32917 Ang K32.CD and R36.NE other bump:2.83166 Ang K32.CE and R36.NE other bump:3.13893 Ang R33.NE and R36.CD other bump:2.74749 Ang Y28.CA and K32.NZ other bump:2.68142 Ang Y28.CB and K32.NZ other bump:2.49171 Ang Y28.CD1 and K32.NZ other bump:2.98326 Ang Y28.CG and K32.CE other bump:1.87725 Ang Y28.CD1 and K32.CE other bump:2.62911 Ang Y28.CE1 and K32.CE other bump:2.18999 Ang Y28.CD1 and K32.CD other bump:2.37181 Ang Y28.CE1 and K32.CD other bump:2.57251 Ang Y28.CG and K32.CG other bump:2.00221 Ang Y28.CD1 and K32.CG other bump:2.2154 Ang Y28.CE1 and K32.CG other bump:3.01946 Ang R23.CZ and E27.OE2 other bump:2.06189 Ang L16.CD1 and E20.OE2 other bump:2.12254 Ang L16.CG and E20.OE2 other bump:2.37355 Ang L16.CD2 and E20.OE2 other bump:2.12967 Ang L16.O and E20.OE2 other bump:0.881421 Ang L16.O and E20.OE1 other bump:1.80087 Ang L16.C and E20.OE1 other bump:2.46291 Ang P17.CA and E20.OE1 other bump:2.92089 Ang L16.CG and E20.CD other bump:2.67534 Ang L16.CD2 and E20.CD other bump:1.64695 Ang L16.O and E20.CD other bump:2.61956 Ang L16.C and E20.CD other bump:1.96532 Ang E15.O and E19.OE1 neighbor-bump: 2.9506 Ang E6.C and V7.CG1 neighbor-bump: 2.40673 Ang G1.O and D2.CG neighbor-bump: 2.07407 Ang G1.O and D2.CB neighbor-bump: 2.54423 Ang G1.C and D2.CB T0172 71 :PLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAIRIYVNRELE 1eswA 136 :WWLEDYALFMALKGAHGGLPWNRWPLPLRKREEKALREAKSALAE Fragment has 52 clashes (null) has 52 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.0253 Ang V41.O and L45.CD1 other bump:2.6515 Ang N42.CA and L45.CD1 other bump:2.93098 Ang L9.CD2 and V41.CG2 other bump:1.94536 Ang F29.CD1 and Y40.OH other bump:1.26505 Ang F29.CE1 and Y40.OH other bump:1.39432 Ang F29.CZ and Y40.OH other bump:2.55739 Ang F29.CG and Y40.OH other bump:2.62514 Ang F29.CD2 and Y40.OH other bump:2.15749 Ang F29.CE2 and Y40.OH other bump:2.11025 Ang F29.CD1 and Y40.CZ other bump:1.34625 Ang F29.CE1 and Y40.CZ other bump:0.429252 Ang F29.CZ and Y40.CZ other bump:2.39849 Ang F29.CG and Y40.CZ other bump:2.03194 Ang F29.CD2 and Y40.CZ other bump:1.162 Ang F29.CE2 and Y40.CZ other bump:2.19181 Ang F29.CD1 and Y40.CE2 other bump:2.26396 Ang F29.CE1 and Y40.CE2 other bump:1.78478 Ang F29.CZ and Y40.CE2 other bump:2.99673 Ang F29.CB and Y40.CE2 other bump:1.66381 Ang F29.CG and Y40.CE2 other bump:0.902018 Ang F29.CD2 and Y40.CE2 other bump:1.03596 Ang F29.CE2 and Y40.CE2 other bump:2.08957 Ang F29.CE1 and Y40.CE1 other bump:1.09054 Ang F29.CZ and Y40.CE1 other bump:2.0238 Ang F29.CE2 and Y40.CE1 other bump:2.68841 Ang F29.CZ and Y40.CD2 other bump:2.72771 Ang F29.CG and Y40.CD2 other bump:1.90596 Ang F29.CD2 and Y40.CD2 other bump:1.87811 Ang F29.CE2 and Y40.CD2 other bump:2.27077 Ang F29.CZ and Y40.CD1 other bump:2.55174 Ang F29.CE2 and Y40.CD1 other bump:2.49424 Ang F29.CE2 and Y40.CG other bump:2.90231 Ang K32.CA and I37.CD1 other bump:2.86555 Ang R14.N and R25.NH2 other bump:2.56735 Ang V13.C and R25.NH1 other bump:2.11893 Ang V13.CB and R25.NH1 other bump:1.3193 Ang V13.CG1 and R25.NH1 other bump:2.46813 Ang V13.CG1 and R25.CZ other bump:3.19129 Ang V13.CG1 and R25.NE other bump:3.32577 Ang V13.CG1 and R25.CD other bump:2.87111 Ang P18.CG and Y20.CE1 other bump:2.3632 Ang L17.O and Y20.CD1 neighbor-bump: 1.17356 Ang L17.C and P18.CD self-bump: 1.31757 Ang P18.N and P18.CD neighbor-bump: 2.56712 Ang L17.N and P18.CD neighbor-bump: 1.70658 Ang L17.CA and P18.CD neighbor-bump: 2.1822 Ang L17.O and P18.CD neighbor-bump: 1.71166 Ang L17.C and P18.CG self-bump: 2.11364 Ang P18.N and P18.CG neighbor-bump: 2.7252 Ang L17.CA and P18.CG neighbor-bump: 1.74701 Ang L17.O and P18.CG neighbor-bump: 2.5811 Ang L17.C and P18.CB Number of specific fragments= 5 total=65 Number of alignments=18 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ao6A/T0172-1ao6A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1ao6A read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ao6A/T0172-1ao6A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1ao6A in template set T0172 44 :ELARIIFEYGEEK 1ao6A 6 :EVAHRFKDLGEEN Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.09692 Ang R5.NH1 and E9.OE2 other bump:2.62821 Ang R5.CZ and E9.OE2 other bump:2.19782 Ang R5.CG and E9.OE2 other bump:2.20118 Ang R5.NH1 and E9.OE1 other bump:2.44235 Ang R5.NH1 and E9.CD other bump:2.57916 Ang A4.O and F8.CD1 other bump:2.65553 Ang L3.O and I7.CD1 T0172 58 :FARRIARKIVENR 1ao6A 19 :FKALVLIAFAQYL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.3988 Ang N13.CA and N13.CB other bump:2.55197 Ang R4.CZ and R8.CD other bump:1.96643 Ang R4.NH1 and R8.CD other bump:2.49142 Ang R4.NH2 and R8.CD self-bump: 1.38101 Ang I6.CA and I6.CB T0172 71 :PLNTTLDLVKAVREALPSYE 1ao6A 35 :PFEDHVKLVNEVTEFAKTCV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.84945 Ang V10.CG1 and R14.NH2 other bump:2.81423 Ang V10.CG1 and R14.CZ other bump:2.83597 Ang V10.CG1 and R14.NE T0172 91 :IRRRKRHFATKTFQAIRIYVNRELEN 1ao6A 144 :RRHPYFYAPELLFFAKRYKAAFTECC Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.82559 Ang R23.C and N27.ND2 other bump:2.74572 Ang N22.CB and E26.OE1 other bump:2.51988 Ang N22.O and E26.CB other bump:1.81036 Ang Y20.CE2 and E24.OE2 other bump:2.11575 Ang Y20.CZ and E24.OE2 other bump:2.08867 Ang Y20.OH and E24.OE2 other bump:2.79578 Ang Y20.CE2 and E24.OE1 other bump:2.32444 Ang Y20.CE2 and E24.CD other bump:2.93952 Ang Y20.CZ and E24.CD other bump:2.57282 Ang R7.NE and K12.NZ other bump:2.28714 Ang R7.CZ and K12.NZ other bump:2.32857 Ang R7.NH2 and K12.NZ other bump:1.78791 Ang R7.NE and K12.CE other bump:0.811042 Ang R7.CZ and K12.CE other bump:1.21023 Ang R7.NH2 and K12.CE other bump:1.599 Ang R7.NH1 and K12.CE other bump:3.10593 Ang R7.NE and K12.CD other bump:1.81265 Ang R7.CZ and K12.CD other bump:1.61743 Ang R7.NH2 and K12.CD other bump:1.68202 Ang R7.NH1 and K12.CD other bump:2.12134 Ang R7.NH2 and K12.CG other bump:2.82619 Ang R7.CZ and K12.CB other bump:2.04641 Ang R7.NH1 and K12.CB other bump:2.50738 Ang R7.NH1 and K12.CA other bump:3.05616 Ang R4.CZ and R7.NE other bump:2.2193 Ang R4.NH2 and R7.NE other bump:2.24848 Ang R4.CZ and R7.CD other bump:2.39438 Ang R4.NH1 and R7.CD other bump:1.77386 Ang R4.NH2 and R7.CD Number of specific fragments= 4 total=69 Number of alignments=19 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ao6A/T0172-1ao6A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1ao6A read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ao6A/T0172-1ao6A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1ao6A in template set T0172 44 :ELARIIFEYGEEK 1ao6A 6 :EVAHRFKDLGEEN Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.09692 Ang R5.NH1 and E9.OE2 other bump:2.62821 Ang R5.CZ and E9.OE2 other bump:2.19782 Ang R5.CG and E9.OE2 other bump:2.20118 Ang R5.NH1 and E9.OE1 other bump:2.44235 Ang R5.NH1 and E9.CD other bump:2.57916 Ang A4.O and F8.CD1 other bump:2.65553 Ang L3.O and I7.CD1 T0172 58 :FARRIARKIVENR 1ao6A 19 :FKALVLIAFAQYL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.3988 Ang N13.CA and N13.CB other bump:2.55197 Ang R4.CZ and R8.CD other bump:1.96643 Ang R4.NH1 and R8.CD other bump:2.49142 Ang R4.NH2 and R8.CD self-bump: 1.38101 Ang I6.CA and I6.CB T0172 71 :PLNTTLDLVKAVREALPSYE 1ao6A 35 :PFEDHVKLVNEVTEFAKTCV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.84945 Ang V10.CG1 and R14.NH2 other bump:2.81423 Ang V10.CG1 and R14.CZ other bump:2.83597 Ang V10.CG1 and R14.NE T0172 91 :IRRRKRHFATKTFQAIRIY 1ao6A 144 :RRHPYFYAPELLFFAKRYK Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.57282 Ang R7.NE and K12.NZ other bump:2.28714 Ang R7.CZ and K12.NZ other bump:2.32857 Ang R7.NH2 and K12.NZ other bump:1.78791 Ang R7.NE and K12.CE other bump:0.811042 Ang R7.CZ and K12.CE other bump:1.21023 Ang R7.NH2 and K12.CE other bump:1.599 Ang R7.NH1 and K12.CE other bump:3.10593 Ang R7.NE and K12.CD other bump:1.81265 Ang R7.CZ and K12.CD other bump:1.61743 Ang R7.NH2 and K12.CD other bump:1.68202 Ang R7.NH1 and K12.CD other bump:2.12134 Ang R7.NH2 and K12.CG other bump:2.82619 Ang R7.CZ and K12.CB other bump:2.04641 Ang R7.NH1 and K12.CB other bump:2.50738 Ang R7.NH1 and K12.CA other bump:3.05616 Ang R4.CZ and R7.NE other bump:2.2193 Ang R4.NH2 and R7.NE other bump:2.24848 Ang R4.CZ and R7.CD other bump:2.39438 Ang R4.NH1 and R7.CD other bump:1.77386 Ang R4.NH2 and R7.CD Number of specific fragments= 4 total=73 Number of alignments=20 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/1ecmA-T0172-fssp-global-adpstyle5.pw.a2m.gz # 1ecmA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/1ecmA-T0172-fssp-global-adpstyle5.pw.a2m.gz # found chain 1ecmA in template set T0172 16 :ER 1ecmA 9 :AL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0172 18 :EEPLDMRMDLESEVTAQKVLNELPEEELARII 1ecmA 12 :EKISALDEKLLALLAERRELAVEVGKAKLLSH Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.64059 Ang E23.O and E26.CB other bump:1.47773 Ang L21.O and P25.CD other bump:2.68429 Ang L21.C and P25.CD other bump:2.1036 Ang L21.O and P25.CG other bump:3.17385 Ang L21.C and P25.CG other bump:2.39068 Ang K19.O and E23.OE2 other bump:1.41125 Ang K19.O and E23.OE1 other bump:2.16678 Ang K19.C and E23.OE1 other bump:2.56568 Ang V20.C and E23.OE1 other bump:2.33687 Ang V20.CA and E23.OE1 other bump:2.05451 Ang K19.O and E23.CD other bump:2.90904 Ang K19.C and E23.CD other bump:2.81473 Ang G1.C and P4.CD T0172 60 :RRIARKIVENRPLNTTLDLVKAV 1ecmA 44 :RPVRDIDRERDLLERLITLGKAH Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.26878 Ang D19.OD1 and K22.CE other bump:2.26763 Ang T17.O and V21.CG2 other bump:3.19094 Ang E10.C and P13.CD other bump:1.40457 Ang V9.O and P13.CD other bump:2.62408 Ang V9.C and P13.CD other bump:1.99621 Ang V9.O and P13.CG other bump:3.01961 Ang V9.C and P13.CG other bump:2.994 Ang R6.CD and V9.CG2 T0172 85 :ALPSYEIRRRKRHFATKTFQAIRIYVNR 1ecmA 67 :HLDAHYITRLFQLIIEDSVLTQQALLQQ Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:1.93355 Ang F20.CE2 and R24.NH2 other bump:1.3236 Ang F20.CZ and R24.NH2 other bump:2.40125 Ang F20.CE1 and R24.NH2 other bump:1.53241 Ang F20.CD2 and R24.NH1 other bump:0.680647 Ang F20.CE2 and R24.NH1 other bump:2.0003 Ang F20.CZ and R24.NH1 other bump:2.29147 Ang F20.CD2 and R24.CZ other bump:0.954778 Ang F20.CE2 and R24.CZ other bump:0.960404 Ang F20.CZ and R24.CZ other bump:3.10512 Ang F20.CG and R24.CZ other bump:2.29341 Ang F20.CE1 and R24.CZ other bump:1.95255 Ang F20.CE2 and R24.NE other bump:1.49263 Ang F20.CZ and R24.NE other bump:2.40524 Ang F20.CE1 and R24.NE other bump:2.67932 Ang F20.CE2 and R24.CD other bump:2.72465 Ang F20.CZ and R24.CD other bump:2.92408 Ang R11.NH1 and F15.CE1 other bump:1.82618 Ang R9.NE and R13.NH2 other bump:1.54373 Ang R9.CZ and R13.NH2 other bump:2.37637 Ang R9.NH1 and R13.NH2 other bump:1.90156 Ang R9.NH2 and R13.NH2 other bump:2.86137 Ang R9.CZ and R13.CZ other bump:2.95458 Ang R9.NH2 and R13.CZ other bump:2.12871 Ang Y6.CE2 and R10.NH2 other bump:2.7107 Ang Y6.CZ and R10.NH2 other bump:2.76106 Ang Y6.OH and R10.NH2 other bump:2.8072 Ang Y6.CE2 and R10.CZ other bump:2.84221 Ang Y6.CZ and R10.CZ other bump:2.6396 Ang Y6.OH and R10.CZ other bump:2.94359 Ang Y6.CE2 and R10.NE other bump:2.85757 Ang Y6.CZ and R10.NE Number of specific fragments= 4 total=77 Number of alignments=21 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/1ecmA-T0172-fssp-global-adpstyle1.pw.a2m.gz # 1ecmA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/1ecmA-T0172-fssp-global-adpstyle1.pw.a2m.gz # found chain 1ecmA in template set T0172 13 :FTFEREEPLDMRMDLESEVTAQKVLNELPEEELARIIFEYGEEKRFARRIARKIVENRPLN 1ecmA 6 :PLLALREKISALDEKLLALLAERRELAVEVGKAKLLSHRPVRDIDRERDLLERLITLGKAH Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 63 residues other bump:2.83694 Ang I55.CG2 and R59.NH2 other bump:2.47066 Ang I55.CG2 and R59.NH1 other bump:2.29893 Ang I55.CG2 and R59.CZ other bump:2.65281 Ang I55.CG2 and R59.NE other bump:1.76228 Ang F47.CE2 and I51.CD1 other bump:2.46434 Ang F47.CZ and I51.CD1 other bump:2.24523 Ang F47.CD2 and I51.CD1 other bump:2.99432 Ang F47.CE2 and I51.CG1 other bump:2.93227 Ang I38.CD1 and E40.OE2 other bump:2.13195 Ang I38.CD1 and E40.OE1 other bump:2.32948 Ang I38.CD1 and E40.CD other bump:3.16659 Ang I38.CG1 and E40.CG other bump:2.41892 Ang R36.O and F39.CZ other bump:3.04852 Ang R36.C and F39.CZ other bump:2.25038 Ang R36.O and F39.CE2 other bump:2.94282 Ang R36.C and F39.CE2 other bump:2.83883 Ang R36.CG and F39.CE2 other bump:2.33464 Ang R36.O and F39.CE1 other bump:3.16724 