# command:# Seed set to 1026644033 # 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-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= 10040 msec, elapsed time= 10197.7 msec) # Prefix for input files set to # Reading target chain from PDB file T0147_twice.blank.pdb WARNING: atom 1 has residue number 1 < previous residue 245 Read PDB file T0147_twice.blank.pdb as target. Have 490 residues and 3782 atoms. # No conformations to remove in PopConform # SetCost created cost = # ( 0.2 * gen6.5(6.5) + 0.2 * wet6.5(6.5, /log(length)) + 1 * dry6.5(6.5) + 1 * dry8(8) + 1 * dry12(12) + 0 * radius_norm + 0.2 * radius_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 5 * break + 0.01 * constraints + 1 * alpha + 1 * alpha_prev + 1 * contact_order ) # command:CPU_time= 10140 msec, elapsed time= 10300.6 msec) # command:# Making generic fragment library # fragment library contains # type length num_fragments num_indexes_used # n-terminus 1 407 20 (100%) # n-terminus 2 408 196 (49%) # middle 1 109496 20 (100%) # middle 2 108592 400 (100%) # middle 3 107719 7822 (97.775%) # middle 4 106865 64233 (40.1456%) # c-terminus 1 408 20 (100%) # c-terminus 2 406 227 (56.75%) # ss-bonds 409 # command:CPU_time= 14870 msec, elapsed time= 15027.5 msec) # command:# Prefix for output files set to decoys/ # command:# created conformation for T0147_twice from sequence in target chain replacing old conformation. # command:# naming current conformation T0147_twice.rand # command:CPU_time= 14880 msec, elapsed time= 15039.5 msec) # command:# Prefix for input files set to # command:# reading script from file T0147_twice.t2k.undertaker-align.script # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1a4mA/T0147_twice-1a4mA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1a4mA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1a4mA/T0147_twice-1a4mA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # adding 1a4mA to template set 1a4mA:# found chain 1a4mA in template set T0147_twice 1 :M 1a4mA 4 :T Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0147_twice 2 :YPVDLHMH 1a4mA 10 :PKVELHVH Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:1.444 Ang OD2(33) at 32.1194 30.3843 50.1863 in (null):D-9999 (4) and CE(59) at 32.7975 30.7877 48.9769 in (null):M-9999 (7) other bump:1.93279 Ang CB(30) at 32.4157 32.6224 49.4498 in (null):D-9999 (4) and CE(59) at 32.7975 30.7877 48.9769 in (null):M-9999 (7) other bump:0.974668 Ang CG(31) at 32.9377 31.2559 49.8201 in (null):D-9999 (4) and CE(59) at 32.7975 30.7877 48.9769 in (null):M-9999 (7) other bump:1.58852 Ang OD1(32) at 34.1646 31.0174 49.7525 in (null):D-9999 (4) and CE(59) at 32.7975 30.7877 48.9769 in (null):M-9999 (7) other bump:1.57693 Ang OD2(33) at 32.1194 30.3843 50.1863 in (null):D-9999 (4) and SD(58) at 32.0918 29.1769 49.1723 in (null):M-9999 (7) other bump:2.3361 Ang CG(31) at 32.9377 31.2559 49.8201 in (null):D-9999 (4) and SD(58) at 32.0918 29.1769 49.1723 in (null):M-9999 (7) other bump:2.83206 Ang OD1(32) at 34.1646 31.0174 49.7525 in (null):D-9999 (4) and SD(58) at 32.0918 29.1769 49.1723 in (null):M-9999 (7) other bump:2.57725 Ang OD2(33) at 32.1194 30.3843 50.1863 in (null):D-9999 (4) and CG(57) at 33.5262 28.2666 49.7639 in (null):M-9999 (7) other bump:3.04721 Ang CG(31) at 32.9377 31.2559 49.8201 in (null):D-9999 (4) and CG(57) at 33.5262 28.2666 49.7639 in (null):M-9999 (7) T0147_twice 14 :THAYSTLSDYIAQAKQKGIK 1a4mA 18 :LDGAIKPETILYFGKKRGIA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.8524 Ang CE(133) at 33.7923 8.47214 34.5791 in (null):K-9999 (17) and CD1(146) at 34.725 6.15 35.948 in (null):I-9999 (19) other bump:2.15374 Ang OG(39) at 31.025 16.8951 44.286 in (null):S-9999 (5) and OH(80) at 32.8911 16.0548 43.615 in (null):Y-9999 (10) other bump:2.12688 Ang OG(39) at 31.025 16.8951 44.286 in (null):S-9999 (5) and CZ(79) at 31.8889 15.1433 43.4442 in (null):Y-9999 (10) other bump:2.2713 Ang CB(38) at 30.5131 17.8476 43.3642 in (null):S-9999 (5) and CE1(77) at 30.5713 15.5777 43.3093 in (null):Y-9999 (10) other bump:1.70158 Ang OG(39) at 31.025 16.8951 44.286 in (null):S-9999 (5) and CE1(77) at 30.5713 15.5777 43.3093 in (null):Y-9999 (10) other bump:2.98969 Ang C(1) at 35.793 23.524 45.953 in (null):G-9999 (0) and CD2(29) at 33.2383 24.7198 46.9437 in (null):Y-9999 (4) other bump:2.43549 Ang O(0) at 34.819 22.942 46.422 in (null):G-9999 (0) and CD2(29) at 33.2383 24.7198 46.9437 in (null):Y-9999 (4) T0147_twice 41 :GPDMEDAPHH 1a4mA 38 :LPADTVEELR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.54855 Ang O(44) at 22.884 10.889 48.748 in (null):D-9999 (6) and CD2(72) at 23.3766 13.381 48.9539 in (null):H-9999 (10) other bump:3.21902 Ang CB(15) at 26.2967 5.73978 48.271 in (null):D-9999 (3) and CA(59) at 25.825 8.806 49.13 in (null):H-9999 (9) other bump:3.04202 Ang CG(16) at 26.8457 5.98905 49.6562 in (null):D-9999 (3) and CA(59) at 25.825 8.806 49.13 in (null):H-9999 (9) other bump:2.16547 Ang OD2(18) at 26.9782 7.18374 49.9831 in (null):D-9999 (3) and CA(59) at 25.825 8.806 49.13 in (null):H-9999 (9) other bump:3.09211 Ang CG(16) at 26.8457 5.98905 49.6562 in (null):D-9999 (3) and N(58) at 24.636 8.152 49.645 in (null):H-9999 (9) other bump:3.06643 Ang CG(16) at 26.8457 5.98905 49.6562 in (null):D-9999 (3) and C(57) at 24.567 7.645 50.868 in (null):P-9999 (8) other bump:2.60951 Ang OD2(18) at 26.9782 7.18374 49.9831 in (null):D-9999 (3) and C(57) at 24.567 7.645 50.868 in (null):P-9999 (8) other bump:2.29043 Ang OD2(18) at 26.9782 7.18374 49.9831 in (null):D-9999 (3) and O(56) at 25.505 7.667 51.669 in (null):P-9999 (8) T0147_twice 51 :WHFINMRIW 1a4mA 77 :EAIKRIAYE Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.31692 Ang ND2(49) at 26.6644 18.5152 36.1978 in (null):N-9999 (5) and CH2(91) at 25.7199 17.7812 36.7488 in (null):W-9999 (9) other bump:2.48647 Ang CG(48) at 26.9019 19.3392 35.2132 in (null):N-9999 (5) and CH2(91) at 25.7199 17.7812 36.7488 in (null):W-9999 (9) other bump:1.80426 Ang ND2(49) at 26.6644 18.5152 36.1978 in (null):N-9999 (5) and CZ3(90) at 26.4698 18.0099 37.9189 in (null):W-9999 (9) other bump:3.04541 Ang CG(48) at 26.9019 19.3392 35.2132 in (null):N-9999 (5) and CZ3(90) at 26.4698 18.0099 37.9189 in (null):W-9999 (9) other bump:1.66356 Ang ND2(49) at 26.6644 18.5152 36.1978 in (null):N-9999 (5) and CZ2(89) at 25.0254 18.7928 36.1337 in (null):W-9999 (9) other bump:2.1604 Ang CG(48) at 26.9019 19.3392 35.2132 in (null):N-9999 (5) and CZ2(89) at 25.0254 18.7928 36.1337 in (null):W-9999 (9) other bump:2.13129 Ang OD1(50) at 26.0212 20.0302 34.7126 in (null):N-9999 (5) and CZ2(89) at 25.0254 18.7928 36.1337 in (null):W-9999 (9) other bump:2.52302 Ang OD1(50) at 26.0212 20.0302 34.7126 in (null):N-9999 (5) and NE1(88) at 24.5069 21.2461 36.3232 in (null):W-9999 (9) other bump:2.42324 Ang ND2(49) at 26.6644 18.5152 36.1978 in (null):N-9999 (5) and CE3(87) at 26.533 19.2795 38.4936 in (null):W-9999 (9) other bump:2.27139 Ang ND2(49) at 26.6644 18.5152 36.1978 in (null):N-9999 (5) and CE2(86) at 25.089 20.069 36.7108 in (null):W-9999 (9) other bump:2.46212 Ang CG(48) at 26.9019 19.3392 35.2132 in (null):N-9999 (5) and CE2(86) at 25.089 20.069 36.7108 in (null):W-9999 (9) other bump:2.20527 Ang OD1(50) at 26.0212 20.0302 34.7126 in (null):N-9999 (5) and CE2(86) at 25.089 20.069 36.7108 in (null):W-9999 (9) other bump:2.6151 Ang ND2(49) at 26.6644 18.5152 36.1978 in (null):N-9999 (5) and CD2(85) at 25.8333 20.3316 37.8856 in (null):W-9999 (9) other bump:3.04445 Ang CG(48) at 26.9019 19.3392 35.2132 in (null):N-9999 (5) and CD2(85) at 25.8333 20.3316 37.8856 in (null):W-9999 (9) T0147_twice 60 :PRVVDGVGILR 1a4mA 87 :VEMKAKEGVVY Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.38788 Ang CB(29) at 27.6723 30.4187 45.0405 in (null):V-9999 (4) and CD1(62) at 28.6478 31.8603 46.6751 in (null):I-9999 (9) other bump:1.21122 Ang CG1(30) at 28.0235 31.7674 45.6414 in (null):V-9999 (4) and CD1(62) at 28.6478 31.8603 46.6751 in (null):I-9999 (9) other bump:2.78894 Ang CG2(31) at 28.7632 29.3924 45.3812 in (null):V-9999 (4) and CD1(62) at 28.6478 31.8603 46.6751 in (null):I-9999 (9) other bump:3.05736 Ang CB(29) at 27.6723 30.4187 45.0405 in (null):V-9999 (4) and CG1(60) at 27.5635 32.9934 46.6856 in (null):I-9999 (9) other bump:1.67481 Ang CG1(30) at 28.0235 31.7674 45.6414 in (null):V-9999 (4) and CG1(60) at 27.5635 32.9934 46.6856 in (null):I-9999 (9) T0147_twice 72 :IEANIKN 1a4mA 98 :VEVRYSP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.45576 Ang O(30) at 38.737 24.68 44.331 in (null):N-9999 (4) and CG2(36) at 38.1992 23.2147 42.4351 in (null):I-9999 (5) T0147_twice 101 :HEPVFAPHDK 1a4mA 105 :HLLANSKVDP Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.67569 Ang CB(30) at 44.5369 16.1465 34.5421 in (null):V-9999 (4) and CE1(64) at 46.8591 17.3454 33.9687 in (null):H-9999 (8) other bump:2.35149 Ang CG1(31) at 45.2578 15.7786 33.2544 in (null):V-9999 (4) and CE1(64) at 46.8591 17.3454 33.9687 in (null):H-9999 (8) other bump:2.56822 Ang CG2(32) at 44.4023 17.6558 34.6494 in (null):V-9999 (4) and CE1(64) at 46.8591 17.3454 33.9687 in (null):H-9999 (8) other bump:2.72319 Ang CB(30) at 44.5369 16.1465 34.5421 in (null):V-9999 (4) and ND1(63) at 47.1941 16.0724 33.9509 in (null):H-9999 (8) other bump:2.07861 Ang CG1(31) at 45.2578 15.7786 33.2544 in (null):V-9999 (4) and ND1(63) at 47.1941 16.0724 33.9509 in (null):H-9999 (8) other bump:2.47374 Ang CD2(6) at 49.091 18.75 37.167 in (null):H-9999 (1) and CD2(62) at 48.1213 16.9955 35.7176 in (null):H-9999 (8) other bump:2.72348 Ang CG1(31) at 45.2578 15.7786 33.2544 in (null):V-9999 (4) and O(49) at 47.257 15.224 31.49 in (null):A-9999 (6) neighbor-bump: 1.86258 Ang C(20) at 42.224 15.686 39.429 in (null):E-9999 (2) and CD(25) at 42.0841 17.5309 39.2144 in (null):P-9999 (3) self-bump: 1.33529 Ang N(21) at 41.948 16.483 38.398 in (null):P-9999 (3) and CD(25) at 42.0841 17.5309 39.2144 in (null):P-9999 (3) neighbor-bump: 2.30847 Ang CA(13) at 43.471 16.011 40.261 in (null):E-9999 (2) and CD(25) at 42.0841 17.5309 39.2144 in (null):P-9999 (3) neighbor-bump: 2.80035 Ang CB(14) at 43.0721 16.7283 41.7087 in (null):E-9999 (2) and CD(25) at 42.0841 17.5309 39.2144 in (null):P-9999 (3) neighbor-bump: 2.33434 Ang N(12) at 44.317 17.052 39.698 in (null):E-9999 (2) and CD(25) at 42.0841 17.5309 39.2144 in (null):P-9999 (3) self-bump: 2.20206 Ang N(21) at 41.948 16.483 38.398 in (null):P-9999 (3) and CG(24) at 40.7253 18.1892 39.0637 in (null):P-9999 (3) T0147_twice 111 :ATNTQAMIATIASG 1a4mA 195 :PGHVEAYEGAVKNG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0147_twice 126 :VHIISHPGNPK 1a4mA 209 :IHRTVHAGEVG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.17165 Ang CB(64) at 43.9646 24.4481 59.062 in (null):N-9999 (9) and CD(74) at 44.99 22.6828 59.8025 in (null):P-9999 (10) neighbor-bump: 1.79377 Ang C(69) at 44.89 23.884 61.131 in (null):N-9999 (9) and CD(74) at 44.99 22.6828 59.8025 in (null):P-9999 (10) neighbor-bump: 2.29021 Ang CA(63) at 44.685 24.938 60.06 in (null):N-9999 (9) and CD(74) at 44.99 22.6828 59.8025 in (null):P-9999 (10) self-bump: 1.37982 Ang N(70) at 45.811 22.969 60.874 in (null):P-9999 (10) and CD(74) at 44.99 22.6828 59.8025 in (null):P-9999 (10) neighbor-bump: 2.83297 Ang C(69) at 44.89 23.884 61.131 in (null):N-9999 (9) and CG(73) at 44.5779 21.2569 60.1176 in (null):P-9999 (10) self-bump: 1.32477 Ang CA(63) at 44.685 24.938 60.06 in (null):N-9999 (9) and CB(64) at 43.9646 24.4481 59.062 in (null):N-9999 (9) neighbor-bump: 2.66713 Ang N(41) at 47.103 27.572 52.684 in (null):H-9999 (6) and CD(55) at 47.6673 28.566 55.0938 in (null):P-9999 (7) neighbor-bump: 2.35375 Ang CA(42) at 46.448 26.986 53.846 in (null):H-9999 (6) and CD(55) at 47.6673 28.566 55.0938 in (null):P-9999 (7) neighbor-bump: 1.71455 Ang C(50) at 47.569 26.871 54.855 in (null):H-9999 (6) and CD(55) at 47.6673 28.566 55.0938 in (null):P-9999 (7) other bump:1.93812 Ang O(39) at 47.073 29.626 53.584 in (null):S-9999 (5) and CD(55) at 47.6673 28.566 55.0938 in (null):P-9999 (7) other bump:2.45475 Ang C(40) at 47.398 28.871 52.673 in (null):S-9999 (5) and CD(55) at 47.6673 28.566 55.0938 in (null):P-9999 (7) T0147_twice 137 :YEIDVKAVAEAAAKHQVALEINNSS 1a4mA 241 :HTIEDEALYNRLLKENMHFEVCPWS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.74491 Ang OD1(166) at 34.2538 26.0068 56.9745 in (null):N-9999 (22) and CB(185) at 35.782 23.789 57.504 in (null):S-9999 (25) other bump:1.8837 Ang O(84) at 51.529 42.279 61.637 in (null):A-9999 (11) and CD2(109) at 52.7464 42.3406 60.2009 in (null):H-9999 (15) other bump:2.68774 Ang C(85) at 51.578 41.289 62.381 in (null):A-9999 (11) and CD2(109) at 52.7464 42.3406 60.2009 in (null):H-9999 (15) other bump:2.54488 Ang O(84) at 51.529 42.279 61.637 in (null):A-9999 (11) and CG(108) at 52.1274 43.1721 59.3303 in (null):H-9999 (15) other bump:2.82154 Ang CA(3) at 46.925 28.39 65.122 in (null):Y-9999 (1) and OD2(36) at 48.332 27.832 67.5032 in (null):D-9999 (4) other bump:2.25318 Ang O(12) at 48.743 29.576 66.137 in (null):Y-9999 (1) and OD2(36) at 48.332 27.832 67.5032 in (null):D-9999 (4) other bump:2.88736 Ang C(13) at 47.882 29.578 65.248 in (null):Y-9999 (1) and OD2(36) at 48.332 27.832 67.5032 in (null):D-9999 (4) T0147_twice 168 :GSEDNCR 1a4mA 266 :SYLTGAW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.65733 Ang CG(24) at 40.0371 20.6314 60.1513 in (null):D-9999 (4) and SG(40) at 42.1789 22.0655 60.7975 in (null):C-9999 (6) other bump:2.67295 Ang OD1(25) at 39.8279 20.9173 61.3445 in (null):D-9999 (4) and SG(40) at 42.1789 22.0655 60.7975 in (null):C-9999 (6) other bump:2.3591 Ang OD2(26) at 40.5153 21.3969 59.2643 in (null):D-9999 (4) and SG(40) at 42.1789 22.0655 60.7975 in (null):C-9999 (6) T0147_twice 175 :EVAAAVRDAGGWVALGSDSHTAFTMGEFEECLKILDAVDFPPERILNVSPRRLLN 1a4mA 278 :HAVVRFKNDKANYSLNTDDPLIFKSTLDTDYQMTKKDMGFTEEEFKRLNINAAKS Fragment has 61 clashes (null) has 61 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 57 residues other bump:1.9547 Ang O(396) at 37.316 40.156 49.989 in (null):R-9999 (52) and OD1(419) at 38.8058 39.9176 51.2318 in (null):N-9999 (55) other bump:2.39018 Ang C(397) at 36.551 40.606 50.838 in (null):R-9999 (52) and OD1(419) at 38.8058 39.9176 51.2318 in (null):N-9999 (55) other bump:2.47922 Ang CA(388) at 36.546 40.034 52.245 in (null):R-9999 (52) and OD1(419) at 38.8058 39.9176 51.2318 in (null):N-9999 (55) other bump:2.97117 Ang NE1(80) at 40.138 41.4918 54.304 in (null):W-9999 (12) and CG(417) at 39.8802 39.8372 51.8496 in (null):N-9999 (55) other bump:2.96002 Ang NE1(80) at 40.138 41.4918 54.304 in (null):W-9999 (12) and CB(416) at 41.0537 40.7604 51.5858 in (null):N-9999 (55) other bump:2.84116 Ang CZ2(81) at 40.0544 43.7983 53.3142 in (null):W-9999 (12) and CB(408) at 38.8241 45.3356 51.266 in (null):L-9999 (54) other bump:2.79741 Ang CH2(83) at 40.3793 45.1065 53.5799 in (null):W-9999 (12) and CB(408) at 38.8241 45.3356 51.266 in (null):L-9999 (54) other bump:2.6312 Ang OG(366) at 30.1719 39.5663 54.5179 in (null):S-9999 (49) and NH2(395) at 31.6203 37.5439 55.3754 in (null):R-9999 (52) other bump:2.56889 Ang CA(94) at 36.056 36.163 56.092 in (null):A-9999 (14) and NH1(394) at 33.5589 36.7266 56.307 in (null):R-9999 (52) other bump:2.69503 Ang C(97) at 35.47 34.853 56.624 in (null):A-9999 (14) and NH1(394) at 33.5589 36.7266 56.307 in (null):R-9999 (52) other bump:2.20011 Ang N(98) at 34.196 34.621 56.337 in (null):L-9999 (15) and NH1(394) at 33.5589 36.7266 56.307 in (null):R-9999 (52) other bump:2.34073 Ang CG1(359) at 34.1297 38.425 57.8132 in (null):V-9999 (48) and NH1(394) at 33.5589 36.7266 56.307 in (null):R-9999 (52) other bump:3.12051 Ang CG1(359) at 34.1297 38.425 57.8132 in (null):V-9999 (48) and CZ(393) at 32.8883 37.1643 55.2428 in (null):R-9999 (52) other bump:1.95121 Ang CB(95) at 36.392 36.023 54.6 in (null):A-9999 (14) and CD(391) at 34.8343 36.835 53.7507 in (null):R-9999 (52) other bump:2.72506 Ang CA(94) at 36.056 36.163 56.092 in (null):A-9999 (14) and CD(391) at 34.8343 36.835 53.7507 in (null):R-9999 (52) other bump:2.32416 Ang CB(95) at 36.392 36.023 54.6 in (null):A-9999 (14) and CG(390) at 35.7614 38.0506 53.655 in (null):R-9999 (52) other bump:3.09655 Ang CA(94) at 36.056 36.163 56.092 in (null):A-9999 (14) and CG(390) at 35.7614 38.0506 53.655 in (null):R-9999 (52) other bump:2.68421 Ang CE2(78) at 40.3455 42.8454 54.2982 in (null):W-9999 (12) and O(385) at 38.224 42.211 52.781 in (null):R-9999 (51) other bump:2.54951 Ang NE1(80) at 40.138 41.4918 54.304 in (null):W-9999 (12) and O(385) at 38.224 42.211 52.781 in (null):R-9999 (51) other bump:2.48076 Ang CZ2(81) at 40.0544 43.7983 53.3142 in (null):W-9999 (12) and O(385) at 38.224 42.211 52.781 in (null):R-9999 (51) other bump:2.12717 Ang CG(351) at 33.9153 45.1292 60.0524 in (null):N-9999 (47) and NH2(384) at 35.2984 43.6037 60.586 in (null):R-9999 (51) other bump:1.0264 Ang ND2(352) at 34.762 44.4561 60.7838 in (null):N-9999 (47) and NH2(384) at 35.2984 43.6037 60.586 in (null):R-9999 (51) other bump:2.36149 Ang ND2(352) at 34.762 44.4561 60.7838 in (null):N-9999 (47) and NH1(383) at 36.7042 45.1395 59.6273 in (null):R-9999 (51) other bump:2.71506 Ang CG(351) at 33.9153 45.1292 60.0524 in (null):N-9999 (47) and CZ(382) at 36.3099 43.8808 59.7716 in (null):R-9999 (51) other bump:1.9369 Ang ND2(352) at 34.762 44.4561 60.7838 in (null):N-9999 (47) and CZ(382) at 36.3099 43.8808 59.7716 in (null):R-9999 (51) other bump:3.26916 Ang CA(73) at 40.666 41.224 58.676 in (null):W-9999 (12) and CD(380) at 38.0318 43.0918 58.1666 in (null):R-9999 (51) other bump:1.47877 Ang O(346) at 30.808 43.8 56.048 in (null):L-9999 (46) and CD(373) at 31.7523 43.6641 54.9182 in (null):P-9999 (50) other bump:2.69407 Ang C(347) at 30.198 43.717 57.118 in (null):L-9999 (46) and CD(373) at 31.7523 43.6641 54.9182 in (null):P-9999 (50) other bump:2.13906 Ang O(346) at 30.808 43.8 56.048 in (null):L-9999 (46) and CG(372) at 31.5739 45.1264 54.5548 in (null):P-9999 (50) other bump:3.23256 Ang C(347) at 30.198 43.717 57.118 in (null):L-9999 (46) and CG(372) at 31.5739 45.1264 54.5548 in (null):P-9999 (50) other bump:3.0937 Ang CD(325) at 32.9889 41.0109 62.612 in (null):R-9999 (44) and CG2(360) at 33.8052 39.7626 59.9016 in (null):V-9999 (48) other bump:2.39623 Ang NE(326) at 34.1153 40.1531 62.2454 in (null):R-9999 (44) and CG2(360) at 33.8052 39.7626 59.9016 in (null):V-9999 (48) other bump:1.24488 Ang CZ(327) at 34.3091 39.6405 61.0334 in (null):R-9999 (44) and CG2(360) at 33.8052 39.7626 59.9016 in (null):V-9999 (48) other bump:0.401195 Ang NH1(328) at 33.4545 39.8895 60.0492 in (null):R-9999 (44) and CG2(360) at 33.8052 39.7626 59.9016 in (null):V-9999 (48) other bump:2.01113 Ang NH2(329) at 35.3728 38.8792 60.8 in (null):R-9999 (44) and CG2(360) at 33.8052 39.7626 59.9016 in (null):V-9999 (48) other bump:2.75685 Ang NH1(328) at 33.4545 39.8895 60.0492 in (null):R-9999 (44) and CG1(359) at 34.1297 38.425 57.8132 in (null):V-9999 (48) other bump:2.75923 Ang CZ(327) at 34.3091 39.6405 61.0334 in (null):R-9999 (44) and CB(358) at 33.4123 39.6149 58.4241 in (null):V-9999 (48) other bump:1.64872 Ang NH1(328) at 33.4545 39.8895 60.0492 in (null):R-9999 (44) and CB(358) at 33.4123 39.6149 58.4241 in (null):V-9999 (48) other bump:2.65402 Ang NH1(328) at 33.4545 39.8895 60.0492 in (null):R-9999 (44) and CA(357) at 33.784 40.962 57.644 in (null):V-9999 (48) other bump:2.19789 Ang CD1(255) at 24.4029 36.3905 65.5428 in (null):L-9999 (35) and O(296) at 25.967 37.819 66.129 in (null):F-9999 (40) other bump:3.0407 Ang CG2(247) at 30.4078 34.1181 63.9356 in (null):I-9999 (34) and CZ(295) at 32.924 35.68 64.625 in (null):F-9999 (40) other bump:2.85201 Ang CG2(247) at 30.4078 34.1181 63.9356 in (null):I-9999 (34) and CE2(294) at 32.274 36.234 63.518 in (null):F-9999 (40) other bump:2.50099 Ang CG1(275) at 31.3947 33.5561 67.1704 in (null):V-9999 (38) and CE1(293) at 32.215 35.492 65.816 in (null):F-9999 (40) other bump:2.5508 Ang CG2(247) at 30.4078 34.1181 63.9356 in (null):I-9999 (34) and CD2(292) at 30.92 36.595 63.605 in (null):F-9999 (40) other bump:2.6825 Ang CG1(275) at 31.3947 33.5561 67.1704 in (null):V-9999 (38) and CD1(291) at 30.865 35.853 65.89 in (null):F-9999 (40) other bump:2.65301 Ang CG2(247) at 30.4078 34.1181 63.9356 in (null):I-9999 (34) and CD1(291) at 30.865 35.853 65.89 in (null):F-9999 (40) other bump:2.45062 Ang CG2(247) at 30.4078 34.1181 63.9356 in (null):I-9999 (34) and CG(290) at 30.205 36.406 64.79 in (null):F-9999 (40) neighbor-bump: 2.64736 Ang C(271) at 28.489 31.604 69.268 in (null):A-9999 (37) and CB(274) at 30.5966 32.5421 67.9693 in (null):V-9999 (38) other bump:2.38044 Ang O(249) at 28.585 33.728 66.447 in (null):I-9999 (34) and O(270) at 28.22 32.196 68.232 in (null):A-9999 (37) other bump:2.7662 Ang C(250) at 28.21 32.948 65.57 in (null):I-9999 (34) and O(270) at 28.22 32.196 68.232 in (null):A-9999 (37) other bump:2.89411 Ang CZ(199) at 20.305 30.7846 59.3856 in (null):F-9999 (28) and CD2(231) at 21.4755 30.6737 62.0301 in (null):L-9999 (32) other bump:2.48977 Ang CE2(198) at 20.368 29.4292 59.0537 in (null):F-9999 (28) and CD1(230) at 21.5011 28.3957 61.0151 in (null):L-9999 (32) other bump:2.50916 Ang CA(171) at 26.673 22.252 55.071 in (null):M-9999 (25) and OE1(207) at 27.1689 22.9692 57.4238 in (null):E-9999 (29) other bump:1.89543 Ang CB(172) at 28.0201 22.8304 55.7359 in (null):M-9999 (25) and OE1(207) at 27.1689 22.9692 57.4238 in (null):E-9999 (29) other bump:3.02775 Ang CB(172) at 28.0201 22.8304 55.7359 in (null):M-9999 (25) and CD(206) at 27.2791 23.2425 58.6425 in (null):E-9999 (29) other bump:1.79386 Ang CB(154) at 31.246 20.213 55.996 in (null):F-9999 (23) and CE(175) at 31.0581 21.9499 56.4033 in (null):M-9999 (25) other bump:2.48001 Ang CG(155) at 32.749 20.173 56.037 in (null):F-9999 (23) and CE(175) at 31.0581 21.9499 56.4033 in (null):M-9999 (25) other bump:2.70746 Ang CD2(157) at 33.497 21.207 55.492 in (null):F-9999 (23) and CE(175) at 31.0581 21.9499 56.4033 in (null):M-9999 (25) neighbor-bump: 2.26773 Ang O(161) at 28.57 19.422 56.779 in (null):F-9999 (23) and OG1(167) at 27.7579 17.3047 56.7855 in (null):T-9999 (24) neighbor-bump: 2.35272 Ang C(162) at 29.09 18.955 55.767 in (null):F-9999 (23) and OG1(167) at 27.7579 17.3047 56.7855 in (null):T-9999 (24) other bump:2.39012 Ang CG1(36) at 39.4707 37.6729 63.0425 in (null):V-9999 (6) and CG2(90) at 39.1697 37.5849 60.673 in (null):V-9999 (13) T0147_twice 410 :SRKGSEDNCREVAAAVRDA 1a4mA 333 :SFLPEEEKKELLERLYREY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues Number of specific fragments= 14 total=14 Number of alignments=1 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1a4mA/T0147_twice-1a4mA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1a4mA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1a4mA/T0147_twice-1a4mA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1a4mA in template set T0147_twice 1 :M 1a4mA 4 :T Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0147_twice 3 :PVDLHMH 1a4mA 11 :KVELHVH Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:0.974668 Ang CG(19) at 32.9377 31.2559 49.8201 in (null):D-9999 (3) and CE(47) at 32.7975 30.7877 48.9769 in (null):M-9999 (6) other bump:1.444 Ang OD2(21) at 32.1194 30.3843 50.1863 in (null):D-9999 (3) and CE(47) at 32.7975 30.7877 48.9769 in (null):M-9999 (6) other bump:1.93279 Ang CB(18) at 32.4157 32.6224 49.4498 in (null):D-9999 (3) and CE(47) at 32.7975 30.7877 48.9769 in (null):M-9999 (6) other bump:1.58852 Ang OD1(20) at 34.1646 31.0174 49.7525 in (null):D-9999 (3) and CE(47) at 32.7975 30.7877 48.9769 in (null):M-9999 (6) other bump:2.3361 Ang CG(19) at 32.9377 31.2559 49.8201 in (null):D-9999 (3) and SD(46) at 32.0918 29.1769 49.1723 in (null):M-9999 (6) other bump:1.57693 Ang OD2(21) at 32.1194 30.3843 50.1863 in (null):D-9999 (3) and SD(46) at 32.0918 29.1769 49.1723 in (null):M-9999 (6) other bump:2.83206 Ang OD1(20) at 34.1646 31.0174 49.7525 in (null):D-9999 (3) and SD(46) at 32.0918 29.1769 49.1723 in (null):M-9999 (6) other bump:3.04721 Ang CG(19) at 32.9377 31.2559 49.8201 in (null):D-9999 (3) and CG(45) at 33.5262 28.2666 49.7639 in (null):M-9999 (6) other bump:2.57725 Ang OD2(21) at 32.1194 30.3843 50.1863 in (null):D-9999 (3) and CG(45) at 33.5262 28.2666 49.7639 in (null):M-9999 (6) T0147_twice 14 :THAYSTLSDYIAQAKQKGIK 1a4mA 18 :LDGAIKPETILYFGKKRGIA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.8524 Ang CE(133) at 33.7923 8.47214 34.5791 in (null):K-9999 (17) and CD1(146) at 34.725 6.15 35.948 in (null):I-9999 (19) other bump:2.15374 Ang OG(39) at 31.025 16.8951 44.286 in (null):S-9999 (5) and OH(80) at 32.8911 16.0548 43.615 in (null):Y-9999 (10) other bump:2.12688 Ang OG(39) at 31.025 16.8951 44.286 in (null):S-9999 (5) and CZ(79) at 31.8889 15.1433 43.4442 in (null):Y-9999 (10) other bump:2.2713 Ang CB(38) at 30.5131 17.8476 43.3642 in (null):S-9999 (5) and CE1(77) at 30.5713 15.5777 43.3093 in (null):Y-9999 (10) other bump:1.70158 Ang OG(39) at 31.025 16.8951 44.286 in (null):S-9999 (5) and CE1(77) at 30.5713 15.5777 43.3093 in (null):Y-9999 (10) other bump:2.98969 Ang C(1) at 35.793 23.524 45.953 in (null):G-9999 (0) and CD2(29) at 33.2383 24.7198 46.9437 in (null):Y-9999 (4) other bump:2.43549 Ang O(0) at 34.819 22.942 46.422 in (null):G-9999 (0) and CD2(29) at 33.2383 24.7198 46.9437 in (null):Y-9999 (4) T0147_twice 41 :GPDMEDAPHH 1a4mA 38 :LPADTVEELR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.54855 Ang O(44) at 22.884 10.889 48.748 in (null):D-9999 (6) and CD2(72) at 23.3766 13.381 48.9539 in (null):H-9999 (10) other bump:3.21902 Ang CB(15) at 26.2967 5.73978 48.271 in (null):D-9999 (3) and CA(59) at 25.825 8.806 49.13 in (null):H-9999 (9) other bump:3.04202 Ang CG(16) at 26.8457 5.98905 49.6562 in (null):D-9999 (3) and CA(59) at 25.825 8.806 49.13 in (null):H-9999 (9) other bump:2.16547 Ang OD2(18) at 26.9782 7.18374 49.9831 in (null):D-9999 (3) and CA(59) at 25.825 8.806 49.13 in (null):H-9999 (9) other bump:3.09211 Ang CG(16) at 26.8457 5.98905 49.6562 in (null):D-9999 (3) and N(58) at 24.636 8.152 49.645 in (null):H-9999 (9) other bump:3.06643 Ang CG(16) at 26.8457 5.98905 49.6562 in (null):D-9999 (3) and C(57) at 24.567 7.645 50.868 in (null):P-9999 (8) other bump:2.60951 Ang OD2(18) at 26.9782 7.18374 49.9831 in (null):D-9999 (3) and C(57) at 24.567 7.645 50.868 in (null):P-9999 (8) other bump:2.29043 Ang OD2(18) at 26.9782 7.18374 49.9831 in (null):D-9999 (3) and O(56) at 25.505 7.667 51.669 in (null):P-9999 (8) T0147_twice 53 :FINMRIW 1a4mA 79 :IKRIAYE Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.48647 Ang CG(24) at 26.9019 19.3392 35.2132 in (null):N-9999 (3) and CH2(67) at 25.7199 17.7812 36.7488 in (null):W-9999 (7) other bump:1.31692 Ang ND2(25) at 26.6644 18.5152 36.1978 in (null):N-9999 (3) and CH2(67) at 25.7199 17.7812 36.7488 in (null):W-9999 (7) other bump:3.04541 Ang CG(24) at 26.9019 19.3392 35.2132 in (null):N-9999 (3) and CZ3(66) at 26.4698 18.0099 37.9189 in (null):W-9999 (7) other bump:1.80426 Ang ND2(25) at 26.6644 18.5152 36.1978 in (null):N-9999 (3) and CZ3(66) at 26.4698 18.0099 37.9189 in (null):W-9999 (7) other bump:2.1604 Ang CG(24) at 26.9019 19.3392 35.2132 in (null):N-9999 (3) and CZ2(65) at 25.0254 18.7928 36.1337 in (null):W-9999 (7) other bump:1.66356 Ang ND2(25) at 26.6644 18.5152 36.1978 in (null):N-9999 (3) and CZ2(65) at 25.0254 18.7928 36.1337 in (null):W-9999 (7) other bump:2.13129 Ang OD1(26) at 26.0212 20.0302 34.7126 in (null):N-9999 (3) and CZ2(65) at 25.0254 18.7928 36.1337 in (null):W-9999 (7) other bump:2.52302 Ang OD1(26) at 26.0212 20.0302 34.7126 in (null):N-9999 (3) and NE1(64) at 24.5069 21.2461 36.3232 in (null):W-9999 (7) other bump:2.42324 Ang ND2(25) at 26.6644 18.5152 36.1978 in (null):N-9999 (3) and CE3(63) at 26.533 19.2795 38.4936 in (null):W-9999 (7) other bump:2.46212 Ang CG(24) at 26.9019 19.3392 35.2132 in (null):N-9999 (3) and CE2(62) at 25.089 20.069 36.7108 in (null):W-9999 (7) other bump:2.27139 Ang ND2(25) at 26.6644 18.5152 36.1978 in (null):N-9999 (3) and CE2(62) at 25.089 20.069 36.7108 in (null):W-9999 (7) other bump:2.20527 Ang OD1(26) at 26.0212 20.0302 34.7126 in (null):N-9999 (3) and CE2(62) at 25.089 20.069 36.7108 in (null):W-9999 (7) other bump:3.04445 Ang CG(24) at 26.9019 19.3392 35.2132 in (null):N-9999 (3) and CD2(61) at 25.8333 20.3316 37.8856 in (null):W-9999 (7) other bump:2.6151 Ang ND2(25) at 26.6644 18.5152 36.1978 in (null):N-9999 (3) and CD2(61) at 25.8333 20.3316 37.8856 in (null):W-9999 (7) T0147_twice 60 :PRVVDGVG 1a4mA 89 :MKAKEGVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0147_twice 71 :GIEANIKN 1a4mA 97 :YVEVRYSP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.45576 Ang O(34) at 38.737 24.68 44.331 in (null):N-9999 (5) and CG2(40) at 38.1992 23.2147 42.4351 in (null):I-9999 (6) T0147_twice 101 :HE 1a4mA 105 :HL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0147_twice 111 :ATNTQAMIATIASG 1a4mA 195 :PGHVEAYEGAVKNG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0147_twice 126 :VHIISHPGNPK 1a4mA 209 :IHRTVHAGEVG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.17165 Ang CB(64) at 43.9646 24.4481 59.062 in (null):N-9999 (9) and CD(74) at 44.99 22.6828 59.8025 in (null):P-9999 (10) neighbor-bump: 1.79377 Ang C(69) at 44.89 23.884 61.131 in (null):N-9999 (9) and CD(74) at 44.99 22.6828 59.8025 in (null):P-9999 (10) neighbor-bump: 2.29021 Ang CA(63) at 44.685 24.938 60.06 in (null):N-9999 (9) and CD(74) at 44.99 22.6828 59.8025 in (null):P-9999 (10) self-bump: 1.37982 Ang N(70) at 45.811 22.969 60.874 in (null):P-9999 (10) and CD(74) at 44.99 22.6828 59.8025 in (null):P-9999 (10) neighbor-bump: 2.83297 Ang C(69) at 44.89 23.884 61.131 in (null):N-9999 (9) and CG(73) at 44.5779 21.2569 60.1176 in (null):P-9999 (10) self-bump: 1.32477 Ang CA(63) at 44.685 24.938 60.06 in (null):N-9999 (9) and CB(64) at 43.9646 24.4481 59.062 in (null):N-9999 (9) neighbor-bump: 2.66713 Ang N(41) at 47.103 27.572 52.684 in (null):H-9999 (6) and CD(55) at 47.6673 28.566 55.0938 in (null):P-9999 (7) neighbor-bump: 2.35375 Ang CA(42) at 46.448 26.986 53.846 in (null):H-9999 (6) and CD(55) at 47.6673 28.566 55.0938 in (null):P-9999 (7) neighbor-bump: 1.71455 Ang C(50) at 47.569 26.871 54.855 in (null):H-9999 (6) and CD(55) at 47.6673 28.566 55.0938 in (null):P-9999 (7) other bump:1.93812 Ang O(39) at 47.073 29.626 53.584 in (null):S-9999 (5) and CD(55) at 47.6673 28.566 55.0938 in (null):P-9999 (7) other bump:2.45475 Ang C(40) at 47.398 28.871 52.673 in (null):S-9999 (5) and CD(55) at 47.6673 28.566 55.0938 in (null):P-9999 (7) T0147_twice 137 :YEIDVKAVAEAAAKHQVALEIN 1a4mA 241 :HTIEDEALYNRLLKENMHFEVC Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.8837 Ang