Ang R36.C and F39.CE1 other bump:3.09974 Ang I37.CA and F39.CE1 other bump:1.97658 Ang R36.O and F39.CD2 other bump:2.96715 Ang R36.C and F39.CD2 other bump:2.57146 Ang I37.O and F39.CD1 other bump:2.06846 Ang R36.O and F39.CD1 other bump:1.88349 Ang R36.O and F39.CG other bump:3.09666 Ang R36.C and F39.CG other bump:2.64061 Ang L29.O and E32.CB other bump:2.14234 Ang L10.CD2 and R13.NH2 other bump:2.03878 Ang R6.NH1 and P9.CD neighbor-bump: 2.68599 Ang F2.CD1 and T3.N self-bump: 1.39537 Ang F2.CA and F2.CB T0172 85 :ALPSYEIRRRKRHFATKTFQAIRIYVNR 1ecmA 67 :HLDAHYITRLFQLIIEDSVLTQQALLQQ Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:1.93355 Ang F20.CE2 and R24.NH2 other bump:1.3236 Ang F20.CZ and R24.NH2 other bump:2.40125 Ang F20.CE1 and R24.NH2 other bump:1.53241 Ang F20.CD2 and R24.NH1 other bump:0.680647 Ang F20.CE2 and R24.NH1 other bump:2.0003 Ang F20.CZ and R24.NH1 other bump:2.29147 Ang F20.CD2 and R24.CZ other bump:0.954778 Ang F20.CE2 and R24.CZ other bump:0.960404 Ang F20.CZ and R24.CZ other bump:3.10512 Ang F20.CG and R24.CZ other bump:2.29341 Ang F20.CE1 and R24.CZ other bump:1.95255 Ang F20.CE2 and R24.NE other bump:1.49263 Ang F20.CZ and R24.NE other bump:2.40524 Ang F20.CE1 and R24.NE other bump:2.67932 Ang F20.CE2 and R24.CD other bump:2.72465 Ang F20.CZ and R24.CD other bump:2.92408 Ang R11.NH1 and F15.CE1 other bump:1.82618 Ang R9.NE and R13.NH2 other bump:1.54373 Ang R9.CZ and R13.NH2 other bump:2.37637 Ang R9.NH1 and R13.NH2 other bump:1.90156 Ang R9.NH2 and R13.NH2 other bump:2.86137 Ang R9.CZ and R13.CZ other bump:2.95458 Ang R9.NH2 and R13.CZ other bump:2.12871 Ang Y6.CE2 and R10.NH2 other bump:2.7107 Ang Y6.CZ and R10.NH2 other bump:2.76106 Ang Y6.OH and R10.NH2 other bump:2.8072 Ang Y6.CE2 and R10.CZ other bump:2.84221 Ang Y6.CZ and R10.CZ other bump:2.6396 Ang Y6.OH and R10.CZ other bump:2.94359 Ang Y6.CE2 and R10.NE other bump:2.85757 Ang Y6.CZ and R10.NE Number of specific fragments= 2 total=79 Number of alignments=22 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1ecmA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1ecmA in template set T0172 43 :E 1ecmA 19 :E Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0172 47 :RIIFEYGEEKRFARRIARK 1ecmA 20 :KLLALLAERRELAVEVGKA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.65887 Ang R16.NH1 and R19.NH1 other bump:2.84112 Ang R16.NE and R19.NH1 other bump:1.95751 Ang R16.CZ and R19.NH1 other bump:2.5131 Ang R16.NH2 and R19.NH1 other bump:2.02555 Ang R16.NH1 and R19.CZ other bump:2.81207 Ang R16.CZ and R19.CZ other bump:2.04454 Ang R16.NH1 and R19.NE other bump:3.22942 Ang R16.CZ and R19.NE other bump:1.82256 Ang R16.NH1 and R19.CD other bump:3.12456 Ang R16.CZ and R19.CD other bump:2.79852 Ang E9.OE2 and F13.CZ other bump:2.76447 Ang I3.CG2 and Y7.OH other bump:2.5815 Ang I3.CG2 and Y7.CZ other bump:1.72696 Ang I3.CG2 and Y7.CE1 other bump:3.08109 Ang I3.C and Y7.CE1 other bump:3.04043 Ang I3.CB and Y7.CE1 other bump:2.83614 Ang I3.CG2 and Y7.CD1 other bump:2.16276 Ang I3.O and Y7.CD1 T0172 66 :IVENRPLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAI 1ecmA 40 :LLSHRPVRDIDRERDLLERLITLGKAHHLDAHYITRLFQLI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.78513 Ang Y25.OH and F39.CZ other bump:2.02808 Ang Y25.OH and F39.CE1 other bump:2.63431 Ang Y25.OH and F39.CD1 other bump:3.01004 Ang Y25.CD2 and A35.CB other bump:2.84899 Ang Y25.CE2 and A35.CB other bump:3.01472 Ang L22.CD2 and R32.CA other bump:2.16035 Ang Y25.CD1 and R28.NH2 other bump:2.33617 Ang Y25.CE1 and R28.NH2 other bump:3.03917 Ang A21.CB and Y25.CE2 other bump:2.25071 Ang A21.O and Y25.CD2 other bump:2.75432 Ang A21.C and Y25.CD2 other bump:2.36347 Ang A21.O and Y25.CG other bump:1.5604 Ang R19.O and P23.CD other bump:2.72106 Ang R19.C and P23.CD other bump:3.00194 Ang E20.C and P23.CD other bump:2.19388 Ang R19.O and P23.CG other bump:2.96737 Ang V15.CG1 and R19.NH2 other bump:2.86529 Ang V15.CG1 and R19.CZ other bump:3.1262 Ang V15.CG1 and R19.NE Number of specific fragments= 3 total=82 Number of alignments=23 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1ecmA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1ecmA in template set T0172 46 :ARIIFEYGEEKRFARRIARK 1ecmA 19 :EKLLALLAERRELAVEVGKA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.65887 Ang R17.NH1 and R20.NH1 other bump:2.84112 Ang R17.NE and R20.NH1 other bump:1.95751 Ang R17.CZ and R20.NH1 other bump:2.5131 Ang R17.NH2 and R20.NH1 other bump:2.02555 Ang R17.NH1 and R20.CZ other bump:2.81207 Ang R17.CZ and R20.CZ other bump:2.04454 Ang R17.NH1 and R20.NE other bump:3.22942 Ang R17.CZ and R20.NE other bump:1.82256 Ang R17.NH1 and R20.CD other bump:3.12456 Ang R17.CZ and R20.CD other bump:2.79852 Ang E10.OE2 and F14.CZ other bump:2.76447 Ang I4.CG2 and Y8.OH other bump:2.58151 Ang I4.CG2 and Y8.CZ other bump:1.72696 Ang I4.CG2 and Y8.CE1 other bump:3.04044 Ang I4.CB and Y8.CE1 other bump:3.08109 Ang I4.C and Y8.CE1 other bump:2.83614 Ang I4.CG2 and Y8.CD1 other bump:2.16276 Ang I4.O and Y8.CD1 T0172 66 :IVENRPLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAI 1ecmA 40 :LLSHRPVRDIDRERDLLERLITLGKAHHLDAHYITRLFQLI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.78513 Ang Y25.OH and F39.CZ other bump:2.02808 Ang Y25.OH and F39.CE1 other bump:2.63431 Ang Y25.OH and F39.CD1 other bump:3.01004 Ang Y25.CD2 and A35.CB other bump:2.84899 Ang Y25.CE2 and A35.CB other bump:3.01472 Ang L22.CD2 and R32.CA other bump:2.16035 Ang Y25.CD1 and R28.NH2 other bump:2.33617 Ang Y25.CE1 and R28.NH2 other bump:3.03917 Ang A21.CB and Y25.CE2 other bump:2.25071 Ang A21.O and Y25.CD2 other bump:2.75432 Ang A21.C and Y25.CD2 other bump:2.36347 Ang A21.O and Y25.CG other bump:1.5604 Ang R19.O and P23.CD other bump:2.72106 Ang R19.C and P23.CD other bump:3.00194 Ang E20.C and P23.CD other bump:2.19388 Ang R19.O and P23.CG other bump:2.96737 Ang V15.CG1 and R19.NH2 other bump:2.86529 Ang V15.CG1 and R19.CZ other bump:3.1262 Ang V15.CG1 and R19.NE Number of specific fragments= 2 total=84 Number of alignments=24 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1lo0Y/T0172-1lo0Y-local-adpstyle5.pw.a2m.gz # 1lo0Y read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1lo0Y/T0172-1lo0Y-local-adpstyle5.pw.a2m.gz # adding 1lo0Y to template set 1lo0Y:# found chain 1lo0Y in template set T0172 3 :TYQLKGENRGFTFEREEPLDMR 1lo0Y 17 :SLKLSCAASGFSFRNYGMSWVR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:3.27953 Ang L20.CD1 and M22.SD other bump:2.79495 Ang N9.CG and F14.CZ other bump:1.53054 Ang N9.ND2 and F14.CZ other bump:2.83057 Ang N9.ND2 and F14.CE2 other bump:2.67194 Ang N9.CG and F14.CE1 other bump:1.89908 Ang N9.ND2 and F14.CE1 other bump:2.73251 Ang Y3.CZ and L5.CD2 other bump:1.74453 Ang Y3.CE2 and L5.CD2 T0172 28 :ESEVTAQKVLNELPEEELARIIFEYGEEKRFARRIARKIVEN 1lo0Y 39 :QTPEKRLEWVASISYGGLIYYPDSIKGRFTISRDIAQNILYL Fragment has 65 clashes (null) has 65 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.47068 Ang K30.NZ and N43.ND2 other bump:2.40485 Ang R35.NH2 and I40.CD1 other bump:1.88771 Ang R35.NE and R38.NH2 other bump:2.80096 Ang R35.CZ and R38.NH2 other bump:2.43158 Ang R35.NH2 and R38.NH1 other bump:3.10845 Ang R35.NE and R38.NH1 other bump:2.08238 Ang R35.NH2 and R38.CZ other bump:1.8695 Ang R35.NE and R38.CZ other bump:2.06885 Ang R35.CZ and R38.CZ other bump:1.93963 Ang R35.NH1 and R38.NE other bump:1.72629 Ang R35.NH2 and R38.NE other bump:2.57575 Ang R35.CD and R38.NE other bump:1.53526 Ang R35.NE and R38.NE other bump:1.13622 Ang R35.CZ and R38.NE other bump:1.50773 Ang R35.NH1 and R38.CD other bump:1.82845 Ang R35.NH2 and R38.CD other bump:2.69781 Ang R35.NE and R38.CD other bump:1.59944 Ang R35.CZ and R38.CD other bump:0.772824 Ang R35.NH1 and R38.CG other bump:1.90069 Ang R35.CZ and R38.CG other bump:1.54523 Ang R35.NH1 and R38.CB other bump:2.33747 Ang R35.NH2 and R38.CB other bump:1.92703 Ang R35.CZ and R38.CB other bump:2.66783 Ang R35.NH1 and R38.CA other bump:2.70705 Ang E18.CG and R34.NH2 other bump:1.95095 Ang E13.O and F32.CZ other bump:2.81564 Ang E13.C and F32.CZ other bump:2.72778 Ang L14.CG and F32.CZ other bump:2.33362 Ang L14.CD2 and F32.CZ other bump:3.06728 Ang A20.CA and F32.CZ other bump:2.97292 Ang R21.N and F32.CZ other bump:2.96957 Ang A20.CB and F32.CZ other bump:2.90791 Ang E13.O and F32.CE2 other bump:2.92154 Ang R21.O and F32.CE2 other bump:2.40987 Ang E13.O and F32.CE1 other bump:2.85076 Ang E13.C and F32.CE1 other bump:3.05849 Ang L14.CA and F32.CE1 other bump:2.61359 Ang L14.CB and F32.CE1 other bump:1.36955 Ang L14.CG and F32.CE1 other bump:2.49406 Ang L14.CD1 and F32.CE1 other bump:1.58902 Ang L14.CD2 and F32.CE1 other bump:2.72431 Ang N12.CB and F32.CD2 other bump:1.77476 Ang L14.CG and F32.CD1 other bump:2.02521 Ang L14.CD1 and F32.CD1 other bump:2.61614 Ang L14.CD2 and F32.CD1 other bump:2.63262 Ang L11.CD1 and K30.NZ self-bump: 1.39223 Ang E28.CA and E28.CB other bump:2.91965 Ang I22.CG2 and G27.CA other bump:2.68226 Ang I22.CG2 and G27.N other bump:2.68595 Ang L11.CD2 and Y26.CZ other bump:2.80647 Ang V10.O and Y26.CE2 other bump:2.90259 Ang L11.CD2 and Y26.CE1 other bump:2.29935 Ang V10.O and I23.CD1 other bump:2.55536 Ang N12.OD1 and I22.CG1 other bump:2.38639 Ang L14.CD2 and A20.CB other bump:2.72453 Ang L14.CD2 and A20.CA other bump:3.14799 Ang P15.CG and L19.C other bump:2.54502 Ang P15.CD and L19.C other bump:2.51107 Ang P15.CG and L19.O other bump:1.48553 Ang P15.CD and L19.O other bump:2.96625 Ang P15.CG and L19.CB other bump:3.22588 Ang P15.CG and L19.CA other bump:3.16635 Ang P15.CD and L19.CA other bump:3.09168 Ang P15.CD and L19.N neighbor-bump: 2.38397 Ang L11.O and N12.CG Number of specific fragments= 2 total=86 Number of alignments=25 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1lo0Y/T0172-1lo0Y-local-adpstyle1.pw.a2m.gz # 1lo0Y read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1lo0Y/T0172-1lo0Y-local-adpstyle1.pw.a2m.gz # found chain 1lo0Y in template set T0172 3 :TYQLKGENRGFTFEREE 1lo0Y 17 :SLKLSCAASGFSFRNYG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.79495 Ang N9.CG and F14.CZ other bump:1.53054 Ang N9.ND2 and F14.CZ other bump:2.83057 Ang N9.ND2 and F14.CE2 other bump:2.67194 Ang N9.CG and F14.CE1 other bump:1.89908 Ang N9.ND2 and F14.CE1 other bump:2.73251 Ang Y3.CZ and L5.CD2 other bump:1.74453 Ang Y3.CE2 and L5.CD2 T0172 23 :MRMDLESEVTAQKVLNELPEEELARIIFEYGEEKRFARRIARKIV 1lo0Y 34 :MSWVRQTPEKRLEWVASISYGGLIYYPDSIKGRFTISRDIAQNIL Fragment has 74 clashes (null) has 74 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.40485 Ang R40.NH2 and I45.CD1 other bump:1.88771 Ang R40.NE and R43.NH2 other bump:2.80096 Ang R40.CZ and R43.NH2 other bump:2.43158 Ang R40.NH2 and R43.NH1 other bump:3.10845 Ang R40.NE and R43.NH1 other bump:2.08238 Ang R40.NH2 and R43.CZ other bump:1.8695 Ang R40.NE and R43.CZ other bump:2.06885 Ang R40.CZ and R43.CZ other bump:1.93963 Ang R40.NH1 and R43.NE other bump:1.72629 Ang R40.NH2 and R43.NE other bump:2.57575 Ang R40.CD and R43.NE other bump:1.53526 Ang R40.NE and R43.NE other bump:1.13622 Ang R40.CZ and R43.NE other bump:1.50773 Ang R40.NH1 and R43.CD other bump:1.82845 Ang R40.NH2 and R43.CD other bump:2.69781 Ang R40.NE and R43.CD other bump:1.59944 Ang R40.CZ and R43.CD other bump:0.772824 Ang R40.NH1 and R43.CG other bump:1.90069 Ang R40.CZ and R43.CG other bump:1.54523 Ang R40.NH1 and R43.CB other bump:2.33747 Ang R40.NH2 and R43.CB other bump:1.92703 Ang R40.CZ and R43.CB other bump:2.66783 Ang R40.NH1 and R43.CA other bump:2.70705 Ang E23.CG and R39.NH2 other bump:1.95095 Ang E18.O and F37.CZ other bump:2.81564 Ang E18.C and F37.CZ other bump:2.72778 Ang L19.CG and F37.CZ other bump:2.33362 Ang L19.CD2 and F37.CZ other bump:3.06728 Ang A25.CA and F37.CZ other bump:2.97292 Ang R26.N and F37.CZ other bump:2.96957 Ang A25.CB and F37.CZ other bump:2.90791 Ang E18.O and F37.CE2 other bump:2.92154 Ang R26.O and F37.CE2 other bump:2.40987 Ang E18.O and F37.CE1 other bump:2.85076 Ang E18.C and F37.CE1 other bump:3.05849 Ang L19.CA and F37.CE1 other bump:2.61359 Ang L19.CB and F37.CE1 other bump:1.36955 Ang L19.CG and F37.CE1 other bump:2.49406 Ang L19.CD1 and F37.CE1 other bump:1.58902 Ang L19.CD2 and F37.CE1 other bump:2.72431 Ang N17.CB and F37.CD2 other bump:1.77476 Ang L19.CG and F37.CD1 other bump:2.02521 Ang L19.CD1 and F37.CD1 other bump:2.61614 Ang L19.CD2 and F37.CD1 other bump:2.63262 Ang L16.CD1 and K35.NZ self-bump: 1.39223 Ang E33.CA and E33.CB other bump:2.91965 Ang I27.CG2 and G32.CA other bump:2.68226 Ang I27.CG2 and G32.N other bump:2.68595 Ang L16.CD2 and Y31.CZ other bump:2.80647 Ang V15.O and Y31.CE2 other bump:2.90259 Ang L16.CD2 and Y31.CE1 other bump:2.29935 Ang V15.O and I28.CD1 other bump:2.55536 Ang N17.OD1 and I27.CG1 other bump:2.38639 Ang L19.CD2 and A25.CB other bump:2.72453 Ang L19.CD2 and A25.CA other bump:3.14799 Ang P20.CG and L24.C other bump:2.54502 Ang P20.CD and L24.C other bump:2.51107 Ang P20.CG and L24.O other bump:1.48553 Ang P20.CD and L24.O other bump:2.96625 Ang P20.CG and L24.CB other bump:3.22588 Ang P20.CG and L24.CA other bump:3.16635 Ang P20.CD and L24.CA other bump:3.09168 Ang P20.CD and L24.N neighbor-bump: 2.38397 Ang L16.O and N17.CG other bump:2.60308 Ang R3.NH2 and V15.CG2 other bump:3.11933 Ang R3.NH2 and V15.CB other bump:2.93459 Ang R3.NH2 and V15.CA other bump:2.36396 Ang R3.CD and D5.OD2 other bump:2.48086 Ang R3.CD and D5.OD1 other bump:1.43359 Ang R3.NE and D5.OD1 other bump:1.38235 Ang R3.CZ and D5.OD1 other bump:1.94169 Ang R3.NH2 and D5.OD1 other bump:2.70551 Ang R3.CD and D5.CG other bump:2.29165 Ang R3.NE and D5.CG Number of specific fragments= 2 total=88 Number of alignments=26 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1ecmA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1ecmA in template set T0172 46 :ARIIFEYGEEKRFARRIARK 1ecmA 19 :EKLLALLAERRELAVEVGKA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.65887 Ang R17.NH1 and R20.NH1 other bump:2.84112 Ang R17.NE and R20.NH1 other bump:1.95751 Ang R17.CZ and R20.NH1 other bump:2.5131 Ang R17.NH2 and R20.NH1 other bump:2.02555 Ang R17.NH1 and R20.CZ other bump:2.81207 Ang R17.CZ and R20.CZ other bump:2.04454 Ang R17.NH1 and R20.NE other bump:3.22942 Ang R17.CZ and R20.NE other bump:1.82256 Ang R17.NH1 and R20.CD other bump:3.12456 Ang R17.CZ and R20.CD other bump:2.79852 Ang E10.OE2 and F14.CZ other bump:2.76447 Ang I4.CG2 and Y8.OH other bump:2.58151 Ang I4.CG2 and Y8.CZ other bump:1.72696 Ang I4.CG2 and Y8.CE1 other bump:3.04044 Ang I4.CB and Y8.CE1 other bump:3.08109 Ang I4.C and Y8.CE1 other bump:2.83614 Ang I4.CG2 and Y8.CD1 other bump:2.16276 Ang I4.O and Y8.CD1 T0172 66 :IVENRPLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAI 1ecmA 40 :LLSHRPVRDIDRERDLLERLITLGKAHHLDAHYITRLFQLI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.78513 Ang Y25.OH and F39.CZ other bump:2.02808 Ang Y25.OH and F39.CE1 other bump:2.63431 Ang Y25.OH and F39.CD1 other bump:3.01004 Ang Y25.CD2 and A35.CB other bump:2.84899 Ang Y25.CE2 and A35.CB other bump:3.01472 Ang L22.CD2 and R32.CA other bump:2.16035 Ang Y25.CD1 and R28.NH2 other bump:2.33617 Ang Y25.CE1 and R28.NH2 other bump:3.03917 Ang A21.CB and Y25.CE2 other bump:2.25071 Ang A21.O and Y25.CD2 other bump:2.75432 Ang A21.C and Y25.CD2 other bump:2.36347 Ang A21.O and Y25.CG other bump:1.5604 Ang R19.O and P23.CD other bump:2.72106 Ang R19.C and P23.CD other bump:3.00194 Ang E20.C and P23.CD other bump:2.19388 Ang R19.O and P23.CG other bump:2.96737 Ang V15.CG1 and R19.NH2 other bump:2.86529 Ang V15.CG1 and R19.CZ other bump:3.1262 Ang V15.CG1 and R19.NE Number of specific fragments= 2 total=90 Number of alignments=27 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1ecmA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1ecmA in template set T0172 46 :ARIIFEYGEEKRFARRIARK 1ecmA 19 :EKLLALLAERRELAVEVGKA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.65887 Ang R17.NH1 and R20.NH1 other bump:2.84112 Ang R17.NE and R20.NH1 other bump:1.95751 Ang R17.CZ and R20.NH1 other bump:2.5131 Ang R17.NH2 and R20.NH1 other bump:2.02555 Ang R17.NH1 and R20.CZ other bump:2.81207 Ang R17.CZ and R20.CZ other bump:2.04454 Ang R17.NH1 and R20.NE other bump:3.22942 Ang R17.CZ and R20.NE other bump:1.82256 Ang R17.NH1 and R20.CD other bump:3.12456 Ang R17.CZ and R20.CD other bump:2.79852 Ang E10.OE2 and F14.CZ other bump:2.76447 Ang I4.CG2 and Y8.OH other bump:2.58151 Ang I4.CG2 and Y8.CZ other bump:1.72696 Ang I4.CG2 and Y8.CE1 other bump:3.04044 Ang I4.CB and Y8.CE1 other bump:3.08109 Ang I4.C and Y8.CE1 other bump:2.83614 Ang I4.CG2 and Y8.CD1 other bump:2.16276 Ang I4.O and Y8.CD1 T0172 66 :IVENRPLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAI 1ecmA 40 :LLSHRPVRDIDRERDLLERLITLGKAHHLDAHYITRLFQLI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.78513 Ang Y25.OH and F39.CZ other bump:2.02808 Ang Y25.OH and F39.CE1 other bump:2.63431 Ang Y25.OH and F39.CD1 other bump:3.01004 Ang Y25.CD2 and A35.CB other bump:2.84899 Ang Y25.CE2 and A35.CB other bump:3.01472 Ang L22.CD2 and R32.CA other bump:2.16035 Ang Y25.CD1 and R28.NH2 other bump:2.33617 Ang Y25.CE1 and R28.NH2 other bump:3.03917 Ang A21.CB and Y25.CE2 other bump:2.25071 Ang A21.O and Y25.CD2 other bump:2.75432 Ang A21.C and Y25.CD2 other bump:2.36347 Ang A21.O and Y25.CG other bump:1.5604 Ang R19.O and P23.CD other bump:2.72106 Ang R19.C and P23.CD other bump:3.00194 Ang E20.C and P23.CD other bump:2.19388 Ang R19.O and P23.CG other bump:2.96737 Ang V15.CG1 and R19.NH2 other bump:2.86529 Ang V15.CG1 and R19.CZ other bump:3.1262 Ang V15.CG1 and R19.NE Number of specific fragments= 2 total=92 Number of alignments=28 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1hyeA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1hyeA in template set T0172 40 :LPEEELARIIFEYGEEK 1hyeA 205 :LPIDEIIEDVKTKGEQI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.45812 Ang Y14.CD1 and E17.OE2 neighbor-bump: 2.55774 Ang E13.OE2 and Y14.CZ neighbor-bump: 2.97586 Ang E13.OE2 and Y14.CE2 T0172 97 :HFATKTFQAIRIYVNREL 1hyeA 231 :GPAAAILNVVRCIVNNEK Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.95906 Ang F8.CE1 and R12.NH2 other bump:2.29954 Ang F8.CZ and R12.NH2 other bump:2.58977 Ang F8.CE1 and R12.NH1 other bump:2.77216 Ang F8.CD1 and R12.CZ other bump:1.81281 Ang F8.CE1 and R12.CZ other bump:2.79496 Ang F8.CZ and R12.CZ other bump:2.86717 Ang F8.CD1 and R12.NE other bump:2.13262 Ang F8.CE1 and R12.NE other bump:2.98381 Ang F8.CZ and R12.NE other bump:2.82477 Ang F8.CZ and R12.CD Number of specific fragments= 2 total=94 Number of alignments=29 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1hyeA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1hyeA in template set T0172 78 :LVKAVREALPSYE 1hyeA 207 :IDEIIEDVKTKGE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.82587 Ang Y13.CZ and E14.OE2 other bump:2.26226 Ang A9.O and Y13.CB other bump:1.98902 Ang R7.O and P11.CD other bump:3.12338 Ang R7.C and P11.CD neighbor-bump: 2.67998 Ang L10.N and P11.CD neighbor-bump: 2.72233 Ang L10.CB and P11.CD self-bump: 1.36517 Ang P11.N and P11.CD other bump:2.34789 Ang R7.O and P11.CG T0172 97 :HFATKTFQAIRIYVNRE 1hyeA 231 :GPAAAILNVVRCIVNNE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.95906 Ang F8.CE1 and R12.NH2 other bump:2.29954 Ang F8.CZ and R12.NH2 other bump:2.58977 Ang F8.CE1 and R12.NH1 other bump:1.81281 Ang F8.CE1 and R12.CZ other bump:2.79496 Ang F8.CZ and R12.CZ other bump:2.77216 Ang F8.CD1 and R12.CZ other bump:2.13262 Ang F8.CE1 and R12.NE other bump:2.98381 Ang F8.CZ and R12.NE other bump:2.86717 Ang F8.CD1 and R12.NE other bump:2.82477 Ang F8.CZ and R12.CD Number of specific fragments= 2 total=96 Number of alignments=30 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/1cwyA-T0172-fssp-global-adpstyle5.pw.a2m.gz # 1cwyA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/1cwyA-T0172-fssp-global-adpstyle5.pw.a2m.gz # found chain 1cwyA in template set T0172 1 :VSTYQLKGEN 1cwyA 6 :AFGLLLHPTS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91186 Ang K7.CD and E9.CD other bump:2.90978 Ang K7.CD and E9.CG neighbor-bump: 2.42812 Ang V1.CG1 and S2.N T0172 11 :RGFTF 1cwyA 21 :GVGVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0172 17 :REEPLDM 1cwyA 26 :GREARDF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.57998 Ang R2.O and P5.CD other bump:3.00481 Ang R2.C and P5.CD other bump:3.02823 Ang R2.N and P5.CG neighbor-bump: 2.38041 Ang R2.CB and E3.N self-bump: 2.19821 Ang R2.CB and R2.C T0172 24 :RMDLESE 1cwyA 61 :SFSAFAG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.02044 Ang D4.OD2 and S7.OG T0172 32 :TAQKVLNELPE 1cwyA 195 :QWGALKAEAEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0172 43 :EELARII 1cwyA 278 :RRLEKAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0172 51 :EYGEEKRF 1cwyA 291 :RIDHFRGF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.68608 Ang E5.OE2 and R8.CZ T0172 59 :ARRIARKIVENRPLNTTLD 1cwyA 324 :LFQKIQEVFGEVPVLAEDL Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.92555 Ang T17.CG2 and L19.CD2 other bump:2.68238 Ang T17.CB and L19.CD1 other bump:2.6019 Ang T17.CG2 and L19.CD1 other bump:3.13091 Ang T17.CB and L19.CG other bump:2.50368 Ang T17.CG2 and L19.CG other bump:2.84005 Ang N12.ND2 and P14.CD other bump:1.39816 Ang R3.NE and R13.NH2 other bump:1.85284 Ang R3.CZ and R13.NH2 other bump:1.91999 Ang R3.NH2 and R13.NH2 other bump:2.87389 Ang R3.NE and R13.NH1 other bump:2.49871 Ang R3.CD and R13.CZ other bump:1.80586 Ang R3.NE and R13.CZ other bump:2.8604 Ang R3.CZ and R13.CZ other bump:2.24966 Ang R3.CD and R13.NE other bump:2.20525 Ang R3.NE and R13.NE other bump:3.27303 Ang R3.CZ and R13.NE other bump:2.2696 Ang R4.CD and R7.NH2 other bump:2.12598 Ang R4.NE and R7.NH2 T0172 78 :LVKAVRE 1cwyA 348 :EVEALRD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0172 85 :AL 1cwyA 356 :FG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0172 87 :PSY 1cwyA 390 :YTG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 1.32628 Ang S3.CA and S3.CB T0172 91 :IRRRKRHFATKTFQAIRIYVN 1cwyA 432 :PWALMHLGMKSVARLAVYPVQ Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:3.01453 Ang I2.CG2 and G23.CA other bump:2.53116 Ang K6.CD and I19.CD1 other bump:2.86056 Ang K6.CD and I19.CG2 other bump:2.56366 Ang A10.N and I17.CD1 other bump:2.34755 Ang A10.CA and I17.CD1 other bump:2.83505 Ang F9.CD1 and I17.CD1 other bump:2.46888 Ang F9.C and I17.CD1 other bump:2.1495 Ang F9.O and I17.CD1 other bump:2.359 Ang F9.CE1 and I17.CG2 other bump:2.94845 Ang F9.CG and I17.CG2 other bump:1.7863 Ang F9.CD1 and I17.CG2 other bump:2.20327 Ang F9.CE1 and I17.CG1 other bump:2.19482 Ang F9.CD1 and I17.CG1 other bump:2.16531 Ang F9.CE1 and I17.CB other bump:2.27189 Ang F9.CD1 and I17.CB other bump:2.09578 Ang F9.CE1 and I17.CA other bump:2.96186 Ang F9.CD1 and I17.CA other bump:3.10902 Ang F9.CZ and I17.CA other bump:2.62532 Ang I2.CG2 and K6.NZ T0172 112 :RELEN 1cwyA 495 :EATER Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 13 total=109 Number of alignments=31 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/1cwyA-T0172-fssp-global-adpstyle1.pw.a2m.gz # 1cwyA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/1cwyA-T0172-fssp-global-adpstyle1.pw.a2m.gz # found chain 1cwyA in template set T0172 1 :VSTYQLKGENRGF 1cwyA 41 :GRYWQVLPLGPTG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.77741 Ang L6.CD1 and E9.OE2 T0172 14 :TFEREEPLDMRMD 1cwyA 192 :FFRQWGALKAEAE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.67933 Ang E4.O and P8.CD other bump:3.10063 Ang R5.C and P8.CD other bump:2.83233 Ang E4.C and P8.CD other bump:2.2445 Ang E4.O and P8.CG T0172 27 :LESEVT 1cwyA 294 :HFRGFE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0172 33 :AQKVLNELPEEE 1cwyA 321 :GEKLFQKIQEVF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0172 45 :LARIIFEYG 1cwyA 334 :EVPVLAEDL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26102 Ang F7.CG and Y9.OH other bump:2.43283 Ang F7.CD1 and Y9.OH other bump:2.67055 Ang F7.CD2 and Y9.OH other bump:2.48896 Ang F7.CG and Y9.CZ other bump:2.42213 Ang F7.CB and Y9.CZ other bump:2.84813 Ang F7.CA and Y9.CE1 other bump:2.18145 Ang F7.CG and Y9.CE1 other bump:1.36845 Ang F7.CB and Y9.CE1 other bump:2.18812 Ang F7.CB and Y9.CD1 other bump:2.50507 Ang L2.CD1 and R4.CD other bump:2.43737 Ang L2.CD1 and R4.CG T0172 55 :EK 1cwyA 346 :TP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0172 58 :FARRIA 1cwyA 348 :EVEALR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0172 64 :RKIVENRPLNTTLD 1cwyA 379 :HNYPAHGRVVVYTG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues self-bump: 1.38191 Ang L14.CA and L14.CB neighbor-bump: 2.55891 Ang P9.O and L10.CD1 neighbor-bump: 2.63032 Ang N7.C and R8.CB T0172 79 :VKAVREALPSYEIRRRKRHFATKTFQ 1cwyA 426 :REEEEVPWALMHLGMKSVARLAVYPV Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.36882 Ang Y12.CD1 and T25.OG1 other bump:1.83132 Ang Y12.CE1 and T25.OG1 other bump:2.69884 Ang