O(84) at 51.529 42.279 61.637 in (null):A-9999 (11) and CD2(109) at 52.7464 42.3406 60.2009 in (null):H-9999 (15) other bump:2.68774 Ang C(85) at 51.578 41.289 62.381 in (null):A-9999 (11) and CD2(109) at 52.7464 42.3406 60.2009 in (null):H-9999 (15) other bump:2.54488 Ang O(84) at 51.529 42.279 61.637 in (null):A-9999 (11) and CG(108) at 52.1274 43.1721 59.3303 in (null):H-9999 (15) other bump:2.82154 Ang CA(3) at 46.925 28.39 65.122 in (null):Y-9999 (1) and OD2(36) at 48.332 27.832 67.5032 in (null):D-9999 (4) other bump:2.25318 Ang O(12) at 48.743 29.576 66.137 in (null):Y-9999 (1) and OD2(36) at 48.332 27.832 67.5032 in (null):D-9999 (4) other bump:2.88736 Ang C(13) at 47.882 29.578 65.248 in (null):Y-9999 (1) and OD2(36) at 48.332 27.832 67.5032 in (null):D-9999 (4) T0147_twice 159 :NSSFLHSRKG 1a4mA 268 :LTGAWDPKTT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:3.05338 Ang CD2(45) at 39.8737 20.9079 72.8456 in (null):H-9999 (6) and CB(59) at 37.8673 21.6481 75.025 in (null):R-9999 (8) T0147_twice 175 :EVAAAVRDAGGWVALGSDSHTAFTMGEFEECLKILDAVDFPPERILNVSPRRLLN 1a4mA 278 :HAVVRFKNDKANYSLNTDDPLIFKSTLDTDYQMTKKDMGFTEEEFKRLNINAAKS Fragment has 61 clashes (null) has 61 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 57 residues other bump:1.9547 Ang O(396) at 37.316 40.156 49.989 in (null):R-9999 (52) and OD1(419) at 38.8058 39.9176 51.2318 in (null):N-9999 (55) other bump:2.39018 Ang C(397) at 36.551 40.606 50.838 in (null):R-9999 (52) and OD1(419) at 38.8058 39.9176 51.2318 in (null):N-9999 (55) other bump:2.47922 Ang CA(388) at 36.546 40.034 52.245 in (null):R-9999 (52) and OD1(419) at 38.8058 39.9176 51.2318 in (null):N-9999 (55) other bump:2.97117 Ang NE1(80) at 40.138 41.4918 54.304 in (null):W-9999 (12) and CG(417) at 39.8802 39.8372 51.8496 in (null):N-9999 (55) other bump:2.96002 Ang NE1(80) at 40.138 41.4918 54.304 in (null):W-9999 (12) and CB(416) at 41.0537 40.7604 51.5858 in (null):N-9999 (55) other bump:2.84116 Ang CZ2(81) at 40.0544 43.7983 53.3142 in (null):W-9999 (12) and CB(408) at 38.8241 45.3356 51.266 in (null):L-9999 (54) other bump:2.79741 Ang CH2(83) at 40.3793 45.1065 53.5799 in (null):W-9999 (12) and CB(408) at 38.8241 45.3356 51.266 in (null):L-9999 (54) other bump:2.6312 Ang OG(366) at 30.1719 39.5663 54.5179 in (null):S-9999 (49) and NH2(395) at 31.6203 37.5439 55.3754 in (null):R-9999 (52) other bump:2.56889 Ang CA(94) at 36.056 36.163 56.092 in (null):A-9999 (14) and NH1(394) at 33.5589 36.7266 56.307 in (null):R-9999 (52) other bump:2.69503 Ang C(97) at 35.47 34.853 56.624 in (null):A-9999 (14) and NH1(394) at 33.5589 36.7266 56.307 in (null):R-9999 (52) other bump:2.20011 Ang N(98) at 34.196 34.621 56.337 in (null):L-9999 (15) and NH1(394) at 33.5589 36.7266 56.307 in (null):R-9999 (52) other bump:2.34073 Ang CG1(359) at 34.1297 38.425 57.8132 in (null):V-9999 (48) and NH1(394) at 33.5589 36.7266 56.307 in (null):R-9999 (52) other bump:3.12051 Ang CG1(359) at 34.1297 38.425 57.8132 in (null):V-9999 (48) and CZ(393) at 32.8883 37.1643 55.2428 in (null):R-9999 (52) other bump:1.95121 Ang CB(95) at 36.392 36.023 54.6 in (null):A-9999 (14) and CD(391) at 34.8343 36.835 53.7507 in (null):R-9999 (52) other bump:2.72506 Ang CA(94) at 36.056 36.163 56.092 in (null):A-9999 (14) and CD(391) at 34.8343 36.835 53.7507 in (null):R-9999 (52) other bump:2.32416 Ang CB(95) at 36.392 36.023 54.6 in (null):A-9999 (14) and CG(390) at 35.7614 38.0506 53.655 in (null):R-9999 (52) other bump:3.09655 Ang CA(94) at 36.056 36.163 56.092 in (null):A-9999 (14) and CG(390) at 35.7614 38.0506 53.655 in (null):R-9999 (52) other bump:2.68421 Ang CE2(78) at 40.3455 42.8454 54.2982 in (null):W-9999 (12) and O(385) at 38.224 42.211 52.781 in (null):R-9999 (51) other bump:2.54951 Ang NE1(80) at 40.138 41.4918 54.304 in (null):W-9999 (12) and O(385) at 38.224 42.211 52.781 in (null):R-9999 (51) other bump:2.48076 Ang CZ2(81) at 40.0544 43.7983 53.3142 in (null):W-9999 (12) and O(385) at 38.224 42.211 52.781 in (null):R-9999 (51) other bump:2.12717 Ang CG(351) at 33.9153 45.1292 60.0524 in (null):N-9999 (47) and NH2(384) at 35.2984 43.6037 60.586 in (null):R-9999 (51) other bump:1.0264 Ang ND2(352) at 34.762 44.4561 60.7838 in (null):N-9999 (47) and NH2(384) at 35.2984 43.6037 60.586 in (null):R-9999 (51) other bump:2.36149 Ang ND2(352) at 34.762 44.4561 60.7838 in (null):N-9999 (47) and NH1(383) at 36.7042 45.1395 59.6273 in (null):R-9999 (51) other bump:2.71506 Ang CG(351) at 33.9153 45.1292 60.0524 in (null):N-9999 (47) and CZ(382) at 36.3099 43.8808 59.7716 in (null):R-9999 (51) other bump:1.9369 Ang ND2(352) at 34.762 44.4561 60.7838 in (null):N-9999 (47) and CZ(382) at 36.3099 43.8808 59.7716 in (null):R-9999 (51) other bump:3.26916 Ang CA(73) at 40.666 41.224 58.676 in (null):W-9999 (12) and CD(380) at 38.0318 43.0918 58.1666 in (null):R-9999 (51) other bump:1.47877 Ang O(346) at 30.808 43.8 56.048 in (null):L-9999 (46) and CD(373) at 31.7523 43.6641 54.9182 in (null):P-9999 (50) other bump:2.69407 Ang C(347) at 30.198 43.717 57.118 in (null):L-9999 (46) and CD(373) at 31.7523 43.6641 54.9182 in (null):P-9999 (50) other bump:2.13906 Ang O(346) at 30.808 43.8 56.048 in (null):L-9999 (46) and CG(372) at 31.5739 45.1264 54.5548 in (null):P-9999 (50) other bump:3.23256 Ang C(347) at 30.198 43.717 57.118 in (null):L-9999 (46) and CG(372) at 31.5739 45.1264 54.5548 in (null):P-9999 (50) other bump:3.0937 Ang CD(325) at 32.9889 41.0109 62.612 in (null):R-9999 (44) and CG2(360) at 33.8052 39.7626 59.9016 in (null):V-9999 (48) other bump:2.39623 Ang NE(326) at 34.1153 40.1531 62.2454 in (null):R-9999 (44) and CG2(360) at 33.8052 39.7626 59.9016 in (null):V-9999 (48) other bump:1.24488 Ang CZ(327) at 34.3091 39.6405 61.0334 in (null):R-9999 (44) and CG2(360) at 33.8052 39.7626 59.9016 in (null):V-9999 (48) other bump:0.401195 Ang NH1(328) at 33.4545 39.8895 60.0492 in (null):R-9999 (44) and CG2(360) at 33.8052 39.7626 59.9016 in (null):V-9999 (48) other bump:2.01113 Ang NH2(329) at 35.3728 38.8792 60.8 in (null):R-9999 (44) and CG2(360) at 33.8052 39.7626 59.9016 in (null):V-9999 (48) other bump:2.75685 Ang NH1(328) at 33.4545 39.8895 60.0492 in (null):R-9999 (44) and CG1(359) at 34.1297 38.425 57.8132 in (null):V-9999 (48) other bump:2.75923 Ang CZ(327) at 34.3091 39.6405 61.0334 in (null):R-9999 (44) and CB(358) at 33.4123 39.6149 58.4241 in (null):V-9999 (48) other bump:1.64872 Ang NH1(328) at 33.4545 39.8895 60.0492 in (null):R-9999 (44) and CB(358) at 33.4123 39.6149 58.4241 in (null):V-9999 (48) other bump:2.65402 Ang NH1(328) at 33.4545 39.8895 60.0492 in (null):R-9999 (44) and CA(357) at 33.784 40.962 57.644 in (null):V-9999 (48) other bump:2.19789 Ang CD1(255) at 24.4029 36.3905 65.5428 in (null):L-9999 (35) and O(296) at 25.967 37.819 66.129 in (null):F-9999 (40) other bump:3.0407 Ang CG2(247) at 30.4078 34.1181 63.9356 in (null):I-9999 (34) and CZ(295) at 32.924 35.68 64.625 in (null):F-9999 (40) other bump:2.85201 Ang CG2(247) at 30.4078 34.1181 63.9356 in (null):I-9999 (34) and CE2(294) at 32.274 36.234 63.518 in (null):F-9999 (40) other bump:2.50099 Ang CG1(275) at 31.3947 33.5561 67.1704 in (null):V-9999 (38) and CE1(293) at 32.215 35.492 65.816 in (null):F-9999 (40) other bump:2.5508 Ang CG2(247) at 30.4078 34.1181 63.9356 in (null):I-9999 (34) and CD2(292) at 30.92 36.595 63.605 in (null):F-9999 (40) other bump:2.6825 Ang CG1(275) at 31.3947 33.5561 67.1704 in (null):V-9999 (38) and CD1(291) at 30.865 35.853 65.89 in (null):F-9999 (40) other bump:2.65301 Ang CG2(247) at 30.4078 34.1181 63.9356 in (null):I-9999 (34) and CD1(291) at 30.865 35.853 65.89 in (null):F-9999 (40) other bump:2.45062 Ang CG2(247) at 30.4078 34.1181 63.9356 in (null):I-9999 (34) and CG(290) at 30.205 36.406 64.79 in (null):F-9999 (40) neighbor-bump: 2.64736 Ang C(271) at 28.489 31.604 69.268 in (null):A-9999 (37) and CB(274) at 30.5966 32.5421 67.9693 in (null):V-9999 (38) other bump:2.38044 Ang O(249) at 28.585 33.728 66.447 in (null):I-9999 (34) and O(270) at 28.22 32.196 68.232 in (null):A-9999 (37) other bump:2.7662 Ang C(250) at 28.21 32.948 65.57 in (null):I-9999 (34) and O(270) at 28.22 32.196 68.232 in (null):A-9999 (37) other bump:2.89411 Ang CZ(199) at 20.305 30.7846 59.3856 in (null):F-9999 (28) and CD2(231) at 21.4755 30.6737 62.0301 in (null):L-9999 (32) other bump:2.48977 Ang CE2(198) at 20.368 29.4292 59.0537 in (null):F-9999 (28) and CD1(230) at 21.5011 28.3957 61.0151 in (null):L-9999 (32) other bump:2.50916 Ang CA(171) at 26.673 22.252 55.071 in (null):M-9999 (25) and OE1(207) at 27.1689 22.9692 57.4238 in (null):E-9999 (29) other bump:1.89543 Ang CB(172) at 28.0201 22.8304 55.7359 in (null):M-9999 (25) and OE1(207) at 27.1689 22.9692 57.4238 in (null):E-9999 (29) other bump:3.02775 Ang CB(172) at 28.0201 22.8304 55.7359 in (null):M-9999 (25) and CD(206) at 27.2791 23.2425 58.6425 in (null):E-9999 (29) other bump:1.79386 Ang CB(154) at 31.246 20.213 55.996 in (null):F-9999 (23) and CE(175) at 31.0581 21.9499 56.4033 in (null):M-9999 (25) other bump:2.48001 Ang CG(155) at 32.749 20.173 56.037 in (null):F-9999 (23) and CE(175) at 31.0581 21.9499 56.4033 in (null):M-9999 (25) other bump:2.70746 Ang CD2(157) at 33.497 21.207 55.492 in (null):F-9999 (23) and CE(175) at 31.0581 21.9499 56.4033 in (null):M-9999 (25) neighbor-bump: 2.26773 Ang O(161) at 28.57 19.422 56.779 in (null):F-9999 (23) and OG1(167) at 27.7579 17.3047 56.7855 in (null):T-9999 (24) neighbor-bump: 2.35272 Ang C(162) at 29.09 18.955 55.767 in (null):F-9999 (23) and OG1(167) at 27.7579 17.3047 56.7855 in (null):T-9999 (24) other bump:2.39012 Ang CG1(36) at 39.4707 37.6729 63.0425 in (null):V-9999 (6) and CG2(90) at 39.1697 37.5849 60.673 in (null):V-9999 (13) T0147_twice 410 :SRKGSEDNCREVAAAVRDA 1a4mA 333 :SFLPEEEKKELLERLYREY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues Number of specific fragments= 14 total=28 Number of alignments=2 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1add/T0147_twice-1add-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1add read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1add/T0147_twice-1add-2track-protein-STR-global-adpstyle5.pw.a2m.gz # adding 1add to template set 1add:# found chain 1add in template set T0147_twice 1 :M 1add 4 :T Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0147_twice 3 :PVDLHMH 1add 11 :KVELHVH Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:0.62507 Ang CG(19) at 4.06842 30.2916 28.8635 in (null):D-9999 (3) and CE(47) at 4.41934 29.7839 28.7643 in (null):M-9999 (6) other bump:0.835806 Ang OD1(20) at 4.20728 29.3026 28.1148 in (null):D-9999 (3) and CE(47) at 4.41934 29.7839 28.7643 in (null):M-9999 (6) other bump:1.52159 Ang OD2(21) at 3.72308 30.1786 30.0584 in (null):D-9999 (3) and CE(47) at 4.41934 29.7839 28.7643 in (null):M-9999 (6) other bump:1.95371 Ang CB(18) at 4.33718 31.6731 28.2731 in (null):D-9999 (3) and CE(47) at 4.41934 29.7839 28.7643 in (null):M-9999 (6) other bump:2.2236 Ang CG(19) at 4.06842 30.2916 28.8635 in (null):D-9999 (3) and SD(46) at 3.96968 28.1963 28.1255 in (null):M-9999 (6) other bump:1.1315 Ang OD1(20) at 4.20728 29.3026 28.1148 in (null):D-9999 (3) and SD(46) at 3.96968 28.1963 28.1255 in (null):M-9999 (6) other bump:2.77963 Ang OD2(21) at 3.72308 30.1786 30.0584 in (null):D-9999 (3) and SD(46) at 3.96968 28.1963 28.1255 in (null):M-9999 (6) other bump:2.58183 Ang OD1(20) at 4.20728 29.3026 28.1148 in (null):D-9999 (3) and CG(45) at 3.6847 27.301 29.6596 in (null):M-9999 (6) T0147_twice 14 :THAYSTLSDYIAQAKQKGIK 1add 18 :LDGAIKPETILYFGKKRGIA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.53533 Ang OG(39) at 7.91536 15.7922 25.8818 in (null):S-9999 (5) and CZ(79) at 9.55538 14.0568 26.7342 in (null):Y-9999 (10) other bump:1.98256 Ang OG(39) at 7.91536 15.7922 25.8818 in (null):S-9999 (5) and CE1(77) at 9.34063 14.4912 25.4273 in (null):Y-9999 (10) other bump:2.19626 Ang CB(38) at 8.88641 16.6347 25.2768 in (null):S-9999 (5) and CE1(77) at 9.34063 14.4912 25.4273 in (null):Y-9999 (10) other bump:2.2938 Ang O(0) at 7.102 21.969 30.273 in (null):G-9999 (0) and CD2(29) at 6.19349 23.5513 28.8829 in (null):Y-9999 (4) other bump:2.90816 Ang C(1) at 7.749 22.555 31.129 in (null):G-9999 (0) and CD2(29) at 6.19349 23.5513 28.8829 in (null):Y-9999 (4) T0147_twice 41 :GPDMEDAPHH 1add 38 :LPADTVEELR Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.15845 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and ND1(63) at 4.77248 7.36854 23.6571 in (null):H-9999 (9) other bump:2.60658 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and CG(61) at 4.56846 8.23715 22.6744 in (null):H-9999 (9) other bump:2.59596 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and CB(60) at 3.58142 8.0941 21.5073 in (null):H-9999 (9) other bump:2.55223 Ang CG(16) at 2.64446 5.30694 22.2543 in (null):D-9999 (3) and CA(59) at 2.123 7.798 22.063 in (null):H-9999 (9) other bump:2.66041 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and CA(59) at 2.123 7.798 22.063 in (null):H-9999 (9) other bump:1.87427 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and CA(59) at 2.123 7.798 22.063 in (null):H-9999 (9) other bump:2.72833 Ang CG(16) at 2.64446 5.30694 22.2543 in (null):D-9999 (3) and N(58) at 1.321 7.317 20.969 in (null):H-9999 (9) other bump:1.80905 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and N(58) at 1.321 7.317 20.969 in (null):H-9999 (9) other bump:2.98457 Ang CG(16) at 2.64446 5.30694 22.2543 in (null):D-9999 (3) and C(57) at 0.197 6.654 21.204 in (null):P-9999 (8) other bump:1.83591 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and C(57) at 0.197 6.654 21.204 in (null):P-9999 (8) other bump:2.05109 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and O(56) at -0.319 6.675 22.313 in (null):P-9999 (8) T0147_twice 53 :FINMRIW 1add 79 :IKRIAYE Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:1.57283 Ang ND2(25) at 15.5705 17.1646 19.9745 in (null):N-9999 (3) and CH2(67) at 14.584 16.7358 18.827 in (null):W-9999 (7) other bump:2.63436 Ang CG(24) at 16.5718 18.0022 20.0038 in (null):N-9999 (3) and CH2(67) at 14.584 16.7358 18.827 in (null):W-9999 (7) other bump:1.96238 Ang ND2(25) at 15.5705 17.1646 19.9745 in (null):N-9999 (3) and CZ3(66) at 13.6258 16.9393 19.8392 in (null):W-9999 (7) other bump:3.13615 Ang CG(24) at 16.5718 18.0022 20.0038 in (null):N-9999 (3) and CZ3(66) at 13.6258 16.9393 19.8392 in (null):W-9999 (7) other bump:2.0735 Ang ND2(25) at 15.5705 17.1646 19.9745 in (null):N-9999 (3) and CZ2(65) at 15.0506 17.7759 18.0626 in (null):W-9999 (7) other bump:2.47658 Ang CG(24) at 16.5718 18.0022 20.0038 in (null):N-9999 (3) and CZ2(65) at 15.0506 17.7759 18.0626 in (null):W-9999 (7) other bump:2.26221 Ang OD1(26) at 16.8785 18.6879 19.0345 in (null):N-9999 (3) and CZ2(65) at 15.0506 17.7759 18.0626 in (null):W-9999 (7) other bump:2.66989 Ang ND2(25) at 15.5705 17.1646 19.9745 in (null):N-9999 (3) and CE3(63) at 13.1179 18.212 20.1005 in (null):W-9999 (7) other bump:2.71201 Ang ND2(25) at 15.5705 17.1646 19.9745 in (null):N-9999 (3) and CE2(62) at 14.5406 19.0552 18.3253 in (null):W-9999 (7) other bump:2.83758 Ang CG(24) at 16.5718 18.0022 20.0038 in (null):N-9999 (3) and CE2(62) at 14.5406 19.0552 18.3253 in (null):W-9999 (7) other bump:2.47051 Ang OD1(26) at 16.8785 18.6879 19.0345 in (null):N-9999 (3) and CE2(62) at 14.5406 19.0552 18.3253 in (null):W-9999 (7) other bump:2.98509 Ang ND2(25) at 15.5705 17.1646 19.9745 in (null):N-9999 (3) and CD2(61) at 13.5776 19.293 19.3348 in (null):W-9999 (7) T0147_twice 60 :PRVVDGVG 1add 89 :MKAKEGVV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:3.23724 Ang NE(14) at 4.96534 29.9043 25.3258 in (null):R-9999 (2) and CG2(50) at 3.548 32.227 23.572 in (null):V-9999 (7) T0147_twice 71 :GIEANIKN 1add 97 :YVEVRYSP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues self-bump: 1.36936 Ang CA(54) at 17.344 19.932 36.946 in (null):N-9999 (8) and CB(55) at 18.488 20.6697 36.7967 in (null):N-9999 (8) T0147_twice 111 :ATNTQAMIATIASG 1add 195 :PGHVEAYEGAVKNG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0147_twice 126 :VHIISHPGNPK 1add 209 :IHRTVHAGEVG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.30882 Ang CB(64) at -3.01247 23.9807 41.3834 in (null):N-9999 (9) and CD(74) at -3.39794 22.2885 42.906 in (null):P-9999 (10) neighbor-bump: 1.66424 Ang C(69) at -4.742 23.265 42.808 in (null):N-9999 (9) and CD(74) at -3.39794 22.2885 42.906 in (null):P-9999 (10) neighbor-bump: 2.18601 Ang CA(63) at -3.803 24.38 42.416 in (null):N-9999 (9) and CD(74) at -3.39794 22.2885 42.906 in (null):P-9999 (10) neighbor-bump: 2.58391 Ang C(69) at -4.742 23.265 42.808 in (null):N-9999 (9) and CG(73) at -3.79887 20.8765 42.5216 in (null):P-9999 (10) self-bump: 1.36039 Ang CA(63) at -3.803 24.38 42.416 in (null):N-9999 (9) and CB(64) at -3.01247 23.9807 41.3834 in (null):N-9999 (9) neighbor-bump: 2.47712 Ang CA(42) at 2.849 26.128 42.914 in (null):H-9999 (6) and CD(55) at 1.84637 27.7403 44.505 in (null):P-9999 (7) neighbor-bump: 2.31623 Ang O(49) at 2.51 25.645 45.236 in (null):H-9999 (6) and CD(55) at 1.84637 27.7403 44.505 in (null):P-9999 (7) neighbor-bump: 1.78164 Ang C(50) at 1.991 25.997 44.167 in (null):H-9999 (6) and CD(55) at 1.84637 27.7403 44.505 in (null):P-9999 (7) other bump:1.82738 Ang O(39) at 3.074 28.761 43.616 in (null):S-9999 (5) and CD(55) at 1.84637 27.7403 44.505 in (null):P-9999 (7) other bump:2.37381 Ang C(40) at 4.067 28.059 43.729 in (null):S-9999 (5) and CD(55) at 1.84637 27.7403 44.505 in (null):P-9999 (7) T0147_twice 137 :YEIDVKAVAEAAAKHQVALEINNSS 1add 241 :HTIEDEALYNRLLKENMHFEVCPWS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.23499 Ang NZ(102) at -1.332 44.473 52.008 in (null):K-9999 (14) and NE2(112) at -1.11894 42.2641 51.7425 in (null):H-9999 (15) neighbor-bump: 2.40852 Ang CE(101) at -2.005 45.327 51.044 in (null):K-9999 (14) and CE1(111) at -0.598755 43.4744 51.6695 in (null):H-9999 (15) neighbor-bump: 1.2843 Ang NZ(102) at -1.332 44.473 52.008 in (null):K-9999 (14) and CE1(111) at -0.598755 43.4744 51.6695 in (null):H-9999 (15) neighbor-bump: 2.52785 Ang CE(101) at -2.005 45.327 51.044 in (null):K-9999 (14) and ND1(110) at -0.190354 43.6779 50.4296 in (null):H-9999 (15) neighbor-bump: 2.104 Ang NZ(102) at -1.332 44.473 52.008 in (null):K-9999 (14) and ND1(110) at -0.190354 43.6779 50.4296 in (null):H-9999 (15) other bump:2.57466 Ang CA(3) at -8.504 27.848 45.837 in (null):Y-9999 (1) and OD2(36) at -10.582 27.4927 47.315 in (null):D-9999 (4) other bump:2.7472 Ang CB(4) at -8.04954 26.6419 46.6749 in (null):Y-9999 (1) and OD2(36) at -10.582 27.4927 47.315 in (null):D-9999 (4) other bump:2.33411 Ang O(12) at -8.98 29.117 47.808 in (null):Y-9999 (1) and OD2(36) at -10.582 27.4927 47.315 in (null):D-9999 (4) other bump:2.76397 Ang C(13) at -8.374 29.053 46.741 in (null):Y-9999 (1) and OD2(36) at -10.582 27.4927 47.315 in (null):D-9999 (4) T0147_twice 168 :GSED 1add 266 :SYLT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 175 :EVAAAVRDAGGWVALGSDSHTAFTMGEFEECLKILDAVDFPPERILNVSPRRLLN 1add 278 :HAVVRFKNDKANYSLNTDDPLIFKSTLDTDYQMTKKDMGFTEEEFKRLNINAAKS Fragment has 60 clashes (null) has 60 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 57 residues other bump:2.41771 Ang CA(388) at 2.284 39.206 32.925 in (null):R-9999 (52) and OD1(419) at 3.88577 38.8884 34.7079 in (null):N-9999 (55) other bump:1.75235 Ang O(396) at 4.648 39.405 33.217 in (null):R-9999 (52) and OD1(419) at 3.88577 38.8884 34.7079 in (null):N-9999 (55) other bump:2.29682 Ang C(397) at 3.654 39.761 32.596 in (null):R-9999 (52) and OD1(419) at 3.88577 38.8884 34.7079 in (null):N-9999 (55) other bump:3.1856 Ang CA(388) at 2.284 39.206 32.925 in (null):R-9999 (52) and CG(417) at 3.44011 38.7687 35.861 in (null):N-9999 (55) other bump:3.04372 Ang NE1(80) at 1.14509 40.1534 37.3031 in (null):W-9999 (12) and CG(417) at 3.44011 38.7687 35.861 in (null):N-9999 (55) other bump:3.08486 Ang CE2(78) at 1.34581 41.4903 37.5217 in (null):W-9999 (12) and CB(416) at 3.80946 39.7117 36.9894 in (null):N-9999 (55) other bump:2.71889 Ang NE1(80) at 1.14509 40.1534 37.3031 in (null):W-9999 (12) and CB(416) at 3.80946 39.7117 36.9894 in (null):N-9999 (55) other bump:2.97218 Ang CZ2(81) at 2.39569 42.3231 37.1151 in (null):W-9999 (12) and CB(416) at 3.80946 39.7117 36.9894 in (null):N-9999 (55) other bump:2.90536 Ang CZ2(81) at 2.39569 42.3231 37.1151 in (null):W-9999 (12) and N(414) at 4.777 41.485 35.677 in (null):N-9999 (55) other bump:3.07389 Ang CH2(83) at 2.33862 43.645 37.4849 in (null):W-9999 (12) and CB(408) at 3.77386 44.3824 34.8686 in (null):L-9999 (54) other bump:2.91384 Ang CE2(78) at 1.34581 41.4903 37.5217 in (null):W-9999 (12) and O(385) at 2.099 41.138 34.729 in (null):R-9999 (51) other bump:2.68065 Ang CZ2(81) at 2.39569 42.3231 37.1151 in (null):W-9999 (12) and O(385) at 2.099 41.138 34.729 in (null):R-9999 (51) other bump:2.3624 Ang ND2(352) at -6.05497 44.0242 32.9661 in (null):N-9999 (47) and NH1(383) at -6.03699 43.2702 35.2049 in (null):R-9999 (51) other bump:2.8571 Ang ND2(352) at -6.05497 44.0242 32.9661 in (null):N-9999 (47) and CZ(382) at -5.19867 44.1732 35.6878 in (null):R-9999 (51) other bump:1.43371 Ang O(346) at -2.666 42.955 28.014 in (null):L-9999 (46) and CD(373) at -1.47963 42.8732 28.8149 in (null):P-9999 (50) other bump:2.63521 Ang C(347) at -3.829 42.98 27.626 in (null):L-9999 (46) and CD(373) at -1.47963 42.8732 28.8149 in (null):P-9999 (50) other bump:3.115 Ang C(355) at -3.915 42.435 30.707 in (null):N-9999 (47) and CD(373) at -1.47963 42.8732 28.8149 in (null):P-9999 (50) other bump:2.15606 Ang O(346) at -2.666 42.955 28.014 in (null):L-9999 (46) and CG(372) at -1.09953 44.3235 28.5815 in (null):P-9999 (50) other bump:3.18871 Ang C(347) at -3.829 42.98 27.626 in (null):L-9999 (46) and CG(372) at -1.09953 44.3235 28.5815 in (null):P-9999 (50) other bump:3.18533 Ang CD(325) at -8.71988 40.2153 31.6066 in (null):R-9999 (44) and CG2(360) at -5.79583 39.0781 32.1571 in (null):V-9999 (48) other bump:2.41542 Ang NE(326) at -8.14949 39.3416 32.6315 in (null):R-9999 (44) and CG2(360) at -5.79583 39.0781 32.1571 in (null):V-9999 (48) other bump:1.26088 Ang CZ(327) at -6.95248 38.7672 32.5512 in (null):R-9999 (44) and CG2(360) at -5.79583 39.0781 32.1571 in (null):V-9999 (48) other bump:0.775842 Ang NH1(328) at -6.17794 38.9634 31.4917 in (null):R-9999 (44) and CG2(360) at -5.79583 39.0781 32.1571 in (null):V-9999 (48) other bump:1.9024 Ang NH2(329) at -6.52112 37.9967 33.544 in (null):R-9999 (44) and CG2(360) at -5.79583 39.0781 32.1571 in (null):V-9999 (48) other bump:2.85489 Ang NH1(328) at -6.17794 38.9634 31.4917 in (null):R-9999 (44) and CG1(359) at -3.67154 37.7581 32.1364 in (null):V-9999 (48) other bump:2.27018 Ang O(91) at -2.746 37.794 34.209 in (null):V-9999 (13) and CG1(359) at -3.67154 37.7581 32.1364 in (null):V-9999 (48) other bump:2.73325 Ang CZ(327) at -6.95248 38.7672 32.5512 in (null):R-9999 (44) and CB(358) at -4.45799 38.8517 31.4372 in (null):V-9999 (48) other bump:1.72443 Ang NH1(328) at -6.17794 38.9634 31.4917 in (null):R-9999 (44) and CB(358) at -4.45799 38.8517 31.4372 in (null):V-9999 (48) other bump:3.07024 Ang NH2(329) at -6.52112 37.9967 33.544 in (null):R-9999 (44) and CB(358) at -4.45799 38.8517 31.4372 in (null):V-9999 (48) other bump:2.02668 Ang CD1(255) at -13.8203 35.9102 23.9441 in (null):L-9999 (35) and O(296) at -13.73 37.138 25.554 in (null):F-9999 (40) other bump:2.90794 Ang CG1(275) at -13.6426 32.8933 31.3662 in (null):V-9999 (38) and CE1(293) at -12.102 35.325 31.778 in (null):F-9999 (40) other bump:2.50373 Ang CG2(247) at -10.6351 33.6754 29.2113 in (null):I-9999 (34) and CD2(292) at -10.212 36.041 29.914 in (null):F-9999 (40) other bump:2.34176 Ang CG2(247) at -10.6351 33.6754 29.2113 in (null):I-9999 (34) and CG(290) at -11.516 35.823 29.521 in (null):F-9999 (40) other bump:2.85097 Ang CG2(247) at -10.6351 33.6754 29.2113 in (null):I-9999 (34) and CB(289) at -11.896 35.954 28.051 in (null):F-9999 (40) neighbor-bump: 2.17405 Ang O(270) at -14.99 31.416 28.708 in (null):A-9999 (37) and CB(274) at -14.6465 31.9071 30.7978 in (null):V-9999 (38) neighbor-bump: 2.45772 Ang C(271) at -16.073 30.943 29.044 in (null):A-9999 (37) and CB(274) at -14.6465 31.9071 30.7978 in (null):V-9999 (38) other bump:2.49227 Ang O(249) at -13.423 33.178 27.901 in (null):I-9999 (34) and O(270) at -14.99 31.416 28.708 in (null):A-9999 (37) other bump:2.92388 Ang CZ(199) at -8.07709 29.5228 18.5028 in (null):F-9999 (28) and CD2(231) at -10.3084 29.9582 20.3415 in (null):L-9999 (32) other bump:2.84272 Ang CD2(196) at -6.5339 27.8226 19.2791 in (null):F-9999 (28) and CD1(230) at -9.23672 27.714 20.1532 in (null):L-9999 (32) other bump:2.17723 Ang CE2(198) at -7.7344 28.1763 18.6467 in (null):F-9999 (28) and CD1(230) at -9.23672 27.714 20.1532 in (null):L-9999 (32) other bump:2.70929 Ang CZ(199) at -8.07709 29.5228 18.5028 in (null):F-9999 (28) and CD1(230) at -9.23672 27.714 20.1532 in (null):L-9999 (32) other bump:2.43322 Ang CA(171) at -2.932 21.503 24.104 in (null):M-9999 (25) and OE1(207) at -5.0344 22.2279 25.0914 in (null):E-9999 (29) other bump:1.55151 Ang CB(172) at -3.51655 22.1307 25.3978 in (null):M-9999 (25) and OE1(207) at -5.0344 22.2279 25.0914 in (null):E-9999 (29) other bump:2.69812 Ang CB(172) at -3.51655 22.1307 25.3978 in (null):M-9999 (25) and CD(206) at -6.18003 22.5529 25.484 in (null):E-9999 (29) other bump:2.52822 Ang CE1(136) at -0.347529 25.2439 25.3429 in (null):H-9999 (20) and N(182) at -1.074 27.074 23.757 in (null):E-9999 (27) other bump:2.53342 Ang CE1(136) at -0.347529 25.2439 25.3429 in (null):H-9999 (20) and C(181) at -1.949 26.091 23.572 in (null):G-9999 (26) other bump:2.63996 Ang ND1(135) at 0.0142805 23.9922 25.0174 in (null):H-9999 (20) and CA(179) at -1.453 24.78 22.969 in (null):G-9999 (26) other bump:2.65944 Ang CE1(136) at -0.347529 25.2439 25.3429 in (null):H-9999 (20) and CA(179) at -1.453 24.78 22.969 in (null):G-9999 (26) other bump:2.85745 Ang ND1(135) at 0.0142805 23.9922 25.0174 in (null):H-9999 (20) and C(177) at -1.881 22.448 23.538 in (null):M-9999 (25) other bump:2.4463 Ang ND1(135) at 0.0142805 23.9922 25.0174 in (null):H-9999 (20) and O(176) at -0.684 22.166 23.547 in (null):M-9999 (25) neighbor-bump: 1.8602 Ang O(161) at -4.469 18.355 26.454 in (null):F-9999 (23) and OG1(167) at -4.69381 16.6837 25.6687 in (null):T-9999 (24) neighbor-bump: 2.32649 Ang C(162) at -3.294 18.179 26.772 in (null):F-9999 (23) and OG1(167) at -4.69381 16.6837 25.6687 in (null):T-9999 (24) other bump:1.66405 Ang CB(112) at 0.384587 25.9468 28.0661 in (null):S-9999 (17) and NE2(137) at 0.285544 25.5938 26.4429 in (null):H-9999 (20) other bump:1.48932 Ang OG(113) at -0.0735264 26.8798 27.1026 in (null):S-9999 (17) and NE2(137) at 0.285544 25.5938 26.4429 in (null):H-9999 (20) other bump:2.90615 Ang CB(112) at 0.384587 25.9468 28.0661 in (null):S-9999 (17) and CE1(136) at -0.347529 25.2439 25.3429 in (null):H-9999 (20) other bump:2.41823 Ang OG(113) at -0.0735264 26.8798 27.1026 in (null):S-9999 (17) and CE1(136) at -0.347529 25.2439 25.3429 in (null):H-9999 (20) other bump:3.2612 Ang CA(111) at -0.151 26.225 29.368 in (null):S-9999 (17) and CD2(134) at 1.07462 24.5333 26.8637 in (null):H-9999 (20) other bump:1.97985 Ang CB(112) at 0.384587 25.9468 28.0661 in (null):S-9999 (17) and CD2(134) at 1.07462 24.5333 26.8637 in (null):H-9999 (20) other bump:2.62328 Ang OG(113) at -0.0735264 26.8798 27.1026 in (null):S-9999 (17) and CD2(134) at 1.07462 24.5333 26.8637 in (null):H-9999 (20) other bump:2.2912 Ang CG1(36) at -7.52929 37.1253 38.1043 in (null):V-9999 (6) and CG2(90) at -5.29989 36.8022 37.6861 in (null):V-9999 (13) T0147_twice 410 :SRKGSEDNCREVAAAVRDA 1add 333 :SFLPEEEKKELLERLYREY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.12482 Ang NZ(25) at 9.57295 41.5081 28.7186 in (null):K-9999 (3) and CG(83) at 8.03103 41.7727 27.2808 in (null):E-9999 (11) other bump:1.82622 Ang NZ(25) at 9.57295 41.5081 28.7186 in (null):K-9999 (3) and CB(82) at 8.88686 42.9119 27.7733 in (null):E-9999 (11) Number of specific fragments= 13 total=41 Number of alignments=3 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1add/T0147_twice-1add-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1add read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1add/T0147_twice-1add-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1add in template set T0147_twice 1 :M 1add 4 :T Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0147_twice 2 :YPVDLHMH 1add 10 :PKVELHVH Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:0.835806 Ang OD1(32) at 4.20728 29.3026 28.1148 in (null):D-9999 (4) and CE(59) at 4.41934 29.7839 28.7643 in (null):M-9999 (7) other bump:1.95371 Ang CB(30) at 4.33718 31.6731 28.2731 in (null):D-9999 (4) and CE(59) at 4.41934 29.7839 28.7643 in (null):M-9999 (7) other bump:0.62507 Ang CG(31) at 4.06842 30.2916 28.8635 in (null):D-9999 (4) and CE(59) at 4.41934 29.7839 28.7643 in (null):M-9999 (7) other bump:1.52159 Ang OD2(33) at 3.72308 30.1786 30.0584 in (null):D-9999 (4) and CE(59) at 4.41934 29.7839 28.7643 in (null):M-9999 (7) other bump:1.1315 Ang OD1(32) at 4.20728 29.3026 28.1148 in (null):D-9999 (4) and SD(58) at 3.96968 28.1963 28.1255 in (null):M-9999 (7) other bump:2.2236 Ang CG(31) at 4.06842 30.2916 28.8635 in (null):D-9999 (4) and SD(58) at 3.96968 28.1963 28.1255 in (null):M-9999 (7) other bump:2.77963 Ang OD2(33) at 3.72308 30.1786 30.0584 in (null):D-9999 (4) and SD(58) at 3.96968 28.1963 28.1255 in (null):M-9999 (7) other bump:2.58183 Ang OD1(32) at 4.20728 29.3026 28.1148 in (null):D-9999 (4) and CG(57) at 3.6847 27.301 29.6596 in (null):M-9999 (7) T0147_twice 14 :THAYSTLSDYIAQAKQKGIK 1add 18 :LDGAIKPETILYFGKKRGIA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.53533 Ang OG(39) at 7.91536 15.7922 25.8818 in (null):S-9999 (5) and CZ(79) at 9.55538 14.0568 26.7342 in (null):Y-9999 (10) other bump:1.98256 Ang OG(39) at 7.91536 15.7922 25.8818 in (null):S-9999 (5) and CE1(77) at 9.34063 14.4912 25.4273 in (null):Y-9999 (10) other bump:2.19626 Ang CB(38) at 8.88641 16.6347 25.2768 in (null):S-9999 (5) and CE1(77) at 9.34063 14.4912 25.4273 in (null):Y-9999 (10) other bump:2.2938 Ang O(0) at 7.102 21.969 30.273 in (null):G-9999 (0) and CD2(29) at 6.19349 23.5513 28.8829 in (null):Y-9999 (4) other bump:2.90816 Ang C(1) at 7.749 22.555 31.129 in (null):G-9999 (0) and CD2(29) at 6.19349 23.5513 28.8829 in (null):Y-9999 (4) T0147_twice 41 :GPDMEDAPHH 1add 38 :LPADTVEELR Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.15845 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and ND1(63) at 4.77248 7.36854 23.6571 in (null):H-9999 (9) other bump:2.60658 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and