Y12.CZ and T25.OG1 other bump:3.01846 Ang Y12.CZ and T25.CG2 other bump:2.4261 Ang R15.CZ and T23.OG1 other bump:1.86301 Ang R15.NH1 and T23.OG1 other bump:2.44762 Ang R15.CG and T23.CG2 other bump:2.43977 Ang R15.NH2 and A22.C other bump:2.57189 Ang R15.CZ and A22.O other bump:1.45588 Ang R15.NH2 and A22.O other bump:2.11425 Ang H20.ND1 and A22.O other bump:2.76338 Ang R15.NH2 and H20.CE1 other bump:3.07147 Ang R15.CZ and H20.ND1 other bump:1.88463 Ang R15.NH2 and H20.ND1 other bump:2.96413 Ang R15.CZ and H20.CB other bump:2.80426 Ang R15.NH2 and H20.CB other bump:2.25622 Ang E13.CD and R17.NH2 other bump:1.00274 Ang E13.OE1 and R17.NH2 other bump:1.98577 Ang E13.CG and R17.NH1 other bump:0.582362 Ang E13.CD and R17.NH1 other bump:1.37296 Ang E13.OE1 and R17.NH1 other bump:0.919908 Ang E13.OE2 and R17.NH1 other bump:2.82949 Ang E13.CG and R17.CZ other bump:1.42658 Ang E13.CD and R17.CZ other bump:0.846242 Ang E13.OE1 and R17.CZ other bump:1.92341 Ang E13.OE2 and R17.CZ other bump:2.45673 Ang E13.CD and R17.NE other bump:2.13547 Ang E13.OE1 and R17.NE other bump:3.05867 Ang E13.CD and R17.CD other bump:2.47059 Ang E13.OE2 and R17.CD other bump:1.49725 Ang R6.O and P10.CD other bump:2.6489 Ang R6.C and P10.CD other bump:3.20155 Ang E7.CA and P10.CD other bump:2.88481 Ang E7.C and P10.CD other bump:2.33126 Ang R6.O and P10.CG other bump:3.13814 Ang R6.C and P10.CG self-bump: 1.39039 Ang V2.CA and V2.CB T0172 105 :AIRIYVNRELENL 1cwyA 485 :EHGARLRAMAEAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 10 total=119 Number of alignments=32 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-local-adpstyle5.pw.a2m.gz # 1hyeA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-local-adpstyle5.pw.a2m.gz # found chain 1hyeA in template set T0172 46 :ARIIFEYGEEK 1hyeA 172 :TRIIGEHGDSM Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.38889 Ang E7.O and K12.CG neighbor-bump: 2.97938 Ang F6.CE2 and E7.CG neighbor-bump: 2.37835 Ang F6.CD2 and E7.CB neighbor-bump: 1.82573 Ang F6.CE2 and E7.CB neighbor-bump: 2.69339 Ang F6.CZ and E7.CB neighbor-bump: 2.62285 Ang F6.CD2 and E7.CA neighbor-bump: 2.77548 Ang F6.CE2 and E7.CA neighbor-bump: 2.1109 Ang F6.CG and E7.N neighbor-bump: 1.89898 Ang F6.CD2 and E7.N neighbor-bump: 2.75037 Ang F6.CE2 and E7.N self-bump: 2.50282 Ang F6.CG and F6.C self-bump: 1.30288 Ang F6.CA and F6.CB T0172 58 :FARRIARKIVENR 1hyeA 183 :VPLLSATSIGGIP Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.62872 Ang I10.O and N13.OD1 other bump:2.86074 Ang I10.C and N13.OD1 other bump:3.0045 Ang K9.CG and E12.C other bump:2.97321 Ang K9.CD and E12.C other bump:3.0691 Ang K9.CD and E12.CB other bump:2.65942 Ang K9.CG and E12.CA other bump:2.32391 Ang K9.CD and E12.CA other bump:2.7743 Ang K9.CG and E12.N other bump:3.02337 Ang K9.CD and E12.N neighbor-bump: 2.66945 Ang I10.C and V11.CB other bump:3.1202 Ang R5.CA and R8.CD T0172 71 :PLNTTLDLVKAVREALPSYE 1hyeA 200 :ERFKELPIDEIIEDVKTKGE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 2.82587 Ang Y20.CZ and E21.OE2 other bump:2.26226 Ang A16.O and Y20.CB other bump:1.98902 Ang R14.O and P18.CD other bump:3.12338 Ang R14.C and P18.CD neighbor-bump: 2.67998 Ang L17.N and P18.CD neighbor-bump: 2.72233 Ang L17.CB and P18.CD self-bump: 1.36517 Ang P18.N and P18.CD other bump:2.34789 Ang R14.O and P18.CG T0172 97 :HFATKTFQAIRIYVNRELENL 1hyeA 231 :GPAAAILNVVRCIVNNEKRLL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.66614 Ang I13.CD1 and L22.CD1 other bump:2.88397 Ang I13.CD1 and E20.OE2 other bump:2.44847 Ang E18.OE2 and E20.OE1 other bump:1.95906 Ang F8.CE1 and R12.NH2 other bump:2.29954 Ang F8.CZ and R12.NH2 other bump:2.58977 Ang F8.CE1 and R12.NH1 other bump:2.77216 Ang F8.CD1 and R12.CZ other bump:1.81281 Ang F8.CE1 and R12.CZ other bump:2.79496 Ang F8.CZ and R12.CZ other bump:2.86717 Ang F8.CD1 and R12.NE other bump:2.13262 Ang F8.CE1 and R12.NE other bump:2.98381 Ang F8.CZ and R12.NE other bump:2.82477 Ang F8.CZ and R12.CD Number of specific fragments= 4 total=123 Number of alignments=33 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-local-adpstyle1.pw.a2m.gz # 1hyeA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-local-adpstyle1.pw.a2m.gz # found chain 1hyeA in template set T0172 46 :ARIIFEYGEEK 1hyeA 172 :TRIIGEHGDSM Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.38889 Ang E7.O and K12.CG neighbor-bump: 2.97938 Ang F6.CE2 and E7.CG neighbor-bump: 2.37835 Ang F6.CD2 and E7.CB neighbor-bump: 1.82573 Ang F6.CE2 and E7.CB neighbor-bump: 2.69339 Ang F6.CZ and E7.CB neighbor-bump: 2.62285 Ang F6.CD2 and E7.CA neighbor-bump: 2.77548 Ang F6.CE2 and E7.CA neighbor-bump: 2.1109 Ang F6.CG and E7.N neighbor-bump: 1.89898 Ang F6.CD2 and E7.N neighbor-bump: 2.75037 Ang F6.CE2 and E7.N self-bump: 2.50282 Ang F6.CG and F6.C self-bump: 1.30288 Ang F6.CA and F6.CB T0172 58 :FARRIARKIVENR 1hyeA 183 :VPLLSATSIGGIP Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.62872 Ang I10.O and N13.OD1 other bump:2.86074 Ang I10.C and N13.OD1 other bump:3.0045 Ang K9.CG and E12.C other bump:2.97321 Ang K9.CD and E12.C other bump:3.0691 Ang K9.CD and E12.CB other bump:2.65942 Ang K9.CG and E12.CA other bump:2.32391 Ang K9.CD and E12.CA other bump:2.7743 Ang K9.CG and E12.N other bump:3.02337 Ang K9.CD and E12.N neighbor-bump: 2.66945 Ang I10.C and V11.CB other bump:3.1202 Ang R5.CA and R8.CD T0172 71 :PLNTTLDLVKAVREALPSYE 1hyeA 200 :ERFKELPIDEIIEDVKTKGE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 2.82587 Ang Y20.CZ and E21.OE2 other bump:2.26226 Ang A16.O and Y20.CB other bump:1.98902 Ang R14.O and P18.CD other bump:3.12338 Ang R14.C and P18.CD neighbor-bump: 2.67998 Ang L17.N and P18.CD neighbor-bump: 2.72233 Ang L17.CB and P18.CD self-bump: 1.36517 Ang P18.N and P18.CD other bump:2.34789 Ang R14.O and P18.CG T0172 97 :HFATKTFQAIRIYVNRELENL 1hyeA 231 :GPAAAILNVVRCIVNNEKRLL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.66614 Ang I13.CD1 and L22.CD1 other bump:2.88397 Ang I13.CD1 and E20.OE2 other bump:2.44847 Ang E18.OE2 and E20.OE1 other bump:1.95906 Ang F8.CE1 and R12.NH2 other bump:2.29954 Ang F8.CZ and R12.NH2 other bump:2.58977 Ang F8.CE1 and R12.NH1 other bump:2.77216 Ang F8.CD1 and R12.CZ other bump:1.81281 Ang F8.CE1 and R12.CZ other bump:2.79496 Ang F8.CZ and R12.CZ other bump:2.86717 Ang F8.CD1 and R12.NE other bump:2.13262 Ang F8.CE1 and R12.NE other bump:2.98381 Ang F8.CZ and R12.NE other bump:2.82477 Ang F8.CZ and R12.CD Number of specific fragments= 4 total=127 Number of alignments=34 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-local-adpstyle1.pw.a2m.gz # 1ecmA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-local-adpstyle1.pw.a2m.gz # found chain 1ecmA in template set T0172 65 :KIVENRPLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAI 1ecmA 39 :KLLSHRPVRDIDRERDLLERLITLGKAHHLDAHYITRLFQLI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.78513 Ang Y26.OH and F40.CZ other bump:2.02808 Ang Y26.OH and F40.CE1 other bump:2.63431 Ang Y26.OH and F40.CD1 other bump:3.01004 Ang Y26.CD2 and A36.CB other bump:2.84899 Ang Y26.CE2 and A36.CB other bump:3.01472 Ang L23.CD2 and R33.CA other bump:2.16035 Ang Y26.CD1 and R29.NH2 other bump:2.33617 Ang Y26.CE1 and R29.NH2 other bump:3.03917 Ang A22.CB and Y26.CE2 other bump:2.25071 Ang A22.O and Y26.CD2 other bump:2.75432 Ang A22.C and Y26.CD2 other bump:2.36347 Ang A22.O and Y26.CG other bump:1.5604 Ang R20.O and P24.CD other bump:2.72106 Ang R20.C and P24.CD other bump:3.00194 Ang E21.C and P24.CD other bump:2.19388 Ang R20.O and P24.CG other bump:2.96737 Ang V16.CG1 and R20.NH2 other bump:2.86529 Ang V16.CG1 and R20.CZ other bump:3.1262 Ang V16.CG1 and R20.NE Number of specific fragments= 1 total=128 Number of alignments=35 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-local-adpstyle5.pw.a2m.gz # 1ecmA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-local-adpstyle5.pw.a2m.gz # found chain 1ecmA in template set T0172 49 :IFEYGEEKRFARRIARK 1ecmA 22 :LALLAERRELAVEVGKA Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.65887 Ang R14.NH1 and R17.NH1 other bump:2.84112 Ang R14.NE and R17.NH1 other bump:1.95751 Ang R14.CZ and R17.NH1 other bump:2.5131 Ang R14.NH2 and R17.NH1 other bump:2.02555 Ang R14.NH1 and R17.CZ other bump:2.81207 Ang R14.CZ and R17.CZ other bump:2.04454 Ang R14.NH1 and R17.NE other bump:3.22942 Ang R14.CZ and R17.NE other bump:1.82256 Ang R14.NH1 and R17.CD other bump:3.12456 Ang R14.CZ and R17.CD other bump:2.79852 Ang E7.OE2 and F11.CZ other bump:3.0811 Ang G1.C and Y5.CE1 other bump:2.16276 Ang G1.O and Y5.CD1 T0172 66 :IVENRPLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAI 1ecmA 40 :LLSHRPVRDIDRERDLLERLITLGKAHHLDAHYITRLFQLI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.78513 Ang Y25.OH and F39.CZ other bump:2.02808 Ang Y25.OH and F39.CE1 other bump:2.63431 Ang Y25.OH and F39.CD1 other bump:3.01004 Ang Y25.CD2 and A35.CB other bump:2.84899 Ang Y25.CE2 and A35.CB other bump:3.01472 Ang L22.CD2 and R32.CA other bump:2.16035 Ang Y25.CD1 and R28.NH2 other bump:2.33617 Ang Y25.CE1 and R28.NH2 other bump:3.03917 Ang A21.CB and Y25.CE2 other bump:2.25071 Ang A21.O and Y25.CD2 other bump:2.75432 Ang A21.C and Y25.CD2 other bump:2.36347 Ang A21.O and Y25.CG other bump:1.5604 Ang R19.O and P23.CD other bump:2.72106 Ang R19.C and P23.CD other bump:3.00194 Ang E20.C and P23.CD other bump:2.19388 Ang R19.O and P23.CG other bump:2.96737 Ang V15.CG1 and R19.NH2 other bump:2.86529 Ang V15.CG1 and R19.CZ other bump:3.1262 Ang V15.CG1 and R19.NE Number of specific fragments= 2 total=130 Number of alignments=36 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/T0172-1cwyA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1cwyA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/T0172-1cwyA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1cwyA in template set T0172 9 :ENRGFTFEREE 1cwyA 78 :AERGYVRLEDP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0172 26 :DLESEVTAQKVLNELPEEELARIIFEYGEEKRFARRIARKIVENR 1cwyA 89 :GFPQGRVDYGLLYAWKWPALKEAFRGFKEKASPEEREAFAAFRER Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.54165 Ang F34.O and I38.CD1 other bump:2.41567 Ang Y28.OH and R36.C other bump:2.30463 Ang Y28.CD1 and R36.NH2 other bump:2.602 Ang Y28.CE1 and R36.NH2 other bump:1.95411 Ang K32.CD and R36.NH2 other bump:0.992275 Ang K32.CE and R36.NH2 other bump:2.32629 Ang K32.NZ and R36.NH2 other bump:1.4544 Ang K32.CD and R36.NH1 other bump:2.16269 Ang K32.CE and R36.NH1 other bump:2.86309 Ang K32.NZ and R36.NH1 other bump:2.76872 Ang Y28.CD1 and R36.CZ other bump:2.6227 Ang Y28.CE1 and R36.CZ other bump:2.98594 Ang K32.CG and R36.CZ other bump:1.46867 Ang K32.CD and R36.CZ other bump:1.72077 Ang K32.CE and R36.CZ other bump:2.98903 Ang K32.NZ and R36.CZ other bump:2.41193 Ang K32.CD and R36.NE other bump:2.88884 Ang K32.CE and R36.NE other bump:2.58482 Ang Y28.OH and R36.CB other bump:2.79572 Ang Y28.CA and K32.NZ other bump:2.7606 Ang Y28.CB and K32.NZ other bump:2.46751 Ang Y28.CD1 and K32.NZ other bump:2.82889 Ang Y28.CG and K32.CE other bump:1.68552 Ang Y28.CD1 and K32.CE other bump:2.42916 Ang Y28.CE1 and K32.CE other bump:3.01753 Ang Y28.CG and K32.CD other bump:1.83546 Ang Y28.CD1 and K32.CD other bump:1.93849 Ang Y28.CE1 and K32.CD other bump:3.22441 Ang Y28.CA and K32.CG other bump:2.26891 Ang Y28.CG and K32.CG other bump:1.76309 Ang Y28.CD1 and K32.CG other bump:2.05466 Ang Y28.CE1 and K32.CG other bump:2.84631 Ang Y28.CD2 and K32.CG other bump:3.23174 Ang Y28.C and K32.CG other bump:2.96734 Ang Y28.CE1 and K32.CB other bump:2.16011 Ang E15.O and E19.OE1 other bump:2.74668 Ang E4.OE1 and V7.CG1 T0172 71 :PLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAIR 1cwyA 136 :WWLEDYALFMALKGAHGGLPWNRWPLPLRKREEKALR Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.81024 Ang R14.N and R25.NH2 other bump:2.25652 Ang V13.CB and R25.NH1 other bump:1.38823 Ang V13.CG1 and R25.NH1 other bump:2.50532 Ang V13.C and R25.NH1 other bump:2.44299 Ang V13.CG1 and R25.CZ other bump:3.17248 Ang V13.CG1 and R25.NE other bump:2.53242 Ang L17.O and Y20.CD1 other bump:2.64998 Ang P18.CG and Y20.CD1 neighbor-bump: 2.06041 Ang L17.O and P18.CD neighbor-bump: 1.08712 Ang L17.C and P18.CD self-bump: 1.32993 Ang P18.N and P18.CD neighbor-bump: 2.61862 Ang L17.N and P18.CD neighbor-bump: 1.68396 Ang L17.CA and P18.CD neighbor-bump: 1.62504 Ang L17.O and P18.CG neighbor-bump: 1.69414 Ang L17.C and P18.CG self-bump: 2.14137 Ang P18.N and P18.CG neighbor-bump: 2.75738 Ang L17.CA and P18.CG neighbor-bump: 2.57053 Ang L17.C and P18.CB other bump:2.53353 Ang T6.O and V10.CG2 Number of specific fragments= 3 total=133 Number of alignments=37 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/T0172-1cwyA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1cwyA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/T0172-1cwyA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1cwyA in template set T0172 10 :NRGFTFEREE 1cwyA 79 :ERGYVRLEDP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0172 26 :DLESEVTAQKVLNELPEEELARIIFEYGEEKRFARRIARKIVENR 1cwyA 89 :GFPQGRVDYGLLYAWKWPALKEAFRGFKEKASPEEREAFAAFRER Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.54165 Ang F34.O and I38.CD1 other bump:2.41567 Ang Y28.OH and R36.C other bump:2.30463 Ang Y28.CD1 and R36.NH2 other bump:2.602 Ang Y28.CE1 and R36.NH2 other bump:1.95411 Ang K32.CD and R36.NH2 other bump:0.992275 Ang K32.CE and R36.NH2 other bump:2.32629 Ang K32.NZ and R36.NH2 other bump:1.4544 Ang K32.CD and R36.NH1 other bump:2.16269 Ang K32.CE and R36.NH1 other bump:2.86309 Ang K32.NZ and R36.NH1 other bump:2.76872 Ang Y28.CD1 and R36.CZ other bump:2.6227 Ang Y28.CE1 and R36.CZ other bump:2.98594 Ang K32.CG and R36.CZ other bump:1.46867 Ang K32.CD and R36.CZ other bump:1.72077 Ang K32.CE and R36.CZ other bump:2.98903 Ang K32.NZ and R36.CZ other bump:2.41193 Ang K32.CD and R36.NE other bump:2.88884 Ang K32.CE and R36.NE other bump:2.58482 Ang Y28.OH and R36.CB other bump:2.79572 Ang Y28.CA and K32.NZ other bump:2.7606 Ang Y28.CB and K32.NZ other bump:2.46751 Ang Y28.CD1 and K32.NZ other bump:2.82889 Ang Y28.CG and K32.CE other bump:1.68552 Ang Y28.CD1 and K32.CE other bump:2.42916 Ang Y28.CE1 and K32.CE other bump:3.01753 Ang Y28.CG and K32.CD other bump:1.83546 Ang Y28.CD1 and K32.CD other bump:1.93849 Ang Y28.CE1 and K32.CD other bump:3.22441 Ang Y28.CA and K32.CG other bump:2.26891 Ang Y28.CG and K32.CG other bump:1.76309 Ang Y28.CD1 and K32.CG other bump:2.05466 Ang Y28.CE1 and K32.CG other bump:2.84631 Ang Y28.CD2 and K32.CG other bump:3.23174 Ang Y28.C and K32.CG other bump:2.96734 Ang Y28.CE1 and K32.CB other bump:2.16011 Ang E15.O and E19.OE1 other bump:2.74668 Ang E4.OE1 and V7.CG1 T0172 71 :PLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAIR 1cwyA 136 :WWLEDYALFMALKGAHGGLPWNRWPLPLRKREEKALR Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.81024 Ang R14.N and R25.NH2 other bump:2.25652 Ang V13.CB and R25.NH1 other bump:1.38823 Ang V13.CG1 and R25.NH1 other bump:2.50532 Ang V13.C and R25.NH1 other bump:2.44299 Ang V13.CG1 and R25.CZ other bump:3.17248 Ang V13.CG1 and R25.NE other bump:2.53242 Ang L17.O and Y20.CD1 other bump:2.64998 Ang P18.CG and Y20.CD1 neighbor-bump: 2.06041 Ang L17.O and P18.CD neighbor-bump: 1.08712 Ang L17.C and P18.CD self-bump: 1.32993 Ang P18.N and P18.CD neighbor-bump: 2.61862 Ang L17.N and P18.CD neighbor-bump: 1.68396 Ang L17.CA and P18.CD neighbor-bump: 1.62504 Ang L17.O and P18.CG neighbor-bump: 1.69414 Ang L17.C and P18.CG self-bump: 2.14137 Ang P18.N and P18.CG neighbor-bump: 2.75738 Ang L17.CA and P18.CG neighbor-bump: 2.57053 Ang L17.C and P18.CB other bump:2.53353 Ang T6.O and V10.CG2 Number of specific fragments= 3 total=136 Number of alignments=38 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1lo0Y/T0172-1lo0Y-vit-adpstyle1.pw.a2m.gz # 1lo0Y read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1lo0Y/T0172-1lo0Y-vit-adpstyle1.pw.a2m.gz # found chain 1lo0Y in template set T0172 3 :TYQLKGENRGFTFEREE 1lo0Y 17 :SLKLSCAASGFSFRNYG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.79495 Ang N9.CG and F14.CZ other bump:1.53054 Ang N9.ND2 and F14.CZ other bump:2.83057 Ang N9.ND2 and F14.CE2 other bump:2.67194 Ang N9.CG and F14.CE1 other bump:1.89908 Ang N9.ND2 and F14.CE1 other bump:2.73251 Ang Y3.CZ and L5.CD2 other bump:1.74453 Ang Y3.CE2 and L5.CD2 T0172 23 :MRMDLESEVTAQKVLNELPEEELARIIFEYGEEKRFARRIARKIV 1lo0Y 34 :MSWVRQTPEKRLEWVASISYGGLIYYPDSIKGRFTISRDIAQNIL Fragment has 74 clashes (null) has 74 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.40485 Ang R40.NH2 and I45.CD1 other bump:1.88771 Ang R40.NE and R43.NH2 other bump:2.80096 Ang R40.CZ and R43.NH2 other bump:2.43158 Ang R40.NH2 and R43.NH1 other bump:3.10845 Ang R40.NE and R43.NH1 other bump:2.08238 Ang R40.NH2 and R43.CZ other bump:1.8695 Ang R40.NE and R43.CZ other bump:2.06885 Ang R40.CZ and R43.CZ other bump:1.93963 Ang R40.NH1 and R43.NE other bump:1.72629 Ang R40.NH2 and R43.NE other bump:2.57575 Ang R40.CD and R43.NE other bump:1.53526 Ang R40.NE and R43.NE other bump:1.13622 Ang R40.CZ and R43.NE other bump:1.50773 Ang R40.NH1 and R43.CD other bump:1.82845 Ang R40.NH2 and R43.CD other bump:2.69781 Ang R40.NE and R43.CD other bump:1.59944 Ang R40.CZ and R43.CD other bump:0.772824 Ang R40.NH1 and R43.CG other bump:1.90069 Ang R40.CZ and R43.CG other bump:1.54523 Ang R40.NH1 and R43.CB other bump:2.33747 Ang R40.NH2 and R43.CB other bump:1.92703 Ang R40.CZ and R43.CB other bump:2.66783 Ang R40.NH1 and R43.CA other bump:2.70705 Ang E23.CG and R39.NH2 other bump:1.95095 Ang E18.O and F37.CZ other bump:2.81564 Ang E18.C and F37.CZ other bump:2.72778 Ang L19.CG and F37.CZ other bump:2.33362 Ang L19.CD2 and F37.CZ other bump:3.06728 Ang A25.CA and F37.CZ other bump:2.97292 Ang R26.N and F37.CZ other bump:2.96957 Ang A25.CB and F37.CZ other bump:2.90791 Ang E18.O and F37.CE2 other bump:2.92154 Ang R26.O and F37.CE2 other bump:2.40987 Ang E18.O and F37.CE1 other bump:2.85076 Ang E18.C and F37.CE1 other bump:3.05849 Ang L19.CA and F37.CE1 other bump:2.61359 Ang L19.CB and F37.CE1 other bump:1.36955 Ang L19.CG and F37.CE1 other bump:2.49406 Ang L19.CD1 and F37.CE1 other bump:1.58902 Ang L19.CD2 and F37.CE1 other bump:2.72431 Ang N17.CB and F37.CD2 other bump:1.77476 Ang L19.CG and F37.CD1 other bump:2.02521 Ang L19.CD1 and F37.CD1 other bump:2.61614 Ang L19.CD2 and F37.CD1 other bump:2.63262 Ang L16.CD1 and K35.NZ self-bump: 1.39223 Ang E33.CA and E33.CB other bump:2.91965 Ang I27.CG2 and G32.CA other bump:2.68226 Ang I27.CG2 and G32.N other bump:2.68595 Ang L16.CD2 and Y31.CZ other bump:2.80647 Ang V15.O and Y31.CE2 other bump:2.90259 Ang L16.CD2 and Y31.CE1 other bump:2.29935 Ang V15.O and I28.CD1 other bump:2.55536 Ang N17.OD1 and I27.CG1 other bump:2.38639 Ang L19.CD2 and A25.CB other bump:2.72453 Ang L19.CD2 and A25.CA other bump:3.14799 Ang P20.CG and L24.C other bump:2.54502 Ang P20.CD and L24.C other bump:2.51107 Ang P20.CG and L24.O other bump:1.48553 Ang P20.CD and L24.O other bump:2.96625 Ang P20.CG and L24.CB other bump:3.22588 Ang P20.CG and L24.CA other bump:3.16635 Ang P20.CD and L24.CA other bump:3.09168 Ang P20.CD and L24.N neighbor-bump: 2.38397 Ang L16.O and N17.CG other bump:2.60308 Ang R3.NH2 and V15.CG2 other bump:3.11933 Ang R3.NH2 and V15.CB other bump:2.93459 Ang R3.NH2 and V15.CA other bump:2.36396 Ang R3.CD and D5.OD2 other bump:2.48086 Ang R3.CD and D5.OD1 other bump:1.43359 Ang R3.NE and D5.OD1 other bump:1.38235 Ang R3.CZ and D5.OD1 other bump:1.94169 Ang R3.NH2 and D5.OD1 other bump:2.70551 Ang R3.CD and D5.CG other bump:2.29165 Ang R3.NE and D5.CG Number of specific fragments= 2 total=138 Number of alignments=39 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1lo0Y/T0172-1lo0Y-vit-adpstyle5.pw.a2m.gz # 1lo0Y read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1lo0Y/T0172-1lo0Y-vit-adpstyle5.pw.a2m.gz # found chain 1lo0Y in template set T0172 3 :TYQLKGENRGFTFEREEPLDMR 1lo0Y 17 :SLKLSCAASGFSFRNYGMSWVR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:3.27953 Ang L20.CD1 and M22.SD other bump:2.79495 Ang N9.CG and F14.CZ other bump:1.53054 Ang N9.ND2 and F14.CZ other bump:2.83057 Ang N9.ND2 and F14.CE2 other bump:2.67194 Ang N9.CG and F14.CE1 other bump:1.89908 Ang N9.ND2 and F14.CE1 other bump:2.73251 Ang Y3.CZ and L5.CD2 other bump:1.74453 Ang Y3.CE2 and L5.CD2 T0172 28 :ESEVTAQKVLNELPEEELARIIFEYGEEKRFARRIARKIVEN 1lo0Y 39 :QTPEKRLEWVASISYGGLIYYPDSIKGRFTISRDIAQNILYL Fragment has 65 clashes (null) has 65 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.47068 Ang K30.NZ and N43.ND2 other bump:2.40485 Ang R35.NH2 and I40.CD1 other bump:1.88771 Ang R35.NE and R38.NH2 other bump:2.80096 Ang R35.CZ and R38.NH2 other bump:2.43158 Ang R35.NH2 and R38.NH1 other bump:3.10845 Ang R35.NE and R38.NH1 other bump:2.08238 Ang R35.NH2 and R38.CZ other bump:1.8695 Ang R35.NE and R38.CZ other bump:2.06885 Ang R35.CZ and R38.CZ other bump:1.93963 Ang R35.NH1 and R38.NE other bump:1.72629 Ang R35.NH2 and R38.NE other bump:2.57575 Ang R35.CD and R38.NE other bump:1.53526 Ang R35.NE and R38.NE other bump:1.13622 Ang R35.CZ and R38.NE other bump:1.50773 Ang R35.NH1 and R38.CD other bump:1.82845 Ang R35.NH2 and R38.CD other bump:2.69781 Ang R35.NE and R38.CD other bump:1.59944 Ang R35.CZ and R38.CD other bump:0.772824 Ang R35.NH1 and R38.CG other bump:1.90069 Ang R35.CZ and R38.CG other bump:1.54523 Ang R35.NH1 and R38.CB other bump:2.33747 Ang R35.NH2 and R38.CB other bump:1.92703 Ang R35.CZ and R38.CB other bump:2.66783 Ang R35.NH1 and R38.CA other bump:2.70705 Ang E18.CG and R34.NH2 other bump:1.95095 Ang E13.O and F32.CZ other bump:2.81564 Ang E13.C and F32.CZ other bump:2.72778 Ang L14.CG and F32.CZ other bump:2.33362 Ang L14.CD2 and F32.CZ other bump:3.06728 Ang A20.CA and F32.CZ other bump:2.97292 Ang R21.N and F32.CZ other bump:2.96957 Ang A20.CB and F32.CZ other bump:2.90791 Ang E13.O and F32.CE2 other bump:2.92154 Ang R21.O and F32.CE2 other bump:2.40987 Ang E13.O and F32.CE1 other bump:2.85076 Ang E13.C and F32.CE1 other bump:3.05849 Ang L14.CA and F32.CE1 other bump:2.61359 Ang L14.CB and F32.CE1 other bump:1.36955 Ang L14.CG and F32.CE1 other bump:2.49406 Ang L14.CD1 and F32.CE1 other bump:1.58902 Ang L14.CD2 and F32.CE1 other bump:2.72431 Ang N12.CB and F32.CD2 other bump:1.77476 Ang L14.CG and F32.CD1 other bump:2.02521 Ang L14.CD1 and F32.CD1 other bump:2.61614 Ang L14.CD2 and F32.CD1 other bump:2.63262 Ang L11.CD1 and K30.NZ self-bump: 1.39223 Ang E28.CA and E28.CB other bump:2.91965 Ang I22.CG2 and G27.CA other bump:2.68226 Ang I22.CG2 and G27.N other bump:2.68595 Ang L11.CD2 and Y26.CZ other bump:2.80647 Ang V10.O and Y26.CE2 other bump:2.90259 Ang L11.CD2 and Y26.CE1 other bump:2.29935 Ang V10.O and I23.CD1 other bump:2.55536 Ang N12.OD1 and I22.CG1 other bump:2.38639 Ang L14.CD2 and A20.CB other bump:2.72453 Ang L14.CD2 and A20.CA other bump:3.14799 Ang P15.CG and L19.C other bump:2.54502 Ang P15.CD and L19.C other bump:2.51107 Ang P15.CG and L19.O other bump:1.48553 Ang P15.CD and L19.O other bump:2.96625 Ang P15.CG and L19.CB other bump:3.22588 Ang P15.CG and L19.CA other bump:3.16635 Ang P15.CD and L19.CA other bump:3.09168 Ang P15.CD and L19.N neighbor-bump: 2.38397 Ang L11.O and N12.CG Number of specific fragments= 2 total=140 Number of alignments=40 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/1ecmA-T0172-local-adpstyle1.pw.a2m.gz # 1ecmA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/1ecmA-T0172-local-adpstyle1.pw.a2m.gz # found chain 1ecmA in template set T0172 21 :LDMRMDLESEVTAQKVLNELPEEELAR 1ecmA 25 :LAERRELAVEVGKAKLLSHRPVRDIDR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.99107 Ang S10.CA and T13.CG2 other bump:2.03199 Ang S10.O and T13.CG2 other bump:2.81692 Ang S10.C and T13.CG2 Number of specific fragments= 1 total=141 Number of alignments=41 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/1ecmA-T0172-local-adpstyle5.pw.a2m.gz # 1ecmA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/1ecmA-T0172-local-adpstyle5.pw.a2m.gz # found chain 1ecmA in template set T0172 20 :PLDMRMDLESEVTAQKVLNELPEEELARI 1ecmA 24 :LLAERRELAVEVGKAKLLSHRPVRDIDRE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.60757 Ang E25.OE1 and I30.CD1 other bump:2.99107 Ang S11.CA and T14.CG2 other bump:2.03199 Ang S11.O and T14.CG2 other bump:2.81692 Ang S11.C and T14.CG2 self-bump: 1.39404 Ang P2.N and P2.CD T0172 49 :IFEYGEEKRFA 1ecmA 63 :GKAHHLDAHYI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.82434 Ang I2.CD1 and A12.CB other bump:3.01954 Ang I2.CG2 and E7.C other bump:2.48432 Ang I2.CG2 and E7.O other bump:2.29211 Ang Y5.CB and E7.OE1 other bump:3.00457 Ang Y5.CB and E7.CD Number of specific fragments= 2 total=143 Number of alignments=42 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-vit-adpstyle1.pw.a2m.gz # 1ecmA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-vit-adpstyle1.pw.a2m.gz # found chain 1ecmA in template set T0172 65 :KIVENRPLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAI 1ecmA 39 :KLLSHRPVRDIDRERDLLERLITLGKAHHLDAHYITRLFQLI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.78513 Ang Y26.OH and F40.CZ other bump:2.02808 Ang Y26.OH and F40.CE1 other bump:2.63431 Ang Y26.OH and F40.CD1 other bump:3.01004 Ang Y26.CD2 and A36.CB other bump:2.84899 Ang Y26.CE2 and A36.CB other bump:3.01472 Ang L23.CD2 and R33.CA other bump:2.16035 Ang Y26.CD1 and R29.NH2 other bump:2.33617 Ang Y26.CE1 and R29.NH2 other bump:3.03917 Ang A22.CB and Y26.CE2 other bump:2.25071 Ang A22.O and Y26.CD2 other bump:2.75432 Ang A22.C and Y26.CD2 other bump:2.36347 Ang A22.O and Y26.CG other bump:1.5604 Ang R20.O and P24.CD other bump:2.72106 Ang R20.C and P24.CD other bump:3.00194 Ang E21.C and P24.CD other bump:2.19388 Ang R20.O and P24.CG other bump:2.96737 Ang V16.CG1 and R20.NH2 other bump:2.86529 Ang V16.CG1 and R20.CZ other bump:3.1262 Ang V16.CG1 and R20.NE Number of specific fragments= 1 total=144 Number of alignments=43 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-vit-adpstyle5.pw.a2m.gz # 1ecmA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1ecmA/T0172-1ecmA-vit-adpstyle5.pw.a2m.gz # found chain 1ecmA in template set T0172 49 :IFEYGEEKRFARRIARK 1ecmA 22 :LALLAERRELAVEVGKA Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.65887 Ang R14.NH1 and R17.NH1 other bump:2.84112 Ang R14.NE and R17.NH1 other bump:1.95751 Ang R14.CZ and R17.NH1 other bump:2.5131 Ang R14.NH2 and R17.NH1 other bump:2.02555 Ang R14.NH1 and R17.CZ other bump:2.81207 Ang R14.CZ and R17.CZ other bump:2.04454 Ang R14.NH1 and R17.NE other bump:3.22942 Ang R14.CZ and R17.NE other bump:1.82256 Ang R14.NH1 and R17.CD other bump:3.12456 Ang R14.CZ and R17.CD other bump:2.79852 Ang E7.OE2 and F11.CZ other bump:3.0811 Ang G1.C and Y5.CE1 other bump:2.16276 Ang G1.O and Y5.CD1 T0172 66 :IVENRPLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAI 1ecmA 40 :LLSHRPVRDIDRERDLLERLITLGKAHHLDAHYITRLFQLI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.78513 Ang Y25.OH and F39.CZ other bump:2.02808 Ang Y25.OH and F39.CE1 other bump:2.63431 Ang Y25.OH and F39.CD1 other bump:3.01004 Ang Y25.CD2 and A35.CB other bump:2.84899 Ang Y25.CE2 and A35.CB other bump:3.01472 Ang L22.CD2 and R32.CA other bump:2.16035 Ang Y25.CD1 and R28.NH2 other bump:2.33617 Ang Y25.CE1 and R28.NH2 other bump:3.03917 Ang A21.CB and Y25.CE2 other bump:2.25071 Ang A21.O and Y25.CD2 other bump:2.75432 Ang A21.C and Y25.CD2 other bump:2.36347 Ang A21.O and Y25.CG other bump:1.5604 Ang R19.O and P23.CD other bump:2.72106 Ang R19.C and P23.CD other bump:3.00194 Ang E20.C and P23.CD other bump:2.19388 Ang R19.O and P23.CG other bump:2.96737 Ang V15.CG1 and R19.NH2 other bump:2.86529 Ang V15.CG1 and R19.CZ other bump:3.1262 Ang V15.CG1 and R19.NE Number of specific fragments= 2 total=146 Number of alignments=44 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1hyeA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1hyeA in template set T0172 75 :TLDLVKAVREALPSYE 1hyeA 207 :IDEIIEDVKTKGEQII Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.51208 Ang V9.CB and L13.CD2 other bump:1.55043 Ang V9.CG1 and L13.CD2 other bump:2.57748 Ang V9.CA and L13.CD2 other bump:2.47463 Ang V9.C and L13.CD2 other bump:2.0578 Ang V9.O and L13.CD2 other bump:2.65424 Ang V9.C and L13.CD1 other bump:2.96952 Ang R10.CA and L13.CD1 other bump:1.98854 Ang V9.O and L13.CD1 other bump:2.81172 Ang V9.CG1 and L13.CG other bump:2.99946 Ang V9.CA and L13.CG other bump:2.07892 Ang V9.C and L13.CG other bump:3.08035 Ang R10.N and L13.CG other bump:1.03408 Ang V9.O and L13.CG other bump:2.23631 Ang V9.O and L13.CB T0172 97 :HFATKTFQAIRIYVNRELENL 1hyeA 231 :GPAAAILNVVRCIVNNEKRLL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.66614 Ang I13.CD1 and L22.CD1 other bump:2.88397 Ang I13.CD1 and E20.OE2 other bump:2.44847 Ang E18.OE2 and E20.OE1 other bump:1.95906 Ang F8.CE1 and R12.NH2 other bump:2.29954 Ang F8.CZ and R12.NH2 other bump:2.58977 Ang F8.CE1 and R12.NH1 other bump:2.77216 Ang F8.CD1 and R12.CZ other bump:1.81281 Ang F8.CE1 and R12.CZ other bump:2.79496 Ang F8.CZ and R12.CZ other bump:2.86717 Ang F8.CD1 and R12.NE other bump:2.13262 Ang F8.CE1 and R12.NE other bump:2.98381 Ang F8.CZ and R12.NE other bump:2.82477 Ang F8.CZ and R12.CD Number of specific fragments= 2 total=148 Number of alignments=45 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1hyeA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1hyeA in template set T0172 75 :TLDLVKAVREALPSYE 1hyeA 207 :IDEIIEDVKTKGEQII Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.51208 Ang V9.CB and L13.CD2 other bump:1.55043 Ang V9.CG1 and L13.CD2 other bump:2.57748 Ang V9.CA and L13.CD2 other bump:2.47463 Ang V9.C and L13.CD2 other bump:2.0578 Ang V9.O and L13.CD2 other bump:2.65424 Ang V9.C and L13.CD1 other bump:2.96952 Ang R10.CA and L13.CD1 other bump:1.98854 Ang V9.O and L13.CD1 other bump:2.81172 Ang V9.CG1 and L13.CG other bump:2.99946 Ang V9.CA and L13.CG other bump:2.07892 Ang V9.C and L13.CG other bump:3.08035 Ang R10.N and L13.CG other bump:1.03408 Ang V9.O and L13.CG other bump:2.23631 Ang V9.O and L13.CB T0172 97 :HFATKTFQAIRIYVNRELENL 1hyeA 231 :GPAAAILNVVRCIVNNEKRLL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.66614 Ang I13.CD1 and L22.CD1 other bump:2.88397 Ang I13.CD1 and E20.OE2 other bump:2.44847 Ang E18.OE2 and E20.OE1 other bump:1.95906 Ang F8.CE1 and R12.NH2 other bump:2.29954 Ang F8.CZ and R12.NH2 other bump:2.58977 Ang F8.CE1 and R12.NH1 other bump:2.77216 Ang F8.CD1 and R12.CZ other bump:1.81281 Ang F8.CE1 and R12.CZ other bump:2.79496 Ang F8.CZ and R12.CZ other bump:2.86717 Ang F8.CD1 and R12.NE other bump:2.13262 Ang F8.CE1 and R12.NE other bump:2.98381 Ang F8.CZ and R12.NE other bump:2.82477 Ang F8.CZ and R12.CD Number of specific fragments= 2 total=150 Number of alignments=46 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/T0172-1cwyA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1cwyA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/T0172-1cwyA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1cwyA in template set T0172 9 :ENRGFTFEREEPL 1cwyA 78 :AERGYVRLEDPGF Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.06603 Ang E12.CA and P13.CD neighbor-bump: 0.740652 Ang E12.O and P13.CD neighbor-bump: 0.641234 Ang E12.C and P13.CD self-bump: 2.25334 Ang P13.CA and P13.CD neighbor-bump: 1.69066 Ang E12.O and P13.CG neighbor-bump: 2.03289 Ang E12.C and P13.CG T0172 28 :ESEVTAQKVLNELPEEELARIIFEYGEEKRFARRIARKIVENR 1cwyA 91 :PQGRVDYGLLYAWKWPALKEAFRGFKEKASPEEREAFAAFRER Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:2.54165 Ang F32.O and I36.CD1 other bump:2.41567 Ang Y26.OH and R34.C other bump:2.30463 Ang Y26.CD1 and R34.NH2 other bump:2.602 Ang Y26.CE1 and R34.NH2 other bump:1.95411 Ang K30.CD and R34.NH2 other bump:0.992275 Ang K30.CE and R34.NH2 other bump:2.32629 Ang K30.NZ and R34.NH2 other bump:1.4544 Ang K30.CD and R34.NH1 other bump:2.16269 Ang K30.CE and R34.NH1 other bump:2.86309 Ang K30.NZ and R34.NH1 other bump:2.76872 Ang Y26.CD1 and R34.CZ other bump:2.6227 Ang Y26.CE1 and R34.CZ other bump:2.98594 Ang K30.CG and R34.CZ other bump:1.46867 Ang K30.CD and R34.CZ other bump:1.72077 Ang K30.CE and R34.CZ other bump:2.98903 Ang K30.NZ and R34.CZ other bump:2.41193 Ang K30.CD and R34.NE other bump:2.88884 Ang K30.CE and R34.NE other bump:2.58482 Ang Y26.OH and R34.CB other bump:2.79572 Ang Y26.CA and K30.NZ other bump:2.7606 Ang Y26.CB and K30.NZ other bump:2.46751 Ang Y26.CD1 and K30.NZ other bump:2.82889 Ang Y26.CG and K30.CE other bump:1.68552 Ang Y26.CD1 and K30.CE other bump:2.42916 Ang Y26.CE1 and K30.CE other bump:3.01753 Ang Y26.CG and K30.CD other bump:1.83546 Ang Y26.CD1 and K30.CD other bump:1.93849 Ang Y26.CE1 and K30.CD other bump:3.22441 Ang Y26.CA and K30.CG other bump:2.26891 Ang Y26.CG and K30.CG other bump:1.76309 Ang Y26.CD1 and K30.CG other bump:2.84631 Ang Y26.CD2 and K30.CG other bump:2.05466 Ang Y26.CE1 and K30.CG other bump:3.23174 Ang Y26.C and K30.CG other bump:2.96734 Ang Y26.CE1 and K30.CB other bump:2.16011 Ang E13.O and E17.OE1 other bump:2.91477 Ang E2.OE1 and A7.CB T0172 71 :PLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAIR 1cwyA 136 :WWLEDYALFMALKGAHGGLPWNRWPLPLRKREEKALR Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.81024 Ang R14.N and R25.NH2 other bump:2.25652 Ang V13.CB and R25.NH1 other bump:1.38823 Ang V13.CG1 and R25.NH1 other bump:2.50532 Ang V13.C and R25.NH1 other bump:2.44299 Ang V13.CG1 and R25.CZ other bump:3.17248 Ang V13.CG1 and R25.NE other bump:2.53242 Ang L17.O and Y20.CD1 other bump:2.64998 Ang P18.CG and Y20.CD1 neighbor-bump: 2.06041 Ang L17.O and P18.CD neighbor-bump: 1.08712 Ang L17.C and P18.CD self-bump: 1.32993 Ang P18.N and P18.CD neighbor-bump: 2.61862 Ang L17.N and P18.CD neighbor-bump: 1.68396 Ang L17.CA and P18.CD neighbor-bump: 1.62504 Ang L17.O and P18.CG neighbor-bump: 1.69414 Ang L17.C and P18.CG self-bump: 2.14137 Ang P18.N and P18.CG neighbor-bump: 2.75738 Ang L17.CA and P18.CG neighbor-bump: 2.57053 Ang L17.C and P18.CB other bump:2.53353 Ang T6.O and V10.CG2 Number of specific fragments= 3 total=153 Number of alignments=47 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/T0172-1cwyA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1cwyA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1cwyA/T0172-1cwyA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1cwyA in template set T0172 9 :ENRGFTFEREEPLD 1cwyA 78 :AERGYVRLEDPGFP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.06603 Ang E12.CA and P13.CD neighbor-bump: 0.740652 Ang E12.O and P13.CD neighbor-bump: 0.641234 Ang E12.C and P13.CD self-bump: 2.25334 Ang P13.CA and P13.CD neighbor-bump: 1.69066 Ang E12.O and P13.CG neighbor-bump: 2.03289 Ang E12.C and P13.CG T0172 29 :SEVTAQKVLNELPEEELARIIFEYGEEKRFARRIARKIVENR 1cwyA 92 :QGRVDYGLLYAWKWPALKEAFRGFKEKASPEEREAFAAFRER Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.54165 Ang F31.O and I35.CD1 other bump:2.41567 Ang Y25.OH and R33.C other bump:2.30463 Ang Y25.CD1 and R33.NH2 other bump:2.602 Ang Y25.CE1 and R33.NH2 other bump:1.95411 Ang K29.CD and R33.NH2 other bump:0.992275 Ang K29.CE and R33.NH2 other bump:2.32629 Ang K29.NZ and R33.NH2 other bump:1.4544 Ang K29.CD and R33.NH1 other bump:2.16269 Ang K29.CE and R33.NH1 other bump:2.86309 Ang K29.NZ and R33.NH1 other bump:2.76872 Ang Y25.CD1 and R33.CZ other bump:2.6227 Ang Y25.CE1 and R33.CZ other bump:2.98594 Ang K29.CG and R33.CZ other bump:1.46867 Ang K29.CD and R33.CZ other bump:1.72077 Ang K29.CE and R33.CZ other bump:2.98903 Ang K29.NZ and R33.CZ other bump:2.41193 Ang K29.CD and R33.NE other bump:2.88884 Ang K29.CE and R33.NE other bump:2.58482 Ang Y25.OH and R33.CB other bump:2.79572 Ang Y25.CA and K29.NZ other bump:2.7606 Ang Y25.CB and K29.NZ other bump:2.46751 Ang Y25.CD1 and K29.NZ other bump:2.82889 Ang Y25.CG and K29.CE other bump:1.68552 Ang Y25.CD1 and K29.CE other bump:2.42916 Ang Y25.CE1 and K29.CE other bump:3.01753 Ang Y25.CG and K29.CD other bump:1.83546 Ang Y25.CD1 and K29.CD other bump:1.93849 Ang Y25.CE1 and K29.CD other bump:3.22441 Ang Y25.CA and K29.CG other bump:2.26891 Ang Y25.CG and K29.CG other bump:1.76309 Ang Y25.CD1 and K29.CG other bump:2.84631 Ang Y25.CD2 and K29.CG other bump:2.05466 Ang Y25.CE1 and K29.CG other bump:3.23174 Ang Y25.C and K29.CG other bump:2.96734 Ang Y25.CE1 and K29.CB other bump:2.16011 Ang E12.O and E16.OE1 T0172 71 :PLNTTLDLVKAVREALPSYEIRRRKRHFATKTFQAIR 1cwyA 136 :WWLEDYALFMALKGAHGGLPWNRWPLPLRKREEKALR Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.81024 Ang R14.N and R25.NH2 other bump:2.25652 Ang V13.CB and R25.NH1 other bump:1.38823 Ang V13.CG1 and R25.NH1 other bump:2.50532 Ang V13.C and R25.NH1 other bump:2.44299 Ang V13.CG1 and R25.CZ other bump:3.17248 Ang V13.CG1 and R25.NE other bump:2.53242 Ang L17.O and Y20.CD1 other bump:2.64998 Ang P18.CG and Y20.CD1 neighbor-bump: 2.06041 Ang L17.O and P18.CD neighbor-bump: 1.08712 Ang L17.C and P18.CD self-bump: 1.32993 Ang P18.N and P18.CD neighbor-bump: 2.61862 Ang L17.N and P18.CD neighbor-bump: 1.68396 Ang L17.CA and P18.CD neighbor-bump: 1.62504 Ang L17.O and P18.CG neighbor-bump: 1.69414 Ang L17.C and P18.CG self-bump: 2.14137 Ang P18.N and P18.CG neighbor-bump: 2.75738 Ang L17.CA and P18.CG neighbor-bump: 2.57053 Ang L17.C and P18.CB other bump:2.53353 Ang T6.O and V10.CG2 Number of specific fragments= 3 total=156 Number of alignments=48 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-vit-adpstyle5.pw.a2m.gz # 1hyeA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-vit-adpstyle5.pw.a2m.gz # found chain 1hyeA in template set T0172 46 :ARIIFEYGEEK 1hyeA 172 :TRIIGEHGDSM Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.38889 Ang E7.O and K12.CG neighbor-bump: 2.97938 Ang F6.CE2 and E7.CG neighbor-bump: 2.37835 Ang F6.CD2 and E7.CB neighbor-bump: 1.82573 Ang F6.CE2 and E7.CB neighbor-bump: 2.69339 Ang F6.CZ and E7.CB neighbor-bump: 2.62285 Ang F6.CD2 and E7.CA neighbor-bump: 2.77548 Ang F6.CE2 and E7.CA neighbor-bump: 2.1109 Ang F6.CG and E7.N neighbor-bump: 1.89898 Ang F6.CD2 and E7.N neighbor-bump: 2.75037 Ang F6.CE2 and E7.N self-bump: 2.50282 Ang F6.CG and F6.C self-bump: 1.30288 Ang F6.CA and F6.CB T0172 58 :FARRIARKIVENR 1hyeA 183 :VPLLSATSIGGIP Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.62872 Ang I10.O and N13.OD1 other bump:2.86074 Ang I10.C and N13.OD1 other bump:3.0045 Ang K9.CG and E12.C other bump:2.97321 Ang K9.CD and E12.C other bump:3.0691 Ang K9.CD and E12.CB other bump:2.65942 Ang K9.CG and E12.CA other bump:2.32391 Ang K9.CD and E12.CA other bump:2.7743 Ang K9.CG and E12.N other bump:3.02337 Ang K9.CD and E12.N neighbor-bump: 2.66945 Ang I10.C and V11.CB other bump:3.1202 Ang R5.CA and R8.CD T0172 71 :PLNTTLDLVKAVREALPSYE 1hyeA 200 :ERFKELPIDEIIEDVKTKGE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 2.82587 Ang Y20.CZ and E21.OE2 other bump:2.26226 Ang A16.O and Y20.CB other bump:1.98902 Ang R14.O and P18.CD other bump:3.12338 Ang R14.C and P18.CD neighbor-bump: 2.67998 Ang L17.N and P18.CD neighbor-bump: 2.72233 Ang L17.CB and P18.CD self-bump: 1.36517 Ang P18.N and P18.CD other bump:2.34789 Ang R14.O and P18.CG T0172 97 :HFATKTFQAIRIYVNRELENL 1hyeA 231 :GPAAAILNVVRCIVNNEKRLL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.66614 Ang I13.CD1 and L22.CD1 other bump:2.88397 Ang I13.CD1 and E20.OE2 other bump:2.44847 Ang E18.OE2 and E20.OE1 other bump:1.95906 Ang F8.CE1 and R12.NH2 other bump:2.29954 Ang F8.CZ and R12.NH2 other bump:2.58977 Ang F8.CE1 and R12.NH1 other bump:2.77216 Ang F8.CD1 and R12.CZ other bump:1.81281 Ang F8.CE1 and R12.CZ other bump:2.79496 Ang F8.CZ and R12.CZ other bump:2.86717 Ang F8.CD1 and R12.NE other bump:2.13262 Ang F8.CE1 and R12.NE other bump:2.98381 Ang F8.CZ and R12.NE other bump:2.82477 Ang F8.CZ and R12.CD Number of specific fragments= 4 total=160 Number of alignments=49 # Reading fragments from alignment file # T0172 read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-vit-adpstyle1.pw.a2m.gz # 1hyeA read from /projects/compbio/experiments/casp5/t0172/t0172-106-222/1hyeA/T0172-1hyeA-vit-adpstyle1.pw.a2m.gz # found chain 1hyeA in template set T0172 46 :ARIIFEYGEEK 1hyeA 172 :TRIIGEHGDSM Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.38889 Ang E7.O and K12.CG neighbor-bump: 2.97938 Ang F6.CE2 and E7.CG neighbor-bump: 2.37835 Ang F6.CD2 and E7.CB neighbor-bump: 1.82573 Ang F6.CE2 and E7.CB neighbor-bump: 2.69339 Ang F6.CZ and E7.CB neighbor-bump: 2.62285 Ang F6.CD2 and E7.CA neighbor-bump: 2.77548 Ang F6.CE2 and E7.CA neighbor-bump: 2.1109 Ang F6.CG and E7.N neighbor-bump: 1.89898 Ang F6.CD2 and E7.N neighbor-bump: 2.75037 Ang F6.CE2 and E7.N self-bump: 2.50282 Ang F6.CG and F6.C self-bump: 1.30288 Ang F6.CA and F6.CB T0172 58 :FARRIARKIVENR 1hyeA 183 :VPLLSATSIGGIP Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.62872 Ang I10.O and N13.OD1 other bump:2.86074 Ang I10.C and N13.OD1 other bump:3.0045 Ang K9.CG and E12.C other bump:2.97321 Ang K9.CD and E12.C other bump:3.0691 Ang K9.CD and E12.CB other bump:2.65942 Ang K9.CG and E12.CA other bump:2.32391 Ang K9.CD and E12.CA other bump:2.7743 Ang K9.CG and E12.N other bump:3.02337 Ang K9.CD and E12.N neighbor-bump: 2.66945 Ang I10.C and V11.CB other bump:3.1202 Ang R5.CA and R8.CD T0172 71 :PLNTTLDLVKAVREALPSYE 1hyeA 200 :ERFKELPIDEIIEDVKTKGE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 2.82587 Ang Y20.CZ and E21.OE2 other bump:2.26226 Ang A16.O and Y20.CB other bump:1.98902 Ang R14.O and P18.CD other bump:3.12338 Ang R14.C and P18.CD neighbor-bump: 2.67998 Ang L17.N and P18.CD neighbor-bump: 2.72233 Ang L17.CB and P18.CD self-bump: 1.36517 Ang P18.N and P18.CD other bump:2.34789 Ang R14.O and P18.CG T0172 97 :HFATKTFQAIRIYVNRELENL 1hyeA 231 :GPAAAILNVVRCIVNNEKRLL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.66614 Ang I13.CD1 and L22.CD1 other bump:2.88397 Ang I13.CD1 and E20.OE2 other bump:2.44847 Ang E18.OE2 and E20.OE1 other bump:1.95906 Ang F8.CE1 and R12.NH2 other bump:2.29954 Ang F8.CZ and R12.NH2 other bump:2.58977 Ang F8.CE1 and R12.NH1 other bump:2.77216 Ang F8.CD1 and R12.CZ other bump:1.81281 Ang F8.CE1 and R12.CZ other bump:2.79496 Ang F8.CZ and R12.CZ other bump:2.86717 Ang F8.CD1 and R12.NE other bump:2.13262 Ang F8.CE1 and R12.NE other bump:2.98381 Ang F8.CZ and R12.NE other bump:2.82477 Ang F8.CZ and R12.CD Number of specific fragments= 4 total=164 Number of alignments=50 # command:superimposing iter= 0 total_weight= 525 weighted rmsd= 0 superimposing iter= 1 total_weight= 5250 weighted rmsd= 0 superimposing iter= 2 total_weight= 5250 weighted rmsd= 0 superimposing iter= 3 total_weight= 5250 weighted rmsd= 0 superimposing iter= 4 total_weight= 5250 weighted rmsd= 0 superimposing iter= 5 total_weight= 5250 weighted rmsd= 0 superimposing iter= 0 total_weight= 492 weighted rmsd= 1.16192 superimposing iter= 1 total_weight= 4570.33 weighted rmsd= 0.0776424 superimposing iter= 2 total_weight= 4724.32 weighted rmsd= 0.00506939 superimposing iter= 3 total_weight= 4710.27 weighted rmsd= 0.000338683 superimposing iter= 4 total_weight= 4710 weighted rmsd= 2.33298e-05 superimposing iter= 5 total_weight= 4464.85 weighted rmsd= 5.50713e-06 superimposing iter= 0 total_weight= 223 weighted rmsd= 8.01932 superimposing iter= 1 total_weight= 508.166 weighted rmsd= 4.9749 superimposing iter= 2 total_weight= 351.466 weighted rmsd= 3.5916 superimposing iter= 3 total_weight= 570.772 weighted rmsd= 1.99866 superimposing iter= 4 total_weight= 611.611 weighted rmsd= 1.11139 superimposing iter= 5 total_weight= 483.927 weighted rmsd= 0.731201 superimposing iter= 0 total_weight= 223 weighted rmsd= 8.01932 superimposing iter= 1 total_weight= 508.166 weighted rmsd= 4.9749 superimposing iter= 2 total_weight= 351.466 weighted rmsd= 3.5916 superimposing iter= 3 total_weight= 570.772 weighted rmsd= 1.99866 superimposing iter= 4 total_weight= 611.611 weighted rmsd= 1.11139 superimposing iter= 5 total_weight= 483.927 weighted rmsd= 0.731201 superimposing iter= 0 total_weight= 525 weighted rmsd= 10.1327 superimposing iter= 1 total_weight= 1077.76 weighted rmsd= 6.94718 superimposing iter= 2 total_weight= 612.163 weighted rmsd= 6.38484 superimposing iter= 3 total_weight= 535.815 weighted rmsd= 6.27959 superimposing iter= 4 total_weight= 520.761 weighted rmsd= 6.26544 superimposing iter= 5 total_weight= 520.068 weighted rmsd= 6.25595 superimposing iter= 0 total_weight= 525 weighted rmsd= 10.1327 superimposing iter= 1 total_weight= 1077.76 weighted rmsd= 6.94718 superimposing iter= 2 total_weight= 612.163 weighted rmsd= 6.38484 superimposing iter= 3 total_weight= 535.815 weighted rmsd= 6.27959 superimposing iter= 4 total_weight= 520.761 weighted rmsd= 6.26544 superimposing iter= 5 total_weight= 520.068 weighted rmsd= 6.25595 superimposing iter= 0 total_weight= 525 weighted rmsd= 10.0747 superimposing iter= 1 total_weight= 1054.25 weighted rmsd= 6.99131 superimposing iter= 2 total_weight= 607.796 weighted rmsd= 6.44516 superimposing iter= 3 total_weight= 537.519 weighted rmsd= 6.32577 superimposing iter= 4 total_weight= 523.637 weighted rmsd= 6.29219 superimposing iter= 5 total_weight= 522.771 weighted rmsd= 6.26485 superimposing iter= 0 total_weight= 525 weighted rmsd= 10.0747 superimposing iter= 1 total_weight= 1054.25 weighted rmsd= 6.99131 superimposing iter= 2 total_weight= 607.796 weighted rmsd= 6.44516 superimposing iter= 3 total_weight= 537.519 weighted rmsd= 6.32577 superimposing iter= 4 total_weight= 523.637 weighted rmsd= 6.29219 superimposing iter= 5 total_weight= 522.771 weighted rmsd= 6.26485 superimposing iter= 0 total_weight= 525 weighted rmsd= 1.7246 superimposing iter= 1 total_weight= 3563.49 weighted rmsd= 0.238221 superimposing iter= 2 total_weight= 4732.04 weighted rmsd= 0.0250778 superimposing iter= 3 total_weight= 4716.67 weighted rmsd= 0.00268372 superimposing iter= 4 total_weight= 4710.08 weighted rmsd= 0.000287421 superimposing iter= 5 total_weight= 4710 weighted rmsd= 3.12284e-05 superimposing iter= 0 total_weight= 495 weighted rmsd= 0.874537 superimposing iter= 1 total_weight= 4410.22 weighted rmsd= 0.0562828 superimposing iter= 2 total_weight= 4790.35 weighted rmsd= 0.00325338 superimposing iter= 3 total_weight= 4790 weighted rmsd= 0.000188093 superimposing iter= 4 total_weight= 4790 weighted rmsd= 1.17853e-05 superimposing iter= 5 total_weight= 3559.67 weighted rmsd= 3.63385e-06 superimposing iter= 0 total_weight= 313 weighted rmsd= 7.85147 superimposing iter= 1 total_weight= 714.599 weighted rmsd= 5.0781 superimposing iter= 2 total_weight= 367.177 weighted rmsd= 4.64981 superimposing iter= 3 total_weight= 321.645 weighted rmsd= 4.55853 superimposing iter= 4 total_weight= 316.278 weighted rmsd= 4.50581 superimposing iter= 5 total_weight= 319.109 weighted rmsd= 4.43387 superimposing iter= 0 total_weight= 312 weighted rmsd= 7.78749 superimposing iter= 1 total_weight= 718.529 weighted rmsd= 5.02704 superimposing iter= 2 total_weight= 359.949 weighted rmsd= 4.64563 superimposing iter= 3 total_weight= 321.339 weighted rmsd= 4.54881 superimposing iter= 4 total_weight= 315.996 weighted rmsd= 4.48908 superimposing iter= 5 total_weight= 318.991 weighted rmsd= 4.40523 superimposing iter= 0 total_weight= 254 weighted rmsd= 6.54671 superimposing iter= 1 total_weight= 629.652 weighted rmsd= 3.94577 superimposing iter= 2 total_weight= 383.791 weighted rmsd= 3.10865 superimposing iter= 3 total_weight= 346.932 weighted rmsd= 2.6107 superimposing iter= 4 total_weight= 321.092 weighted rmsd= 2.28642 superimposing iter= 5 total_weight= 322.152 weighted rmsd= 2.00501 superimposing iter= 0 total_weight= 352 weighted rmsd= 13.9803 superimposing iter= 1 total_weight= 752.584 weighted rmsd= 8.82405 superimposing iter= 2 total_weight= 615.523 weighted rmsd= 6.20959 superimposing iter= 3 total_weight= 745.286 weighted rmsd= 4.06015 superimposing iter= 4 total_weight= 616.197 weighted rmsd= 2.95545 superimposing iter= 5 total_weight= 548.727 weighted rmsd= 2.27322 superimposing iter= 0 total_weight= 525 weighted rmsd= 10.1327 superimposing iter= 1 total_weight= 1077.76 weighted rmsd= 6.94718 superimposing iter= 2 total_weight= 612.163 weighted rmsd= 6.38484 superimposing iter= 3 total_weight= 535.815 weighted rmsd= 6.27959 superimposing iter= 4 total_weight= 520.761 weighted rmsd= 6.26544 superimposing iter= 5 total_weight= 520.068 weighted rmsd= 6.25595 superimposing iter= 0 total_weight= 525 weighted rmsd= 10.1327 superimposing iter= 1 total_weight= 1077.76 weighted rmsd= 6.94718 superimposing iter= 2 total_weight= 612.163 weighted rmsd= 6.38484 superimposing iter= 3 total_weight= 535.815 weighted rmsd= 6.27959 superimposing iter= 4 total_weight= 520.761 weighted rmsd= 6.26544 superimposing iter= 5 total_weight= 520.068 weighted rmsd= 6.25595 superimposing iter= 0 total_weight= 525 weighted rmsd= 10.0747 superimposing iter= 1 total_weight= 1054.25 weighted rmsd= 6.99131 superimposing iter= 2 total_weight= 607.796 weighted rmsd= 6.44516 superimposing iter= 3 total_weight= 537.519 weighted rmsd= 6.32577 superimposing iter= 4 total_weight= 523.637 weighted rmsd= 6.29219 superimposing iter= 5 total_weight= 522.771 weighted rmsd= 6.26485 superimposing iter= 0 total_weight= 525 weighted rmsd= 10.0747 superimposing iter= 1 total_weight= 1054.25 weighted rmsd= 6.99131 superimposing iter= 2 total_weight= 607.796 weighted rmsd= 6.44516 superimposing iter= 3 total_weight= 537.519 weighted rmsd= 6.32577 superimposing iter= 4 total_weight= 523.637 weighted rmsd= 6.29219 superimposing iter= 5 total_weight= 522.771 weighted rmsd= 6.26485 superimposing iter= 0 total_weight= 498 weighted rmsd= 15.3617 superimposing iter= 1 total_weight= 1263.24 weighted rmsd= 9.30383 superimposing iter= 2 total_weight= 655.669 weighted rmsd= 8.0232 superimposing iter= 3 total_weight= 526.676 weighted rmsd= 7.69646 superimposing iter= 4 total_weight= 523.817 weighted rmsd= 7.36392 superimposing iter= 5 