CG(61) at 4.56846 8.23715 22.6744 in (null):H-9999 (9) other bump:2.59596 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and CB(60) at 3.58142 8.0941 21.5073 in (null):H-9999 (9) other bump:2.55223 Ang CG(16) at 2.64446 5.30694 22.2543 in (null):D-9999 (3) and CA(59) at 2.123 7.798 22.063 in (null):H-9999 (9) other bump:2.66041 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and CA(59) at 2.123 7.798 22.063 in (null):H-9999 (9) other bump:1.87427 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and CA(59) at 2.123 7.798 22.063 in (null):H-9999 (9) other bump:2.72833 Ang CG(16) at 2.64446 5.30694 22.2543 in (null):D-9999 (3) and N(58) at 1.321 7.317 20.969 in (null):H-9999 (9) other bump:1.80905 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and N(58) at 1.321 7.317 20.969 in (null):H-9999 (9) other bump:2.98457 Ang CG(16) at 2.64446 5.30694 22.2543 in (null):D-9999 (3) and C(57) at 0.197 6.654 21.204 in (null):P-9999 (8) other bump:1.83591 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and C(57) at 0.197 6.654 21.204 in (null):P-9999 (8) other bump:2.05109 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and O(56) at -0.319 6.675 22.313 in (null):P-9999 (8) T0147_twice 51 :WHFINMRIW 1add 77 :EAIKRIAYE Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.57284 Ang ND2(49) at 15.5705 17.1646 19.9745 in (null):N-9999 (5) and CH2(91) at 14.584 16.7358 18.827 in (null):W-9999 (9) other bump:2.63437 Ang CG(48) at 16.5718 18.0022 20.0037 in (null):N-9999 (5) and CH2(91) at 14.584 16.7358 18.827 in (null):W-9999 (9) other bump:1.96238 Ang ND2(49) at 15.5705 17.1646 19.9745 in (null):N-9999 (5) and CZ3(90) at 13.6258 16.9393 19.8392 in (null):W-9999 (9) other bump:3.13615 Ang CG(48) at 16.5718 18.0022 20.0037 in (null):N-9999 (5) and CZ3(90) at 13.6258 16.9393 19.8392 in (null):W-9999 (9) other bump:2.07351 Ang ND2(49) at 15.5705 17.1646 19.9745 in (null):N-9999 (5) and CZ2(89) at 15.0506 17.7759 18.0626 in (null):W-9999 (9) other bump:2.47658 Ang CG(48) at 16.5718 18.0022 20.0037 in (null):N-9999 (5) and CZ2(89) at 15.0506 17.7759 18.0626 in (null):W-9999 (9) other bump:2.26222 Ang OD1(50) at 16.8785 18.6879 19.0345 in (null):N-9999 (5) and CZ2(89) at 15.0506 17.7759 18.0626 in (null):W-9999 (9) other bump:2.66989 Ang ND2(49) at 15.5705 17.1646 19.9745 in (null):N-9999 (5) and CE3(87) at 13.1179 18.212 20.1005 in (null):W-9999 (9) other bump:2.71201 Ang ND2(49) at 15.5705 17.1646 19.9745 in (null):N-9999 (5) and CE2(86) at 14.5406 19.0552 18.3252 in (null):W-9999 (9) other bump:2.83758 Ang CG(48) at 16.5718 18.0022 20.0037 in (null):N-9999 (5) and CE2(86) at 14.5406 19.0552 18.3252 in (null):W-9999 (9) other bump:2.47051 Ang OD1(50) at 16.8785 18.6879 19.0345 in (null):N-9999 (5) and CE2(86) at 14.5406 19.0552 18.3252 in (null):W-9999 (9) other bump:2.98509 Ang ND2(49) at 15.5705 17.1646 19.9745 in (null):N-9999 (5) and CD2(85) at 13.5776 19.293 19.3348 in (null):W-9999 (9) T0147_twice 60 :PRVVDGVGILR 1add 87 :VEMKAKEGVVY Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.30903 Ang CB(29) at 7.25235 29.5015 23.0429 in (null):V-9999 (4) and CD1(62) at 5.7885 30.8862 24.1705 in (null):I-9999 (9) other bump:1.23803 Ang CG1(30) at 6.80767 30.8891 23.4677 in (null):V-9999 (4) and CD1(62) at 5.7885 30.8862 24.1705 in (null):I-9999 (9) other bump:2.66486 Ang CG2(31) at 6.95523 28.4903 24.1602 in (null):V-9999 (4) and CD1(62) at 5.7885 30.8862 24.1705 in (null):I-9999 (9) other bump:3.01153 Ang CB(29) at 7.25235 29.5015 23.0429 in (null):V-9999 (4) and CG1(60) at 5.60556 32.0222 23.1048 in (null):I-9999 (9) other bump:1.69135 Ang CG1(30) at 6.80767 30.8891 23.4677 in (null):V-9999 (4) and CG1(60) at 5.60556 32.0222 23.1048 in (null):I-9999 (9) T0147_twice 72 :IEANIKN 1add 98 :VEVRYSP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues self-bump: 1.36936 Ang CA(50) at 17.344 19.932 36.946 in (null):N-9999 (7) and CB(51) at 18.488 20.6697 36.7967 in (null):N-9999 (7) T0147_twice 101 :HEPVFAPHDK 1add 105 :HLLANSKVDP Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.31267 Ang CB(4) at 17.307 16.844 40.706 in (null):H-9999 (1) and NE2(65) at 17.4878 14.5956 41.2163 in (null):H-9999 (8) other bump:3.12658 Ang C(11) at 16.893 15.757 38.536 in (null):H-9999 (1) and CD2(62) at 18.781 14.6461 40.7669 in (null):H-9999 (8) other bump:2.96349 Ang CA(3) at 17.623 16.895 39.223 in (null):H-9999 (1) and CD2(62) at 18.781 14.6461 40.7669 in (null):H-9999 (8) other bump:2.64713 Ang CB(4) at 17.307 16.844 40.706 in (null):H-9999 (1) and CD2(62) at 18.781 14.6461 40.7669 in (null):H-9999 (8) other bump:2.61123 Ang CG1(31) at 22.1681 14.3239 37.579 in (null):V-9999 (4) and O(49) at 24.126 13.726 39.2 in (null):A-9999 (6) self-bump: 1.30852 Ang N(21) at 16.475 15.375 35.459 in (null):P-9999 (3) and CD(25) at 15.6222 16.3206 35.7603 in (null):P-9999 (3) neighbor-bump: 2.21531 Ang CA(13) at 15.018 14.901 37.35 in (null):E-9999 (2) and CD(25) at 15.6222 16.3206 35.7603 in (null):P-9999 (3) neighbor-bump: 2.68521 Ang CB(14) at 13.5115 15.7088 37.3033 in (null):E-9999 (2) and CD(25) at 15.6222 16.3206 35.7603 in (null):P-9999 (3) neighbor-bump: 1.78974 Ang C(20) at 15.585 14.547 35.997 in (null):E-9999 (2) and CD(25) at 15.6222 16.3206 35.7603 in (null):P-9999 (3) neighbor-bump: 2.24231 Ang N(12) at 15.719 15.997 37.977 in (null):E-9999 (2) and CD(25) at 15.6222 16.3206 35.7603 in (null):P-9999 (3) self-bump: 2.16525 Ang N(21) at 16.475 15.375 35.459 in (null):P-9999 (3) and CG(24) at 15.445 16.9529 34.3924 in (null):P-9999 (3) T0147_twice 111 :ATNTQAMIATIASG 1add 195 :PGHVEAYEGAVKNG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0147_twice 126 :VHIISHPGNPK 1add 209 :IHRTVHAGEVG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.30882 Ang CB(64) at -3.01247 23.9807 41.3834 in (null):N-9999 (9) and CD(74) at -3.39794 22.2885 42.906 in (null):P-9999 (10) neighbor-bump: 1.66424 Ang C(69) at -4.742 23.265 42.808 in (null):N-9999 (9) and CD(74) at -3.39794 22.2885 42.906 in (null):P-9999 (10) neighbor-bump: 2.18601 Ang CA(63) at -3.803 24.38 42.416 in (null):N-9999 (9) and CD(74) at -3.39794 22.2885 42.906 in (null):P-9999 (10) neighbor-bump: 2.58391 Ang C(69) at -4.742 23.265 42.808 in (null):N-9999 (9) and CG(73) at -3.79887 20.8765 42.5216 in (null):P-9999 (10) self-bump: 1.36039 Ang CA(63) at -3.803 24.38 42.416 in (null):N-9999 (9) and CB(64) at -3.01247 23.9807 41.3834 in (null):N-9999 (9) neighbor-bump: 2.47712 Ang CA(42) at 2.849 26.128 42.914 in (null):H-9999 (6) and CD(55) at 1.84637 27.7403 44.505 in (null):P-9999 (7) neighbor-bump: 2.31623 Ang O(49) at 2.51 25.645 45.236 in (null):H-9999 (6) and CD(55) at 1.84637 27.7403 44.505 in (null):P-9999 (7) neighbor-bump: 1.78164 Ang C(50) at 1.991 25.997 44.167 in (null):H-9999 (6) and CD(55) at 1.84637 27.7403 44.505 in (null):P-9999 (7) other bump:1.82738 Ang O(39) at 3.074 28.761 43.616 in (null):S-9999 (5) and CD(55) at 1.84637 27.7403 44.505 in (null):P-9999 (7) other bump:2.37381 Ang C(40) at 4.067 28.059 43.729 in (null):S-9999 (5) and CD(55) at 1.84637 27.7403 44.505 in (null):P-9999 (7) T0147_twice 137 :YEIDVKAVAEAAAKHQVALEINNSS 1add 241 :HTIEDEALYNRLLKENMHFEVCPWS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.23499 Ang NZ(102) at -1.332 44.473 52.008 in (null):K-9999 (14) and NE2(112) at -1.11894 42.2641 51.7425 in (null):H-9999 (15) neighbor-bump: 2.40852 Ang CE(101) at -2.005 45.327 51.044 in (null):K-9999 (14) and CE1(111) at -0.598755 43.4744 51.6695 in (null):H-9999 (15) neighbor-bump: 1.2843 Ang NZ(102) at -1.332 44.473 52.008 in (null):K-9999 (14) and CE1(111) at -0.598755 43.4744 51.6695 in (null):H-9999 (15) neighbor-bump: 2.52785 Ang CE(101) at -2.005 45.327 51.044 in (null):K-9999 (14) and ND1(110) at -0.190354 43.6779 50.4296 in (null):H-9999 (15) neighbor-bump: 2.104 Ang NZ(102) at -1.332 44.473 52.008 in (null):K-9999 (14) and ND1(110) at -0.190354 43.6779 50.4296 in (null):H-9999 (15) other bump:2.57466 Ang CA(3) at -8.504 27.848 45.837 in (null):Y-9999 (1) and OD2(36) at -10.582 27.4927 47.315 in (null):D-9999 (4) other bump:2.7472 Ang CB(4) at -8.04954 26.6419 46.6749 in (null):Y-9999 (1) and OD2(36) at -10.582 27.4927 47.315 in (null):D-9999 (4) other bump:2.33411 Ang O(12) at -8.98 29.117 47.808 in (null):Y-9999 (1) and OD2(36) at -10.582 27.4927 47.315 in (null):D-9999 (4) other bump:2.76397 Ang C(13) at -8.374 29.053 46.741 in (null):Y-9999 (1) and OD2(36) at -10.582 27.4927 47.315 in (null):D-9999 (4) T0147_twice 168 :GSEDNCR 1add 266 :SYLTGAW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:3.0603 Ang CG(24) at -5.10413 19.8575 37.9982 in (null):D-9999 (4) and SG(40) at -5.42234 21.4075 40.6177 in (null):C-9999 (6) other bump:2.94853 Ang OD1(25) at -6.3119 20.1365 38.1103 in (null):D-9999 (4) and SG(40) at -5.42234 21.4075 40.6177 in (null):C-9999 (6) other bump:2.80162 Ang OD2(26) at -4.1264 20.6159 38.2633 in (null):D-9999 (4) and SG(40) at -5.42234 21.4075 40.6177 in (null):C-9999 (6) T0147_twice 175 :EVAAAVRDAGGWVALGSDSHTAFTMGEFEECLKILDAVDFPPERILNVSPRRLLN 1add 278 :HAVVRFKNDKANYSLNTDDPLIFKSTLDTDYQMTKKDMGFTEEEFKRLNINAAKS Fragment has 60 clashes (null) has 60 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 57 residues other bump:2.41771 Ang CA(388) at 2.284 39.206 32.925 in (null):R-9999 (52) and OD1(419) at 3.88577 38.8884 34.7079 in (null):N-9999 (55) other bump:1.75235 Ang O(396) at 4.648 39.405 33.217 in (null):R-9999 (52) and OD1(419) at 3.88577 38.8884 34.7079 in (null):N-9999 (55) other bump:2.29682 Ang C(397) at 3.654 39.761 32.596 in (null):R-9999 (52) and OD1(419) at 3.88577 38.8884 34.7079 in (null):N-9999 (55) other bump:3.1856 Ang CA(388) at 2.284 39.206 32.925 in (null):R-9999 (52) and CG(417) at 3.44011 38.7687 35.861 in (null):N-9999 (55) other bump:3.04372 Ang NE1(80) at 1.14509 40.1534 37.3031 in (null):W-9999 (12) and CG(417) at 3.44011 38.7687 35.861 in (null):N-9999 (55) other bump:3.08486 Ang CE2(78) at 1.34581 41.4903 37.5217 in (null):W-9999 (12) and CB(416) at 3.80946 39.7117 36.9894 in (null):N-9999 (55) other bump:2.71889 Ang NE1(80) at 1.14509 40.1534 37.3031 in (null):W-9999 (12) and CB(416) at 3.80946 39.7117 36.9894 in (null):N-9999 (55) other bump:2.97218 Ang CZ2(81) at 2.39569 42.3231 37.1151 in (null):W-9999 (12) and CB(416) at 3.80946 39.7117 36.9894 in (null):N-9999 (55) other bump:2.90536 Ang CZ2(81) at 2.39569 42.3231 37.1151 in (null):W-9999 (12) and N(414) at 4.777 41.485 35.677 in (null):N-9999 (55) other bump:3.07389 Ang CH2(83) at 2.33862 43.645 37.4849 in (null):W-9999 (12) and CB(408) at 3.77386 44.3824 34.8686 in (null):L-9999 (54) other bump:2.91384 Ang CE2(78) at 1.34581 41.4903 37.5217 in (null):W-9999 (12) and O(385) at 2.099 41.138 34.729 in (null):R-9999 (51) other bump:2.68065 Ang CZ2(81) at 2.39569 42.3231 37.1151 in (null):W-9999 (12) and O(385) at 2.099 41.138 34.729 in (null):R-9999 (51) other bump:2.3624 Ang ND2(352) at -6.05497 44.0242 32.9661 in (null):N-9999 (47) and NH1(383) at -6.03699 43.2702 35.2049 in (null):R-9999 (51) other bump:2.8571 Ang ND2(352) at -6.05497 44.0242 32.9661 in (null):N-9999 (47) and CZ(382) at -5.19867 44.1732 35.6878 in (null):R-9999 (51) other bump:1.43371 Ang O(346) at -2.666 42.955 28.014 in (null):L-9999 (46) and CD(373) at -1.47963 42.8732 28.8149 in (null):P-9999 (50) other bump:2.63521 Ang C(347) at -3.829 42.98 27.626 in (null):L-9999 (46) and CD(373) at -1.47963 42.8732 28.8149 in (null):P-9999 (50) other bump:3.115 Ang C(355) at -3.915 42.435 30.707 in (null):N-9999 (47) and CD(373) at -1.47963 42.8732 28.8149 in (null):P-9999 (50) other bump:2.15606 Ang O(346) at -2.666 42.955 28.014 in (null):L-9999 (46) and CG(372) at -1.09953 44.3235 28.5815 in (null):P-9999 (50) other bump:3.18871 Ang C(347) at -3.829 42.98 27.626 in (null):L-9999 (46) and CG(372) at -1.09953 44.3235 28.5815 in (null):P-9999 (50) other bump:3.18533 Ang CD(325) at -8.71988 40.2153 31.6066 in (null):R-9999 (44) and CG2(360) at -5.79583 39.0781 32.1571 in (null):V-9999 (48) other bump:2.41542 Ang NE(326) at -8.14949 39.3416 32.6315 in (null):R-9999 (44) and CG2(360) at -5.79583 39.0781 32.1571 in (null):V-9999 (48) other bump:1.26088 Ang CZ(327) at -6.95248 38.7672 32.5512 in (null):R-9999 (44) and CG2(360) at -5.79583 39.0781 32.1571 in (null):V-9999 (48) other bump:0.775842 Ang NH1(328) at -6.17794 38.9634 31.4917 in (null):R-9999 (44) and CG2(360) at -5.79583 39.0781 32.1571 in (null):V-9999 (48) other bump:1.9024 Ang NH2(329) at -6.52112 37.9967 33.544 in (null):R-9999 (44) and CG2(360) at -5.79583 39.0781 32.1571 in (null):V-9999 (48) other bump:2.85489 Ang NH1(328) at -6.17794 38.9634 31.4917 in (null):R-9999 (44) and CG1(359) at -3.67154 37.7581 32.1364 in (null):V-9999 (48) other bump:2.27018 Ang O(91) at -2.746 37.794 34.209 in (null):V-9999 (13) and CG1(359) at -3.67154 37.7581 32.1364 in (null):V-9999 (48) other bump:2.73325 Ang CZ(327) at -6.95248 38.7672 32.5512 in (null):R-9999 (44) and CB(358) at -4.45799 38.8517 31.4372 in (null):V-9999 (48) other bump:1.72443 Ang NH1(328) at -6.17794 38.9634 31.4917 in (null):R-9999 (44) and CB(358) at -4.45799 38.8517 31.4372 in (null):V-9999 (48) other bump:3.07024 Ang NH2(329) at -6.52112 37.9967 33.544 in (null):R-9999 (44) and CB(358) at -4.45799 38.8517 31.4372 in (null):V-9999 (48) other bump:2.02668 Ang CD1(255) at -13.8203 35.9102 23.9441 in (null):L-9999 (35) and O(296) at -13.73 37.138 25.554 in (null):F-9999 (40) other bump:2.90794 Ang CG1(275) at -13.6426 32.8933 31.3662 in (null):V-9999 (38) and CE1(293) at -12.102 35.325 31.778 in (null):F-9999 (40) other bump:2.50373 Ang CG2(247) at -10.6351 33.6754 29.2113 in (null):I-9999 (34) and CD2(292) at -10.212 36.041 29.914 in (null):F-9999 (40) other bump:2.34176 Ang CG2(247) at -10.6351 33.6754 29.2113 in (null):I-9999 (34) and CG(290) at -11.516 35.823 29.521 in (null):F-9999 (40) other bump:2.85097 Ang CG2(247) at -10.6351 33.6754 29.2113 in (null):I-9999 (34) and CB(289) at -11.896 35.954 28.051 in (null):F-9999 (40) neighbor-bump: 2.17405 Ang O(270) at -14.99 31.416 28.708 in (null):A-9999 (37) and CB(274) at -14.6465 31.9071 30.7978 in (null):V-9999 (38) neighbor-bump: 2.45772 Ang C(271) at -16.073 30.943 29.044 in (null):A-9999 (37) and CB(274) at -14.6465 31.9071 30.7978 in (null):V-9999 (38) other bump:2.49227 Ang O(249) at -13.423 33.178 27.901 in (null):I-9999 (34) and O(270) at -14.99 31.416 28.708 in (null):A-9999 (37) other bump:2.92388 Ang CZ(199) at -8.07709 29.5228 18.5028 in (null):F-9999 (28) and CD2(231) at -10.3084 29.9582 20.3415 in (null):L-9999 (32) other bump:2.84272 Ang CD2(196) at -6.5339 27.8226 19.2791 in (null):F-9999 (28) and CD1(230) at -9.23672 27.714 20.1532 in (null):L-9999 (32) other bump:2.17723 Ang CE2(198) at -7.7344 28.1763 18.6467 in (null):F-9999 (28) and CD1(230) at -9.23672 27.714 20.1532 in (null):L-9999 (32) other bump:2.70929 Ang CZ(199) at -8.07709 29.5228 18.5028 in (null):F-9999 (28) and CD1(230) at -9.23672 27.714 20.1532 in (null):L-9999 (32) other bump:2.43322 Ang CA(171) at -2.932 21.503 24.104 in (null):M-9999 (25) and OE1(207) at -5.0344 22.2279 25.0914 in (null):E-9999 (29) other bump:1.55151 Ang CB(172) at -3.51655 22.1307 25.3978 in (null):M-9999 (25) and OE1(207) at -5.0344 22.2279 25.0914 in (null):E-9999 (29) other bump:2.69812 Ang CB(172) at -3.51655 22.1307 25.3978 in (null):M-9999 (25) and CD(206) at -6.18003 22.5529 25.484 in (null):E-9999 (29) other bump:2.52822 Ang CE1(136) at -0.347529 25.2439 25.3429 in (null):H-9999 (20) and N(182) at -1.074 27.074 23.757 in (null):E-9999 (27) other bump:2.53342 Ang CE1(136) at -0.347529 25.2439 25.3429 in (null):H-9999 (20) and C(181) at -1.949 26.091 23.572 in (null):G-9999 (26) other bump:2.63996 Ang ND1(135) at 0.0142805 23.9922 25.0174 in (null):H-9999 (20) and CA(179) at -1.453 24.78 22.969 in (null):G-9999 (26) other bump:2.65944 Ang CE1(136) at -0.347529 25.2439 25.3429 in (null):H-9999 (20) and CA(179) at -1.453 24.78 22.969 in (null):G-9999 (26) other bump:2.85745 Ang ND1(135) at 0.0142805 23.9922 25.0174 in (null):H-9999 (20) and C(177) at -1.881 22.448 23.538 in (null):M-9999 (25) other bump:2.4463 Ang ND1(135) at 0.0142805 23.9922 25.0174 in (null):H-9999 (20) and O(176) at -0.684 22.166 23.547 in (null):M-9999 (25) neighbor-bump: 1.8602 Ang O(161) at -4.469 18.355 26.454 in (null):F-9999 (23) and OG1(167) at -4.69381 16.6837 25.6687 in (null):T-9999 (24) neighbor-bump: 2.32649 Ang C(162) at -3.294 18.179 26.772 in (null):F-9999 (23) and OG1(167) at -4.69381 16.6837 25.6687 in (null):T-9999 (24) other bump:1.66405 Ang CB(112) at 0.384587 25.9468 28.0661 in (null):S-9999 (17) and NE2(137) at 0.285544 25.5938 26.4429 in (null):H-9999 (20) other bump:1.48932 Ang OG(113) at -0.0735264 26.8798 27.1026 in (null):S-9999 (17) and NE2(137) at 0.285544 25.5938 26.4429 in (null):H-9999 (20) other bump:2.90615 Ang CB(112) at 0.384587 25.9468 28.0661 in (null):S-9999 (17) and CE1(136) at -0.347529 25.2439 25.3429 in (null):H-9999 (20) other bump:2.41823 Ang OG(113) at -0.0735264 26.8798 27.1026 in (null):S-9999 (17) and CE1(136) at -0.347529 25.2439 25.3429 in (null):H-9999 (20) other bump:3.2612 Ang CA(111) at -0.151 26.225 29.368 in (null):S-9999 (17) and CD2(134) at 1.07462 24.5333 26.8637 in (null):H-9999 (20) other bump:1.97985 Ang CB(112) at 0.384587 25.9468 28.0661 in (null):S-9999 (17) and CD2(134) at 1.07462 24.5333 26.8637 in (null):H-9999 (20) other bump:2.62328 Ang OG(113) at -0.0735264 26.8798 27.1026 in (null):S-9999 (17) and CD2(134) at 1.07462 24.5333 26.8637 in (null):H-9999 (20) other bump:2.2912 Ang CG1(36) at -7.52929 37.1253 38.1043 in (null):V-9999 (6) and CG2(90) at -5.29989 36.8022 37.6861 in (null):V-9999 (13) T0147_twice 410 :SRKGSEDNCREVAAAVRDA 1add 333 :SFLPEEEKKELLERLYREY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.12482 Ang NZ(25) at 9.57295 41.5081 28.7186 in (null):K-9999 (3) and CG(83) at 8.03103 41.7727 27.2808 in (null):E-9999 (11) other bump:1.82622 Ang NZ(25) at 9.57295 41.5081 28.7186 in (null):K-9999 (3) and CB(82) at 8.88686 42.9119 27.7733 in (null):E-9999 (11) Number of specific fragments= 14 total=55 Number of alignments=4 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1i60A/T0147_twice-1i60A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1i60A read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1i60A/T0147_twice-1i60A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # adding 1i60A to template set 1i60A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # found chain 1i60A in template set T0147_twice 1 :MYPV 1i60A 1 :MKLC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 17 :YSTLSDYIAQAKQKGIKLFAI 1i60A 13 :NSNLKLDLELCEKHGYDYIEI Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.58444 Ang CB(85) at 9.674 32.528 36.2 in (null):A-9999 (11) and CZ(152) at 8.10807 32.4694 36.4342 in (null):F-9999 (19) other bump:3.05182 Ang CA(84) at 11.047 33.185 36.029 in (null):A-9999 (11) and CZ(152) at 8.10807 32.4694 36.4342 in (null):F-9999 (19) other bump:2.64388 Ang CB(85) at 9.674 32.528 36.2 in (null):A-9999 (11) and CE2(151) at 7.17032 33.2794 35.8036 in (null):F-9999 (19) other bump:2.46193 Ang CB(85) at 9.674 32.528 36.2 in (null):A-9999 (11) and CE1(150) at 7.73826 31.316 37.1192 in (null):F-9999 (19) other bump:2.49068 Ang CG2(123) at 7.88913 31.2266 32.5936 in (null):I-9999 (16) and O(142) at 5.627 30.489 33.33 in (null):L-9999 (18) other bump:2.48971 Ang CB(85) at 9.674 32.528 36.2 in (null):A-9999 (11) and CD1(124) at 10.2145 30.7257 34.5696 in (null):I-9999 (16) other bump:2.97845 Ang CA(84) at 11.047 33.185 36.029 in (null):A-9999 (11) and CD1(124) at 10.2145 30.7257 34.5696 in (null):I-9999 (16) other bump:2.8409 Ang CB(16) at 11.331 28.946 45.301 in (null):S-9999 (2) and CZ(57) at 9.84538 27.5116 43.3501 in (null):Y-9999 (7) other bump:3.18503 Ang C(19) at 9.807 29.267 47.269 in (null):S-9999 (2) and CE1(55) at 9.68272 28.6427 44.1482 in (null):Y-9999 (7) other bump:2.03414 Ang CB(16) at 11.331 28.946 45.301 in (null):S-9999 (2) and CE1(55) at 9.68272 28.6427 44.1482 in (null):Y-9999 (7) other bump:3.10967 Ang CA(15) at 11.228 28.934 46.831 in (null):S-9999 (2) and CE1(55) at 9.68272 28.6427 44.1482 in (null):Y-9999 (7) other bump:2.23517 Ang OG(17) at 11.094 30.254 44.787 in (null):S-9999 (2) and CE1(55) at 9.68272 28.6427 44.1482 in (null):Y-9999 (7) other bump:2.55661 Ang O(25) at 8.216 31.8 44.893 in (null):T-9999 (3) and CD1(53) at 9.18583 29.8402 43.5683 in (null):Y-9999 (7) other bump:2.89893 Ang CB(16) at 11.331 28.946 45.301 in (null):S-9999 (2) and CD1(53) at 9.18583 29.8402 43.5683 in (null):Y-9999 (7) other bump:2.30166 Ang OG(17) at 11.094 30.254 44.787 in (null):S-9999 (2) and CD1(53) at 9.18583 29.8402 43.5683 in (null):Y-9999 (7) T0147_twice 41 :GPDMEDAPHHW 1i60A 34 :RTMDKLPEYLK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.60782 Ang O(44) at -1.231 32.914 48.209 in (null):D-9999 (6) and CD2(72) at -2.60076 34.8498 47.124 in (null):H-9999 (10) self-bump: 1.33915 Ang N(6) at -2.457 26.437 44.086 in (null):P-9999 (2) and CD(10) at -2.68841 26.0856 42.8146 in (null):P-9999 (2) neighbor-bump: 2.43561 Ang CA(3) at -0.272 26.302 43.03 in (null):G-9999 (1) and CD(10) at -2.68841 26.0856 42.8146 in (null):P-9999 (2) neighbor-bump: 2.07648 Ang C(5) at -1.236 26.961 44.013 in (null):G-9999 (1) and CD(10) at -2.68841 26.0856 42.8146 in (null):P-9999 (2) self-bump: 2.20096 Ang N(6) at -2.457 26.437 44.086 in (null):P-9999 (2) and CG(9) at -4.10065 26.5977 42.6311 in (null):P-9999 (2) T0147_twice 80 :DGEIDCSGKMFDSLDLIIAGFHEPVFAPHDK 1i60A 45 :DHSLDDLAEYFQTHHIKPLALNALVFFNNRD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.5853 Ang CG(234) at -20.7444 12.0073 50.3866 in (null):K-9999 (31) and N(240) at -21.835 13.173 48.353 in (null):G-9999 (32) neighbor-bump: 2.59448 Ang N(201) at -11.758 15.527 41.837 in (null):A-9999 (27) and CD(210) at -12.5071 13.7412 40.1105 in (null):P-9999 (28) self-bump: 2.06134 Ang N(176) at -7.629 21.238 40.966 in (null):P-9999 (24) and C(182) at -8.633 19.71 41.918 in (null):P-9999 (24) self-bump: 1.37379 Ang CA(177) at -8.89 21.205 41.674 in (null):P-9999 (24) and CB(178) at -9.92506 21.6551 40.8909 in (null):P-9999 (24) other bump:2.89018 Ang CE1(78) at 1.974 36.211 36.861 in (null):F-9999 (11) and CD1(134) at 0.649043 33.7463 37.584 in (null):I-9999 (18) other bump:2.87015 Ang CE2(79) at -0.051 36.472 38.148 in (null):F-9999 (11) and CD1(134) at 0.649043 33.7463 37.584 in (null):I-9999 (18) other bump:2.07816 Ang CZ(80) at 1.112 35.754 37.855 in (null):F-9999 (11) and CD1(134) at 0.649043 33.7463 37.584 in (null):I-9999 (18) other bump:2.46814 Ang CE2(79) at -0.051 36.472 38.148 in (null):F-9999 (11) and CG1(132) at -0.614344 34.3959 36.9379 in (null):I-9999 (18) other bump:2.38026 Ang CZ(80) at 1.112 35.754 37.855 in (null):F-9999 (11) and CG1(132) at -0.614344 34.3959 36.9379 in (null):I-9999 (18) T0147_twice 111 :ATNTQAMIATIASGNVHIISHPGNPK 1i60A 83 :ITEFKGMMETCKTLGVKYVVAVPLVT Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.97199 Ang CG(165) at -11.0618 9.54617 44.2604 in (null):N-9999 (24) and CE(182) at -11.6758 9.12525 47.1376 in (null):K-9999 (26) other bump:2.26849 Ang OD1(167) at -10.7754 10.1286 45.3132 in (null):N-9999 (24) and CE(182) at -11.6758 9.12525 47.1376 in (null):K-9999 (26) other bump:2.77417 Ang CG(165) at -11.0618 9.54617 44.2604 in (null):N-9999 (24) and CG(180) at -10.567 7.31518 45.8332 in (null):K-9999 (26) other bump:2.03502 Ang ND2(166) at -11.3753 8.25844 44.2214 in (null):N-9999 (24) and CG(180) at -10.567 7.31518 45.8332 in (null):K-9999 (26) other bump:2.54803 Ang CD1(76) at -9.83367 29.5987 37.004 in (null):I-9999 (11) and CG2(131) at -9.01367 27.219 36.6079 in (null):I-9999 (19) other bump:2.53379 Ang CG2(75) at -9.41635 32.2504 35.3526 in (null):I-9999 (11) and O(107) at -7.778 32.282 33.42 in (null):V-9999 (16) T0147_twice 137 :YEIDVKAVAE 1i60A 110 :QKIVKEEIKK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.7634 Ang CD2(7) at -14.5667 2.47419 45.2584 in (null):Y-9999 (1) and CG1(26) at -14.525 3.32 42.628 in (null):I-9999 (3) other bump:2.88679 Ang CE2(9) at -15.7669 1.91749 44.8244 in (null):Y-9999 (1) and CG1(26) at -14.525 3.32 42.628 in (null):I-9999 (3) neighbor-bump: 2.8859 Ang CE2(9) at -15.7669 1.91749 44.8244 in (null):Y-9999 (1) and O(21) at -14.466 -0.19 43.343 in (null):E-9999 (2) T0147_twice 168 :GSEDNCREVAAAVRDAGGWVALGSDSHTAFTMGEFEECLKILDAVDF 1i60A 120 :SSVDVLTELSDIAEPYGVKIALEFVGHPQCTVNTFEQAYEIVNTVNR Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:3.05678 Ang CG1(327) at -17.172 17.806 28.978 in (null):V-9999 (45) and CD2(344) at -19.1506 19.9899 28.166 in (null):F-9999 (47) other bump:2.86972 Ang NH2(100) at -18.424 23.8932 27.2428 in (null):R-9999 (14) and CB(341) at -17.4807 21.2153 26.8251 in (null):F-9999 (47) other bump:2.41799 Ang OE2(18) at -19.8553 13.1354 28.1341 in (null):E-9999 (3) and C(323) at -18.175 13.668 26.479 in (null):A-9999 (44) other bump:2.10623 Ang OE2(18) at -19.8553 13.1354 28.1341 in (null):E-9999 (3) and O(322) at -19.357 13.955 26.259 in (null):A-9999 (44) other bump:3.14676 Ang CD(16) at -19.5798 12.4386 29.1415 in (null):E-9999 (3) and CB(321) at -17.757 11.217 26.886 in (null):A-9999 (44) other bump:2.78518 Ang OE1(17) at -19.4905 11.1959 29.0658 in (null):E-9999 (3) and CB(321) at -17.757 11.217 26.886 in (null):A-9999 (44) other bump:2.55861 Ang SD(226) at -9.92638 9.97451 32.7985 in (null):M-9999 (32) and CD1(300) at -12.475 9.858 32.605 in (null):I-9999 (41) other bump:1.48392 Ang CE(227) at -11.4511 9.58523 33.6439 in (null):M-9999 (32) and CD1(300) at -12.475 9.858 32.605 in (null):I-9999 (41) other bump:3.07083 Ang CG(225) at -8.74682 8.86514 33.5707 in (null):M-9999 (32) and SG(275) at -6.60805 10.371 31.9619 in (null):C-9999 (38) other bump:3.44504 Ang SD(226) at -9.92638 9.97451 32.7985 in (null):M-9999 (32) and SG(275) at -6.60805 10.371 31.9619 in (null):C-9999 (38) other bump:2.23862 Ang CB(164) at -4.8692 11.0801 33.1805 in (null):S-9999 (24) and SG(275) at -6.60805 10.371 31.9619 in (null):C-9999 (38) other bump:2.7602 Ang OG(165) at -4.02131 11.3276 32.0731 in (null):S-9999 (24) and SG(275) at -6.60805 10.371 31.9619 in (null):C-9999 (38) other bump:2.92019 Ang SD(226) at -9.92638 9.97451 32.7985 in (null):M-9999 (32) and CA(273) at -8.773 10.383 30.147 in (null):C-9999 (38) other bump:3.11395 Ang CB(184) at -0.652 7.253 40.628 in (null):H-9999 (27) and CE2(211) at -1.89606 9.80137 41.9144 in (null):F-9999 (30) other bump:2.93179 Ang CG(171) at -1.27226 10.9742 39.3008 in (null):D-9999 (25) and CE2(211) at -1.89606 9.80137 41.9144 in (null):F-9999 (30) other bump:2.69167 Ang OD2(173) at -1.17776 11.7875 40.2458 in (null):D-9999 (25) and CE2(211) at -1.89606 9.80137 41.9144 in (null):F-9999 (30) other bump:2.70775 Ang CB(184) at -0.652 7.253 40.628 in (null):H-9999 (27) and CD2(209) at -2.61685 9.07948 40.9957 in (null):F-9999 (30) other bump:2.87588 Ang CG(171) at -1.27226 10.9742 39.3008 in (null):D-9999 (25) and CD2(209) at -2.61685 9.07948 40.9957 in (null):F-9999 (30) other bump:2.8292 Ang CG1(88) at -14.581 27.531 32.4573 in (null):V-9999 (13) and C(123) at -12.098 28.271 31.321 in (null):G-9999 (18) other bump:1.86988 Ang CG1(88) at -14.581 27.531 32.4573 in (null):V-9999 (13) and O(122) at -13.208 27.738 31.205 in (null):G-9999 (18) T0147_twice 247 :YPVDLHMHTVASTHAYSTLSDYIAQAKQKG 1i60A 167 :DNVGLVLDSFHFHAMGSNIESLKQADGKKI Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:3.1306 Ang CG(31) at -7.71721 20.272 25.7969 in (null):D-9999 (4) and N(236) at -4.66 20.846 26.15 in (null):G-9999 (31) other bump:1.55834 Ang OD1(32) at -7.59848 19.0686 25.4293 in (null):D-9999 (4) and C(231) at -6.875 18.735 24.09 in (null):K-9999 (29) other bump:2.72217 Ang OD2(33) at -7.27293 21.2234 25.1194 in (null):D-9999 (4) and C(231) at -6.875 18.735 24.09 in (null):K-9999 (29) other bump:2.44647 Ang CG(31) at -7.71721 20.272 25.7969 in (null):D-9999 (4) and C(231) at -6.875 18.735 24.09 in (null):K-9999 (29) other bump:0.818659 Ang OD1(32) at -7.59848 19.0686 25.4293 in (null):D-9999 (4) and O(230) at -7.126 18.424 25.252 in (null):K-9999 (29) other bump:2.01534 Ang CG(31) at -7.71721 20.272 25.7969 in (null):D-9999 (4) and O(230) at -7.126 18.424 25.252 in (null):K-9999 (29) other bump:2.42416 Ang OD1(32) at -7.59848 19.0686 25.4293 in (null):D-9999 (4) and CA(224) at -7.988 18.816 23.05 in (null):K-9999 (29) other bump:3.1207 Ang CG(31) at -7.71721 20.272 25.7969 in (null):D-9999 (4) and CA(224) at -7.988 18.816 23.05 in (null):K-9999 (29) other bump:2.54389 Ang O(164) at -4.154 8.861 20.811 in (null):D-9999 (21) and CG(194) at -4.88199 11.2077 21.4702 in (null):Q-9999 (25) other bump:3.3294 Ang SD(58) at 0.480393 13.8043 25.3961 in (null):M-9999 (7) and OH(175) at 1.29026 15.7166 22.7938 in (null):Y-9999 (22) other bump:2.4142 Ang CE(59) at 1.92983 14.7719 24.9214 in (null):M-9999 (7) and OH(175) at 1.29026 15.7166 22.7938 in (null):Y-9999 (22) other bump:2.92325 Ang SD(58) at 0.480393 13.8043 25.3961 in (null):M-9999 (7) and CZ(174) at 0.924689 14.4024 22.5694 in (null):Y-9999 (22) other bump:2.58435 Ang CE(59) at 1.92983 14.7719 24.9214 in (null):M-9999 (7) and CZ(174) at 0.924689 14.4024 22.5694 in (null):Y-9999 (22) other bump:2.38496 Ang SD(58) at 0.480393 13.8043 25.3961 in (null):M-9999 (7) and CE1(172) at -0.254146 13.9422 23.1313 in (null):Y-9999 (22) other bump:2.94324 Ang CE(59) at 1.92983 14.7719 24.9214 in (null):M-9999 (7) and CE1(172) at -0.254146 13.9422 23.1313 in (null):Y-9999 (22) other bump:2.93979 Ang SD(58) at 0.480393 13.8043 25.3961 in (null):M-9999 (7) and CD1(170) at -0.662416 12.643 22.9491 in (null):Y-9999 (22) other bump:2.78689 Ang CB(81) at 6.2225 11.997 34.6042 in (null):V-9999 (10) and NE2(111) at 6.52671 9.62473 36.0347 in (null):H-9999 (14) other bump:1.41674 Ang CG1(82) at 6.25165 10.981 35.7312 in (null):V-9999 (10) and NE2(111) at 6.52671 9.62473 36.0347 in (null):H-9999 (14) other bump:2.45657 Ang CG1(82) at 6.25165 10.981 35.7312 in (null):V-9999 (10) and CE1(110) at 6.3938 9.01083 37.1917 in (null):H-9999 (14) other bump:3.28567 Ang CG1(82) at 6.25165 10.981 35.7312 in (null):V-9999 (10) and ND1(109) at 5.3986 8.11449 37.0918 in (null):H-9999 (14) other bump:2.90376 Ang CA(80) at 5.809 11.34 33.3 in (null):V-9999 (10) and CD2(108) at 5.60231 9.10399 35.141 in (null):H-9999 (14) other bump:3.00706 Ang CB(81) at 6.2225 11.997 34.6042 in (null):V-9999 (10) and CD2(108) at 5.60231 9.10399 35.141 in (null):H-9999 (14) other bump:2.07197 Ang CG1(82) at 6.25165 10.981 35.7312 in (null):V-9999 (10) and CD2(108) at 5.60231 9.10399 35.141 in (null):H-9999 (14) other bump:1.84701 Ang O(84) at 4.611 9.284 33.593 in (null):V-9999 (10) and CD2(108) at 5.60231 9.10399 35.141 in (null):H-9999 (14) other bump:2.38807 Ang C(85) at 4.547 10.508 33.523 in (null):V-9999 (10) and CD2(108) at 5.60231 9.10399 35.141 in (null):H-9999 (14) other bump:3.11957 Ang CG1(82) at 6.25165 10.981 35.7312 in (null):V-9999 (10) and CG(107) at 4.89169 8.175 35.8246 in (null):H-9999 (14) other bump:2.50774 Ang O(84) at 4.611 9.284 33.593 in (null):V-9999 (10) and CG(107) at 4.89169 8.175 35.8246 in (null):H-9999 (14) neighbor-bump: 2.30172 Ang N(2) at -15.79 22.693 24.398 in (null):Y-9999 (1) and CD(18) at -15.3773 24.5051 25.7559 in (null):P-9999 (2) neighbor-bump: 2.24205 Ang CA(3) at -14.581 23.392 23.98 in (null):Y-9999 (1) and CD(18) at -15.3773 24.5051 25.7559 in (null):P-9999 (2) neighbor-bump: 2.65258 Ang CB(4) at -15.06 24.6361 23.1256 in (null):Y-9999 (1) and CD(18) at -15.3773 24.5051 25.7559 in (null):P-9999 (2) neighbor-bump: 1.86388 Ang C(13) at -13.735 23.851 25.165 in (null):Y-9999 (1) and CD(18) at -15.3773 24.5051 25.7559 in (null):P-9999 (2) self-bump: 1.27285 Ang N(14) at -14.355 24.012 26.332 in (null):P-9999 (2) and CD(18) at -15.3773 24.5051 25.7559 in (null):P-9999 (2) self-bump: 2.13012 Ang N(14) at -14.355 24.012 26.332 in (null):P-9999 (2) and CG(17) at -15.609 25.7027 26.6583 in (null):P-9999 (2) T0147_twice 328 :IDCSGKMFDSLDLIIAGFHEPVFAPHDKATNTQAMIATIASGNVHIIS 1i60A 197 :FIYHIDDTEDFPIGFLTDEDRVWPGQGAIDLDAHLSALKEIGFSDVVS Fragment has 85 clashes (null) has 85 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 50 residues self-bump: 1.38694 Ang CA(327) at 1.015 26.278 22.344 in (null):H-9999 (45) and CB(328) at -0.161628 26.9274 22.6866 in (null):H-9999 (45) neighbor-bump: 2.18588 Ang O(317) at 2.014 21.105 18.913 in (null):N-9999 (43) and CG2(323) at 2.44196 22.6482 17.4252 in (null):V-9999 (44) neighbor-bump: 2.64491 Ang C(318) at 1.005 21.627 19.397 in (null):N-9999 (43) and CG2(323) at 2.44196 22.6482 17.4252 in (null):V-9999 (44) other bump:2.43642 Ang CG2(284) at 2.38956 18.3365 21.208 in (null):T-9999 (38) and ND2(315) at 0.906577 19.4038 22.8198 in (null):N-9999 (43) other bump:2.71543 Ang SG(21) at 1.3168 19.1139 25.4883 in (null):C-9999 (3) and ND2(315) at 0.906577 19.4038 22.8198 in (null):N-9999 (43) other bump:2.79222 Ang CG2(284) at 2.38956 18.3365 21.208 in (null):T-9999 (38) and CG(314) at 0.501483 20.2756 21.8949 in (null):N-9999 (43) other bump:2.76151 Ang CG2(284) at 2.38956 18.3365 21.208 in (null):T-9999 (38) and CB(313) at 0.0753417 19.6839 20.5335 in (null):N-9999 (43) other bump:2.75834 Ang CG2(227) at 11.0404 7.42935 22.8377 in (null):T-9999 (30) and NE2(252) at 9.09497 5.62898 22.0744 in (null):Q-9999 (33) other bump:2.576 Ang CB(72) at 14.0264 3.53264 33.4622 in (null):S-9999 (10) and CE(215) at 16.5723 3.42474 33.0847 in (null):K-9999 (28) other bump:2.46063 Ang OG(73) at 13.0231 2.90682 32.6536 in (null):S-9999 (10) and CD(214) at 15.2898 3.82151 32.3705 in (null):K-9999 (28) other bump:1.69457 Ang CB(72) at 14.0264 3.53264 33.4622 in (null):S-9999 (10) and CD(214) at 15.2898 3.82151 32.3705 in (null):K-9999 (28) other bump:3.00949 Ang CA(71) at 13.64 3.773 34.887 in (null):S-9999 (10) and CD(214) at 15.2898 3.82151 32.3705 in (null):K-9999 (28) other bump:2.78684 Ang CB(72) at 14.0264 3.53264 33.4622 in (null):S-9999 (10) and CG(213) at 15.4344 5.18718 31.7168 in (null):K-9999 (28) other bump:3.15776 Ang CB(72) at 14.0264 3.53264 33.4622 in (null):S-9999 (10) and CB(212) at 14.0725 5.66511 31.1337 in (null):K-9999 (28) other bump:1.89702 Ang C(50) at 11.552 11.787 33.995 in (null):M-9999 (7) and OD2(207) at 13.2158 12.4884 33.4133 in (null):D-9999 (27) other bump:2.26942 Ang N(51) at 12.103 10.579 33.929 in (null):F-9999 (8) and OD2(207) at 13.2158 12.4884 33.4133 in (null):D-9999 (27) other bump:1.77857 Ang CA(44) at 11.576 12.651 32.744 in (null):M-9999 (7) and OD2(207) at 13.2158 12.4884 33.4133 in (null):D-9999 (27) other bump:2.61274 Ang CG2(166) at 15.153 12.105 35.124 in (null):V-9999 (22) and OD2(207) at 13.2158 12.4884 33.4133 in (null):D-9999 (27) other bump:0.641323 Ang CB(45) at 13.2157 13.0647 33.1319 in (null):M-9999 (7) and OD2(207) at 13.2158 12.4884 33.4133 in (null):D-9999 (27) other bump:2.02128 Ang CG(46) at 13.923 13.6883 31.9484 in (null):M-9999 (7) and OD2(207) at 13.2158 12.4884 33.4133 in (null):D-9999 (27) other bump:3.02971 Ang SD(47) at 15.6766 13.7875 32.2149 in (null):M-9999 (7) and OD2(207) at 13.2158 12.4884 33.4133 in (null):D-9999 (27) other bump:1.80405 Ang CE(48) at 15.9269 12.2059 33.0515 in (null):M-9999 (7) and OD1(206) at 14.9421 11.6176 34.4439 in (null):D-9999 (27) other bump:3.22556 Ang CG1(165) at 15.672 11.89 37.574 in (null):V-9999 (22) and OD1(206) at 14.9421 11.6176 34.4439 in (null):D-9999 (27) other bump:0.862839 Ang CG2(166) at 15.153 12.105 35.124 in (null):V-9999 (22) and OD1(206) at 14.9421 11.6176 34.4439 in (null):D-9999 (27) other bump:2.60695 Ang CB(45) at 13.2157 13.0647 33.1319 in (null):M-9999 (7) and OD1(206) at 14.9421 11.6176 34.4439 in (null):D-9999 (27) other bump:3.19628 Ang SD(47) at 15.6766 13.7875 32.2149 in (null):M-9999 (7) and OD1(206) at 14.9421 11.6176 34.4439 in (null):D-9999 (27) other bump:2.37715 Ang CB(164) at 15.478 12.856 36.401 in (null):V-9999 (22) and OD1(206) at 14.9421 11.6176 34.4439 in (null):D-9999 (27) other bump:2.59874 Ang C(50) at 11.552 11.787 33.995 in (null):M-9999 (7) and CG(205) at 14.1007 11.6137 33.5178 in (null):D-9999 (27) other bump:2.287 Ang N(51) at 12.103 10.579 33.929 in (null):F-9999 (8) and CG(205) at 14.1007 11.6137 33.5178 in (null):D-9999 (27) other bump:3.19553 Ang CA(52) at 12.082 9.727 35.123 in (null):F-9999 (8) and CG(205) at 14.1007 11.6137 33.5178 in (null):D-9999 (27) other bump:2.83701 Ang CA(44) at 11.576 12.651 32.744 in (null):M-9999 (7) and CG(205) at 14.1007 11.6137 33.5178 in (null):D-9999 (27) other bump:1.97565 Ang CE(48) at 15.9269 12.2059 33.0515 in (null):M-9999 (7) and CG(205) at 14.1007 11.6137 33.5178 in (null):D-9999 (27) other bump:1.98213 Ang CG2(166) at 15.153 12.105 35.124 in (null):V-9999 (22) and CG(205) at 14.1007 11.6137 33.5178 in (null):D-9999 (27) other bump:1.74288 Ang CB(45) at 13.2157 13.0647 33.1319 in (null):M-9999 (7) and CG(205) at 14.1007 11.6137 33.5178 in (null):D-9999 (27) other bump:2.60735 Ang CG(46) at 13.923 13.6883 31.9484 in (null):M-9999 (7) and CG(205) at 14.1007 11.6137 33.5178 in (null):D-9999 (27) other bump:2.98436 Ang SD(47) at 15.6766 13.7875 32.2149 in (null):M-9999 (7) and CG(205) at 14.1007 11.6137 33.5178 in (null):D-9999 (27) other bump:2.51159 Ang N(51) at 12.103 10.579 33.929 in (null):F-9999 (8) and CB(204) at 14.1511 10.5017 32.4773 in (null):D-9999 (27) other bump:2.52736 Ang CE(48) at 15.9269 12.2059 33.0515 in (null):M-9999 (7) and CB(204) at 14.1511 10.5017 32.4773 in (null):D-9999 (27) other bump:2.80585 Ang CB(45) at 13.2157 13.0647 33.1319 in (null):M-9999 (7) and CB(204) at 14.1511 10.5017 32.4773 in (null):D-9999 (27) other bump:2.41192 Ang CE(48) at 15.9269 12.2059 33.0515 in (null):M-9999 (7) and CA(203) at 15.727 9.954 32.211 in (null):D-9999 (27) other bump:1.66527 Ang CE(48) at 15.9269 12.2059 33.0515 in (null):M-9999 (7) and N(202) at 16.364 11.198 31.8 in (null):D-9999 (27) other bump:2.71112 Ang SD(47) at 15.6766 13.7875 32.2149 in (null):M-9999 (7) and N(202) at 16.364 11.198 31.8 in (null):D-9999 (27) other bump:1.8703 Ang CE(48) at 15.9269 12.2059 33.0515 in (null):M-9999 (7) and C(201) at 17.53 11.579 32.32 in (null):H-9999 (26) other bump:2.88505 Ang SD(47) at 15.6766 13.7875 32.2149 in (null):M-9999 (7) and C(201) at 17.53 11.579 32.32 in (null):H-9999 (26) other bump:2.64331 Ang SD(47) at 15.6766 13.7875 32.2149 in (null):M-9999 (7) and CB(194) at 18.1811 14.1442 32.9813 in (null):H-9999 (26) other bump:2.58382 Ang CE(48) at 15.9269 12.2059 33.0515 in (null):M-9999 (7) and CA(193) at 18.088 12.914 31.825 in (null):H-9999 (26) other bump:2.59418 Ang SD(47) at 15.6766 13.7875 32.2149 in (null):M-9999 (7) and CA(193) at 18.088 12.914 31.825 in (null):H-9999 (26) other bump:1.93425 Ang SD(47) at 15.6766 13.7875 32.2149 in (null):M-9999 (7) and N(192) at 17.156 13.654 30.976 in (null):H-9999 (26) other bump:3.00992 Ang SD(47) at 15.6766 13.7875 32.2149 in (null):M-9999 (7) and C(191) at 17.233 13.568 29.648 in (null):P-9999 (25) self-bump: 1.33715 Ang N(185) at 15.092 14.878 29.552 in (null):P-9999 (25) and CD(189) at 14.6815 16.1502 29.5213 in (null):P-9999 (25) neighbor-bump: 0.755461 Ang C(184) at 15.117 16.075 30.134 in (null):A-9999 (24) and CD(189) at 14.6815 16.1502 29.5213 in (null):P-9999 (25) neighbor-bump: 1.61234 Ang CA(181) at 13.833 16.511 30.844 in (null):A-9999 (24) and CD(189) at 14.6815 16.1502 29.5213 in (null):P-9999 (25) neighbor-bump: 2.26417 Ang CB(182) at 13.216 17.743 30.186 in (null):A-9999 (24) and CD(189) at 14.6815 16.1502 29.5213 in (null):P-9999 (25) neighbor-bump: 1.68904 Ang O(183) at 16.114 16.808 30.128 in (null):A-9999 (24) and CD(189) at 14.6815 16.1502 29.5213 in (null):P-9999 (25) self-bump: 2.19925 Ang N(185) at 15.092 14.878 29.552 in (null):P-9999 (25) and CG(188) at 15.53 16.6899 28.3851 in (null):P-9999 (25) neighbor-bump: 1.89934 Ang C(184) at 15.117 16.075 30.134 in (null):A-9999 (24) and CG(188) at 15.53 16.6899 28.3851 in (null):P-9999 (25) neighbor-bump: 2.99301 Ang CA(181) at 13.833 16.511 30.844 in (null):A-9999 (24) and CG(188) at 15.53 16.6899 28.3851 in (null):P-9999 (25) neighbor-bump: 3.11557 Ang CB(182) at 13.216 17.743 30.186 in (null):A-9999 (24) and CG(188) at 15.53 16.6899 28.3851 in (null):P-9999 (25) neighbor-bump: 1.84198 Ang O(183) at 16.114 16.808 30.128 in (null):A-9999 (24) and CG(188) at 15.53 16.6899 28.3851 in (null):P-9999 (25) neighbor-bump: 2.38095 Ang C(184) at 15.117 16.075 30.134 in (null):A-9999 (24) and CB(187) at 16.7859 15.8768 28.4475 in (null):P-9999 (25) neighbor-bump: 2.03536 Ang O(183) at 16.114 16.808 30.128 in (null):A-9999 (24) and CB(187) at 16.7859 15.8768 28.4475 in (null):P-9999 (25) other bump:2.91971 Ang CG(46) at 13.923 13.6883 31.9484 in (null):M-9999 (7) and N(185) at 15.092 14.878 29.552 in (null):P-9999 (25) other bump:2.93635 Ang SD(47) at 15.6766 13.7875 32.2149 in (null):M-9999 (7) and N(185) at 15.092 14.878 29.552 in (null):P-9999 (25) other bump:3.22708 Ang CG(46) at 13.923 13.6883 31.9484 in (null):M-9999 (7) and C(184) at 15.117 16.075 30.134 in (null):A-9999 (24) other bump:3.14263 Ang SD(47) at 15.6766 13.7875 32.2149 in (null):M-9999 (7) and C(184) at 15.117 16.075 30.134 in (null):A-9999 (24) other bump:3.03241 Ang CG(46) at 13.923 13.6883 31.9484 in (null):M-9999 (7) and CA(181) at 13.833 16.511 30.844 in (null):A-9999 (24) other bump:2.94083 Ang CG(46) at 13.923 13.6883 31.9484 in (null):M-9999 (7) and C(179) at 14.891 16.243 33.037 in (null):F-9999 (23) other bump:2.70601 Ang SD(47) at 15.6766 13.7875 32.2149 in (null):M-9999 (7) and C(179) at 14.891 16.243 33.037 in (null):F-9999 (23) other bump:2.20937 Ang CG(46) at 13.923 13.6883 31.9484 in (null):M-9999 (7) and O(178) at 15.384 15.167 32.697 in (null):F-9999 (23) other bump:1.49031 Ang SD(47) at 15.6766 13.7875 32.2149 in (null):M-9999 (7) and O(178) at 15.384 15.167 32.697 in (null):F-9999 (23) other bump:3.24201 Ang CB(45) at 13.2157 13.0647 33.1319 in (null):M-9999 (7) and C(168) at 14.207 14.897 35.616 in (null):V-9999 (22) other bump:2.54691 Ang CB(45) at 13.2157 13.0647 33.1319 in (null):M-9999 (7) and O(167) at 13.205 14.895 34.903 in (null):V-9999 (22) other bump:2.21457 Ang CE(48) at 15.9269 12.2059 33.0515 in (null):M-9999 (7) and CG2(166) at 15.153 12.105 35.124 in (null):V-9999 (22) other bump:2.78101 Ang CE2(58) at 7.79966 11.0726 36.3175 in (null):F-9999 (8) and CG(158) at 8.617 13.179 37.939 in (null):P-9999 (21) other bump:2.54402 Ang CA(117) at 6.821 5.071 39.751 in (null):A-9999 (16) and OE1(151) at 9.14152 6.11365 39.7595 in (null):E-9999 (20) other bump:3.18579 Ang CA(117) at 6.821 5.071 39.751 in (null):A-9999 (16) and CD(150) at 9.55956 6.18508 40.9378 in (null):E-9999 (20) other bump:2.34311 Ang CD2(97) at 5.55659 4.02441 36.8052 in (null):L-9999 (13) and CB(118) at 6.783 5.395 38.257 in (null):A-9999 (16) neighbor-bump: 2.9668 Ang C(99) at 4.545 0.446 36.973 in (null):L-9999 (13) and CG1(103) at 2.12442 -1.10865 37.6981 in (null):I-9999 (14) neighbor-bump: 2.21574 Ang O(98) at 4.65 -0.761 37.181 in (null):L-9999 (13) and CB(102) at 3.15686 -0.827767 38.8167 in (null):I-9999 (14) neighbor-bump: 2.63604 Ang C(99) at 4.545 0.446 36.973 in (null):L-9999 (13) and CB(102) at 3.15686 -0.827767 38.8167 in (null):I-9999 (14) neighbor-bump: 2.47437 Ang CB(94) at 4.52409 2.12087 35.5663 in (null):L-9999 (13) and N(100) at 3.909 1.265 37.805 in (null):I-9999 (14) self-bump: 2.18732 Ang CB(94) at 4.52409 2.12087 35.5663 in (null):L-9999 (13) and C(99) at 4.545 0.446 36.973 in (null):L-9999 (13) self-bump: 1.24579 Ang CA(93) at 5.187 1.081 35.743 in (null):L-9999 (13) and CB(94) at 4.52409 2.12087 35.5663 in (null):L-9999 (13) other bump:2.89393 Ang NZ(40) at 4.74835 12.9292 35.556 in (null):K-9999 (6) and CZ(59) at 7.23461 11.5136 35.1206 in (null):F-9999 (8) other bump:2.58063 Ang CE(39) at 5.54885 13.3143 34.362 in (null):K-9999 (6) and CZ(59) at 7.23461 11.5136 35.1206 in (null):F-9999 (8) T0147_twice 457 :VDFPPERILNVSPRRLLNFLESRGMAPIAEFAD 1i60A 245 :VELFRPEYYKLTAEEAIQTAKKTTVDVVSKYFS Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.01173 Ang O(212) at 16.841 20.249 23.064 in (null):A-9999 (26) and OE2(240) at 16.9899 18.3334 22.4678 in (null):E-9999 (30) other bump:1.72814 Ang O(195) at 15.613 20.231 28.193 in (null):R-9999 (23) and CD(218) at 15.6866 20.0173 26.4797 in (null):P-9999 (27) other bump:2.84513 Ang C(196) at 15.659 21.007 29.147 in (null):R-9999 (23) and CD(218) at 15.6866 20.0173 26.4797 in (null):P-9999 (27) other bump:2.21791 Ang O(195) at 15.613 20.231 28.193 in (null):R-9999 (23) and CG(217) at 15.3389 18.566 26.7537 in (null):P-9999 (27) other bump:2.23565 Ang CG(155) at 18.9129 21.9362 35.8501 in (null):F-9999 (19) and NH2(194) at 17.3023 20.4489 36.2885 in (null):R-9999 (23) other bump:0.985963 Ang CD2(157) at 18.1474 20.9387 36.4226 in (null):F-9999 (19) and NH2(194) at 17.3023 20.4489 36.2885 in (null):R-9999 (23) other bump:1.38008 Ang CE2(159) at 18.3984 19.6262 36.126 in (null):F-9999 (19) and NH2(194) at 17.3023 20.4489 36.2885 in (null):R-9999 (23) other bump:2.61096 Ang CZ(160) at 19.3999 19.3114 35.2286 in (null):F-9999 (19) and NH2(194) at 17.3023 20.4489 36.2885 in (null):R-9999 (23) other bump:2.05633 Ang CG(155) at 18.9129 21.9362 35.8501 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:1.86344 Ang CD2(157) at 18.1474 20.9387 36.4226 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:1.27107 Ang CE2(159) at 18.3984 19.6262 36.126 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:0.692611 Ang CZ(160) at 19.3999 19.3114 35.2286 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:1.76821 Ang CD1(156) at 19.9045 21.6102 34.9414 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:1.12978 Ang CE1(158) at 20.1659 20.2626 34.6363 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:2.22009 Ang CG(155) at 18.9129 21.9362 35.8501 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:1.49322 Ang CD2(157) at 18.1474 20.9387 36.4226 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:0.976293 Ang CE2(159) at 18.3984 19.6262 36.126 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:1.51499 Ang CZ(160) at 19.3999 19.3114 35.2286 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:2.50524 Ang CD1(156) at 19.9045 21.6102 34.9414 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:2.24311 Ang CE1(158) at 20.1659 20.2626 34.6363 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:2.74392 Ang CD2(157) at 18.1474 20.9387 36.4226 in (null):F-9999 (19) and NE(191) at 17.4335 19.4785 34.2119 in (null):R-9999 (23) other bump:2.14861 Ang CE2(159) at 18.3984 19.6262 36.126 in (null):F-9999 (19) and NE(191) at 17.4335 19.4785 34.2119 in (null):R-9999 (23) other bump:2.21996 Ang CZ(160) at 19.3999 19.3114 35.2286 in (null):F-9999 (19) and NE(191) at 17.4335 19.4785 34.2119 in (null):R-9999 (23) other bump:3.17215 Ang CE2(159) at 18.3984 19.6262 36.126 in (null):F-9999 (19) and CD(190) at 18.1083 18.9342 33.0439 in (null):R-9999 (23) other bump:2.56581 Ang CZ(160) at 19.3999 19.3114 35.2286 in (null):F-9999 (19) and CD(190) at 18.1083 18.9342 33.0439 in (null):R-9999 (23) other bump:2.503 Ang CD2(22) at 11.7706 19.7015 36.8387 in (null):F-9999 (3) and CD2(168) at 12.9793 21.8423 36.3687 in (null):L-9999 (20) other bump:2.51761 Ang CE2(24) at 12.4639 19.485 35.6505 in (null):F-9999 (3) and CD2(168) at 12.9793 21.8423 36.3687 in (null):L-9999 (20) other bump:2.31388 Ang CG2(66) at 15.1483 20.588 41.2628 in (null):I-9999 (8) and CD1(132) at 14.788 22.5547 40.0982 in (null):L-9999 (16) other bump:2.78161 Ang CG2(90) at 19.2626 24.4983 42.2525 in (null):V-9999 (11) and CB(119) at 20.552 26.4908 40.8017 in (null):R-9999 (15) other bump:2.01849 Ang O(68) at 16.398 21.685 43.922 in (null):I-9999 (8) and CG1(89) at 17.233 23.4219 43.3216 in (null):V-9999 (11) neighbor-bump: 1.89251 Ang CA(18) at 9.399 18.293 38.894 in (null):F-9999 (3) and CD(32) at 8.29657 17.1927 39.969 in (null):P-9999 (4) neighbor-bump: 1.27521 Ang C(27) at 8.972 18.2 40.363 in (null):F-9999 (3) and CD(32) at 8.29657 17.1927 39.969 in (null):P-9999 (4) self-bump: 1.32379 Ang N(28) at 9.159 17.024 40.959 in (null):P-9999 (4) and CD(32) at 8.29657 17.1927 39.969 in (null):P-9999 (4) neighbor-bump: 2.20018 Ang O(26) at 8.473 19.164 40.93 in (null):F-9999 (3) and CD(32) at 8.29657 17.1927 39.969 in (null):P-9999 (4) neighbor-bump: 2.41442 Ang C(27) at 8.972 18.2 40.363 in (null):F-9999 (3) and CG(31) at 7.01246 16.828 40.6903 in (null):P-9999 (4) self-bump: 2.17216 Ang N(28) at 9.159 17.024 40.959 in (null):P-9999 (4) and CG(31) at 7.01246 16.828 40.6903 in (null):P-9999 (4) Number of specific fragments= 10 total=65 Number of alignments=5 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1i60A/T0147_twice-1i60A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1i60A read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1i60A/T0147_twice-1i60A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1i60A in template set T0147_twice 1 :MYPV 1i60A 1 :MKLC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 11 :VAST 1i60A 7 :EATT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 15 :H 1i60A 12 :E Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 17 :YSTLSDYIAQAKQKGIKLFAI 1i60A 13 :NSNLKLDLELCEKHGYDYIEI Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.58444 Ang CB(85) at 9.674 32.528 36.2 in (null):A-9999 (11) and CZ(152) at 8.10807 32.4694 36.4342 in (null):F-9999 (19) other bump:3.05182 Ang CA(84) at 11.047 33.185 36.029 in (null):A-9999 (11) and CZ(152) at 8.10807 32.4694 36.4342 in (null):F-9999 (19) other bump:2.64388 Ang CB(85) at 9.674 32.528 36.2 in (null):A-9999 (11) and CE2(151) at 7.17032 33.2794 35.8036 in (null):F-9999 (19) other bump:2.46193 Ang CB(85) at 9.674 32.528 36.2 in (null):A-9999 (11) and CE1(150) at 7.73826 31.316 37.1192 in (null):F-9999 (19) other bump:2.49068 Ang CG2(123) at 7.88913 31.2266 32.5936 in (null):I-9999 (16) and O(142) at 5.627 30.489 33.33 in (null):L-9999 (18) other bump:2.48971 Ang CB(85) at 9.674 32.528 36.2 in (null):A-9999 (11) and CD1(124) at 10.2145 30.7257 34.5696 in (null):I-9999 (16) other bump:2.97845 Ang CA(84) at 11.047 33.185 36.029 in (null):A-9999 (11) and CD1(124) at 10.2145 30.7257 34.5696 in (null):I-9999 (16) other bump:2.8409 Ang CB(16) at 11.331 28.946 45.301 in (null):S-9999 (2) and CZ(57) at 9.84538 27.5116 43.3501 in (null):Y-9999 (7) other bump:3.18503 Ang C(19) at 9.807 29.267 47.269 in (null):S-9999 (2) and CE1(55) at 9.68272 28.6427 44.1482 in (null):Y-9999 (7) other bump:2.03414 Ang CB(16) at 11.331 28.946 45.301 in (null):S-9999 (2) and CE1(55) at 9.68272 28.6427 44.1482 in (null):Y-9999 (7) other bump:3.10967 Ang CA(15) at 11.228 28.934 46.831 in (null):S-9999 (2) and CE1(55) at 9.68272 28.6427 44.1482 in (null):Y-9999 (7) other bump:2.23517 Ang OG(17) at 11.094 30.254 44.787 in (null):S-9999 (2) and CE1(55) at 9.68272 28.6427 44.1482 in (null):Y-9999 (7) other bump:2.55661 Ang O(25) at 8.216 31.8 44.893 in (null):T-9999 (3) and CD1(53) at 9.18583 29.8402 43.5683 in (null):Y-9999 (7) other bump:2.89893 Ang CB(16) at 11.331 28.946 45.301 in (null):S-9999 (2) and CD1(53) at 9.18583 29.8402 43.5683 in (null):Y-9999 (7) other bump:2.30166 Ang OG(17) at 11.094 30.254 44.787 in (null):S-9999 (2) and CD1(53) at 9.18583 29.8402 43.5683 in (null):Y-9999 (7) T0147_twice 41 :GPDMEDAPHHW 1i60A 34 :RTMDKLPEYLK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.60782 Ang O(44) at -1.231 32.914 48.209 in (null):D-9999 (6) and CD2(72) at -2.60076 34.8498 47.124 in (null):H-9999 (10) self-bump: 1.33915 Ang N(6) at -2.457 26.437 44.086 in (null):P-9999 (2) and CD(10) at -2.68841 26.0856 42.8146 in (null):P-9999 (2) neighbor-bump: 2.43561 Ang CA(3) at -0.272 26.302 43.03 in (null):G-9999 (1) and CD(10) at -2.68841 26.0856 42.8146 in (null):P-9999 (2) neighbor-bump: 2.07648 Ang C(5) at -1.236 26.961 44.013 in (null):G-9999 (1) and CD(10) at -2.68841 26.0856 42.8146 in (null):P-9999 (2) self-bump: 2.20096 Ang N(6) at -2.457 26.437 44.086 in (null):P-9999 (2) and CG(9) at -4.10065 26.5977 42.6311 in (null):P-9999 (2) T0147_twice 80 :DGEIDCSGKMFDSLDLIIAGFHEPVFAPHDK 1i60A 45 :DHSLDDLAEYFQTHHIKPLALNALVFFNNRD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.5853 Ang CG(234) at -20.7444 12.0073 50.3866 in (null):K-9999 (31) and N(240) at -21.835 13.173 48.353 in (null):G-9999 (32) neighbor-bump: 2.59448 Ang N(201) at -11.758 15.527 41.837 in (null):A-9999 (27) and CD(210) at -12.5071 13.7412 40.1105 in (null):P-9999 (28) self-bump: 2.06134 Ang N(176) at -7.629 21.238 40.966 in (null):P-9999 (24) and C(182) at -8.633 19.71 41.918 in (null):P-9999 (24) self-bump: 1.37379 Ang CA(177) at -8.89 21.205 41.674 in (null):P-9999 (24) and CB(178) at -9.92506 21.6551 40.8909 in (null):P-9999 (24) other bump:2.89018 Ang CE1(78) at 1.974 36.211 36.861 in (null):F-9999 (11) and CD1(134) at 0.649043 33.7463 37.584 in (null):I-9999 (18) other bump:2.87015 Ang CE2(79) at -0.051 36.472 38.148 in (null):F-9999 (11) and CD1(134) at 0.649043 33.7463 37.584 in (null):I-9999 (18) other bump:2.07816 Ang CZ(80) at 1.112 35.754 37.855 in (null):F-9999 (11) and CD1(134) at 0.649043 33.7463 37.584 in (null):I-9999 (18) other bump:2.46814 Ang CE2(79) at -0.051 36.472 38.148 in (null):F-9999 (11) and CG1(132) at -0.614344 34.3959 36.9379 in (null):I-9999 (18) other bump:2.38026 Ang CZ(80) at 1.112 35.754 37.855 in (null):F-9999 (11) and CG1(132) at -0.614344 34.3959 36.9379 in (null):I-9999 (18) T0147_twice 111 :ATNTQAMIATIASGNVHIISHPGNPK 1i60A 83 :ITEFKGMMETCKTLGVKYVVAVPLVT Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.97199 Ang CG(165) at -11.0618 9.54617 44.2604 in (null):N-9999 (24) and CE(182) at -11.6758 9.12525 47.1376 in (null):K-9999 (26) other bump:2.26849 Ang OD1(167) at -10.7754 10.1286 45.3132 in (null):N-9999 (24) and CE(182) at -11.6758 9.12525 47.1376 in (null):K-9999 (26) other bump:2.77417 Ang CG(165) at -11.0618 9.54617 44.2604 in (null):N-9999 (24) and CG(180) at -10.567 7.31518 45.8332 in (null):K-9999 (26) other bump:2.03502 Ang ND2(166) at -11.3753 8.25844 44.2214 in (null):N-9999 (24) and CG(180) at -10.567 7.31518 45.8332 in (null):K-9999 (26) other bump:2.54803 Ang CD1(76) at -9.83367 29.5987 37.004 in (null):I-9999 (11) and CG2(131) at -9.01367 27.219 36.6079 in (null):I-9999 (19) other bump:2.53379 Ang CG2(75) at -9.41635 32.2504 35.3526 in (null):I-9999 (11) and O(107) at -7.778 32.282 33.42 in (null):V-9999 (16) T0147_twice 137 :YEIDVKAVAE 1i60A 110 :QKIVKEEIKK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.7634 Ang CD2(7) at -14.5667 2.47419 45.2584 in (null):Y-9999 (1) and CG1(26) at -14.525 3.32 42.628 in (null):I-9999 (3) other bump:2.88679 Ang CE2(9) at -15.7669 1.91749 44.8244 in (null):Y-9999 (1) and CG1(26) at -14.525 3.32 42.628 in (null):I-9999 (3) neighbor-bump: 2.8859 Ang CE2(9) at -15.7669 1.91749 44.8244 in (null):Y-9999 (1) and O(21) at -14.466 -0.19 43.343 in (null):E-9999 (2) T0147_twice 168 :GSEDNCREVAAAVRDAGGWVALGSDSHTAFTMGEFEECLKILDAV 1i60A 120 :SSVDVLTELSDIAEPYGVKIALEFVGHPQCTVNTFEQAYEIVNTV Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.41799 Ang OE2(18) at -19.8553 13.1354 28.1341 in (null):E-9999 (3) and C(323) at -18.175 13.668 26.479 in (null):A-9999 (44) other bump:2.10623 Ang OE2(18) at -19.8553 13.1354 28.1341 in (null):E-9999 (3) and O(322) at -19.357 13.955 26.259 in (null):A-9999 (44) other bump:3.14676 Ang CD(16) at -19.5798 12.4386 29.1415 in (null):E-9999 (3) and CB(321) at -17.757 11.217 26.886 in (null):A-9999 (44) other bump:2.78518 Ang OE1(17) at -19.4905 11.1959 29.0658 in (null):E-9999 (3) and CB(321) at -17.757 11.217 26.886 in (null):A-9999 (44) other bump:2.55861 Ang SD(226) at -9.92638 9.97451 32.7985 in (null):M-9999 (32) and CD1(300) at -12.475 9.858 32.605 in (null):I-9999 (41) other bump:1.48392 Ang CE(227) at -11.4511 9.58523 33.6439 in (null):M-9999 (32) and CD1(300) at -12.475 9.858 32.605 in (null):I-9999 (41) other bump:3.07083 Ang CG(225) at -8.74682 8.86514 33.5707 in (null):M-9999 (32) and SG(275) at -6.60805 10.371 31.9619 in (null):C-9999 (38) other bump:3.44504 Ang SD(226) at -9.92638 9.97451 32.7985 in (null):M-9999 (32) and SG(275) at -6.60805 10.371 31.9619 in (null):C-9999 (38) other bump:2.23862 Ang CB(164) at -4.8692 11.0801 33.1805 in (null):S-9999 (24) and SG(275) at -6.60805 10.371 31.9619 in (null):C-9999 (38) other bump:2.7602 Ang OG(165) at -4.02131 11.3276 32.0731 in (null):S-9999 (24) and SG(275) at -6.60805 10.371 31.9619 in (null):C-9999 (38) other bump:2.92019 Ang SD(226) at -9.92638 9.97451 32.7985 in (null):M-9999 (32) and CA(273) at -8.773 10.383 30.147 in (null):C-9999 (38) other bump:3.11395 Ang CB(184) at -0.652 7.253 40.628 in (null):H-9999 (27) and CE2(211) at -1.89606 9.80137 41.9144 in (null):F-9999 (30) other bump:2.93179 Ang CG(171) at -1.27226 10.9742 39.3008 in (null):D-9999 (25) and CE2(211) at -1.89606 9.80137 41.9144 in (null):F-9999 (30) other bump:2.69167 Ang OD2(173) at -1.17776 11.7875 40.2458 in (null):D-9999 (25) and CE2(211) at -1.89606 9.80137 41.9144 in (null):F-9999 (30) other bump:2.70775 Ang CB(184) at -0.652 7.253 40.628 in (null):H-9999 (27) and CD2(209) at -2.61685 9.07948 40.9957 in (null):F-9999 (30) other bump:2.87588 Ang CG(171) at -1.27226 10.9742 39.3008 in (null):D-9999 (25) and CD2(209) at -2.61685 9.07948 40.9957 in (null):F-9999 (30) other bump:2.8292 Ang CG1(88) at -14.581 27.531 32.4573 in (null):V-9999 (13) and C(123) at -12.098 28.271 31.321 in (null):G-9999 (18) other bump:1.86988 Ang CG1(88) at -14.581 27.531 32.4573 in (null):V-9999 (13) and O(122) at -13.208 27.738 31.205 in (null):G-9999 (18) T0147_twice 245 :LMYPVDLHMHTVASTHAYSTLSDYIAQAKQKG 1i60A 165 :NRDNVGLVLDSFHFHAMGSNIESLKQADGKKI Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.1306 Ang CG(47) at -7.71721 20.272 25.7969 in (null):D-9999 (6) and N(252) at -4.66 20.846 26.15 in (null):G-9999 (33) other bump:1.55834 Ang OD1(48) at -7.59848 19.0686 25.4293 in (null):D-9999 (6) and C(247) at -6.875 18.735 24.09 in (null):K-9999 (31) other bump:2.72217 Ang OD2(49) at -7.27293 21.2234 25.1194 in (null):D-9999 (6) and C(247) at -6.875 18.735 24.09 in (null):K-9999 (31) other bump:2.44647 Ang CG(47) at -7.71721 20.272 25.7969 in (null):D-9999 (6) and C(247) at -6.875 18.735 24.09 in (null):K-9999 (31) other bump:0.818659 Ang OD1(48) at -7.59848 19.0686 25.4293 in (null):D-9999 (6) and O(246) at -7.126 18.424 25.252 in (null):K-9999 (31) other bump:2.01534 Ang CG(47) at -7.71721 20.272 25.7969 in (null):D-9999 (6) and O(246) at -7.126 18.424 25.252 in (null):K-9999 (31) other bump:2.42416 Ang OD1(48) at -7.59848 19.0686 25.4293 in (null):D-9999 (6) and CA(240) at -7.988 18.816 23.05 in (null):K-9999 (31) other bump:3.1207 Ang CG(47) at -7.71721 20.272 25.7969 in (null):D-9999 (6) and CA(240) at -7.988 18.816 23.05 in (null):K-9999 (31) other bump:2.54389 Ang O(180) at -4.154 8.861 20.811 in (null):D-9999 (23) and CG(210) at -4.88199 11.2077 21.4702 in (null):Q-9999 (27) other bump:3.3294 Ang SD(74) at 0.480393 13.8043 25.3961 in (null):M-9999 (9) and OH(191) at 1.29026 15.7166 22.7938 in (null):Y-9999 (24) other bump:2.4142 Ang CE(75) at 1.92983 14.7719 24.9214 in (null):M-9999 (9) and OH(191) at 1.29026 15.7166 22.7938 in (null):Y-9999 (24) other bump:2.92325 Ang SD(74) at 0.480393 13.8043 25.3961 in (null):M-9999 (9) and CZ(190) at 0.924689 14.4024 22.5694 in (null):Y-9999 (24) other bump:2.58435 Ang CE(75) at 1.92983 14.7719 24.9214 in (null):M-9999 (9) and CZ(190) at 0.924689 14.4024 22.5694 in (null):Y-9999 (24) other bump:2.38496 Ang SD(74) at 0.480393 13.8043 25.3961 in (null):M-9999 (9) and CE1(188) at -0.254146 13.9422 23.1313 in (null):Y-9999 (24) other bump:2.94324 Ang CE(75) at 1.92983 14.7719 24.9214 in (null):M-9999 (9) and CE1(188) at -0.254146 13.9422 23.1313 in (null):Y-9999 (24) other bump:2.93979 Ang SD(74) at 0.480393 13.8043 25.3961 in (null):M-9999 (9) and CD1(186) at -0.662416 12.643 22.9491 in (null):Y-9999 (24) other bump:2.78689 Ang CB(97) at 6.2225 11.997 34.6042 in (null):V-9999 (12) and NE2(127) at 6.52671 9.62473 36.0347 in (null):H-9999 (16) other bump:1.41674 Ang CG1(98) at 6.25165 10.981 35.7312 in (null):V-9999 (12) and NE2(127) at 6.52671 9.62473 36.0347 in (null):H-9999 (16) other bump:2.45657 Ang CG1(98) at 6.25165 10.981 35.7312 in (null):V-9999 (12) and CE1(126) at 6.3938 9.01083 37.1917 in (null):H-9999 (16) other bump:3.28567 Ang CG1(98) at 6.25165 10.981 35.7312 in (null):V-9999 (12) and ND1(125) at 5.3986 8.11449 37.0918 in (null):H-9999 (16) other bump:2.90376 Ang CA(96) at 5.809 11.34 33.3 in (null):V-9999 (12) and CD2(124) at 5.60231 9.10399 35.141 in (null):H-9999 (16) other bump:3.00706 Ang CB(97) at 6.2225 11.997 34.6042 in (null):V-9999 (12) and CD2(124) at 5.60231 9.10399 35.141 in (null):H-9999 (16) other bump:2.07197 Ang CG1(98) at 6.25165 10.981 35.7312 in (null):V-9999 (12) and CD2(124) at 5.60231 9.10399 35.141 in (null):H-9999 (16) other bump:1.84701 Ang O(100) at 4.611 9.284 33.593 in (null):V-9999 (12) and CD2(124) at 5.60231 9.10399 35.141 in (null):H-9999 (16) other bump:2.38807 Ang C(101) at 4.547 10.508 33.523 in (null):V-9999 (12) and CD2(124) at 5.60231 9.10399 35.141 in (null):H-9999 (16) other bump:3.11957 Ang CG1(98) at 6.25165 10.981 35.7312 in (null):V-9999 (12) and CG(123) at 4.89169 8.175 35.8246 in (null):H-9999 (16) other bump:2.50774 Ang O(100) at 4.611 9.284 33.593 in (null):V-9999 (12) and CG(123) at 4.89169 8.175 35.8246 in (null):H-9999 (16) neighbor-bump: 2.30172 Ang N(18) at -15.79 22.693 24.398 in (null):Y-9999 (3) and CD(34) at -15.3773 24.5051 25.7559 in (null):P-9999 (4) neighbor-bump: 2.24205 Ang CA(19) at -14.581 23.392 23.98 in (null):Y-9999 (3) and CD(34) at -15.3773 24.5051 25.7559 in (null):P-9999 (4) neighbor-bump: 2.61799 Ang CB(20) at -14.9851 24.6533 23.1717 in (null):Y-9999 (3) and CD(34) at -15.3773 24.5051 25.7559 in (null):P-9999 (4) neighbor-bump: 1.86388 Ang C(29) at -13.735 23.851 25.165 in (null):Y-9999 (3) and CD(34) at -15.3773 24.5051 25.7559 in (null):P-9999 (4) self-bump: 1.27285 Ang N(30) at -14.355 24.012 26.332 in (null):P-9999 (4) and CD(34) at -15.3773 24.5051 25.7559 in (null):P-9999 (4) self-bump: 2.13012 Ang N(30) at -14.355 24.012 26.332 in (null):P-9999 (4) and CG(33) at -15.609 25.7027 26.6583 in (null):P-9999 (4) T0147_twice 298 :FIN 1i60A 197 :FIY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 325 :DG 1i60A 200 :HI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0147_twice 333 :KMFDSLDLIIAGFHEPVFAPHDKATNTQAMIATIASGNVHIIS 1i60A 202 :DDTEDFPIGFLTDEDRVWPGQGAIDLDAHLSALKEIGFSDVVS Fragment has 84 clashes (null) has 84 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues self-bump: 1.38694 Ang CA(295) at 1.015 26.278 22.344 in (null):H-9999 (40) and CB(296) at -0.161628 26.9274 22.6866 in (null):H-9999 (40) neighbor-bump: 2.64491 Ang C(286) at 1.005 21.627 19.397 in (null):N-9999 (38) and CG2(291) at 2.44196 22.6482 17.4252 in (null):V-9999 (39) neighbor-bump: 2.18588 Ang O(285) at 2.014 21.105 18.913 in (null):N-9999 (38) and CG2(291) at 2.44196 22.6482 17.4252 in (null):V-9999 (39) other bump:2.43642 Ang CG2(252) at 2.38956 18.3365 21.208 in (null):T-9999 (33) and ND2(283) at 0.906577 19.4038 22.8198 in (null):N-9999 (38) other bump:2.79222 Ang CG2(252) at 2.38956 18.3365 21.208 in (null):T-9999 (33) and CG(282) at 0.501483 20.2756 21.8949 in (null):N-9999 (38) other bump:2.76151 Ang CG2(252) at 2.38956 18.3365 21.208 in (null):T-9999 (33) and CB(281) at 0.0753417 19.6839 20.5335 in (null):N-9999 (38) other bump:2.75834 Ang CG2(195) at 11.0404 7.42935 22.8377 in (null):T-9999 (25) and NE2(220) at 9.09497 5.62898 22.0744 in (null):Q-9999 (28) other bump:2.576 Ang CB(40) at 14.0264 3.53264 33.4622 in (null):S-9999 (5) and CE(183) at 16.5723 3.42474 33.0847 in (null):K-9999 (23) other bump:2.46062 Ang OG(41) at 13.0231 2.90681 32.6536 in (null):S-9999 (5) and CD(182) at 15.2898 3.82151 32.3705 in (null):K-9999 (23) other bump:1.69456 Ang CB(40) at 14.0264 3.53264 33.4622 in (null):S-9999 (5) and CD(182) at 15.2898 3.82151 32.3705 in (null):K-9999 (23) other bump:3.00949 Ang CA(39) at 13.64 3.773 34.887 in (null):S-9999 (5) and CD(182) at 15.2898 3.82151 32.3705 in (null):K-9999 (23) other bump:2.78684 Ang CB(40) at 14.0264 3.53264 33.4622 in (null):S-9999 (5) and CG(181) at 15.4344 5.18718 31.7168 in (null):K-9999 (23) other bump:3.15776 Ang CB(40) at 14.0264 3.53264 33.4622 in (null):S-9999 (5) and CB(180) at 14.0725 5.66511 31.1337 in (null):K-9999 (23) other bump:1.89702 Ang C(18) at 11.552 11.787 33.995 in (null):M-9999 (2) and OD2(175) at 13.2158 12.4884 33.4133 in (null):D-9999 (22) other bump:2.26942 Ang N(19) at 12.103 10.579 33.929 in (null):F-9999 (3) and OD2(175) at 13.2158 12.4884 33.4133 in (null):D-9999 (22) other bump:1.77857 Ang CA(12) at 11.576 12.651 32.744 in (null):M-9999 (2) and OD2(175) at 13.2158 12.4884 33.4133 in (null):D-9999 (22) other bump:2.61274 Ang CG2(134) at 15.153 12.105 35.124 in (null):V-9999 (17) and OD2(175) at 13.2158 12.4884 33.4133 in (null):D-9999 (22) other bump:0.641322 Ang CB(13) at 13.2157 13.0647 33.1319 in (null):M-9999 (2) and OD2(175) at 13.2158 12.4884 33.4133 in (null):D-9999 (22) other bump:2.02128 Ang CG(14) at 13.923 13.6883 31.9484 in (null):M-9999 (2) and OD2(175) at 13.2158 12.4884 33.4133 in (null):D-9999 (22) other bump:3.02971 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and OD2(175) at 13.2158 12.4884 33.4133 in (null):D-9999 (22) other bump:1.80406 Ang CE(16) at 15.9269 12.2059 33.0515 in (null):M-9999 (2) and OD1(174) at 14.9421 11.6176 34.4439 in (null):D-9999 (22) other bump:3.22556 Ang CG1(133) at 15.672 11.89 37.574 in (null):V-9999 (17) and OD1(174) at 14.9421 11.6176 34.4439 in (null):D-9999 (22) other bump:0.862839 Ang CG2(134) at 15.153 12.105 35.124 in (null):V-9999 (17) and OD1(174) at 14.9421 11.6176 34.4439 in (null):D-9999 (22) other bump:2.60695 Ang CB(13) at 13.2157 13.0647 33.1319 in (null):M-9999 (2) and OD1(174) at 14.9421 11.6176 34.4439 in (null):D-9999 (22) other bump:3.19628 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and OD1(174) at 14.9421 11.6176 34.4439 in (null):D-9999 (22) other bump:2.37715 Ang CB(132) at 15.478 12.856 36.401 in (null):V-9999 (17) and OD1(174) at 14.9421 11.6176 34.4439 in (null):D-9999 (22) other bump:2.59874 Ang C(18) at 11.552 11.787 33.995 in (null):M-9999 (2) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:2.287 Ang N(19) at 12.103 10.579 33.929 in (null):F-9999 (3) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:3.19553 Ang CA(20) at 12.082 9.727 35.123 in (null):F-9999 (3) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:2.83701 Ang CA(12) at 11.576 12.651 32.744 in (null):M-9999 (2) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:1.97565 Ang CE(16) at 15.9269 12.2059 33.0515 in (null):M-9999 (2) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:1.98213 Ang CG2(134) at 15.153 12.105 35.124 in (null):V-9999 (17) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:1.74287 Ang CB(13) at 13.2157 13.0647 33.1319 in (null):M-9999 (2) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:2.60735 Ang CG(14) at 13.923 13.6883 31.9484 in (null):M-9999 (2) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:2.98436 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:2.51159 Ang N(19) at 12.103 10.579 33.929 in (null):F-9999 (3) and CB(172) at 14.1511 10.5017 32.4773 in (null):D-9999 (22) other bump:2.52735 Ang CE(16) at 15.9269 12.2059 33.0515 in (null):M-9999 (2) and CB(172) at 14.1511 10.5017 32.4773 in (null):D-9999 (22) other bump:2.80584 Ang CB(13) at 13.2157 13.0647 33.1319 in (null):M-9999 (2) and CB(172) at 14.1511 10.5017 32.4773 in (null):D-9999 (22) other bump:2.41191 Ang CE(16) at 15.9269 12.2059 33.0515 in (null):M-9999 (2) and CA(171) at 15.727 9.954 32.211 in (null):D-9999 (22) other bump:1.66526 Ang CE(16) at 15.9269 12.2059 33.0515 in (null):M-9999 (2) and N(170) at 16.364 11.198 31.8 in (null):D-9999 (22) other bump:2.71111 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and N(170) at 16.364 11.198 31.8 in (null):D-9999 (22) other bump:1.87029 Ang CE(16) at 15.9269 12.2059 33.0515 in (null):M-9999 (2) and C(169) at 17.53 11.579 32.32 in (null):H-9999 (21) other bump:2.88504 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and C(169) at 17.53 11.579 32.32 in (null):H-9999 (21) other bump:2.64331 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and CB(162) at 18.1811 14.1442 32.9813 in (null):H-9999 (21) other bump:2.58382 Ang CE(16) at 15.9269 12.2059 33.0515 in (null):M-9999 (2) and CA(161) at 18.088 12.914 31.825 in (null):H-9999 (21) other bump:2.59418 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and CA(161) at 18.088 12.914 31.825 in (null):H-9999 (21) other bump:1.93425 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and N(160) at 17.156 13.654 30.976 in (null):H-9999 (21) other bump:3.00991 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and C(159) at 17.233 13.568 29.648 in (null):P-9999 (20) self-bump: 1.33715 Ang N(153) at 15.092 14.878 29.552 in (null):P-9999 (20) and CD(157) at 14.6815 16.1502 29.5213 in (null):P-9999 (20) neighbor-bump: 0.755461 Ang C(152) at 15.117 16.075 30.134 in (null):A-9999 (19) and CD(157) at 14.6815 16.1502 29.5213 in (null):P-9999 (20) neighbor-bump: 1.61234 Ang CA(149) at 13.833 16.511 30.844 in (null):A-9999 (19) and CD(157) at 14.6815 16.1502 29.5213 in (null):P-9999 (20) neighbor-bump: 2.26417 Ang CB(150) at 13.216 17.743 30.186 in (null):A-9999 (19) and CD(157) at 14.6815 16.1502 29.5213 in (null):P-9999 (20) neighbor-bump: 1.68904 Ang O(151) at 16.114 16.808 30.128 in (null):A-9999 (19) and CD(157) at 14.6815 16.1502 29.5213 in (null):P-9999 (20) self-bump: 2.19925 Ang N(153) at 15.092 14.878 29.552 in (null):P-9999 (20) and CG(156) at 15.53 16.6899 28.3851 in (null):P-9999 (20) neighbor-bump: 1.89934 Ang C(152) at 15.117 16.075 30.134 in (null):A-9999 (19) and CG(156) at 15.53 16.6899 28.3851 in (null):P-9999 (20) neighbor-bump: 2.99301 Ang CA(149) at 13.833 16.511 30.844 in (null):A-9999 (19) and CG(156) at 15.53 16.6899 28.3851 in (null):P-9999 (20) neighbor-bump: 3.11557 Ang CB(150) at 13.216 17.743 30.186 in (null):A-9999 (19) and CG(156) at 15.53 16.6899 28.3851 in (null):P-9999 (20) neighbor-bump: 1.84198 Ang O(151) at 16.114 16.808 30.128 in (null):A-9999 (19) and CG(156) at 15.53 16.6899 28.3851 in (null):P-9999 (20) neighbor-bump: 2.38095 Ang C(152) at 15.117 16.075 30.134 in (null):A-9999 (19) and CB(155) at 16.7859 15.8768 28.4475 in (null):P-9999 (20) neighbor-bump: 2.03536 Ang O(151) at 16.114 16.808 30.128 in (null):A-9999 (19) and CB(155) at 16.7859 15.8768 28.4475 in (null):P-9999 (20) other bump:2.9197 Ang CG(14) at 13.923 13.6883 31.9484 in (null):M-9999 (2) and N(153) at 15.092 14.878 29.552 in (null):P-9999 (20) other bump:2.93636 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and N(153) at 15.092 14.878 29.552 in (null):P-9999 (20) other bump:3.22707 Ang CG(14) at 13.923 13.6883 31.9484 in (null):M-9999 (2) and C(152) at 15.117 16.075 30.134 in (null):A-9999 (19) other bump:3.14263 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and C(152) at 15.117 16.075 30.134 in (null):A-9999 (19) other bump:3.03241 Ang CG(14) at 13.923 13.6883 31.9484 in (null):M-9999 (2) and CA(149) at 13.833 16.511 30.844 in (null):A-9999 (19) other bump:2.94083 Ang CG(14) at 13.923 13.6883 31.9484 in (null):M-9999 (2) and C(147) at 14.891 16.243 33.037 in (null):F-9999 (18) other bump:2.70602 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and C(147) at 14.891 16.243 33.037 in (null):F-9999 (18) other bump:2.20937 Ang CG(14) at 13.923 13.6883 31.9484 in (null):M-9999 (2) and O(146) at 15.384 15.167 32.697 in (null):F-9999 (18) other bump:1.49032 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and O(146) at 15.384 15.167 32.697 in (null):F-9999 (18) other bump:3.24202 Ang CB(13) at 13.2157 13.0647 33.1319 in (null):M-9999 (2) and C(136) at 14.207 14.897 35.616 in (null):V-9999 (17) other bump:2.54691 Ang CB(13) at 13.2157 13.0647 33.1319 in (null):M-9999 (2) and O(135) at 13.205 14.895 34.903 in (null):V-9999 (17) other bump:2.21458 Ang CE(16) at 15.9269 12.2059 33.0515 in (null):M-9999 (2) and CG2(134) at 15.153 12.105 35.124 in (null):V-9999 (17) other bump:2.78101 Ang CE2(26) at 7.79965 11.0726 36.3175 in (null):F-9999 (3) and CG(126) at 8.617 13.179 37.939 in (null):P-9999 (16) other bump:2.54402 Ang CA(85) at 6.821 5.071 39.751 in (null):A-9999 (11) and OE1(119) at 9.14152 6.11365 39.7595 in (null):E-9999 (15) other bump:3.18579 Ang CA(85) at 6.821 5.071 39.751 in (null):A-9999 (11) and CD(118) at 9.55956 6.18508 40.9378 in (null):E-9999 (15) other bump:2.34311 Ang CD2(65) at 5.55659 4.02441 36.8052 in (null):L-9999 (8) and CB(86) at 6.783 5.395 38.257 in (null):A-9999 (11) neighbor-bump: 2.9668 Ang C(67) at 4.545 0.446 36.973 in (null):L-9999 (8) and CG1(71) at 2.12442 -1.10865 37.6981 in (null):I-9999 (9) neighbor-bump: 2.21574 Ang O(66) at 4.65 -0.761 37.181 in (null):L-9999 (8) and CB(70) at 3.15686 -0.827767 38.8167 in (null):I-9999 (9) neighbor-bump: 2.63604 Ang C(67) at 4.545 0.446 36.973 in (null):L-9999 (8) and CB(70) at 3.15686 -0.827767 38.8167 in (null):I-9999 (9) neighbor-bump: 2.47437 Ang CB(62) at 4.52409 2.12087 35.5663 in (null):L-9999 (8) and N(68) at 3.909 1.265 37.805 in (null):I-9999 (9) self-bump: 2.18732 Ang CB(62) at 4.52409 2.12087 35.5663 in (null):L-9999 (8) and C(67) at 4.545 0.446 36.973 in (null):L-9999 (8) self-bump: 1.24579 Ang CA(61) at 5.187 1.081 35.743 in (null):L-9999 (8) and CB(62) at 4.52409 2.12087 35.5663 in (null):L-9999 (8) other bump:2.89393 Ang NZ(8) at 4.74835 12.9292 35.556 in (null):K-9999 (1) and CZ(27) at 7.23461 11.5136 35.1206 in (null):F-9999 (3) other bump:2.58063 Ang CE(7) at 5.54885 13.3143 34.362 in (null):K-9999 (1) and CZ(27) at 7.23461 11.5136 35.1206 in (null):F-9999 (3) T0147_twice 457 :VDFPPERILNVSPRRLLNFLESRGMAPIAEFAD 1i60A 245 :VELFRPEYYKLTAEEAIQTAKKTTVDVVSKYFS Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.01173 Ang O(212) at 16.841 20.249 23.064 in (null):A-9999 (26) and OE2(240) at 16.9899 18.3334 22.4678 in (null):E-9999 (30) other bump:1.72814 Ang O(195) at 15.613 20.231 28.193 in (null):R-9999 (23) and CD(218) at 15.6866 20.0173 26.4797 in (null):P-9999 (27) other bump:2.84513 Ang C(196) at 15.659 21.007 29.147 in (null):R-9999 (23) and CD(218) at 15.6866 20.0173 26.4797 in (null):P-9999 (27) other bump:2.21791 Ang O(195) at 15.613 20.231 28.193 in (null):R-9999 (23) and CG(217) at 15.3389 18.566 26.7537 in (null):P-9999 (27) other bump:2.23565 Ang CG(155) at 18.9129 21.9362 35.8501 in (null):F-9999 (19) and NH2(194) at 17.3023 20.4489 36.2885 in (null):R-9999 (23) other bump:0.985963 Ang CD2(157) at 18.1474 20.9387 36.4226 in (null):F-9999 (19) and NH2(194) at 17.3023 20.4489 36.2885 in (null):R-9999 (23) other bump:1.38008 Ang CE2(159) at 18.3984 19.6262 36.126 in (null):F-9999 (19) and NH2(194) at 17.3023 20.4489 36.2885 in (null):R-9999 (23) other bump:2.61096 Ang CZ(160) at 19.3999 19.3114 35.2286 in (null):F-9999 (19) and NH2(194) at 17.3023 20.4489 36.2885 in (null):R-9999 (23) other bump:2.05633 Ang CG(155) at 18.9129 21.9362 35.8501 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:1.86344 Ang CD2(157) at 18.1474 20.9387 36.4226 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:1.27107 Ang CE2(159) at 18.3984 19.6262 36.126 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:0.692611 Ang CZ(160) at 19.3999 19.3114 35.2286 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:1.76821 Ang CD1(156) at 19.9045 21.6102 34.9414 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:1.12978 Ang CE1(158) at 20.1659 20.2626 34.6363 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:2.22009 Ang CG(155) at 18.9129 21.9362 35.8501 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:1.49322 Ang CD2(157) at 18.1474 20.9387 36.4226 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:0.976293 Ang CE2(159) at 18.3984 19.6262 36.126 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:1.51499 Ang CZ(160) at 19.3999 19.3114 35.2286 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:2.50524 Ang CD1(156) at 19.9045 21.6102 34.9414 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:2.24311 Ang CE1(158) at 20.1659 20.2626 34.6363 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:2.74392 Ang CD2(157) at 18.1474 20.9387 36.4226 in (null):F-9999 (19) and NE(191) at 17.4335 19.4785 34.2119 in (null):R-9999 (23) other bump:2.14861 Ang CE2(159) at 18.3984 19.6262 36.126 in (null):F-9999 (19) and NE(191) at 17.4335 19.4785 34.2119 in (null):R-9999 (23) other bump:2.21996 Ang CZ(160) at 19.3999 19.3114 35.2286 in (null):F-9999 (19) and NE(191) at 17.4335 19.4785 34.2119 in (null):R-9999 (23) other bump:3.17215 Ang CE2(159) at 18.3984 19.6262 36.126 in (null):F-9999 (19) and CD(190) at 18.1083 18.9342 33.0439 in (null):R-9999 (23) other bump:2.56581 Ang CZ(160) at 19.3999 19.3114 35.2286 in (null):F-9999 (19) and CD(190) at 18.1083 18.9342 33.0439 in (null):R-9999 (23) other bump:2.503 Ang CD2(22) at 11.7706 19.7015 36.8387 in (null):F-9999 (3) and CD2(168) at 12.9793 21.8423 36.3687 in (null):L-9999 (20) other bump:2.51761 Ang CE2(24) at 12.4639 19.485 35.6505 in (null):F-9999 (3) and CD2(168) at 12.9793 21.8423 36.3687 in (null):L-9999 (20) other bump:2.31388 Ang CG2(66) at 15.1483 20.588 41.2628 in (null):I-9999 (8) and CD1(132) at 14.788 22.5547 40.0982 in (null):L-9999 (16) other bump:2.78161 Ang CG2(90) at 19.2626 24.4983 42.2525 in (null):V-9999 (11) and CB(119) at 20.552 26.4908 40.8017 in (null):R-9999 (15) other bump:2.01849 Ang O(68) at 16.398 21.685 43.922 in (null):I-9999 (8) and CG1(89) at 17.233 23.4219 43.3216 in (null):V-9999 (11) neighbor-bump: 1.89251 Ang CA(18) at 9.399 18.293 38.894 in (null):F-9999 (3) and CD(32) at 8.29657 17.1927 39.969 in (null):P-9999 (4) neighbor-bump: 1.27521 Ang C(27) at 8.972 18.2 40.363 in (null):F-9999 (3) and CD(32) at 8.29657 17.1927 39.969 in (null):P-9999 (4) self-bump: 1.32379 Ang N(28) at 9.159 17.024 40.959 in (null):P-9999 (4) and CD(32) at 8.29657 17.1927 39.969 in (null):P-9999 (4) neighbor-bump: 2.20018 Ang O(26) at 8.473 19.164 40.93 in (null):F-9999 (3) and CD(32) at 8.29657 17.1927 39.969 in (null):P-9999 (4) neighbor-bump: 2.41442 Ang C(27) at 8.972 18.2 40.363 in (null):F-9999 (3) and CG(31) at 7.01246 16.828 40.6903 in (null):P-9999 (4) self-bump: 2.17216 Ang N(28) at 9.159 17.024 40.959 in (null):P-9999 (4) and CG(31) at 7.01246 16.828 40.6903 in (null):P-9999 (4) Number of specific fragments= 14 total=79 Number of alignments=6 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/2mnr/T0147_twice-2mnr-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 2mnr read from /projects/compbio/experiments/casp5/t0147/t0147_twice/2mnr/T0147_twice-2mnr-2track-protein-STR-global-adpstyle5.pw.a2m.gz # adding 2mnr to template set 2mnr:# found chain 2mnr in template set T0147_twice 1 :MYPV 2mnr 3 :EVLI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 1.38642 Ang CA(1) at 41.358 30.168 -11.335 in (null):M-9999 (0) and CB(2) at 40.6896 31.3613 -11.1082 in (null):M-9999 (0) T0147_twice 70 :RGIEANIKN 2mnr 7 :TGLRTRAVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0147_twice 106 :APH 2mnr 16 :VPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 111 :ATNTQAMIATIASGNVHIISHPGNPKYEIDVKAVAEAAAKHQVALEINNSSFL 2mnr 176 :LAVVRSIRQAVGDDFGIMVDYNQSLDVPAAIKRSQALQQEGVTWIEEPTLQHD Fragment has 45 clashes (null) has 45 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 55 residues other bump:2.19305 Ang CE1(192) at 15.5771 -6.74336 11.5211 in (null):Y-9999 (27) and CD2(389) at 16.5096 -6.59765 9.54156 in (null):L-9999 (53) other bump:2.56186 Ang CZ(194) at 15.4757 -5.36415 11.5347 in (null):Y-9999 (27) and CD2(389) at 16.5096 -6.59765 9.54156 in (null):L-9999 (53) other bump:2.23471 Ang OH(195) at 15.9937 -4.63803 10.4837 in (null):Y-9999 (27) and CD2(389) at 16.5096 -6.59765 9.54156 in (null):L-9999 (53) other bump:2.6756 Ang OH(195) at 15.9937 -4.63803 10.4837 in (null):Y-9999 (27) and CG(387) at 16.9193 -5.83496 8.27701 in (null):L-9999 (53) other bump:2.91183 Ang OH(195) at 15.9937 -4.63803 10.4837 in (null):Y-9999 (27) and CB(386) at 18.1454 -4.96195 8.54874 in (null):L-9999 (53) other bump:2.70709 Ang CG2(341) at 22.0764 -0.148888 13.811 in (null):I-9999 (47) and O(359) at 21.524 -2.791 13.605 in (null):N-9999 (49) other bump:2.54447 Ang CE2(193) at 14.8478 -4.71181 12.5856 in (null):Y-9999 (27) and ND2(357) at 16.7873 -3.51074 13.7125 in (null):N-9999 (49) other bump:2.73688 Ang OD2(220) at 17.9442 -5.03713 17.4378 in (null):D-9999 (30) and C(352) at 19.893 -3.166 17 in (null):N-9999 (48) other bump:2.32892 Ang CD(174) at 21.6946 -5.42845 18.9416 in (null):P-9999 (25) and O(351) at 20.288 -4.18 17.568 in (null):N-9999 (48) other bump:2.44133 Ang CG1(247) at 13.4378 0.164936 22.4898 in (null):V-9999 (34) and CD1(324) at 15.5283 1.34493 22.9343 in (null):L-9999 (45) other bump:3.05292 Ang CB(246) at 13.9603 -1.25471 22.6124 in (null):V-9999 (34) and CD1(324) at 15.5283 1.34493 22.9343 in (null):L-9999 (45) other bump:2.36703 Ang CG1(105) at 20.0051 12.639 26.4193 in (null):V-9999 (16) and CG1(311) at 17.9776 11.4205 26.5059 in (null):V-9999 (43) other bump:2.40091 Ang CD2(113) at 21.362 5.62464 29.5926 in (null):H-9999 (17) and NE2(305) at 19.074 5.13514 30.1308 in (null):Q-9999 (42) other bump:2.89478 Ang CD1(132) at 19.7198 2.70442 27.369 in (null):I-9999 (19) and OE1(304) at 19.7093 5.52568 28.0171 in (null):Q-9999 (42) other bump:2.64071 Ang CG1(130) at 20.8586 3.51652 26.746 in (null):I-9999 (19) and OE1(304) at 19.7093 5.52568 28.0171 in (null):Q-9999 (42) other bump:2.28548 Ang CD2(113) at 21.362 5.62464 29.5926 in (null):H-9999 (17) and OE1(304) at 19.7093 5.52568 28.0171 in (null):Q-9999 (42) other bump:2.90645 Ang CD1(132) at 19.7198 2.70442 27.369 in (null):I-9999 (19) and CD(303) at 18.8966 5.07969 28.8277 in (null):Q-9999 (42) other bump:3.25978 Ang CG1(130) at 20.8586 3.51652 26.746 in (null):I-9999 (19) and CD(303) at 18.8966 5.07969 28.8277 in (null):Q-9999 (42) other bump:2.63824 Ang CD2(113) at 21.362 5.62464 29.5926 in (null):H-9999 (17) and CD(303) at 18.8966 5.07969 28.8277 in (null):Q-9999 (42) other bump:2.81581 Ang CA(3) at 19.638 -1.988 32.906 in (null):A-9999 (1) and NZ(286) at 17.4404 -0.437679 33.7402 in (null):K-9999 (40) other bump:2.47056 Ang CB(4) at 18.387 -2.7 33.441 in (null):A-9999 (1) and NZ(286) at 17.4404 -0.437679 33.7402 in (null):K-9999 (40) other bump:2.90018 Ang CG(32) at 18.3763 0.977987 36.7377 in (null):Q-9999 (5) and CE(285) at 16.6072 0.578403 34.4746 in (null):K-9999 (40) other bump:1.68195 Ang CB(172) at 19.7639 -6.72942 19.5667 in (null):P-9999 (25) and OD1(219) at 18.3241 -5.86838 19.4467 in (null):D-9999 (30) other bump:2.50148 Ang CG(173) at 20.731 -5.69232 20.1048 in (null):P-9999 (25) and OD1(219) at 18.3241 -5.86838 19.4467 in (null):D-9999 (30) other bump:2.77371 Ang CB(172) at 19.7639 -6.72942 19.5667 in (null):P-9999 (25) and CG(218) at 17.5816 -5.31565 18.6013 in (null):D-9999 (30) neighbor-bump: 2.63776 Ang N(162) at 24.004 -5.055 17.723 in (null):N-9999 (24) and CD(174) at 21.6946 -5.42845 18.9416 in (null):P-9999 (25) self-bump: 1.27059 Ang N(151) at 24.968 -0.822 19.006 in (null):P-9999 (22) and CD(155) at 25.082 -0.12801 20.0642 in (null):P-9999 (22) neighbor-bump: 2.12771 Ang CA(142) at 23.495 -1.243 20.939 in (null):H-9999 (21) and CD(155) at 25.082 -0.12801 20.0642 in (null):P-9999 (22) neighbor-bump: 1.68959 Ang C(150) at 24.491 -1.702 19.897 in (null):H-9999 (21) and CD(155) at 25.082 -0.12801 20.0642 in (null):P-9999 (22) other bump:3.28138 Ang CA(136) at 23.907 2.453 21.715 in (null):S-9999 (20) and CD(155) at 25.082 -0.12801 20.0642 in (null):P-9999 (22) other bump:2.24385 Ang C(140) at 24.123 0.943 21.787 in (null):S-9999 (20) and CD(155) at 25.082 -0.12801 20.0642 in (null):P-9999 (22) neighbor-bump: 1.96823 Ang N(141) at 23.368 0.201 20.974 in (null):H-9999 (21) and CD(155) at 25.082 -0.12801 20.0642 in (null):P-9999 (22) self-bump: 2.12783 Ang N(151) at 24.968 -0.822 19.006 in (null):P-9999 (22) and CG(154) at 26.5941 -0.01153 20.1135 in (null):P-9999 (22) neighbor-bump: 2.70694 Ang C(150) at 24.491 -1.702 19.897 in (null):H-9999 (21) and CG(154) at 26.5941 -0.01153 20.1135 in (null):P-9999 (22) other bump:3.13334 Ang C(140) at 24.123 0.943 21.787 in (null):S-9999 (20) and CG(154) at 26.5941 -0.01153 20.1135 in (null):P-9999 (22) self-bump: 2.15887 Ang N(151) at 24.968 -0.822 19.006 in (null):P-9999 (22) and CB(153) at 27.0777 -1.17268 19.3009 in (null):P-9999 (22) other bump:3.06623 Ang SD(47) at 25.5583 5.80866 31.8722 in (null):M-9999 (7) and CE1(115) at 23.5582 5.5778 29.5596 in (null):H-9999 (17) other bump:3.3579 Ang SD(47) at 25.5583 5.80866 31.8722 in (null):M-9999 (7) and ND1(114) at 23.1837 6.82886 29.7284 in (null):H-9999 (17) other bump:3.38311 Ang CE(48) at 25.8333 7.56789 31.6978 in (null):M-9999 (7) and ND1(114) at 23.1837 6.82886 29.7284 in (null):H-9999 (17) other bump:2.49533 Ang CG2(75) at 23.4118 12.662 34.9142 in (null):I-9999 (11) and ND2(98) at 24.039 14.4629 33.3049 in (null):N-9999 (15) other bump:3.02864 Ang CG2(75) at 23.4118 12.662 34.9142 in (null):I-9999 (11) and CG(97) at 22.946 14.4949 32.5486 in (null):N-9999 (15) other bump:2.80208 Ang CG2(75) at 23.4118 12.662 34.9142 in (null):I-9999 (11) and CB(96) at 21.6494 14.0153 33.207 in (null):N-9999 (15) neighbor-bump: 2.30517 Ang CB(81) at 18.9825 12.9614 39.3386 in (null):A-9999 (12) and N(84) at 17.638 12.76 37.477 in (null):S-9999 (13) self-bump: 2.17301 Ang CB(81) at 18.9825 12.9614 39.3386 in (null):A-9999 (12) and C(83) at 18.922 12.554 37.205 in (null):A-9999 (12) self-bump: 1.28502 Ang CA(80) at 19.83 12.666 38.419 in (null):A-9999 (12) and CB(81) at 18.9825 12.9614 39.3386 in (null):A-9999 (12) T0147_twice 164 :HSRKGSE 2mnr 232 :HQRIQSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0147_twice 172 :NCREVAAAVRDAGGWVALGSDSHTAFTMGEFEECLKILDAVDFPPERI 2mnr 250 :LGPEEMFKALSIGACRLAMPDAMKIGGVTGWIRASALAQQFGIPMSSH Fragment has 128 clashes (null) has 128 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 50 residues other bump:1.84294 Ang O(133) at 24.756 9.689 12.011 in (null):G-9999 (19) and CD1(362) at 25.9893 8.61103 12.8556 in (null):I-9999 (48) other bump:2.44929 Ang O(321) at 15.696 15.581 11.338 in (null):F-9999 (43) and CD(334) at 17.6676 16.6814 12.2871 in (null):P-9999 (45) other bump:3.1334 Ang CB(278) at 17.2155 15.4561 8.14952 in (null):L-9999 (38) and CG(333) at 18.2345 16.0321 11.0561 in (null):P-9999 (45) other bump:2.7259 Ang CD1(280) at 19.381 14.5968 9.04213 in (null):L-9999 (38) and CG(333) at 18.2345 16.0321 11.0561 in (null):P-9999 (45) other bump:2.68855 Ang CD1(280) at 19.381 14.5968 9.04213 in (null):L-9999 (38) and CB(332) at 19.6719 15.8248 11.4161 in (null):P-9999 (45) other bump:0.450785 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:2.67605 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:1.59455 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:2.35041 Ang NH1(72) at 12.7862 8.40231 9.53849 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:2.68684 Ang CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:1.08733 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:2.67931 Ang O(302) at 10.263 13.292 8.646 in (null):V-9999 (41) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:2.24729 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:1.90328 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:3.14375 Ang NH1(72) at 12.7862 8.40231 9.53849 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:2.7609 Ang CB(299) at 12.3768 12.8691 6.24259 in (null):V-9999 (41) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:1.38757 Ang CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:1.67204 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:3.10822 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:1.97591 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:2.18539 Ang NH1(72) at 12.7862 8.40231 9.53849 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:2.19035 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:3.15886 Ang C(303) at 10.765 14.161 7.93 in (null):V-9999 (41) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.34621 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.47028 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.82239 Ang CB(299) at 12.3768 12.8691 6.24259 in (null):V-9999 (41) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:1.93065 Ang CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.53656 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CD1(316) at 12.7241 10.9062 11.0109 in (null):F-9999 (43) other bump:3.18252 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CD1(316) at 12.7241 10.9062 11.0109 in (null):F-9999 (43) other bump:2.53225 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CD1(316) at 12.7241 10.9062 11.0109 in (null):F-9999 (43) other bump:2.85187 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CG(315) at 13.3051 11.892 10.2124 in (null):F-9999 (43) other bump:2.43687 Ang CD1(127) at 16.4515 11.6082 10.5036 in (null):L-9999 (18) and CB(314) at 14.352 12.8156 10.7729 in (null):F-9999 (43) other bump:2.31066 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) other bump:2.48421 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) other bump:2.771 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) other bump:2.49651 Ang CD2(128) at 17.9791 10.5879 8.69345 in (null):L-9999 (18) and CD2(281) at 17.4722 13.0324 8.6824 in (null):L-9999 (38) other bump:2.82535 Ang CG(126) at 17.6546 10.6557 10.1993 in (null):L-9999 (18) and CD2(281) at 17.4722 13.0324 8.6824 in (null):L-9999 (38) other bump:2.52725 Ang CD1(127) at 16.4515 11.6082 10.5036 in (null):L-9999 (18) and CD2(281) at 17.4722 13.0324 8.6824 in (null):L-9999 (38) other bump:2.71054 Ang CE1(222) at 25.2172 19.367 8.2478 in (null):F-9999 (31) and CD1(255) at 23.0741 20.3908 6.94164 in (null):L-9999 (35) other bump:2.90866 Ang CG(19) at 23.1833 13.093 1.14526 in (null):R-9999 (3) and SG(248) at 23.6533 13.229 4.01247 in (null):C-9999 (34) other bump:3.02584 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and N(245) at 21.997 15.559 2.796 in (null):C-9999 (34) other bump:2.68811 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and N(245) at 21.997 15.559 2.796 in (null):C-9999 (34) other bump:3.14841 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:2.25998 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:2.83441 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:2.90527 Ang NH2(24) at 20.1942 16.1129 -0.766164 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:1.70214 Ang NH1(23) at 22.1352 15.8748 -1.95309 in (null):R-9999 (3) and OE1(241) at 23.0652 14.8832 -2.97729 in (null):E-9999 (33) other bump:3.09313 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CD(240) at 23.7611 15.7409 -2.42038 in (null):E-9999 (33) other bump:2.81585 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and CD(240) at 23.7611 15.7409 -2.42038 in (null):E-9999 (33) other bump:1.69702 Ang NH1(23) at 22.1352 15.8748 -1.95309 in (null):R-9999 (3) and CD(240) at 23.7611 15.7409 -2.42038 in (null):E-9999 (33) other bump:2.90308 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CG(239) at 23.0768 16.693 -1.43415 in (null):E-9999 (33) other bump:2.64175 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and CG(239) at 23.0768 16.693 -1.43415 in (null):E-9999 (33) other bump:1.85235 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:1.33339 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:1.41084 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:1.85121 Ang NH1(23) at 22.1352 15.8748 -1.95309 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:2.47342 Ang NH2(24) at 20.1942 16.1129 -0.766164 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:2.97129 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.17305 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.2383 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.57434 Ang NH2(24) at 20.1942 16.1129 -0.766164 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.73099 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and O(214) at 24.737 15.339 2.353 in (null):E-9999 (30) other bump:2.35817 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and OE1(212) at 26.0994 12.6538 -0.806096 in (null):E-9999 (30) other bump:2.64099 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and CD(211) at 27.291 12.9998 -0.925587 in (null):E-9999 (30) other bump:2.11907 Ang CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) and CD(211) at 27.291 12.9998 -0.925587 in (null):E-9999 (30) other bump:2.25343 Ang CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) and CD(211) at 27.291 12.9998 -0.925587 in (null):E-9999 (30) other bump:2.57025 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:2.32792 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:0.868925 Ang CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:1.88605 Ang CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:3.08367 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:3.09853 Ang N(177) at 29.449 11.619 2.747 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:2.26225 Ang CA(178) at 29.915 12.315 1.537 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:2.87699 Ang C(187) at 30.529 13.696 1.811 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:3.07746 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.00986 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.09712 Ang CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.97562 Ang CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.80852 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:3.17191 Ang N(177) at 29.449 11.619 2.747 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.84902 Ang CA(178) at 29.915 12.315 1.537 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:3.10154 Ang C(187) at 30.529 13.696 1.811 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) neighbor-bump: 2.25271 Ang CG2(191) at 32.8442 16.9816 4.40693 in (null):T-9999 (27) and N(195) at 31.027 17.617 3.237 in (null):M-9999 (28) self-bump: 1.26808 Ang CA(189) at 31.623 15.221 3.362 in (null):T-9999 (27) and CB(190) at 32.7677 15.7333 3.54966 in (null):T-9999 (27) other bump:1.78768 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:0.654383 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:2.41753 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:3.24603 Ang C(9) at 26.52 6.45 1.751 in (null):N-9999 (1) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:2.68585 Ang N(10) at 26.554 7.761 1.949 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:3.06385 Ang C(15) at 24.5 9.043 1.333 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:1.26702 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:1.41753 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:3.062 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:2.39883 Ang N(16) at 23.949 10.173 0.868 in (null):R-9999 (3) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:2.59183 Ang N(10) at 26.554 7.761 1.949 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:2.12662 Ang C(15) at 24.5 9.043 1.333 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:3.01394 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CE1(183) at 28.1864 9.00726 -1.03109 in (null):F-9999 (26) other bump:2.03022 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CE1(183) at 28.1864 9.00726 -1.03109 in (null):F-9999 (26) other bump:2.37967 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) other bump:2.67608 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) other bump:3.04698 Ang C(15) at 24.5 9.043 1.333 in (null):C-9999 (2) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) neighbor-bump: 1.8901 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) neighbor-bump: 2.78022 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) neighbor-bump: 2.24244 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) neighbor-bump: 2.83737 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) neighbor-bump: 2.29488 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) other bump:3.15089 Ang C(1) at 25.949 5.907 4.89 in (null):G-9999 (0) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:2.5135 Ang O(0) at 26.608 6.901 5.246 in (null):G-9999 (0) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:2.50608 Ang CG(5) at 29.1787 4.56451 3.73539 in (null):N-9999 (1) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:1.32318 Ang OD1(7) at 29.0303 5.18587 4.78433 in (null):N-9999 (1) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:2.72047 Ang OD1(7) at 29.0303 5.18587 4.78433 in (null):N-9999 (1) and CB(167) at 29.7948 7.31666 6.29306 in (null):T-9999 (24) other bump:2.05386 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and C(122) at 17.239 9.98 13.622 in (null):A-9999 (17) other bump:2.08624 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and C(122) at 17.239 9.98 13.622 in (null):A-9999 (17) other bump:2.32209 Ang CG(100) at 16.256 6.70846 13.4369 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:1.0396 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:2.81768 Ang CE2(103) at 17.3328 7.02244 15.4257 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:1.6066 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:2.60224 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and CB(120) at 16.813 10.419 16.038 in (null):A-9999 (17) other bump:2.68958 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and CA(119) at 16.191 10.446 14.607 in (null):A-9999 (17) other bump:2.48401 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and CA(119) at 16.191 10.446 14.607 in (null):A-9999 (17) other bump:2.38667 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and N(118) at 15.051 9.528 14.477 in (null):A-9999 (17) other bump:2.59638 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and N(118) at 15.051 9.528 14.477 in (null):A-9999 (17) other bump:2.06559 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and OE2(33) at 25.247 6.882 -3.029 in (null):E-9999 (4) other bump:2.67092 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and OE1(32) at 24.288 8.613 -2.182 in (null):E-9999 (4) other bump:2.20826 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and OE1(32) at 24.288 8.613 -2.182 in (null):E-9999 (4) other bump:1.88677 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CD(31) at 24.261 7.43 -2.533 in (null):E-9999 (4) other bump:2.68306 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CG(30) at 22.987 6.593 -2.362 in (null):E-9999 (4) neighbor-bump: 2.20895 Ang O(8) at 25.951 5.915 0.799 in (null):N-9999 (1) and SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) T0147_twice 253 :MHTVASTHAY 2mnr 298 :LFQEISAHLL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.64779 Ang O(43) at 28.476 20.381 13.065 in (null):S-9999 (6) and CD1(71) at 26.4942 18.7728 13.7699 in (null):Y-9999 (10) neighbor-bump: 2.42593 Ang CB(4) at 33.4071 11.5207 15.4254 in (null):M-9999 (1) and N(10) at 33.802 13.424 13.974 in (null):H-9999 (2) self-bump: 2.14233 Ang CB(4) at 33.4071 11.5207 15.4254 in (null):M-9999 (1) and C(9) at 32.544 13.151 14.336 in (null):M-9999 (1) self-bump: 1.24781 Ang CA(3) at 32.253 11.834 15.069 in (null):M-9999 (1) and CB(4) at 33.4071 11.5207 15.4254 in (null):M-9999 (1) T0147_twice 281 :A 2mnr 308 :A Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 291 :DAPHHWHFINMRIWPRVVDGVGILRGIEANIK 2mnr 309 :ATPTAHWLERLDLAGSVIEPTLTFEGGNAVIP Fragment has 51 clashes (null) has 51 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:1.94514 Ang N(178) at 40.985 24.059 18.934 in (null):V-9999 (21) and NZ(264) at 41.3197 25.0488 17.2933 in (null):K-9999 (32) other bump:1.71507 Ang CA(179) at 40.312 25.301 18.658 in (null):V-9999 (21) and NZ(264) at 41.3197 25.0488 17.2933 in (null):K-9999 (32) other bump:0.883568 Ang CB(180) at 40.6066 25.5187 17.0667 in (null):V-9999 (21) and NZ(264) at 41.3197 25.0488 17.2933 in (null):K-9999 (32) other bump:2.36835 Ang CG1(181) at 39.7556 26.6493 16.518 in (null):V-9999 (21) and NZ(264) at 41.3197 25.0488 17.2933 in (null):K-9999 (32) other bump:1.1861 Ang CG2(182) at 42.0961 25.8489 16.8884 in (null):V-9999 (21) and NZ(264) at 41.3197 25.0488 17.2933 in (null):K-9999 (32) other bump:2.59093 Ang N(185) at 38.229 23.947 18.906 in (null):G-9999 (22) and CE(263) at 40.008 25.5345 17.8922 in (null):K-9999 (32) other bump:2.31159 Ang O(183) at 38.131 26.178 19.078 in (null):V-9999 (21) and CE(263) at 40.008 25.5345 17.8922 in (null):K-9999 (32) other bump:2.05349 Ang N(178) at 40.985 24.059 18.934 in (null):V-9999 (21) and CE(263) at 40.008 25.5345 17.8922 in (null):K-9999 (32) other bump:0.856334 Ang CA(179) at 40.312 25.301 18.658 in (null):V-9999 (21) and CE(263) at 40.008 25.5345 17.8922 in (null):K-9999 (32) other bump:1.0198 Ang CB(180) at 40.6066 25.5187 17.0667 in (null):V-9999 (21) and CE(263) at 40.008 25.5345 17.8922 in (null):K-9999 (32) other bump:1.78744 Ang CG1(181) at 39.7556 26.6493 16.518 in (null):V-9999 (21) and CE(263) at 40.008 25.5345 17.8922 in (null):K-9999 (32) other bump:2.33804 Ang CG2(182) at 42.0961 25.8489 16.8884 in (null):V-9999 (21) and CE(263) at 40.008 25.5345 17.8922 in (null):K-9999 (32) other bump:1.61903 Ang C(184) at 38.811 25.16 18.916 in (null):V-9999 (21) and CE(263) at 40.008 25.5345 17.8922 in (null):K-9999 (32) other bump:2.60911 Ang O(183) at 38.131 26.178 19.078 in (null):V-9999 (21) and CD(262) at 39.4653 26.572 16.8707 in (null):K-9999 (32) other bump:2.3509 Ang CA(179) at 40.312 25.301 18.658 in (null):V-9999 (21) and CD(262) at 39.4653 26.572 16.8707 in (null):K-9999 (32) other bump:1.56541 Ang CB(180) at 40.6066 25.5187 17.0667 in (null):V-9999 (21) and CD(262) at 39.4653 26.572 16.8707 in (null):K-9999 (32) other bump:0.463355 Ang CG1(181) at 39.7556 26.6493 16.518 in (null):V-9999 (21) and CD(262) at 39.4653 26.572 16.8707 in (null):K-9999 (32) other bump:2.72844 Ang CG2(182) at 42.0961 25.8489 16.8884 in (null):V-9999 (21) and CD(262) at 39.4653 26.572 16.8707 in (null):K-9999 (32) other bump:2.57 Ang C(184) at 38.811 25.16 18.916 in (null):V-9999 (21) and CD(262) at 39.4653 26.572 16.8707 in (null):K-9999 (32) other bump:2.05134 Ang O(183) at 38.131 26.178 19.078 in (null):V-9999 (21) and CG(261) at 38.1267 27.1465 17.2697 in (null):K-9999 (32) other bump:3.17944 Ang CA(179) at 40.312 25.301 18.658 in (null):V-9999 (21) and CG(261) at 38.1267 27.1465 17.2697 in (null):K-9999 (32) other bump:2.97334 Ang CB(180) at 40.6066 25.5187 17.0667 in (null):V-9999 (21) and CG(261) at 38.1267 27.1465 17.2697 in (null):K-9999 (32) other bump:1.86161 Ang CG1(181) at 39.7556 26.6493 16.518 in (null):V-9999 (21) and CG(261) at 38.1267 27.1465 17.2697 in (null):K-9999 (32) other bump:2.66922 Ang C(184) at 38.811 25.16 18.916 in (null):V-9999 (21) and CG(261) at 38.1267 27.1465 17.2697 in (null):K-9999 (32) other bump:2.5971 Ang CG1(181) at 39.7556 26.6493 16.518 in (null):V-9999 (21) and CB(260) at 37.6825 28.1863 16.2266 in (null):K-9999 (32) neighbor-bump: 3.05637 Ang C(219) at 27.754 23.605 28.654 in (null):G-9999 (26) and CG1(223) at 26.883 20.8992 29.7771 in (null):I-9999 (27) neighbor-bump: 2.23295 Ang O(218) at 26.542 23.692 28.439 in (null):G-9999 (26) and CB(222) at 26.4708 21.4606 28.3947 in (null):I-9999 (27) neighbor-bump: 2.5124 Ang C(219) at 27.754 23.605 28.654 in (null):G-9999 (26) and CB(222) at 26.4708 21.4606 28.3947 in (null):I-9999 (27) other bump:2.79328 Ang C(119) at 40.72 11.658 17.675 in (null):I-9999 (13) and CD(138) at 41.079 13.8089 19.4206 in (null):P-9999 (15) neighbor-bump: 2.4113 Ang N(120) at 40.722 12.907 17.213 in (null):W-9999 (14) and CD(138) at 41.079 13.8089 19.4206 in (null):P-9999 (15) other bump:2.72124 Ang CG(104) at 39.156 15.4352 20.4512 in (null):R-9999 (12) and CD(138) at 41.079 13.8089 19.4206 in (null):P-9999 (15) other bump:2.57051 Ang O(110) at 39.479 12.103 20.487 in (null):R-9999 (12) and CD(138) at 41.079 13.8089 19.4206 in (null):P-9999 (15) other bump:2.88081 Ang C(111) at 38.546 12.488 19.792 in (null):R-9999 (12) and CD(138) at 41.079 13.8089 19.4206 in (null):P-9999 (15) other bump:2.62822 Ang CB(103) at 38.0691 14.6106 21.1557 in (null):R-9999 (12) and CG(137) at 40.6473 14.5932 20.6456 in (null):P-9999 (15) other bump:1.72358 Ang CG(104) at 39.156 15.4352 20.4512 in (null):R-9999 (12) and CG(137) at 40.6473 14.5932 20.6456 in (null):P-9999 (15) other bump:3.09452 Ang C(111) at 38.546 12.488 19.792 in (null):R-9999 (12) and CG(137) at 40.6473 14.5932 20.6456 in (null):P-9999 (15) other bump:2.43607 Ang CD(105) at 39.4864 16.6459 21.2566 in (null):R-9999 (12) and CG(137) at 40.6473 14.5932 20.6456 in (null):P-9999 (15) other bump:2.84172 Ang CG(104) at 39.156 15.4352 20.4512 in (null):R-9999 (12) and CB(136) at 41.9084 15.2391 21.1303 in (null):P-9999 (15) other bump:2.80375 Ang CD(105) at 39.4864 16.6459 21.2566 in (null):R-9999 (12) and CB(136) at 41.9084 15.2391 21.1303 in (null):P-9999 (15) other bump:2.68177 Ang CZ(107) at 41.5953 17.8998 21.008 in (null):R-9999 (12) and CB(136) at 41.9084 15.2391 21.1303 in (null):P-9999 (15) other bump:2.37106 Ang NH1(108) at 42.0853 17.3818 22.1301 in (null):R-9999 (12) and CB(136) at 41.9084 15.2391 21.1303 in (null):P-9999 (15) other bump:2.76105 Ang CZ(107) at 41.5953 17.8998 21.008 in (null):R-9999 (12) and CA(135) at 42.65 15.641 19.821 in (null):P-9999 (15) other bump:3.12756 Ang NH2(109) at 42.3566 18.7216 20.2742 in (null):R-9999 (12) and CA(135) at 42.65 15.641 19.821 in (null):P-9999 (15) neighbor-bump: 3.20062 Ang CZ2(51) at 16.5385 16.9823 21.7727 in (null):W-9999 (6) and CE1(62) at 19.5685 15.9536 21.8387 in (null):H-9999 (7) neighbor-bump: 2.44986 Ang CD1(46) at 18.957 15.5772 19.4964 in (null):W-9999 (6) and CE1(62) at 19.5685 15.9536 21.8387 in (null):H-9999 (7) neighbor-bump: 1.75448 Ang NE1(50) at 18.2882 15.548 20.7097 in (null):W-9999 (6) and CE1(62) at 19.5685 15.9536 21.8387 in (null):H-9999 (7) neighbor-bump: 2.48069 Ang CE2(48) at 17.4296 16.5986 20.7603 in (null):W-9999 (6) and CE1(62) at 19.5685 15.9536 21.8387 in (null):H-9999 (7) neighbor-bump: 1.85412 Ang CD1(46) at 18.957 15.5772 19.4964 in (null):W-9999 (6) and ND1(61) at 20.2946 15.6732 20.7768 in (null):H-9999 (7) neighbor-bump: 2.01136 Ang NE1(50) at 18.2882 15.548 20.7097 in (null):W-9999 (6) and ND1(61) at 20.2946 15.6732 20.7768 in (null):H-9999 (7) neighbor-bump: 2.85509 Ang CG(45) at 18.5268 16.6497 18.7586 in (null):W-9999 (6) and ND1(61) at 20.2946 15.6732 20.7768 in (null):H-9999 (7) neighbor-bump: 3.0107 Ang CE2(48) at 17.4296 16.5986 20.7603 in (null):W-9999 (6) and ND1(61) at 20.2946 15.6732 20.7768 in (null):H-9999 (7) T0147_twice 323 :NVDGEI 2mnr 342 :LPGVGI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues self-bump: 2.21887 Ang CB(19) at 37.7269 26.1406 6.17348 in (null):D-9999 (3) and C(24) at 36.969 26.442 8.237 in (null):D-9999 (3) neighbor-bump: 3.10433 Ang CG1(13) at 37.5996 29.873 6.24166 in (null):V-9999 (2) and OD1(21) at 37.1082 27.4928 4.31033 in (null):D-9999 (3) self-bump: 1.28581 Ang CA(18) at 37.523 27.121 6.98 in (null):D-9999 (3) and CB(19) at 37.7269 26.1406 6.17348 in (null):D-9999 (3) neighbor-bump: 2.8504 Ang CG1(13) at 37.5996 29.873 6.24166 in (null):V-9999 (2) and CA(18) at 37.523 27.121 6.98 in (null):D-9999 (3) neighbor-bump: 2.40636 Ang CB(12) at 38.1462 30.9262 7.18793 in (null):V-9999 (2) and N(17) at 37.767 28.55 7.172 in (null):D-9999 (3) neighbor-bump: 1.62605 Ang CG1(13) at 37.5996 29.873 6.24166 in (null):V-9999 (2) and N(17) at 37.767 28.55 7.172 in (null):D-9999 (3) self-bump: 2.18714 Ang CB(12) at 38.1462 30.9262 7.18793 in (null):V-9999 (2) and C(16) at 38.628 28.992 8.088 in (null):V-9999 (2) self-bump: 2.28974 Ang CG1(13) at 37.5996 29.873 6.24166 in (null):V-9999 (2) and C(16) at 38.628 28.992 8.088 in (null):V-9999 (2) self-bump: 1.2931 Ang CA(11) at 38.798 30.49 8.216 in (null):V-9999 (2) and CB(12) at 38.1462 30.9262 7.18793 in (null):V-9999 (2) T0147_twice 383 :EIDVKAVAEAA 2mnr 348 :IWREKEIGKYL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 11 total=90 Number of alignments=7 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/2mnr/T0147_twice-2mnr-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 2mnr read from /projects/compbio/experiments/casp5/t0147/t0147_twice/2mnr/T0147_twice-2mnr-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 2mnr in template set T0147_twice 67 :GILRGIEANIKN 2mnr 4 :VLITGLRTRAVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0147_twice 106 :APHDK 2mnr 16 :VPLAY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues self-bump: 2.21967 Ang CB(26) at 42.1266 8.63214 27.3498 in (null):D-9999 (4) and C(31) at 41.591 6.512 26.969 in (null):D-9999 (4) self-bump: 1.2741 Ang CA(25) at 42.505 7.678 26.595 in (null):D-9999 (4) and CB(26) at 42.1266 8.63214 27.3498 in (null):D-9999 (4) T0147_twice 111 :ATNTQAMIATIASGNVHIISHPGNPKYEIDVKAVAEAAAKHQVALEINN 2mnr 176 :LAVVRSIRQAVGDDFGIMVDYNQSLDVPAAIKRSQALQQEGVTWIEEPT Fragment has 40 clashes (null) has 40 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 51 residues other bump:2.70709 Ang CG2(341) at 22.0764 -0.148888 13.811 in (null):I-9999 (47) and O(359) at 21.524 -2.791 13.605 in (null):N-9999 (49) other bump:2.54447 Ang CE2(193) at 14.8478 -4.71181 12.5856 in (null):Y-9999 (27) and ND2(357) at 16.7873 -3.51074 13.7125 in (null):N-9999 (49) other bump:2.73688 Ang OD2(220) at 17.9442 -5.03713 17.4378 in (null):D-9999 (30) and C(352) at 19.893 -3.166 17 in (null):N-9999 (48) other bump:2.32892 Ang CD(174) at 21.6946 -5.42845 18.9416 in (null):P-9999 (25) and O(351) at 20.288 -4.18 17.568 in (null):N-9999 (48) other bump:2.44133 Ang CG1(247) at 13.4378 0.164936 22.4898 in (null):V-9999 (34) and CD1(324) at 15.5283 1.34493 22.9343 in (null):L-9999 (45) other bump:3.05292 Ang CB(246) at 13.9603 -1.25471 22.6124 in (null):V-9999 (34) and CD1(324) at 15.5283 1.34493 22.9343 in (null):L-9999 (45) other bump:2.36703 Ang CG1(105) at 20.0051 12.639 26.4193 in (null):V-9999 (16) and CG1(311) at 17.9776 11.4205 26.5059 in (null):V-9999 (43) other bump:2.40091 Ang CD2(113) at 21.362 5.62464 29.5926 in (null):H-9999 (17) and NE2(305) at 19.074 5.13514 30.1308 in (null):Q-9999 (42) other bump:2.89478 Ang CD1(132) at 19.7198 2.70442 27.369 in (null):I-9999 (19) and OE1(304) at 19.7093 5.52568 28.0171 in (null):Q-9999 (42) other bump:2.64071 Ang CG1(130) at 20.8586 3.51652 26.746 in (null):I-9999 (19) and OE1(304) at 19.7093 5.52568 28.0171 in (null):Q-9999 (42) other bump:2.28548 Ang CD2(113) at 21.362 5.62464 29.5926 in (null):H-9999 (17) and OE1(304) at 19.7093 5.52568 28.0171 in (null):Q-9999 (42) other bump:2.90645 Ang CD1(132) at 19.7198 2.70442 27.369 in (null):I-9999 (19) and CD(303) at 18.8966 5.07969 28.8277 in (null):Q-9999 (42) other bump:3.25978 Ang CG1(130) at 20.8586 3.51652 26.746 in (null):I-9999 (19) and CD(303) at 18.8966 5.07969 28.8277 in (null):Q-9999 (42) other bump:2.63824 Ang CD2(113) at 21.362 5.62464 29.5926 in (null):H-9999 (17) and CD(303) at 18.8966 5.07969 28.8277 in (null):Q-9999 (42) other bump:2.81581 Ang CA(3) at 19.638 -1.988 32.906 in (null):A-9999 (1) and NZ(286) at 17.4404 -0.437679 33.7402 in (null):K-9999 (40) other bump:2.47056 Ang CB(4) at 18.387 -2.7 33.441 in (null):A-9999 (1) and NZ(286) at 17.4404 -0.437679 33.7402 in (null):K-9999 (40) other bump:2.90018 Ang CG(32) at 18.3763 0.977987 36.7377 in (null):Q-9999 (5) and CE(285) at 16.6072 0.578403 34.4746 in (null):K-9999 (40) other bump:1.68195 Ang CB(172) at 19.7639 -6.72942 19.5667 in (null):P-9999 (25) and OD1(219) at 18.3241 -5.86838 19.4467 in (null):D-9999 (30) other bump:2.50148 Ang CG(173) at 20.731 -5.69232 20.1048 in (null):P-9999 (25) and OD1(219) at 18.3241 -5.86838 19.4467 in (null):D-9999 (30) other bump:2.77371 Ang CB(172) at 19.7639 -6.72942 19.5667 in (null):P-9999 (25) and CG(218) at 17.5816 -5.31565 18.6013 in (null):D-9999 (30) neighbor-bump: 2.63776 Ang N(162) at 24.004 -5.055 17.723 in (null):N-9999 (24) and CD(174) at 21.6946 -5.42845 18.9416 in (null):P-9999 (25) self-bump: 1.27059 Ang N(151) at 24.968 -0.822 19.006 in (null):P-9999 (22) and CD(155) at 25.082 -0.12801 20.0642 in (null):P-9999 (22) neighbor-bump: 2.12771 Ang CA(142) at 23.495 -1.243 20.939 in (null):H-9999 (21) and CD(155) at 25.082 -0.12801 20.0642 in (null):P-9999 (22) neighbor-bump: 1.68959 Ang C(150) at 24.491 -1.702 19.897 in (null):H-9999 (21) and CD(155) at 25.082 -0.12801 20.0642 in (null):P-9999 (22) other bump:3.28138 Ang CA(136) at 23.907 2.453 21.715 in (null):S-9999 (20) and CD(155) at 25.082 -0.12801 20.0642 in (null):P-9999 (22) other bump:2.24385 Ang C(140) at 24.123 0.943 21.787 in (null):S-9999 (20) and CD(155) at 25.082 -0.12801 20.0642 in (null):P-9999 (22) neighbor-bump: 1.96823 Ang N(141) at 23.368 0.201 20.974 in (null):H-9999 (21) and CD(155) at 25.082 -0.12801 20.0642 in (null):P-9999 (22) self-bump: 2.12783 Ang N(151) at 24.968 -0.822 19.006 in (null):P-9999 (22) and CG(154) at 26.5941 -0.01153 20.1135 in (null):P-9999 (22) neighbor-bump: 2.70694 Ang C(150) at 24.491 -1.702 19.897 in (null):H-9999 (21) and CG(154) at 26.5941 -0.01153 20.1135 in (null):P-9999 (22) other bump:3.13334 Ang C(140) at 24.123 0.943 21.787 in (null):S-9999 (20) and CG(154) at 26.5941 -0.01153 20.1135 in (null):P-9999 (22) self-bump: 2.15887 Ang N(151) at 24.968 -0.822 19.006 in (null):P-9999 (22) and CB(153) at 27.0777 -1.17268 19.3009 in (null):P-9999 (22) other bump:3.06623 Ang SD(47) at 25.5583 5.80866 31.8722 in (null):M-9999 (7) and CE1(115) at 23.5582 5.5778 29.5596 in (null):H-9999 (17) other bump:3.3579 Ang SD(47) at 25.5583 5.80866 31.8722 in (null):M-9999 (7) and ND1(114) at 23.1837 6.82886 29.7284 in (null):H-9999 (17) other bump:3.38311 Ang CE(48) at 25.8333 7.56789 31.6978 in (null):M-9999 (7) and ND1(114) at 23.1837 6.82886 29.7284 in (null):H-9999 (17) other bump:2.49533 Ang CG2(75) at 23.4118 12.662 34.9142 in (null):I-9999 (11) and ND2(98) at 24.039 14.4629 33.3049 in (null):N-9999 (15) other bump:3.02864 Ang CG2(75) at 23.4118 12.662 34.9142 in (null):I-9999 (11) and CG(97) at 22.946 14.4949 32.5486 in (null):N-9999 (15) other bump:2.80208 Ang CG2(75) at 23.4118 12.662 34.9142 in (null):I-9999 (11) and CB(96) at 21.6494 14.0153 33.207 in (null):N-9999 (15) neighbor-bump: 2.30517 Ang CB(81) at 18.9825 12.9614 39.3386 in (null):A-9999 (12) and N(84) at 17.638 12.76 37.477 in (null):S-9999 (13) self-bump: 2.17301 Ang CB(81) at 18.9825 12.9614 39.3386 in (null):A-9999 (12) and C(83) at 18.922 12.554 37.205 in (null):A-9999 (12) self-bump: 1.28502 Ang CA(80) at 19.83 12.666 38.419 in (null):A-9999 (12) and CB(81) at 18.9825 12.9614 39.3386 in (null):A-9999 (12) T0147_twice 162 :FLHSRKGSED 2mnr 225 :LQHDYEGHQR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0147_twice 172 :NCREVAAAVRDAGGWVALGSDSHTAFTMGEFEECLKILDAVDFPPERILNVSP 2mnr 250 :LGPEEMFKALSIGACRLAMPDAMKIGGVTGWIRASALAQQFGIPMSSHLFQEI Fragment has 163 clashes (null) has 163 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 55 residues other bump:2.2186 Ang NH1(353) at 32.5307 16.6294 14.8385 in (null):R-9999 (47) and C(387) at 33.617 18.467 15.443 in (null):V-9999 (51) other bump:2.64754 Ang CZ(352) at 32.3354 15.9299 13.7288 in (null):R-9999 (47) and CA(382) at 33.175 17.112 15.944 in (null):V-9999 (51) other bump:1.36753 Ang NH1(353) at 32.5307 16.6294 14.8385 in (null):R-9999 (47) and CA(382) at 33.175 17.112 15.944 in (null):V-9999 (51) other bump:2.06882 Ang CZ(352) at 32.3354 15.9299 13.7288 in (null):R-9999 (47) and N(381) at 33.762 15.986 15.226 in (null):V-9999 (51) other bump:1.44233 Ang NH1(353) at 32.5307 16.6294 14.8385 in (null):R-9999 (47) and N(381) at 33.762 15.986 15.226 in (null):V-9999 (51) other bump:2.33504 Ang NH2(354) at 33.3663 15.6344 12.9518 in (null):R-9999 (47) and N(381) at 33.762 15.986 15.226 in (null):V-9999 (51) other bump:2.59023 Ang NE(351) at 31.111 15.5302 13.3891 in (null):R-9999 (47) and C(380) at 33.625 15.898 13.893 in (null):N-9999 (50) other bump:1.3004 Ang CZ(352) at 32.3354 15.9299 13.7288 in (null):R-9999 (47) and C(380) at 33.625 15.898 13.893 in (null):N-9999 (50) other bump:1.62067 Ang NH1(353) at 32.5307 16.6294 14.8385 in (null):R-9999 (47) and C(380) at 33.625 15.898 13.893 in (null):N-9999 (50) other bump:1.01113 Ang NH2(354) at 33.3663 15.6344 12.9518 in (null):R-9999 (47) and C(380) at 33.625 15.898 13.893 in (null):N-9999 (50) other bump:1.20836 Ang CZ(352) at 32.3354 15.9299 13.7288 in (null):R-9999 (47) and O(379) at 33.032 16.794 13.251 in (null):N-9999 (50) other bump:1.67292 Ang NH1(353) at 32.5307 16.6294 14.8385 in (null):R-9999 (47) and O(379) at 33.032 16.794 13.251 in (null):N-9999 (50) other bump:1.24341 Ang NH2(354) at 33.3663 15.6344 12.9518 in (null):R-9999 (47) and O(379) at 33.032 16.794 13.251 in (null):N-9999 (50) other bump:2.83176 Ang CZ(352) at 32.3354 15.9299 13.7288 in (null):R-9999 (47) and CB(375) at 33.8401 14.52 11.7879 in (null):N-9999 (50) other bump:1.67955 Ang NH2(354) at 33.3663 15.6344 12.9518 in (null):R-9999 (47) and CB(375) at 33.8401 14.52 11.7879 in (null):N-9999 (50) other bump:2.33875 Ang CZ(352) at 32.3354 15.9299 13.7288 in (null):R-9999 (47) and CA(374) at 34.225 14.638 13.249 in (null):N-9999 (50) other bump:1.34851 Ang NH2(354) at 33.3663 15.6344 12.9518 in (null):R-9999 (47) and CA(374) at 34.225 14.638 13.249 in (null):N-9999 (50) other bump:2.91387 Ang CZ(352) at 32.3354 15.9299 13.7288 in (null):R-9999 (47) and N(373) at 33.802 13.424 13.974 in (null):N-9999 (50) other bump:2.47396 Ang NH2(354) at 33.3663 15.6344 12.9518 in (null):R-9999 (47) and N(373) at 33.802 13.424 13.974 in (null):N-9999 (50) other bump:2.93436 Ang NE(351) at 31.111 15.5302 13.3891 in (null):R-9999 (47) and C(372) at 32.544 13.151 14.336 in (null):L-9999 (49) other bump:2.85213 Ang CZ(352) at 32.3354 15.9299 13.7288 in (null):R-9999 (47) and C(372) at 32.544 13.151 14.336 in (null):L-9999 (49) other bump:2.95961 Ang NH2(354) at 33.3663 15.6344 12.9518 in (null):R-9999 (47) and C(372) at 32.544 13.151 14.336 in (null):L-9999 (49) other bump:2.53057 Ang CD(350) at 29.9005 15.806 14.1633 in (null):R-9999 (47) and O(371) at 31.606 13.937 14.121 in (null):L-9999 (49) other bump:1.82177 Ang NE(351) at 31.111 15.5302 13.3891 in (null):R-9999 (47) and O(371) at 31.606 13.937 14.121 in (null):L-9999 (49) other bump:2.15815 Ang CZ(352) at 32.3354 15.9299 13.7288 in (null):R-9999 (47) and O(371) at 31.606 13.937 14.121 in (null):L-9999 (49) other bump:2.93368 Ang CA(136) at 24.91 11.041 9.668 in (null):S-9999 (20) and CD1(362) at 27.2879 9.65681 10.6859 in (null):I-9999 (48) other bump:1.48043 Ang N(141) at 27.279 10.578 9.527 in (null):D-9999 (21) and CD1(362) at 27.2879 9.65681 10.6859 in (null):I-9999 (48) other bump:1.97749 Ang CA(142) at 28.708 10.691 9.778 in (null):D-9999 (21) and CD1(362) at 27.2879 9.65681 10.6859 in (null):I-9999 (48) other bump:2.55152 Ang O(139) at 26.554 12.06 11.129 in (null):S-9999 (20) and CD1(362) at 27.2879 9.65681 10.6859 in (null):I-9999 (48) other bump:1.97485 Ang C(140) at 26.338 11.308 10.165 in (null):S-9999 (20) and CD1(362) at 27.2879 9.65681 10.6859 in (null):I-9999 (48) other bump:2.23682 Ang CB(143) at 29.285 9.274 9.754 in (null):D-9999 (21) and CD1(362) at 27.2879 9.65681 10.6859 in (null):I-9999 (48) other bump:2.21658 Ang N(141) at 27.279 10.578 9.527 in (null):D-9999 (21) and CG1(360) at 27.6925 10.7256 11.6997 in (null):I-9999 (48) other bump:2.17378 Ang CA(142) at 28.708 10.691 9.778 in (null):D-9999 (21) and CG1(360) at 27.6925 10.7256 11.6997 in (null):I-9999 (48) other bump:1.84454 Ang O(139) at 26.554 12.06 11.129 in (null):S-9999 (20) and CG1(360) at 27.6925 10.7256 11.6997 in (null):I-9999 (48) other bump:2.12813 Ang C(140) at 26.338 11.308 10.165 in (null):S-9999 (20) and CG1(360) at 27.6925 10.7256 11.6997 in (null):I-9999 (48) other bump:2.90328 Ang CB(143) at 29.285 9.274 9.754 in (null):D-9999 (21) and CG1(360) at 27.6925 10.7256 11.6997 in (null):I-9999 (48) other bump:2.44929 Ang O(321) at 15.696 15.581 11.338 in (null):F-9999 (43) and CD(334) at 17.6676 16.6814 12.2871 in (null):P-9999 (45) other bump:3.1334 Ang CB(278) at 17.2155 15.4561 8.14952 in (null):L-9999 (38) and CG(333) at 18.2345 16.0321 11.0561 in (null):P-9999 (45) other bump:2.7259 Ang CD1(280) at 19.381 14.5968 9.04213 in (null):L-9999 (38) and CG(333) at 18.2345 16.0321 11.0561 in (null):P-9999 (45) other bump:2.68855 Ang CD1(280) at 19.381 14.5968 9.04213 in (null):L-9999 (38) and CB(332) at 19.6719 15.8248 11.4161 in (null):P-9999 (45) other bump:0.450785 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:2.67605 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:1.59455 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:2.35041 Ang NH1(72) at 12.7862 8.40231 9.53849 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:2.68684 Ang CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:1.08733 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:2.67931 Ang O(302) at 10.263 13.292 8.646 in (null):V-9999 (41) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:2.24729 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:1.90328 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:3.14375 Ang NH1(72) at 12.7862 8.40231 9.53849 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:2.7609 Ang CB(299) at 12.3768 12.8691 6.24259 in (null):V-9999 (41) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:1.38757 Ang CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:1.67204 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:3.10822 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:1.97591 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:2.18539 Ang NH1(72) at 12.7862 8.40231 9.53849 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:2.19035 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:3.15886 Ang C(303) at 10.765 14.161 7.93 in (null):V-9999 (41) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.34621 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.47028 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.82239 Ang CB(299) at 12.3768 12.8691 6.24259 in (null):V-9999 (41) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:1.93065 Ang CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.53656 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CD1(316) at 12.7241 10.9062 11.0109 in (null):F-9999 (43) other bump:3.18252 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CD1(316) at 12.7241 10.9062 11.0109 in (null):F-9999 (43) other bump:2.53225 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CD1(316) at 12.7241 10.9062 11.0109 in (null):F-9999 (43) other bump:2.85187 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CG(315) at 13.3051 11.892 10.2124 in (null):F-9999 (43) other bump:2.43687 Ang CD1(127) at 16.4515 11.6082 10.5036 in (null):L-9999 (18) and CB(314) at 14.352 12.8156 10.7729 in (null):F-9999 (43) other bump:2.31066 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) other bump:2.48421 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) other bump:2.771 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) other bump:2.49651 Ang CD2(128) at 17.9791 10.5879 8.69345 in (null):L-9999 (18) and CD2(281) at 17.4722 13.0324 8.6824 in (null):L-9999 (38) other bump:2.82535 Ang CG(126) at 17.6546 10.6557 10.1993 in (null):L-9999 (18) and CD2(281) at 17.4722 13.0324 8.6824 in (null):L-9999 (38) other bump:2.52725 Ang CD1(127) at 16.4515 11.6082 10.5036 in (null):L-9999 (18) and CD2(281) at 17.4722 13.0324 8.6824 in (null):L-9999 (38) other bump:2.71054 Ang CE1(222) at 25.2172 19.367 8.2478 in (null):F-9999 (31) and CD1(255) at 23.0741 20.3908 6.94164 in (null):L-9999 (35) other bump:2.90866 Ang CG(19) at 23.1833 13.093 1.14526 in (null):R-9999 (3) and SG(248) at 23.6533 13.229 4.01247 in (null):C-9999 (34) other bump:3.02584 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and N(245) at 21.997 15.559 2.796 in (null):C-9999 (34) other bump:2.68811 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and N(245) at 21.997 15.559 2.796 in (null):C-9999 (34) other bump:2.90527 Ang NH2(24) at 20.1942 16.1129 -0.766164 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:3.14841 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:2.25998 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:2.83441 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:1.70214 Ang NH1(23) at 22.1352 15.8748 -1.95309 in (null):R-9999 (3) and OE1(241) at 23.0652 14.8832 -2.97729 in (null):E-9999 (33) other bump:3.09313 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CD(240) at 23.7611 15.7409 -2.42038 in (null):E-9999 (33) other bump:2.81585 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and CD(240) at 23.7611 15.7409 -2.42038 in (null):E-9999 (33) other bump:1.69702 Ang NH1(23) at 22.1352 15.8748 -1.95309 in (null):R-9999 (3) and CD(240) at 23.7611 15.7409 -2.42038 in (null):E-9999 (33) other bump:2.90308 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CG(239) at 23.0768 16.693 -1.43415 in (null):E-9999 (33) other bump:2.64175 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and CG(239) at 23.0768 16.693 -1.43415 in (null):E-9999 (33) other bump:2.47342 Ang NH2(24) at 20.1942 16.1129 -0.766164 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:1.85235 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:1.33339 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:1.41084 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:1.85121 Ang NH1(23) at 22.1352 15.8748 -1.95309 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:2.57434 Ang NH2(24) at 20.1942 16.1129 -0.766164 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.97129 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.17305 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.2383 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.73099 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and O(214) at 24.737 15.339 2.353 in (null):E-9999 (30) other bump:2.35817 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and OE1(212) at 26.0994 12.6538 -0.806096 in (null):E-9999 (30) other bump:2.25343 Ang CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) and CD(211) at 27.291 12.9998 -0.925587 in (null):E-9999 (30) other bump:2.64099 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and CD(211) at 27.291 12.9998 -0.925587 in (null):E-9999 (30) other bump:2.11907 Ang CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) and CD(211) at 27.291 12.9998 -0.925587 in (null):E-9999 (30) other bump:1.88605 Ang CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:2.57025 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:2.32792 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:3.08367 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:0.868925 Ang CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:3.09853 Ang N(177) at 29.449 11.619 2.747 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:2.26225 Ang CA(178) at 29.915 12.315 1.537 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:2.87699 Ang C(187) at 30.529 13.696 1.811 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:2.97562 Ang CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:3.07746 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.00986 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.80852 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.09712 Ang CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:3.17191 Ang N(177) at 29.449 11.619 2.747 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.84902 Ang CA(178) at 29.915 12.315 1.537 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:3.10154 Ang C(187) at 30.529 13.696 1.811 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) neighbor-bump: 2.25271 Ang CG2(191) at 32.8442 16.9816 4.40693 in (null):T-9999 (27) and N(195) at 31.027 17.617 3.237 in (null):M-9999 (28) self-bump: 1.26808 Ang CA(189) at 31.623 15.221 3.362 in (null):T-9999 (27) and CB(190) at 32.7677 15.7333 3.54966 in (null):T-9999 (27) other bump:3.06385 Ang C(15) at 24.5 9.043 1.333 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:1.78768 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:0.654383 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:2.41753 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:3.24603 Ang C(9) at 26.52 6.45 1.751 in (null):N-9999 (1) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:2.68585 Ang N(10) at 26.554 7.761 1.949 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:2.39883 Ang N(16) at 23.949 10.173 0.868 in (null):R-9999 (3) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:2.12662 Ang C(15) at 24.5 9.043 1.333 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:1.26702 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:1.41753 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:3.062 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:2.59183 Ang N(10) at 26.554 7.761 1.949 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:3.01394 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CE1(183) at 28.1864 9.00726 -1.03109 in (null):F-9999 (26) other bump:2.03022 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CE1(183) at 28.1864 9.00726 -1.03109 in (null):F-9999 (26) other bump:3.04698 Ang C(15) at 24.5 9.043 1.333 in (null):C-9999 (2) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) other bump:2.37967 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) other bump:2.67608 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) neighbor-bump: 1.8901 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) neighbor-bump: 2.78022 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) neighbor-bump: 2.24244 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) neighbor-bump: 2.83737 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) neighbor-bump: 2.29488 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) other bump:3.15089 Ang C(1) at 25.949 5.907 4.89 in (null):G-9999 (0) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:2.5135 Ang O(0) at 26.608 6.901 5.246 in (null):G-9999 (0) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:2.50608 Ang CG(5) at 29.1787 4.56451 3.73539 in (null):N-9999 (1) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:1.32318 Ang OD1(7) at 29.0303 5.18587 4.78433 in (null):N-9999 (1) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:2.72047 Ang OD1(7) at 29.0303 5.18587 4.78433 in (null):N-9999 (1) and CB(167) at 29.7948 7.31666 6.29306 in (null):T-9999 (24) other bump:2.05386 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and C(122) at 17.239 9.98 13.622 in (null):A-9999 (17) other bump:2.08624 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and C(122) at 17.239 9.98 13.622 in (null):A-9999 (17) other bump:2.32209 Ang CG(100) at 16.256 6.70846 13.4369 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:1.0396 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:2.81768 Ang CE2(103) at 17.3328 7.02244 15.4257 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:1.6066 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:2.60224 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and CB(120) at 16.813 10.419 16.038 in (null):A-9999 (17) other bump:2.68958 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and CA(119) at 16.191 10.446 14.607 in (null):A-9999 (17) other bump:2.48401 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and CA(119) at 16.191 10.446 14.607 in (null):A-9999 (17) other bump:2.38667 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and N(118) at 15.051 9.528 14.477 in (null):A-9999 (17) other bump:2.59638 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and N(118) at 15.051 9.528 14.477 in (null):A-9999 (17) other bump:2.06559 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and OE2(33) at 25.247 6.882 -3.029 in (null):E-9999 (4) other bump:2.67092 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and OE1(32) at 24.288 8.613 -2.182 in (null):E-9999 (4) other bump:2.20826 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and OE1(32) at 24.288 8.613 -2.182 in (null):E-9999 (4) other bump:1.88677 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CD(31) at 24.261 7.43 -2.533 in (null):E-9999 (4) other bump:2.68306 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CG(30) at 22.987 6.593 -2.362 in (null):E-9999 (4) neighbor-bump: 2.20895 Ang O(8) at 25.951 5.915 0.799 in (null):N-9999 (1) and SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) T0147_twice 225 :RRLLNFLESRGMAPIAEFADLMYPV 2mnr 304 :AHLLAATPTAHWLERLDLAGSVIEP Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.7309 Ang C(154) at 42.561 14.549 17.656 in (null):A-9999 (19) and CZ(187) at 40.6784 16.5117 17.4074 in (null):Y-9999 (23) other bump:2.82743 Ang N(155) at 42.147 14.622 18.913 in (null):D-9999 (20) and CZ(187) at 40.6784 16.5117 17.4074 in (null):Y-9999 (23) other bump:2.06357 Ang CB(152) at 41.701 14.144 15.385 in (null):A-9999 (19) and CE2(186) at 41.5904 15.8138 16.5924 in (null):Y-9999 (23) other bump:3.09661 Ang N(150) at 40.722 12.907 17.213 in (null):A-9999 (19) and CE2(186) at 41.5904 15.8138 16.5924 in (null):Y-9999 (23) other bump:2.33969 Ang CA(151) at 41.945 13.506 16.742 in (null):A-9999 (19) and CE2(186) at 41.5904 15.8138 16.5924 in (null):Y-9999 (23) other bump:2.08913 Ang O(153) at 43.492 15.254 17.252 in (null):A-9999 (19) and CE2(186) at 41.5904 15.8138 16.5924 in (null):Y-9999 (23) other bump:1.91653 Ang C(154) at 42.561 14.549 17.656 in (null):A-9999 (19) and CE2(186) at 41.5904 15.8138 16.5924 in (null):Y-9999 (23) other bump:2.66749 Ang N(155) at 42.147 14.622 18.913 in (null):D-9999 (20) and CE2(186) at 41.5904 15.8138 16.5924 in (null):Y-9999 (23) other bump:2.63582 Ang CB(152) at 41.701 14.144 15.385 in (null):A-9999 (19) and CD2(184) at 42.6034 16.5397 16.0125 in (null):Y-9999 (23) other bump:3.18888 Ang CA(151) at 41.945 13.506 16.742 in (null):A-9999 (19) and CD2(184) at 42.6034 16.5397 16.0125 in (null):Y-9999 (23) other bump:1.99471 Ang O(153) at 43.492 15.254 17.252 in (null):A-9999 (19) and CD2(184) at 42.6034 16.5397 16.0125 in (null):Y-9999 (23) other bump:2.58179 Ang C(154) at 42.561 14.549 17.656 in (null):A-9999 (19) and CD2(184) at 42.6034 16.5397 16.0125 in (null):Y-9999 (23) other bump:1.43051 Ang CG(133) at 39.0789 15.504 20.6601 in (null):E-9999 (17) and OD2(160) at 40.0352 16.5194 20.3428 in (null):D-9999 (20) other bump:1.37088 Ang CD(134) at 39.3931 16.6918 21.5416 in (null):E-9999 (17) and OD2(160) at 40.0352 16.5194 20.3428 in (null):D-9999 (20) other bump:1.44835 Ang OE1(135) at 40.499 17.1766 21.5473 in (null):E-9999 (17) and OD2(160) at 40.0352 16.5194 20.3428 in (null):D-9999 (20) other bump:2.04274 Ang CB(132) at 38.1453 14.4778 21.3305 in (null):E-9999 (17) and OD1(159) at 39.8224 15.3179 22.1394 in (null):D-9999 (20) other bump:1.66603 Ang CG(133) at 39.0789 15.504 20.6601 in (null):E-9999 (17) and OD1(159) at 39.8224 15.3179 22.1394 in (null):D-9999 (20) other bump:1.55851 Ang CD(134) at 39.3931 16.6918 21.5416 in (null):E-9999 (17) and OD1(159) at 39.8224 15.3179 22.1394 in (null):D-9999 (20) other bump:2.23682 Ang OE2(136) at 38.379 17.0261 22.1863 in (null):E-9999 (17) and OD1(159) at 39.8224 15.3179 22.1394 in (null):D-9999 (20) other bump:2.06467 Ang OE1(135) at 40.499 17.1766 21.5473 in (null):E-9999 (17) and OD1(159) at 39.8224 15.3179 22.1394 in (null):D-9999 (20) other bump:2.71765 Ang CB(132) at 38.1453 14.4778 21.3305 in (null):E-9999 (17) and CG(158) at 40.5216 15.7925 21.2286 in (null):D-9999 (20) other bump:1.57726 Ang CG(133) at 39.0789 15.504 20.6601 in (null):E-9999 (17) and CG(158) at 40.5216 15.7925 21.2286 in (null):D-9999 (20) other bump:1.4765 Ang CD(134) at 39.3931 16.6918 21.5416 in (null):E-9999 (17) and CG(158) at 40.5216 15.7925 21.2286 in (null):D-9999 (20) other bump:1.42043 Ang OE1(135) at 40.499 17.1766 21.5473 in (null):E-9999 (17) and CG(158) at 40.5216 15.7925 21.2286 in (null):D-9999 (20) other bump:2.98936 Ang CG(133) at 39.0789 15.504 20.6601 in (null):E-9999 (17) and CB(157) at 42.0149 15.4987 21.222 in (null):D-9999 (20) other bump:2.89818 Ang CD(134) at 39.3931 16.6918 21.5416 in (null):E-9999 (17) and CB(157) at 42.0149 15.4987 21.222 in (null):D-9999 (20) other bump:2.28451 Ang OE1(135) at 40.499 17.1766 21.5473 in (null):E-9999 (17) and CB(157) at 42.0149 15.4987 21.222 in (null):D-9999 (20) other bump:2.44692 Ang O(38) at 23.172 23.064 12.468 in (null):L-9999 (4) and CD(86) at 23.3291 22.1084 14.7151 in (null):R-9999 (10) other bump:2.91035 Ang CA(33) at 24.95 21.48 12.381 in (null):L-9999 (4) and CD(86) at 23.3291 22.1084 14.7151 in (null):R-9999 (10) other bump:2.39615 Ang CB(34) at 25.151 20.868 13.775 in (null):L-9999 (4) and CD(86) at 23.3291 22.1084 14.7151 in (null):R-9999 (10) other bump:2.58263 Ang C(39) at 24.405 22.898 12.504 in (null):L-9999 (4) and CD(86) at 23.3291 22.1084 14.7151 in (null):R-9999 (10) T0147_twice 295 :HWHFINMRIWPRVVDGVGIL 2mnr 329 :TLTFEGGNAVIPDLPGVGII Fragment has 106 clashes (null) has 106 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.81663 Ang NE2(9) at 44.0109 26.9978 16.9587 in (null):H-9999 (1) and CD1(171) at 45.2555 26.6458 14.4566 in (null):L-9999 (20) other bump:2.97626 Ang CG2(133) at 39.3979 28.4148 12.7311 in (null):V-9999 (14) and CA(156) at 39.642 25.52 12.084 in (null):G-9999 (18) neighbor-bump: 2.37558 Ang CB(138) at 38.1613 30.8926 7.18513 in (null):D-9999 (15) and N(144) at 37.767 28.55 7.172 in (null):G-9999 (16) self-bump: 2.15528 Ang CB(138) at 38.1613 30.8926 7.18513 in (null):D-9999 (15) and C(143) at 38.628 28.992 8.088 in (null):D-9999 (15) self-bump: 1.27679 Ang CA(137) at 38.798 30.49 8.216 in (null):D-9999 (15) and CB(138) at 38.1613 30.8926 7.18513 in (null):D-9999 (15) other bump:1.74982 Ang C(11) at 38.811 25.16 18.916 in (null):H-9999 (1) and NH2(119) at 39.8635 24.0504 19.7663 in (null):R-9999 (12) other bump:1.84992 Ang N(12) at 38.229 23.947 18.906 in (null):W-9999 (2) and NH2(119) at 39.8635 24.0504 19.7663 in (null):R-9999 (12) other bump:1.39665 Ang N(2) at 40.985 24.059 18.934 in (null):H-9999 (1) and NH2(119) at 39.8635 24.0504 19.7663 in (null):R-9999 (12) other bump:1.73017 Ang CA(3) at 40.312 25.301 18.658 in (null):H-9999 (1) and NH2(119) at 39.8635 24.0504 19.7663 in (null):R-9999 (12) other bump:1.7547 Ang O(0) at 40.918 24.525 21.086 in (null):G-9999 (0) and NH2(119) at 39.8635 24.0504 19.7663 in (null):R-9999 (12) other bump:1.47716 Ang C(1) at 41.244 23.748 20.196 in (null):G-9999 (0) and NH2(119) at 39.8635 24.0504 19.7663 in (null):R-9999 (12) other bump:1.89156 Ang C(11) at 38.811 25.16 18.916 in (null):H-9999 (1) and NH1(118) at 38.9846 23.7594 17.6566 in (null):R-9999 (12) other bump:1.47215 Ang N(12) at 38.229 23.947 18.906 in (null):W-9999 (2) and NH1(118) at 38.9846 23.7594 17.6566 in (null):R-9999 (12) other bump:2.65354 Ang CA(13) at 36.812 23.771 19.18 in (null):W-9999 (2) and NH1(118) at 38.9846 23.7594 17.6566 in (null):R-9999 (12) other bump:2.39228 Ang N(2) at 40.985 24.059 18.934 in (null):H-9999 (1) and NH1(118) at 38.9846 23.7594 17.6566 in (null):R-9999 (12) other bump:2.26745 Ang CA(3) at 40.312 25.301 18.658 in (null):H-9999 (1) and NH1(118) at 38.9846 23.7594 17.6566 in (null):R-9999 (12) other bump:0.752222 Ang C(11) at 38.811 25.16 18.916 in (null):H-9999 (1) and CZ(117) at 39.1298 24.4992 18.7501 in (null):R-9999 (12) other bump:1.06801 Ang N(12) at 38.229 23.947 18.906 in (null):W-9999 (2) and CZ(117) at 39.1298 24.4992 18.7501 in (null):R-9999 (12) other bump:1.98079 Ang O(10) at 38.131 26.178 19.078 in (null):H-9999 (1) and CZ(117) at 39.1298 24.4992 18.7501 in (null):R-9999 (12) other bump:2.46724 Ang CA(13) at 36.812 23.771 19.18 in (null):W-9999 (2) and CZ(117) at 39.1298 24.4992 18.7501 in (null):R-9999 (12) other bump:3.19259 Ang C(25) at 36.714 23.719 20.686 in (null):W-9999 (2) and CZ(117) at 39.1298 24.4992 18.7501 in (null):R-9999 (12) other bump:1.91557 Ang N(2) at 40.985 24.059 18.934 in (null):H-9999 (1) and CZ(117) at 39.1298 24.4992 18.7501 in (null):R-9999 (12) other bump:1.43143 Ang CA(3) at 40.312 25.301 18.658 in (null):H-9999 (1) and CZ(117) at 39.1298 24.4992 18.7501 in (null):R-9999 (12) other bump:2.43505 Ang CB(4) at 40.5376 25.8084 17.2555 in (null):H-9999 (1) and CZ(117) at 39.1298 24.4992 18.7501 in (null):R-9999 (12) other bump:2.66925 Ang C(1) at 41.244 23.748 20.196 in (null):G-9999 (0) and CZ(117) at 39.1298 24.4992 18.7501 in (null):R-9999 (12) other bump:0.594265 Ang C(11) at 38.811 25.16 18.916 in (null):H-9999 (1) and NE(116) at 38.5568 25.6921 18.8427 in (null):R-9999 (12) other bump:1.77678 Ang N(12) at 38.229 23.947 18.906 in (null):W-9999 (2) and NE(116) at 38.5568 25.6921 18.8427 in (null):R-9999 (12) other bump:0.687567 Ang O(10) at 38.131 26.178 19.078 in (null):H-9999 (1) and NE(116) at 38.5568 25.6921 18.8427 in (null):R-9999 (12) other bump:2.61704 Ang CA(13) at 36.812 23.771 19.18 in (null):W-9999 (2) and NE(116) at 38.5568 25.6921 18.8427 in (null):R-9999 (12) other bump:2.92772 Ang N(2) at 40.985 24.059 18.934 in (null):H-9999 (1) and NE(116) at 38.5568 25.6921 18.8427 in (null):R-9999 (12) other bump:1.8077 Ang CA(3) at 40.312 25.301 18.658 in (null):H-9999 (1) and NE(116) at 38.5568 25.6921 18.8427 in (null):R-9999 (12) other bump:2.54089 Ang CB(4) at 40.5376 25.8084 17.2555 in (null):H-9999 (1) and NE(116) at 38.5568 25.6921 18.8427 in (null):R-9999 (12) other bump:1.92314 Ang C(11) at 38.811 25.16 18.916 in (null):H-9999 (1) and CD(115) at 37.7445 26.3097 17.8028 in (null):R-9999 (12) other bump:2.65218 Ang N(12) at 38.229 23.947 18.906 in (null):W-9999 (2) and CD(115) at 37.7445 26.3097 17.8028 in (null):R-9999 (12) other bump:1.33899 Ang O(10) at 38.131 26.178 19.078 in (null):H-9999 (1) and CD(115) at 37.7445 26.3097 17.8028 in (null):R-9999 (12) other bump:3.03497 Ang CA(13) at 36.812 23.771 19.18 in (null):W-9999 (2) and CD(115) at 37.7445 26.3097 17.8028 in (null):R-9999 (12) other bump:2.88809 Ang CA(3) at 40.312 25.301 18.658 in (null):H-9999 (1) and CD(115) at 37.7445 26.3097 17.8028 in (null):R-9999 (12) other bump:2.89005 Ang CB(4) at 40.5376 25.8084 17.2555 in (null):H-9999 (1) and CD(115) at 37.7445 26.3097 17.8028 in (null):R-9999 (12) other bump:2.92266 Ang C(11) at 38.811 25.16 18.916 in (null):H-9999 (1) and CG(114) at 38.3623 27.5947 17.3627 in (null):R-9999 (12) other bump:2.23671 Ang O(10) at 38.131 26.178 19.078 in (null):H-9999 (1) and CG(114) at 38.3623 27.5947 17.3627 in (null):R-9999 (12) other bump:2.81682 Ang CB(4) at 40.5376 25.8084 17.2555 in (null):H-9999 (1) and CG(114) at 38.3623 27.5947 17.3627 in (null):R-9999 (12) other bump:1.96788 Ang N(47) at 31.685 24.815 26.149 in (null):I-9999 (5) and CH2(101) at 30.3625 26.2708 26.0835 in (null):W-9999 (10) other bump:1.68259 Ang CA(48) at 31.422 25.697 27.258 in (null):I-9999 (5) and CH2(101) at 30.3625 26.2708 26.0835 in (null):W-9999 (10) other bump:1.69773 Ang O(53) at 29.12 25.479 26.927 in (null):I-9999 (5) and CH2(101) at 30.3625 26.2708 26.0835 in (null):W-9999 (10) other bump:1.9131 Ang C(54) at 30.037 25.358 27.733 in (null):I-9999 (5) and CH2(101) at 30.3625 26.2708 26.0835 in (null):W-9999 (10) other bump:3.22921 Ang N(55) at 29.835 24.964 28.989 in (null):N-9999 (6) and CH2(101) at 30.3625 26.2708 26.0835 in (null):W-9999 (10) other bump:1.73076 Ang CB(49) at 31.5957 27.1656 26.9046 in (null):I-9999 (5) and CH2(101) at 30.3625 26.2708 26.0835 in (null):W-9999 (10) other bump:2.78033 Ang CG2(51) at 31.1454 28.0551 28.0668 in (null):I-9999 (5) and CH2(101) at 30.3625 26.2708 26.0835 in (null):W-9999 (10) other bump:2.96728 Ang CG1(50) at 33.0418 27.4721 26.5117 in (null):I-9999 (5) and CH2(101) at 30.3625 26.2708 26.0835 in (null):W-9999 (10) other bump:1.20809 Ang N(47) at 31.685 24.815 26.149 in (null):I-9999 (5) and CZ3(100) at 31.1606 25.4475 25.2634 in (null):W-9999 (10) other bump:2.02711 Ang CA(48) at 31.422 25.697 27.258 in (null):I-9999 (5) and CZ3(100) at 31.1606 25.4475 25.2634 in (null):W-9999 (10) other bump:2.63299 Ang O(53) at 29.12 25.479 26.927 in (null):I-9999 (5) and CZ3(100) at 31.1606 25.4475 25.2634 in (null):W-9999 (10) other bump:2.2177 Ang O(80) at 30.125 24.035 23.903 in (null):R-9999 (8) and CZ3(100) at 31.1606 25.4475 25.2634 in (null):W-9999 (10) other bump:2.71469 Ang C(54) at 30.037 25.358 27.733 in (null):I-9999 (5) and CZ3(100) at 31.1606 25.4475 25.2634 in (null):W-9999 (10) other bump:2.41553 Ang CB(49) at 31.5957 27.1656 26.9046 in (null):I-9999 (5) and CZ3(100) at 31.1606 25.4475 25.2634 in (null):W-9999 (10) other bump:2.9243 Ang CA(37) at 32.927 23.146 24.897 in (null):F-9999 (4) and CZ3(100) at 31.1606 25.4475 25.2634 in (null):W-9999 (10) other bump:2.29198 Ang C(46) at 32.719 24.007 26.129 in (null):F-9999 (4) and CZ3(100) at 31.1606 25.4475 25.2634 in (null):W-9999 (10) other bump:3.15816 Ang CD2(30) at 34.0503 26.7181 25.1677 in (null):H-9999 (3) and CZ3(100) at 31.1606 25.4475 25.2634 in (null):W-9999 (10) other bump:3.03251 Ang CG1(50) at 33.0418 27.4721 26.5117 in (null):I-9999 (5) and CZ3(100) at 31.1606 25.4475 25.2634 in (null):W-9999 (10) other bump:2.80032 Ang CA(48) at 31.422 25.697 27.258 in (null):I-9999 (5) and CZ2(99) at 30.0045 27.5387 25.6958 in (null):W-9999 (10) other bump:2.55752 Ang O(53) at 29.12 25.479 26.927 in (null):I-9999 (5) and CZ2(99) at 30.0045 27.5387 25.6958 in (null):W-9999 (10) other bump:2.98447 Ang C(54) at 30.037 25.358 27.733 in (null):I-9999 (5) and CZ2(99) at 30.0045 27.5387 25.6958 in (null):W-9999 (10) other bump:2.03279 Ang CB(49) at 31.5957 27.1656 26.9046 in (null):I-9999 (5) and CZ2(99) at 30.0045 27.5387 25.6958 in (null):W-9999 (10) other bump:2.68146 Ang CG2(51) at 31.1454 28.0551 28.0668 in (null):I-9999 (5) and CZ2(99) at 30.0045 27.5387 25.6958 in (null):W-9999 (10) other bump:2.38556 Ang N(47) at 31.685 24.815 26.149 in (null):I-9999 (5) and CE3(97) at 31.6146 25.8946 24.0229 in (null):W-9999 (10) other bump:3.24689 Ang CA(48) at 31.422 25.697 27.258 in (null):I-9999 (5) and CE3(97) at 31.6146 25.8946 24.0229 in (null):W-9999 (10) other bump:2.3856 Ang O(80) at 30.125 24.035 23.903 in (null):R-9999 (8) and CE3(97) at 31.6146 25.8946 24.0229 in (null):W-9999 (10) other bump:3.16879 Ang CA(37) at 32.927 23.146 24.897 in (null):F-9999 (4) and CE3(97) at 31.6146 25.8946 24.0229 in (null):W-9999 (10) other bump:3.03621 Ang C(46) at 32.719 24.007 26.129 in (null):F-9999 (4) and CE3(97) at 31.6146 25.8946 24.0229 in (null):W-9999 (10) other bump:2.81456 Ang CD2(30) at 34.0503 26.7181 25.1677 in (null):H-9999 (3) and CE3(97) at 31.6146 25.8946 24.0229 in (null):W-9999 (10) other bump:3.27414 Ang CG1(50) at 33.0418 27.4721 26.5117 in (null):I-9999 (5) and CE3(97) at 31.6146 25.8946 24.0229 in (null):W-9999 (10) other bump:2.82468 Ang CB(49) at 31.5957 27.1656 26.9046 in (null):I-9999 (5) and CE2(96) at 30.4636 27.9882 24.4509 in (null):W-9999 (10) other bump:1.6435 Ang CZ2(21) at 31.8243 20.1837 19.3996 in (null):W-9999 (2) and CD1(87) at 30.2217 19.826 19.3321 in (null):I-9999 (9) other bump:2.90751 Ang CE2(18) at 32.7893 21.19 19.3154 in (null):W-9999 (2) and CD1(87) at 30.2217 19.826 19.3321 in (null):I-9999 (9) other bump:2.19876 Ang CH2(23) at 32.2042 18.9156 19.0577 in (null):W-9999 (2) and CD1(87) at 30.2217 19.826 19.3321 in (null):I-9999 (9) other bump:2.53572 Ang CZ2(21) at 31.8243 20.1837 19.3996 in (null):W-9999 (2) and CG2(86) at 31.4432 22.6585 19.0001 in (null):I-9999 (9) other bump:2.01696 Ang CE2(18) at 32.7893 21.19 19.3154 in (null):W-9999 (2) and CG2(86) at 31.4432 22.6585 19.0001 in (null):I-9999 (9) other bump:1.38701 Ang NE1(20) at 32.6914 22.5233 19.5895 in (null):W-9999 (2) and CG2(86) at 31.4432 22.6585 19.0001 in (null):I-9999 (9) other bump:2.52858 Ang CD1(16) at 33.9051 23.1125 19.3556 in (null):W-9999 (2) and CG2(86) at 31.4432 22.6585 19.0001 in (null):I-9999 (9) other bump:1.85156 Ang CZ2(21) at 31.8243 20.1837 19.3996 in (null):W-9999 (2) and CG1(85) at 30.4221 20.8359 20.4177 in (null):I-9999 (9) other bump:2.59641 Ang CE2(43) at 31.922 19.708 22.212 in (null):F-9999 (4) and CG1(85) at 30.4221 20.8359 20.4177 in (null):I-9999 (9) other bump:2.63518 Ang CE2(18) at 32.7893 21.19 19.3154 in (null):W-9999 (2) and CG1(85) at 30.4221 20.8359 20.4177 in (null):I-9999 (9) other bump:2.94668 Ang NE1(20) at 32.6914 22.5233 19.5895 in (null):W-9999 (2) and CG1(85) at 30.4221 20.8359 20.4177 in (null):I-9999 (9) other bump:2.9518 Ang CH2(23) at 32.2042 18.9156 19.0577 in (null):W-9999 (2) and CG1(85) at 30.4221 20.8359 20.4177 in (null):I-9999 (9) other bump:2.6418 Ang CZ2(21) at 31.8243 20.1837 19.3996 in (null):W-9999 (2) and CB(84) at 30.3286 22.2821 19.9814 in (null):I-9999 (9) other bump:2.77332 Ang CE2(18) at 32.7893 21.19 19.3154 in (null):W-9999 (2) and CB(84) at 30.3286 22.2821 19.9814 in (null):I-9999 (9) other bump:2.40719 Ang NE1(20) at 32.6914 22.5233 19.5895 in (null):W-9999 (2) and CB(84) at 30.3286 22.2821 19.9814 in (null):I-9999 (9) other bump:2.93303 Ang NE1(20) at 32.6914 22.5233 19.5895 in (null):W-9999 (2) and CA(83) at 30.377 23.255 21.236 in (null):I-9999 (9) neighbor-bump: 2.22096 Ang O(61) at 26.542 23.692 28.439 in (null):N-9999 (6) and CB(65) at 26.437 21.48 28.2691 in (null):M-9999 (7) neighbor-bump: 2.52946 Ang C(62) at 27.754 23.605 28.654 in (null):N-9999 (6) and CB(65) at 26.437 21.48 28.2691 in (null):M-9999 (7) other bump:2.54414 Ang NE2(33) at 34.1818 26.5954 26.53 in (null):H-9999 (3) and CD1(52) at 33.2476 28.9042 26.0108 in (null):I-9999 (5) other bump:2.47674 Ang CD2(30) at 34.0503 26.7181 25.1677 in (null):H-9999 (3) and CD1(52) at 33.2476 28.9042 26.0108 in (null):I-9999 (5) other bump:2.72668 Ang CE1(32) at 35.3509 26.0527 26.8085 in (null):H-9999 (3) and CG1(50) at 33.0418 27.4721 26.5117 in (null):I-9999 (5) other bump:1.43824 Ang NE2(33) at 34.1818 26.5954 26.53 in (null):H-9999 (3) and CG1(50) at 33.0418 27.4721 26.5117 in (null):I-9999 (5) other bump:1.84176 Ang CD2(30) at 34.0503 26.7181 25.1677 in (null):H-9999 (3) and CG1(50) at 33.0418 27.4721 26.5117 in (null):I-9999 (5) other bump:2.67459 Ang NE2(33) at 34.1818 26.5954 26.53 in (null):H-9999 (3) and CB(49) at 31.5957 27.1656 26.9046 in (null):I-9999 (5) other bump:3.0401 Ang CD2(30) at 34.0503 26.7181 25.1677 in (null):H-9999 (3) and CB(49) at 31.5957 27.1656 26.9046 in (null):I-9999 (5) other bump:2.99227 Ang NE2(33) at 34.1818 26.5954 26.53 in (null):H-9999 (3) and CA(48) at 31.422 25.697 27.258 in (null):I-9999 (5) neighbor-bump: 3.16959 Ang CD2(30) at 34.0503 26.7181 25.1677 in (null):H-9999 (3) and C(46) at 32.719 24.007 26.129 in (null):F-9999 (4) other bump:2.7217 Ang CZ2(21) at 31.8243 20.1837 19.3996 in (null):W-9999 (2) and CZ(44) at 33.137 19.396 21.65 in (null):F-9999 (4) other bump:3.38339 Ang CE3(19) at 34.482 19.6339 18.5546 in (null):W-9999 (2) and CZ(44) at 33.137 19.396 21.65 in (null):F-9999 (4) other bump:3.13318 Ang CZ3(22) at 33.5202 18.6291 18.6364 in (null):W-9999 (2) and CZ(44) at 33.137 19.396 21.65 in (null):F-9999 (4) other bump:2.9647 Ang CE2(18) at 32.7893 21.19 19.3154 in (null):W-9999 (2) and CZ(44) at 33.137 19.396 21.65 in (null):F-9999 (4) other bump:2.79658 Ang CH2(23) at 32.2042 18.9156 19.0577 in (null):W-9999 (2) and CZ(44) at 33.137 19.396 21.65 in (null):F-9999 (4) other bump:2.85398 Ang CZ2(21) at 31.8243 20.1837 19.3996 in (null):W-9999 (2) and CE2(43) at 31.922 19.708 22.212 in (null):F-9999 (4) other bump:3.26451 Ang CH2(23) at 32.2042 18.9156 19.0577 in (null):W-9999 (2) and CE2(43) at 31.922 19.708 22.212 in (null):F-9999 (4) T0147_twice 384 :IDVKAVAEAA 2mnr 349 :WREKEIGKYL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 8 total=98 Number of alignments=8 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1ezwA/T0147_twice-1ezwA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1ezwA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1ezwA/T0147_twice-1ezwA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # adding 1ezwA to template set 1ezwA:Skipped atom 232, because occupancy 0.4 <= existing 0.600001 Skipped atom 234, because occupancy 0.4 <= existing 0.600001 Skipped atom 236, because occupancy 0.4 <= existing 0.600001 Skipped atom 238, because occupancy 0.4 <= existing 0.600001 Skipped atom 240, because occupancy 0.4 <= existing 0.600001 Skipped atom 242, because occupancy 0.4 <= existing 0.600001 Skipped atom 244, because occupancy 0.4 <= existing 0.600001 Skipped atom 246, because occupancy 0.4 <= existing 0.600001 Skipped atom 248, because occupancy 0.4 <= existing 0.600001 Skipped atom 289, because occupancy 0.4 <= existing 0.600001 Skipped atom 291, because occupancy 0.4 <= existing 0.600001 Skipped atom 293, because occupancy 0.4 <= existing 0.600001 Skipped atom 295, because occupancy 0.4 <= existing 0.600001 Skipped atom 297, because occupancy 0.4 <= existing 0.600001 Skipped atom 299, because occupancy 0.4 <= existing 0.600001 Skipped atom 309, because occupancy 0.3 <= existing 0.700001 Skipped atom 311, because occupancy 0.3 <= existing 0.700001 Skipped atom 313, because occupancy 0.3 <= existing 0.700001 Skipped atom 315, because occupancy 0.3 <= existing 0.700001 Skipped atom 317, because occupancy 0.3 <= existing 0.700001 Skipped atom 319, because occupancy 0.3 <= existing 0.700001 Skipped atom 321, because occupancy 0.3 <= existing 0.700001 Skipped atom 323, because occupancy 0.3 <= existing 0.700001 Skipped atom 325, because occupancy 0.3 <= existing 0.700001 Skipped atom 327, because occupancy 0.3 <= existing 0.700001 Skipped atom 369, because occupancy 0.4 <= existing 0.600001 Skipped atom 371, because occupancy 0.4 <= existing 0.600001 Skipped atom 373, because occupancy 0.4 <= existing 0.600001 Skipped atom 375, because occupancy 0.4 <= existing 0.600001 Skipped atom 377, because occupancy 0.4 <= existing 0.600001 Skipped atom 379, because occupancy 0.4 <= existing 0.600001 Skipped atom 452, because occupancy 0.35 <= existing 0.650001 Skipped atom 454, because occupancy 0.35 <= existing 0.650001 Skipped atom 456, because occupancy 0.35 <= existing 0.650001 Skipped atom 458, because occupancy 0.35 <= existing 0.650001 Skipped atom 460, because occupancy 0.35 <= existing 0.650001 Skipped atom 462, because occupancy 0.35 <= existing 0.650001 Skipped atom 464, because occupancy 0.35 <= existing 0.650001 Skipped atom 466, because occupancy 0.35 <= existing 0.650001 Skipped atom 507, because occupancy 0.4 <= existing 0.600001 Skipped atom 509, because occupancy 0.4 <= existing 0.600001 Skipped atom 511, because occupancy 0.4 <= existing 0.600001 Skipped atom 513, because occupancy 0.4 <= existing 0.600001 Skipped atom 515, because occupancy 0.4 <= existing 0.600001 Skipped atom 517, because occupancy 0.4 <= existing 0.600001 Skipped atom 519, because occupancy 0.4 <= existing 0.600001 Skipped atom 521, because occupancy 0.4 <= existing 0.600001 Skipped atom 883, because occupancy 0.4 <= existing 0.600001 Skipped atom 885, because occupancy 0.4 <= existing 0.600001 Skipped atom 887, because occupancy 0.4 <= existing 0.600001 Skipped atom 889, because occupancy 0.4 <= existing 0.600001 Skipped atom 891, because occupancy 0.4 <= existing 0.600001 Skipped atom 893, because occupancy 0.4 <= existing 0.600001 Skipped atom 895, because occupancy 0.4 <= existing 0.600001 Skipped atom 927, because occupancy 0.5 <= existing 0.500001 Skipped atom 929, because occupancy 0.5 <= existing 0.500001 Skipped atom 931, because occupancy 0.5 <= existing 0.500001 Skipped atom 933, because occupancy 0.5 <= existing 0.500001 Skipped atom 935, because occupancy 0.5 <= existing 0.500001 Skipped atom 937, because occupancy 0.5 <= existing 0.500001 Skipped atom 939, because occupancy 0.5 <= existing 0.500001 Skipped atom 941, because occupancy 0.5 <= existing 0.500001 Skipped atom 1091, because occupancy 0.5 <= existing 0.500001 Skipped atom 1093, because occupancy 0.5 <= existing 0.500001 Skipped atom 1095, because occupancy 0.5 <= existing 0.500001 Skipped atom 1097, because occupancy 0.5 <= existing 0.500001 Skipped atom 1099, because occupancy 0.5 <= existing 0.500001 Skipped atom 1101, because occupancy 0.5 <= existing 0.500001 Skipped atom 1103, because occupancy 0.5 <= existing 0.500001 Skipped atom 1105, because occupancy 0.5 <= existing 0.500001 Skipped atom 1107, because occupancy 0.5 <= existing 0.500001 Skipped atom 1239, because occupancy 0.35 <= existing 0.650001 Skipped atom 1241, because occupancy 0.35 <= existing 0.650001 Skipped atom 1243, because occupancy 0.35 <= existing 0.650001 Skipped atom 1245, because occupancy 0.35 <= existing 0.650001 Skipped atom 1247, because occupancy 0.35 <= existing 0.650001 Skipped atom 1249, because occupancy 0.35 <= existing 0.650001 Skipped atom 1251, because occupancy 0.35 <= existing 0.650001 Skipped atom 1253, because occupancy 0.35 <= existing 0.650001 Skipped atom 1255, because occupancy 0.35 <= existing 0.650001 Skipped atom 1257, because occupancy 0.35 <= existing 0.650001 Skipped atom 1259, because occupancy 0.35 <= existing 0.650001 Skipped atom 1261, because occupancy 0.35 <= existing 0.650001 Skipped atom 1317, because occupancy 0.5 <= existing 0.500001 Skipped atom 1319, because occupancy 0.5 <= existing 0.500001 Skipped atom 1321, because occupancy 0.5 <= existing 0.500001 Skipped atom 1323, because occupancy 0.5 <= existing 0.500001 Skipped atom 1325, because occupancy 0.5 <= existing 0.500001 Skipped atom 1327, because occupancy 0.5 <= existing 0.500001 Skipped atom 1329, because occupancy 0.5 <= existing 0.500001 Skipped atom 1331, because occupancy 0.5 <= existing 0.500001 Skipped atom 1333, because occupancy 0.5 <= existing 0.500001 Skipped atom 1669, because occupancy 0.4 <= existing 0.600001 Skipped atom 1671, because occupancy 0.4 <= existing 0.600001 Skipped atom 1673, because occupancy 0.4 <= existing 0.600001 Skipped atom 1675, because occupancy 0.4 <= existing 0.600001 Skipped atom 1677, because occupancy 0.4 <= existing 0.600001 Skipped atom 1679, because occupancy 0.4 <= existing 0.600001 Skipped atom 1681, because occupancy 0.4 <= existing 0.600001 Skipped atom 1683, because occupancy 0.4 <= existing 0.600001 Skipped atom 1685, because occupancy 0.4 <= existing 0.600001 Skipped atom 1760, because occupancy 0.4 <= existing 0.600001 Skipped atom 1762, because occupancy 0.4 <= existing 0.600001 Skipped atom 1764, because occupancy 0.4 <= existing 0.600001 Skipped atom 1766, because occupancy 0.4 <= existing 0.600001 Skipped atom 1768, because occupancy 0.4 <= existing 0.600001 Skipped atom 1770, because occupancy 0.4 <= existing 0.600001 Skipped atom 2335, because occupancy 0.3 <= existing 0.700001 Skipped atom 2337, because occupancy 0.3 <= existing 0.700001 Skipped atom 2339, because occupancy 0.3 <= existing 0.700001 Skipped atom 2341, because occupancy 0.3 <= existing 0.700001 Skipped atom 2343, because occupancy 0.3 <= existing 0.700001 Skipped atom 2345, because occupancy 0.3 <= existing 0.700001 Skipped atom 2347, because occupancy 0.3 <= existing 0.700001 Skipped atom 2349, because occupancy 0.3 <= existing 0.700001 Skipped atom 2351, because occupancy 0.3 <= existing 0.700001 # found chain 1ezwA in template set T0147_twice 3 :PVDL 1ezwA 3 :EVSF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 14 :THAYSTLSDYIAQAKQKGIKLFAITDHGPDMEDAPHHW 1ezwA 13 :DDKPTKIAHLIKVAEDNGFEYAWICDHYNNYSYMGVLT Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.0445 Ang CB(184) at -16.622 26.902 24.779 in (null):I-9999 (24) and NE2(288) at -15.9318 28.8014 25.0887 in (null):H-9999 (37) other bump:2.51886 Ang CG1(185) at -16.5 26.665 26.296 in (null):I-9999 (24) and NE2(288) at -15.9318 28.8014 25.0887 in (null):H-9999 (37) other bump:3.10793 Ang CB(184) at -16.622 26.902 24.779 in (null):I-9999 (24) and CE1(287) at -14.8648 29.3045 25.6732 in (null):H-9999 (37) other bump:2.80986 Ang CB(184) at -16.622 26.902 24.779 in (null):I-9999 (24) and CD2(285) at -17.0173 29.6247 25.3497 in (null):H-9999 (37) other bump:2.83093 Ang CD1(187) at -16.964 25.229 26.672 in (null):I-9999 (24) and NE2(278) at -18.7624 26.2834 28.5873 in (null):H-9999 (36) other bump:2.29143 Ang CB(51) at -20.5364 24.1059 30.155 in (null):L-9999 (7) and CE1(277) at -19.8419 26.1299 29.3354 in (null):H-9999 (36) other bump:2.81901 Ang CG(52) at -20.2152 23.3811 28.8339 in (null):L-9999 (7) and CE1(277) at -19.8419 26.1299 29.3354 in (null):H-9999 (36) other bump:2.89229 Ang CG1(185) at -16.5 26.665 26.296 in (null):I-9999 (24) and CD2(275) at -19.0389 27.1808 27.5817 in (null):H-9999 (36) other bump:2.99042 Ang CD1(187) at -16.964 25.229 26.672 in (null):I-9999 (24) and CD2(275) at -19.0389 27.1808 27.5817 in (null):H-9999 (36) other bump:2.94997 Ang CB(244) at -24.281 31.0461 21.5992 in (null):E-9999 (32) and CD(268) at -23.328 32.702 23.8469 in (null):P-9999 (35) other bump:3.15616 Ang C(250) at -22.39 29.896 22.748 in (null):E-9999 (32) and CD(268) at -23.328 32.702 23.8469 in (null):P-9999 (35) other bump:2.9234 Ang CG(245) at -23.3546 32.093 20.9877 in (null):E-9999 (32) and CD(268) at -23.328 32.702 23.8469 in (null):P-9999 (35) other bump:2.66862 Ang CA(198) at -18.717 26.914 18.249 in (null):D-9999 (26) and OD2(256) at -17.9115 28.6431 20.1152 in (null):D-9999 (33) other bump:2.46718 Ang CB(199) at -17.972 28.168 17.695 in (null):D-9999 (26) and OD2(256) at -17.9115 28.6431 20.1152 in (null):D-9999 (33) other bump:1.92743 Ang O(195) at -18.63 26.083 20.899 in (null):T-9999 (25) and OD1(255) at -19.3608 27.754 21.5224 in (null):D-9999 (33) other bump:2.54637 Ang OH(33) at -26.0482 27.8077 24.5133 in (null):Y-9999 (4) and C(241) at -24.335 27.517 22.652 in (null):M-9999 (31) other bump:1.60085 Ang O(17) at -25.27 22.598 28.19 in (null):H-9999 (2) and CE(239) at -25.5249 23.8953 27.2873 in (null):M-9999 (31) other bump:2.7997 Ang C(18) at -25.476 21.547 28.811 in (null):H-9999 (2) and CE(239) at -25.5249 23.8953 27.2873 in (null):M-9999 (31) other bump:2.22527 Ang CE1(30) at -26.8562 27.4356 26.7248 in (null):Y-9999 (4) and SD(238) at -25.6663 25.6382 27.2774 in (null):M-9999 (31) other bump:2.68615 Ang CE2(31) at -24.521 27.8867 26.3565 in (null):Y-9999 (4) and SD(238) at -25.6663 25.6382 27.2774 in (null):M-9999 (31) other bump:2.50685 Ang CZ(32) at -25.806 27.7056 25.8664 in (null):Y-9999 (4) and SD(238) at -25.6663 25.6382 27.2774 in (null):M-9999 (31) other bump:2.33702 Ang CG(27) at -25.339 27.5276 28.6134 in (null):Y-9999 (4) and SD(238) at -25.6663 25.6382 27.2774 in (null):M-9999 (31) other bump:2.11769 Ang CD1(28) at -26.6173 27.3438 28.0966 in (null):Y-9999 (4) and SD(238) at -25.6663 25.6382 27.2774 in (null):M-9999 (31) other bump:2.59965 Ang CD2(29) at -24.2958 27.802 27.7225 in (null):Y-9999 (4) and SD(238) at -25.6663 25.6382 27.2774 in (null):M-9999 (31) other bump:2.00813 Ang CE1(30) at -26.8562 27.4356 26.7248 in (null):Y-9999 (4) and CG(237) at -26.2134 25.9148 25.5818 in (null):M-9999 (31) other bump:2.71163 Ang CE2(31) at -24.521 27.8867 26.3565 in (null):Y-9999 (4) and CG(237) at -26.2134 25.9148 25.5818 in (null):M-9999 (31) other bump:1.85848 Ang CZ(32) at -25.806 27.7056 25.8664 in (null):Y-9999 (4) and CG(237) at -26.2134 25.9148 25.5818 in (null):M-9999 (31) other bump:2.17999 Ang OH(33) at -26.0482 27.8077 24.5133 in (null):Y-9999 (4) and CG(237) at -26.2134 25.9148 25.5818 in (null):M-9999 (31) other bump:2.80191 Ang CE1(30) at -26.8562 27.4356 26.7248 in (null):Y-9999 (4) and CB(236) at -25.1035 26.5183 24.7405 in (null):M-9999 (31) other bump:2.19622 Ang CE2(31) at -24.521 27.8867 26.3565 in (null):Y-9999 (4) and CB(236) at -25.1035 26.5183 24.7405 in (null):M-9999 (31) other bump:1.78063 Ang CZ(32) at -25.806 27.7056 25.8664 in (null):Y-9999 (4) and CB(236) at -25.1035 26.5183 24.7405 in (null):M-9999 (31) other bump:1.61454 Ang OH(33) at -26.0482 27.8077 24.5133 in (null):Y-9999 (4) and CB(236) at -25.1035 26.5183 24.7405 in (null):M-9999 (31) other bump:2.86153 Ang CZ(32) at -25.806 27.7056 25.8664 in (null):Y-9999 (4) and CA(235) at -25.481 26.654 23.225 in (null):M-9999 (31) other bump:1.82002 Ang OH(33) at -26.0482 27.8077 24.5133 in (null):Y-9999 (4) and CA(235) at -25.481 26.654 23.225 in (null):M-9999 (31) other bump:2.60836 Ang CG2(5) at -23.9687 19.5307 22.4011 in (null):T-9999 (1) and OD1(230) at -23.8603 21.4021 20.5874 in (null):D-9999 (30) neighbor-bump: 2.62991 Ang N(215) at -23.701 25.915 15.79 in (null):G-9999 (28) and CD(223) at -24.8372 23.5442 15.7222 in (null):P-9999 (29) other bump:2.90287 Ang C(214) at -22.982 25.478 16.838 in (null):H-9999 (27) and CD(223) at -24.8372 23.5442 15.7222 in (null):P-9999 (29) other bump:1.98906 Ang CB(107) at -10.79 22.685 34.253 in (null):A-9999 (14) and CZ(174) at -10.8091 24.2957 33.0861 in (null):F-9999 (22) other bump:3.21415 Ang CA(106) at -10.567 22.547 35.772 in (null):A-9999 (14) and CZ(174) at -10.8091 24.2957 33.0861 in (null):F-9999 (22) other bump:2.55371 Ang CB(107) at -10.79 22.685 34.253 in (null):A-9999 (14) and CE1(172) at -11.576 23.7422 32.0653 in (null):F-9999 (22) other bump:2.63406 Ang CB(107) at -10.79 22.685 34.253 in (null):A-9999 (14) and CD1(146) at -8.7524 21.2657 33.3744 in (null):I-9999 (19) other bump:2.63618 Ang CG2(45) at -22.4786 20.0417 33.9494 in (null):T-9999 (6) and CE1(77) at -20.0974 19.0024 34.3958 in (null):Y-9999 (10) T0147_twice 58 :IWPRVVDGVGILRGI 1ezwA 51 :LAAVITSKIKLGPGI Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 1.94656 Ang O(85) at -11.254 32.855 26.227 in (null):I-9999 (11) and CD2(92) at -10.5181 33.8263 24.709 in (null):L-9999 (12) neighbor-bump: 2.69349 Ang C(86) at -11.531 31.711 26.551 in (null):I-9999 (11) and CG(90) at -9.93128 32.4434 24.5115 in (null):L-9999 (12) neighbor-bump: 2.20497 Ang O(85) at -11.254 32.855 26.227 in (null):I-9999 (11) and CG(90) at -9.93128 32.4434 24.5115 in (null):L-9999 (12) other bump:2.72506 Ang CD2(15) at -14.615 29.5707 31.7357 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:1.77714 Ang CE3(17) at -14.0385 30.5596 30.9279 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:0.416625 Ang CZ3(20) at -12.6502 30.6645 30.8817 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:1.23513 Ang CH2(21) at -11.832 29.798 31.6292 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:2.92755 Ang CE2(16) at -13.7625 28.7133 32.4754 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:2.41174 Ang CZ2(19) at -12.3684 28.819 32.4288 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:2.82017 Ang CE3(17) at -14.0385 30.5596 30.9279 in (null):W-9999 (2) and CG2(83) at -13.8613 31.645 28.331 in (null):I-9999 (11) other bump:2.98899 Ang CZ3(20) at -12.6502 30.6645 30.8817 in (null):W-9999 (2) and CG2(83) at -13.8613 31.645 28.331 in (null):I-9999 (11) other bump:2.31904 Ang CE3(17) at -14.0385 30.5596 30.9279 in (null):W-9999 (2) and CG1(82) at -12.3311 31.9932 30.2894 in (null):I-9999 (11) other bump:1.48932 Ang CZ3(20) at -12.6502 30.6645 30.8817 in (null):W-9999 (2) and CG1(82) at -12.3311 31.9932 30.2894 in (null):I-9999 (11) other bump:2.61982 Ang CH2(21) at -11.832 29.798 31.6292 in (null):W-9999 (2) and CG1(82) at -12.3311 31.9932 30.2894 in (null):I-9999 (11) other bump:3.09037 Ang CE3(17) at -14.0385 30.5596 30.9279 in (null):W-9999 (2) and CB(81) at -12.4803 32.1205 28.7631 in (null):I-9999 (11) other bump:2.57624 Ang CZ3(20) at -12.6502 30.6645 30.8817 in (null):W-9999 (2) and CB(81) at -12.4803 32.1205 28.7631 in (null):I-9999 (11) other bump:3.22108 Ang CZ3(20) at -12.6502 30.6645 30.8817 in (null):W-9999 (2) and CA(80) at -11.353 31.297 28.002 in (null):I-9999 (11) other bump:2.16819 Ang CH2(21) at -11.832 29.798 31.6292 in (null):W-9999 (2) and CG2(72) at -10.679 29.254 33.383 in (null):V-9999 (9) other bump:1.9884 Ang CZ2(19) at -12.3684 28.819 32.4288 in (null):W-9999 (2) and CG2(72) at -10.679 29.254 33.383 in (null):V-9999 (9) other bump:2.98818 Ang NE1(18) at -14.5582 27.8454 33.1744 in (null):W-9999 (2) and CG2(53) at -14.3553 30.1462 35.0703 in (null):V-9999 (6) other bump:3.02289 Ang CE2(16) at -13.7625 28.7133 32.4754 in (null):W-9999 (2) and CG2(53) at -14.3553 30.1462 35.0703 in (null):V-9999 (6) other bump:2.77117 Ang C(1) at -19.951 34.208 30.857 in (null):G-9999 (0) and CD(28) at -17.4494 33.0471 31.1287 in (null):P-9999 (3) neighbor-bump: 2.62368 Ang N(10) at -19.15 31.267 32.036 in (null):W-9999 (2) and CD(28) at -17.4494 33.0471 31.1287 in (null):P-9999 (3) T0147_twice 76 :IKN 1ezwA 66 :TNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 105 :FAPHDK 1ezwA 69 :YTRHPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0147_twice 111 :ATNTQAMIATIASGN 1ezwA 205 :VAVPKIEEGAKEAGR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.78127 Ang CG2(67) at 8.33206 30.0036 13.8805 in (null):T-9999 (10) and C(101) at 10.549 31.543 14.552 in (null):N-9999 (15) other bump:2.61452 Ang CG2(67) at 8.33206 30.0036 13.8805 in (null):T-9999 (10) and O(100) at 10.84 30.718 13.692 in (null):N-9999 (15) other bump:2.06849 Ang OG(87) at 6.74397 33.3258 11.0448 in (null):S-9999 (13) and ND2(98) at 6.96115 34.131 12.9377 in (null):N-9999 (15) other bump:2.72595 Ang CG2(67) at 8.33206 30.0036 13.8805 in (null):T-9999 (10) and CB(96) at 8.39035 32.703 14.2558 in (null):N-9999 (15) T0147_twice 126 :VHIISH 1ezwA 224 :IDVAAY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues self-bump: 1.38952 Ang CA(42) at -7.037 18.623 20.96 in (null):H-9999 (6) and CB(43) at -7.9174 19.5769 20.4643 in (null):H-9999 (6) other bump:2.70338 Ang CD2(13) at -0.818977 25.8443 23.5694 in (null):H-9999 (2) and CD1(32) at -3.36466 25.6137 22.6893 in (null):I-9999 (4) other bump:2.38845 Ang CD2(13) at -0.818977 25.8443 23.5694 in (null):H-9999 (2) and CG1(30) at -2.4263 24.4717 22.4571 in (null):I-9999 (4) other bump:2.64626 Ang NE2(16) at -0.820198 24.8566 24.5247 in (null):H-9999 (2) and CG1(30) at -2.4263 24.4717 22.4571 in (null):I-9999 (4) T0147_twice 153 :VALEINNSS 1ezwA 230 :TCFSIDKDE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01912 Ang CG1(5) at -6.56736 13.2367 24.0066 in (null):V-9999 (1) and C(13) at -9.246 11.848 24.113 in (null):A-9999 (2) neighbor-bump: 2.62454 Ang CG1(5) at -6.56736 13.2367 24.0066 in (null):V-9999 (1) and O(12) at -8.196 11.179 24.044 in (null):A-9999 (2) T0147_twice 168 :GSEDNCREVAAAVRDAGGW 1ezwA 239 :DKAIEATKIVVAFIVMGSP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0147_twice 206 :LKILDAVDFPPERI 1ezwA 258 :DVVLERHGIDTEKA Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues self-bump: 1.35172 Ang N(81) at -8.311 -1.227 8.139 in (null):P-9999 (11) and CD(85) at -6.96938 -1.27875 7.9824 in (null):P-9999 (11) other bump:1.83805 Ang O(72) at -6.058 -0.249 9.202 in (null):F-9999 (9) and CD(85) at -6.96938 -1.27875 7.9824 in (null):P-9999 (11) other bump:2.71054 Ang C(73) at -6.23 -0.334 10.413 in (null):F-9999 (9) and CD(85) at -6.96938 -1.27875 7.9824 in (null):P-9999 (11) self-bump: 2.20525 Ang N(81) at -8.311 -1.227 8.139 in (null):P-9999 (11) and CG(84) at -6.79428 -0.354868 6.79659 in (null):P-9999 (11) other bump:2.5178 Ang O(72) at -6.058 -0.249 9.202 in (null):F-9999 (9) and CG(84) at -6.79428 -0.354868 6.79659 in (null):P-9999 (11) self-bump: 1.37945 Ang CA(75) at -7.666 -2.31 10.219 in (null):P-9999 (10) and CB(76) at -7.70866 -3.52125 10.8777 in (null):P-9999 (10) other bump:1.44664 Ang CG1(51) at -3.8385 4.43688 14.2095 in (null):V-9999 (7) and CZ(71) at -5.20611 4.90258 14.2841 in (null):F-9999 (9) other bump:2.43548 Ang CB(50) at -3.11978 5.08635 13.0411 in (null):V-9999 (7) and CZ(71) at -5.20611 4.90258 14.2841 in (null):F-9999 (9) other bump:1.64753 Ang CG1(51) at -3.8385 4.43688 14.2095 in (null):V-9999 (7) and CE2(70) at -4.77314 4.95508 12.9556 in (null):F-9999 (9) other bump:3.18199 Ang CA(49) at -1.698 4.202 12.637 in (null):V-9999 (7) and CE2(70) at -4.77314 4.95508 12.9556 in (null):F-9999 (9) other bump:1.66077 Ang CB(50) at -3.11978 5.08635 13.0411 in (null):V-9999 (7) and CE2(70) at -4.77314 4.95508 12.9556 in (null):F-9999 (9) other bump:2.63985 Ang CG2(52) at -2.69258 6.51343 13.4156 in (null):V-9999 (7) and CE2(70) at -4.77314 4.95508 12.9556 in (null):F-9999 (9) other bump:2.34661 Ang CG1(51) at -3.8385 4.43688 14.2095 in (null):V-9999 (7) and CE1(69) at -6.07111 3.88924 14.6808 in (null):F-9999 (9) other bump:3.22572 Ang CA(28) at -5.58 5.204 9.068 in (null):L-9999 (4) and CD2(68) at -5.21057 3.99512 12.0357 in (null):F-9999 (9) other bump:2.60824 Ang CG1(51) at -3.8385 4.43688 14.2095 in (null):V-9999 (7) and CD2(68) at -5.21057 3.99512 12.0357 in (null):F-9999 (9) other bump:2.56378 Ang CB(50) at -3.11978 5.08635 13.0411 in (null):V-9999 (7) and CD2(68) at -5.21057 3.99512 12.0357 in (null):F-9999 (9) T0147_twice 254 :HTVASTHAYSTLSDYIAQAKQKGIKLFAITDHG 1ezwA 272 :EQIAEAIGKGDFGTAIGLVDEDMIEAFSIAGDP Fragment has 46 clashes (null) has 46 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.76594 Ang CD2(244) at -3.2245 5.00237 37.4117 in (null):H-9999 (32) and N(250) at -3.947 6.998 35.638 in (null):G-9999 (33) neighbor-bump: 2.52118 Ang O(230) at -5.238 4.947 28.332 in (null):T-9999 (30) and CG(235) at -3.84922 5.88633 30.2149 in (null):D-9999 (31) neighbor-bump: 2.78687 Ang C(231) at -6.172 5.679 28.689 in (null):T-9999 (30) and CG(235) at -3.84922 5.88633 30.2149 in (null):D-9999 (31) neighbor-bump: 2.23636 Ang O(230) at -5.238 4.947 28.332 in (null):T-9999 (30) and CB(234) at -4.58846 4.58087 30.4404 in (null):D-9999 (31) neighbor-bump: 2.60402 Ang C(231) at -6.172 5.679 28.689 in (null):T-9999 (30) and CB(234) at -4.58846 4.58087 30.4404 in (null):D-9999 (31) neighbor-bump: 3.08359 Ang CG(196) at -4.37275 6.18501 15.2014 in (null):L-9999 (26) and CZ(209) at -6.952 6.762 13.613 in (null):F-9999 (27) neighbor-bump: 2.26359 Ang CD2(198) at -5.074 5.5594 14.0012 in (null):L-9999 (26) and CZ(209) at -6.952 6.762 13.613 in (null):F-9999 (27) neighbor-bump: 3.06524 Ang CG(196) at -4.37275 6.18501 15.2014 in (null):L-9999 (26) and CE2(208) at -6.592 8.009 14.132 in (null):F-9999 (27) neighbor-bump: 2.88478 Ang CD2(198) at -5.074 5.5594 14.0012 in (null):L-9999 (26) and CE2(208) at -6.592 8.009 14.132 in (null):F-9999 (27) neighbor-bump: 2.68709 Ang CD2(198) at -5.074 5.5594 14.0012 in (null):L-9999 (26) and CE1(207) at -7.714 5.887 14.38 in (null):F-9999 (27) other bump:2.34482 Ang NE2(51) at -18.5502 4.89667 14.478 in (null):H-9999 (7) and OH(115) at -16.4028 5.83818 14.4655 in (null):Y-9999 (15) other bump:2.56846 Ang CG2(23) at -16.715 3.023 13.243 in (null):V-9999 (3) and CZ(114) at -17.327 4.91201 14.8721 in (null):Y-9999 (15) other bump:2.48569 Ang CD2(48) at -19.2054 4.56105 13.2824 in (null):H-9999 (7) and CZ(114) at -17.327 4.91201 14.8721 in (null):Y-9999 (15) other bump:3.25788 Ang ND1(49) at -20.1432 6.35636 14.1 in (null):H-9999 (7) and CZ(114) at -17.327 4.91201 14.8721 in (null):Y-9999 (15) other bump:2.11959 Ang CE1(50) at -19.1555 5.98271 14.9237 in (null):H-9999 (7) and CZ(114) at -17.327 4.91201 14.8721 in (null):Y-9999 (15) other bump:1.28528 Ang NE2(51) at -18.5502 4.89667 14.478 in (null):H-9999 (7) and CZ(114) at -17.327 4.91201 14.8721 in (null):Y-9999 (15) other bump:2.1994 Ang CG2(23) at -16.715 3.023 13.243 in (null):V-9999 (3) and CE2(113) at -18.2559 4.41824 13.9615 in (null):Y-9999 (15) other bump:2.38478 Ang CG(47) at -20.1931 5.46661 13.0475 in (null):H-9999 (7) and CE2(113) at -18.2559 4.41824 13.9615 in (null):Y-9999 (15) other bump:1.17602 Ang CD2(48) at -19.2054 4.56105 13.2824 in (null):H-9999 (7) and CE2(113) at -18.2559 4.41824 13.9615 in (null):Y-9999 (15) other bump:2.70879 Ang ND1(49) at -20.1432 6.35636 14.1 in (null):H-9999 (7) and CE2(113) at -18.2559 4.41824 13.9615 in (null):Y-9999 (15) other bump:2.04517 Ang CE1(50) at -19.1555 5.98271 14.9237 in (null):H-9999 (7) and CE2(113) at -18.2559 4.41824 13.9615 in (null):Y-9999 (15) other bump:0.763074 Ang NE2(51) at -18.5502 4.89667 14.478 in (null):H-9999 (7) and CE2(113) at -18.2559 4.41824 13.9615 in (null):Y-9999 (15) other bump:2.68875 Ang CE1(50) at -19.1555 5.98271 14.9237 in (null):H-9999 (7) and CE1(112) at -17.3215 4.4727 16.1829 in (null):Y-9999 (15) other bump:2.1439 Ang NE2(51) at -18.5502 4.89667 14.478 in (null):H-9999 (7) and CE1(112) at -17.3215 4.4727 16.1829 in (null):Y-9999 (15) other bump:2.7605 Ang CG2(23) at -16.715 3.023 13.243 in (null):V-9999 (3) and CD2(111) at -19.1876 3.47932 14.3824 in (null):Y-9999 (15) other bump:2.59656 Ang CG(47) at -20.1931 5.46661 13.0475 in (null):H-9999 (7) and CD2(111) at -19.1876 3.47932 14.3824 in (null):Y-9999 (15) other bump:1.54284 Ang CD2(48) at -19.2054 4.56105 13.2824 in (null):H-9999 (7) and CD2(111) at -19.1876 3.47932 14.3824 in (null):Y-9999 (15) other bump:1.55702 Ang NE2(51) at -18.5502 4.89667 14.478 in (null):H-9999 (7) and CD2(111) at -19.1876 3.47932 14.3824 in (null):Y-9999 (15) other bump:2.5324 Ang NE2(51) at -18.5502 4.89667 14.478 in (null):H-9999 (7) and CD1(110) at -18.255 3.53664 16.5937 in (null):Y-9999 (15) other bump:2.33046 Ang NE2(51) at -18.5502 4.89667 14.478 in (null):H-9999 (7) and CG(109) at -19.2003 3.02356 15.7027 in (null):Y-9999 (15) other bump:2.92113 Ang CG2(40) at -22.4814 0.311152 14.1595 in (null):T-9999 (6) and N(106) at -20.807 -0.343 16.462 in (null):Y-9999 (15) other bump:3.16529 Ang CG2(40) at -22.4814 0.311152 14.1595 in (null):T-9999 (6) and C(83) at -24.829 1.643 15.813 in (null):T-9999 (11) other bump:1.96727 Ang CG2(40) at -22.4814 0.311152 14.1595 in (null):T-9999 (6) and O(82) at -23.807 1.096 15.383 in (null):T-9999 (11) other bump:3.01639 Ang CG2(40) at -22.4814 0.311152 14.1595 in (null):T-9999 (6) and OG1(81) at -25.2896 0.546168 13.0837 in (null):T-9999 (11) other bump:2.97349 Ang CA(32) at -21.56 1.854 8.225 in (null):S-9999 (5) and CE2(66) at -24.2559 1.98432 6.97724 in (null):Y-9999 (9) other bump:2.44424 Ang O(35) at -23.685 1.71 9.338 in (null):S-9999 (5) and CE2(66) at -24.2559 1.98432 6.97724 in (null):Y-9999 (9) other bump:3.06452 Ang C(36) at -22.459 1.608 9.431 in (null):S-9999 (5) and CE2(66) at -24.2559 1.98432 6.97724 in (null):Y-9999 (9) other bump:3.18519 Ang CA(32) at -21.56 1.854 8.225 in (null):S-9999 (5) and CD2(64) at -24.7356 2.096 8.27464 in (null):Y-9999 (9) other bump:1.54385 Ang O(35) at -23.685 1.71 9.338 in (null):S-9999 (5) and CD2(64) at -24.7356 2.096 8.27464 in (null):Y-9999 (9) other bump:2.59965 Ang C(36) at -22.459 1.608 9.431 in (null):S-9999 (5) and CD2(64) at -24.7356 2.096 8.27464 in (null):Y-9999 (9) other bump:2.46919 Ang O(29) at -20.986 4.526 8.814 in (null):A-9999 (4) and O(52) at -23.148 4.693 9.995 in (null):H-9999 (7) other bump:2.35894 Ang O(24) at -19.45 2.775 11.761 in (null):V-9999 (3) and CD2(48) at -19.2054 4.56105 13.2824 in (null):H-9999 (7) other bump:3.12675 Ang C(25) at -18.444 2.391 11.164 in (null):V-9999 (3) and CD2(48) at -19.2054 4.56105 13.2824 in (null):H-9999 (7) other bump:2.9273 Ang CG2(23) at -16.715 3.023 13.243 in (null):V-9999 (3) and CD2(48) at -19.2054 4.56105 13.2824 in (null):H-9999 (7) other bump:3.2214 Ang CA(3) at -15.816 2.252 7.464 in (null):H-9999 (1) and CB(28) at -17.891 4.595 8.227 in (null):A-9999 (4) other bump:3.10236 Ang C(11) at -16.904 1.21 7.709 in (null):H-9999 (1) and N(26) at -18.015 2.943 10.03 in (null):A-9999 (4) T0147_twice 383 :EIDVKAVAEAAAKHQVALEIN 1ezwA 305 :DTVVDKIEELLKAGVTQVVVG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.61438 Ang NE2(109) at -0.555627 20.2116 22.8682 in (null):Q-9999 (15) and C(123) at -1.368 20.94 25.244 in (null):A-9999 (17) other bump:2.77705 Ang CD(107) at -0.0987195 19.0238 22.4465 in (null):Q-9999 (15) and O(122) at -1.672 20.59 24.115 in (null):A-9999 (17) T0147_twice 442 :FTMG 1ezwA 326 :SPIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 467 :VSPRRLLNFLES 1ezwA 330 :PDKEKAIELVGQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.95104 Ang N(2) at -15.033 8.676 32.49 in (null):V-9999 (1) and CD1(48) at -13.3597 11.0965 32.7137 in (null):L-9999 (6) other bump:2.10808 Ang C(1) at -14.864 9.862 31.903 in (null):G-9999 (0) and CD1(48) at -13.3597 11.0965 32.7137 in (null):L-9999 (6) T0147_twice 483 :PIAEFA 1ezwA 342 :EVIPHF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.0598 Ang O(7) at -0.671 11.827 37.774 in (null):P-9999 (1) and CE2(38) at 1.03027 12.3998 38.7841 in (null):F-9999 (5) other bump:2.58444 Ang C(8) at -1.452 12.747 38.154 in (null):P-9999 (1) and CE2(38) at 1.03027 12.3998 38.7841 in (null):F-9999 (5) other bump:3.14636 Ang C(8) at -1.452 12.747 38.154 in (null):P-9999 (1) and CD2(36) at 1.64609 13.1453 37.7761 in (null):F-9999 (5) Number of specific fragments= 15 total=113 Number of alignments=9 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1ezwA/T0147_twice-1ezwA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1ezwA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1ezwA/T0147_twice-1ezwA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1ezwA in template set T0147_twice 3 :PVDL 1ezwA 3 :EVSF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 12 :ASTHAYSTLSDYIAQAKQKGIKLFAITDHGPDMEDAPHHW 1ezwA 11 :LPDDKPTKIAHLIKVAEDNGFEYAWICDHYNNYSYMGVLT Fragment has 43 clashes (null) has 43 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.0445 Ang CB(195) at -16.622 26.902 24.779 in (null):I-9999 (26) and NE2(299) at -15.9318 28.8014 25.0887 in (null):H-9999 (39) other bump:2.51886 Ang CG1(196) at -16.5 26.665 26.296 in (null):I-9999 (26) and NE2(299) at -15.9318 28.8014 25.0887 in (null):H-9999 (39) other bump:3.10793 Ang CB(195) at -16.622 26.902 24.779 in (null):I-9999 (26) and CE1(298) at -14.8648 29.3045 25.6732 in (null):H-9999 (39) other bump:2.80986 Ang CB(195) at -16.622 26.902 24.779 in (null):I-9999 (26) and CD2(296) at -17.0173 29.6247 25.3497 in (null):H-9999 (39) other bump:2.83093 Ang CD1(198) at -16.964 25.229 26.672 in (null):I-9999 (26) and NE2(289) at -18.7624 26.2834 28.5873 in (null):H-9999 (38) other bump:2.29143 Ang CB(62) at -20.5364 24.1059 30.155 in (null):L-9999 (9) and CE1(288) at -19.8419 26.1299 29.3354 in (null):H-9999 (38) other bump:2.81901 Ang CG(63) at -20.2152 23.3811 28.8339 in (null):L-9999 (9) and CE1(288) at -19.8419 26.1299 29.3354 in (null):H-9999 (38) other bump:2.89229 Ang CG1(196) at -16.5 26.665 26.296 in (null):I-9999 (26) and CD2(286) at -19.0389 27.1808 27.5817 in (null):H-9999 (38) other bump:2.99042 Ang CD1(198) at -16.964 25.229 26.672 in (null):I-9999 (26) and CD2(286) at -19.0389 27.1808 27.5817 in (null):H-9999 (38) other bump:2.94997 Ang CB(255) at -24.281 31.0461 21.5992 in (null):E-9999 (34) and CD(279) at -23.328 32.702 23.8469 in (null):P-9999 (37) other bump:3.15616 Ang C(261) at -22.39 29.896 22.748 in (null):E-9999 (34) and CD(279) at -23.328 32.702 23.8469 in (null):P-9999 (37) other bump:2.9234 Ang CG(256) at -23.3546 32.093 20.9877 in (null):E-9999 (34) and CD(279) at -23.328 32.702 23.8469 in (null):P-9999 (37) other bump:2.66862 Ang CA(209) at -18.717 26.914 18.249 in (null):D-9999 (28) and OD2(267) at -17.9115 28.6431 20.1152 in (null):D-9999 (35) other bump:2.46718 Ang CB(210) at -17.972 28.168 17.695 in (null):D-9999 (28) and OD2(267) at -17.9115 28.6431 20.1152 in (null):D-9999 (35) other bump:1.92743 Ang O(206) at -18.63 26.083 20.899 in (null):T-9999 (27) and OD1(266) at -19.3608 27.754 21.5224 in (null):D-9999 (35) other bump:2.54637 Ang OH(44) at -26.0482 27.8077 24.5133 in (null):Y-9999 (6) and C(252) at -24.335 27.517 22.652 in (null):M-9999 (33) other bump:1.60085 Ang O(28) at -25.27 22.598 28.19 in (null):H-9999 (4) and CE(250) at -25.5249 23.8953 27.2873 in (null):M-9999 (33) other bump:2.7997 Ang C(29) at -25.476 21.547 28.811 in (null):H-9999 (4) and CE(250) at -25.5249 23.8953 27.2873 in (null):M-9999 (33) other bump:2.22527 Ang CE1(41) at -26.8562 27.4356 26.7248 in (null):Y-9999 (6) and SD(249) at -25.6663 25.6382 27.2774 in (null):M-9999 (33) other bump:2.68615 Ang CE2(42) at -24.521 27.8867 26.3565 in (null):Y-9999 (6) and SD(249) at -25.6663 25.6382 27.2774 in (null):M-9999 (33) other bump:2.50685 Ang CZ(43) at -25.806 27.7056 25.8664 in (null):Y-9999 (6) and SD(249) at -25.6663 25.6382 27.2774 in (null):M-9999 (33) other bump:2.33702 Ang CG(38) at -25.339 27.5276 28.6134 in (null):Y-9999 (6) and SD(249) at -25.6663 25.6382 27.2774 in (null):M-9999 (33) other bump:2.11769 Ang CD