total_weight= 554.317 weighted rmsd= 6.84105 superimposing iter= 0 total_weight= 498 weighted rmsd= 15.3617 superimposing iter= 1 total_weight= 1263.24 weighted rmsd= 9.30383 superimposing iter= 2 total_weight= 655.669 weighted rmsd= 8.0232 superimposing iter= 3 total_weight= 526.676 weighted rmsd= 7.69646 superimposing iter= 4 total_weight= 523.817 weighted rmsd= 7.36392 superimposing iter= 5 total_weight= 554.317 weighted rmsd= 6.84105 superimposing iter= 0 total_weight= 426 weighted rmsd= 11.9403 superimposing iter= 1 total_weight= 643.314 weighted rmsd= 9.58112 superimposing iter= 2 total_weight= 477.615 weighted rmsd= 8.98461 superimposing iter= 3 total_weight= 463.335 weighted rmsd= 8.56857 superimposing iter= 4 total_weight= 466.653 weighted rmsd= 8.15222 superimposing iter= 5 total_weight= 464.019 weighted rmsd= 7.77904 superimposing iter= 0 total_weight= 439 weighted rmsd= 12.6626 superimposing iter= 1 total_weight= 828.626 weighted rmsd= 8.8512 superimposing iter= 2 total_weight= 606.463 weighted rmsd= 7.36104 superimposing iter= 3 total_weight= 556.538 weighted rmsd= 6.44518 superimposing iter= 4 total_weight= 517.228 weighted rmsd= 5.87526 superimposing iter= 5 total_weight= 480.112 weighted rmsd= 5.55874 superimposing iter= 0 total_weight= 496 weighted rmsd= 1.04165 superimposing iter= 1 total_weight= 4767.31 weighted rmsd= 0.0571892 superimposing iter= 2 total_weight= 4812.36 weighted rmsd= 0.00322448 superimposing iter= 3 total_weight= 4800.11 weighted rmsd= 0.000186307 superimposing iter= 4 total_weight= 4800 weighted rmsd= 1.16841e-05 superimposing iter= 5 total_weight= 3792.96 weighted rmsd= 4.15587e-06 superimposing iter= 0 total_weight= 492 weighted rmsd= 1.16192 superimposing iter= 1 total_weight= 4570.33 weighted rmsd= 0.0776424 superimposing iter= 2 total_weight= 4724.32 weighted rmsd= 0.00506939 superimposing iter= 3 total_weight= 4710.27 weighted rmsd= 0.000338683 superimposing iter= 4 total_weight= 4710 weighted rmsd= 2.33298e-05 superimposing iter= 5 total_weight= 4464.85 weighted rmsd= 5.50713e-06 superimposing iter= 0 total_weight= 215 weighted rmsd= 10.8038 superimposing iter= 1 total_weight= 529.699 weighted rmsd= 6.69486 superimposing iter= 2 total_weight= 270.693 weighted rmsd= 5.89017 superimposing iter= 3 total_weight= 237.645 weighted rmsd= 5.54853 superimposing iter= 4 total_weight= 225.542 weighted rmsd= 5.37449 superimposing iter= 5 total_weight= 220.282 weighted rmsd= 5.2744 superimposing iter= 0 total_weight= 198 weighted rmsd= 10.2966 superimposing iter= 1 total_weight= 505.776 weighted rmsd= 6.29963 superimposing iter= 2 total_weight= 238.253 weighted rmsd= 5.67705 superimposing iter= 3 total_weight= 223.548 weighted rmsd= 5.29421 superimposing iter= 4 total_weight= 210.9 weighted rmsd= 5.08984 superimposing iter= 5 total_weight= 202.779 weighted rmsd= 4.99538 superimposing iter= 0 total_weight= 492 weighted rmsd= 1.16192 superimposing iter= 1 total_weight= 4570.33 weighted rmsd= 0.0776424 superimposing iter= 2 total_weight= 4724.32 weighted rmsd= 0.00506939 superimposing iter= 3 total_weight= 4710.27 weighted rmsd= 0.000338683 superimposing iter= 4 total_weight= 4710 weighted rmsd= 2.33298e-05 superimposing iter= 5 total_weight= 4464.85 weighted rmsd= 5.50713e-06 superimposing iter= 0 total_weight= 492 weighted rmsd= 1.16192 superimposing iter= 1 total_weight= 4570.33 weighted rmsd= 0.0776424 superimposing iter= 2 total_weight= 4724.32 weighted rmsd= 0.00506939 superimposing iter= 3 total_weight= 4710.27 weighted rmsd= 0.000338683 superimposing iter= 4 total_weight= 4710 weighted rmsd= 2.33298e-05 superimposing iter= 5 total_weight= 4464.85 weighted rmsd= 5.50713e-06 superimposing iter= 0 total_weight= 183 weighted rmsd= 8.86327 superimposing iter= 1 total_weight= 464.369 weighted rmsd= 5.27114 superimposing iter= 2 total_weight= 292.189 weighted rmsd= 4.06928 superimposing iter= 3 total_weight= 254.178 weighted rmsd= 3.38201 superimposing iter= 4 total_weight= 227.331 weighted rmsd= 2.97124 superimposing iter= 5 total_weight= 211.276 weighted rmsd= 2.71407 superimposing iter= 0 total_weight= 185 weighted rmsd= 8.2893 superimposing iter= 1 total_weight= 408.824 weighted rmsd= 5.28058 superimposing iter= 2 total_weight= 303.951 weighted rmsd= 4.0001 superimposing iter= 3 total_weight= 241.909 weighted rmsd= 3.44529 superimposing iter= 4 total_weight= 207.834 weighted rmsd= 3.21548 superimposing iter= 5 total_weight= 194.228 weighted rmsd= 3.1043 superimposing iter= 0 total_weight= 516 weighted rmsd= 22.3224 superimposing iter= 1 total_weight= 1384.8 weighted rmsd= 11.4343 superimposing iter= 2 total_weight= 886.615 weighted rmsd= 8.48733 superimposing iter= 3 total_weight= 581.51 weighted rmsd= 7.84524 superimposing iter= 4 total_weight= 554.227 weighted rmsd= 7.4473 superimposing iter= 5 total_weight= 557.14 weighted rmsd= 7.07452 superimposing iter= 0 total_weight= 497 weighted rmsd= 14.2988 superimposing iter= 1 total_weight= 908.651 weighted rmsd= 10.4873 superimposing iter= 2 total_weight= 534.181 weighted rmsd= 10.0854 superimposing iter= 3 total_weight= 508.414 weighted rmsd= 9.94979 superimposing iter= 4 total_weight= 507.385 weighted rmsd= 9.82981 superimposing iter= 5 total_weight= 508.584 weighted rmsd= 9.70121 superimposing iter= 0 total_weight= 420 weighted rmsd= 12.3238 superimposing iter= 1 total_weight= 839.183 weighted rmsd= 8.2899 superimposing iter= 2 total_weight= 591.017 weighted rmsd= 6.68754 superimposing iter= 3 total_weight= 609.769 weighted rmsd= 5.41326 superimposing iter= 4 total_weight= 546.288 weighted rmsd= 4.68754 superimposing iter= 5 total_weight= 472.002 weighted rmsd= 4.38186 superimposing iter= 0 total_weight= 420 weighted rmsd= 12.3238 superimposing iter= 1 total_weight= 839.183 weighted rmsd= 8.2899 superimposing iter= 2 total_weight= 591.017 weighted rmsd= 6.68754 superimposing iter= 3 total_weight= 609.769 weighted rmsd= 5.41326 superimposing iter= 4 total_weight= 546.288 weighted rmsd= 4.68754 superimposing iter= 5 total_weight= 472.002 weighted rmsd= 4.38186 superimposing iter= 0 total_weight= 351 weighted rmsd= 1.12016 superimposing iter= 1 total_weight= 3188.98 weighted rmsd= 0.0650039 superimposing iter= 2 total_weight= 3420 weighted rmsd= 0.00333693 superimposing iter= 3 total_weight= 3420 weighted rmsd= 0.000171256 superimposing iter= 4 total_weight= 3420 weighted rmsd= 1.01743e-05 superimposing iter= 5 total_weight= 2113.79 weighted rmsd= 5.27462e-06 superimposing iter= 0 total_weight= 476 weighted rmsd= 0.13433 superimposing iter= 1 total_weight= 4730.82 weighted rmsd= 0.00385382 superimposing iter= 2 total_weight= 4710.16 weighted rmsd= 0.000126762 superimposing iter= 3 total_weight= 4710 weighted rmsd= 6.60529e-06 superimposing iter= 4 total_weight= 1158.71 weighted rmsd= 3.08488e-06 superimposing iter= 5 total_weight= 1684.47 weighted rmsd= 1.4822e-06 superimposing iter= 0 total_weight= 525 weighted rmsd= 10.1327 superimposing iter= 1 total_weight= 1077.76 weighted rmsd= 6.94718 superimposing iter= 2 total_weight= 612.163 weighted rmsd= 6.38484 superimposing iter= 3 total_weight= 535.815 weighted rmsd= 6.27959 superimposing iter= 4 total_weight= 520.761 weighted rmsd= 6.26544 superimposing iter= 5 total_weight= 520.068 weighted rmsd= 6.25595 superimposing iter= 0 total_weight= 525 weighted rmsd= 10.1327 superimposing iter= 1 total_weight= 1077.76 weighted rmsd= 6.94718 superimposing iter= 2 total_weight= 612.163 weighted rmsd= 6.38484 superimposing iter= 3 total_weight= 535.815 weighted rmsd= 6.27959 superimposing iter= 4 total_weight= 520.761 weighted rmsd= 6.26544 superimposing iter= 5 total_weight= 520.068 weighted rmsd= 6.25595 superimposing iter= 0 total_weight= 198 weighted rmsd= 10.2966 superimposing iter= 1 total_weight= 505.776 weighted rmsd= 6.29963 superimposing iter= 2 total_weight= 238.253 weighted rmsd= 5.67705 superimposing iter= 3 total_weight= 223.548 weighted rmsd= 5.29421 superimposing iter= 4 total_weight= 210.9 weighted rmsd= 5.08984 superimposing iter= 5 total_weight= 202.779 weighted rmsd= 4.99538 superimposing iter= 0 total_weight= 215 weighted rmsd= 10.8038 superimposing iter= 1 total_weight= 529.699 weighted rmsd= 6.69486 superimposing iter= 2 total_weight= 270.693 weighted rmsd= 5.89017 superimposing iter= 3 total_weight= 237.645 weighted rmsd= 5.54853 superimposing iter= 4 total_weight= 225.542 weighted rmsd= 5.37449 superimposing iter= 5 total_weight= 220.282 weighted rmsd= 5.2744 superimposing iter= 0 total_weight= 49 weighted rmsd= 4.56544 superimposing iter= 1 total_weight= 222.847 weighted rmsd= 1.88159 superimposing iter= 2 total_weight= 118.861 weighted rmsd= 1.11542 superimposing iter= 3 total_weight= 103.545 weighted rmsd= 0.703999 superimposing iter= 4 total_weight= 102.765 weighted rmsd= 0.435524 superimposing iter= 5 total_weight= 103.281 weighted rmsd= 0.276771 superimposing iter= 0 total_weight= 128 weighted rmsd= 9.84377 superimposing iter= 1 total_weight= 228.591 weighted rmsd= 7.1925 superimposing iter= 2 total_weight= 158.8 weighted rmsd= 6.36175 superimposing iter= 3 total_weight= 149.425 weighted rmsd= 5.82629 superimposing iter= 4 total_weight= 136.067 weighted rmsd= 5.60348 superimposing iter= 5 total_weight= 131.912 weighted rmsd= 5.48153 superimposing iter= 0 total_weight= 351 weighted rmsd= 1.12016 superimposing iter= 1 total_weight= 3188.98 weighted rmsd= 0.0650039 superimposing iter= 2 total_weight= 3420 weighted rmsd= 0.00333693 superimposing iter= 3 total_weight= 3420 weighted rmsd= 0.000171256 superimposing iter= 4 total_weight= 3420 weighted rmsd= 1.01743e-05 superimposing iter= 5 total_weight= 2113.79 weighted rmsd= 5.27462e-06 superimposing iter= 0 total_weight= 476 weighted rmsd= 0.13433 superimposing iter= 1 total_weight= 4730.82 weighted rmsd= 0.00385382 superimposing iter= 2 total_weight= 4710.16 weighted rmsd= 0.000126762 superimposing iter= 3 total_weight= 4710 weighted rmsd= 6.60529e-06 superimposing iter= 4 total_weight= 1158.71 weighted rmsd= 3.08488e-06 superimposing iter= 5 total_weight= 1684.47 weighted rmsd= 1.4822e-06 superimposing iter= 0 total_weight= 208 weighted rmsd= 7.92748 superimposing iter= 1 total_weight= 440.431 weighted rmsd= 5.26077 superimposing iter= 2 total_weight= 250.338 weighted rmsd= 4.58223 superimposing iter= 3 total_weight= 324.149 weighted rmsd= 3.41191 superimposing iter= 4 total_weight= 459.781 weighted rmsd= 2.08987 superimposing iter= 5 total_weight= 481.258 weighted rmsd= 1.26305 superimposing iter= 0 total_weight= 208 weighted rmsd= 7.92748 superimposing iter= 1 total_weight= 440.431 weighted rmsd= 5.26077 superimposing iter= 2 total_weight= 250.338 weighted rmsd= 4.58223 superimposing iter= 3 total_weight= 324.149 weighted rmsd= 3.41191 superimposing iter= 4 total_weight= 459.781 weighted rmsd= 2.08987 superimposing iter= 5 total_weight= 481.258 weighted rmsd= 1.26305 superimposing iter= 0 total_weight= 525 weighted rmsd= 10.1327 superimposing iter= 1 total_weight= 1077.76 weighted rmsd= 6.94718 superimposing iter= 2 total_weight= 612.163 weighted rmsd= 6.38484 superimposing iter= 3 total_weight= 535.815 weighted rmsd= 6.27959 superimposing iter= 4 total_weight= 520.761 weighted rmsd= 6.26544 superimposing iter= 5 total_weight= 520.068 weighted rmsd= 6.25595 superimposing iter= 0 total_weight= 525 weighted rmsd= 10.1327 superimposing iter= 1 total_weight= 1077.76 weighted rmsd= 6.94718 superimposing iter= 2 total_weight= 612.163 weighted rmsd= 6.38484 superimposing iter= 3 total_weight= 535.815 weighted rmsd= 6.27959 superimposing iter= 4 total_weight= 520.761 weighted rmsd= 6.26544 superimposing iter= 5 total_weight= 520.068 weighted rmsd= 6.25595 superimposing iter= 0 total_weight= 420 weighted rmsd= 12.3238 superimposing iter= 1 total_weight= 839.183 weighted rmsd= 8.2899 superimposing iter= 2 total_weight= 591.017 weighted rmsd= 6.68754 superimposing iter= 3 total_weight= 609.769 weighted rmsd= 5.41326 superimposing iter= 4 total_weight= 546.288 weighted rmsd= 4.68754 superimposing iter= 5 total_weight= 472.002 weighted rmsd= 4.38186 superimposing iter= 0 total_weight= 420 weighted rmsd= 12.3238 superimposing iter= 1 total_weight= 839.183 weighted rmsd= 8.2899 superimposing iter= 2 total_weight= 591.017 weighted rmsd= 6.68754 superimposing iter= 3 total_weight= 609.769 weighted rmsd= 5.41326 superimposing iter= 4 total_weight= 546.288 weighted rmsd= 4.68754 superimposing iter= 5 total_weight= 472.002 weighted rmsd= 4.38186 # command: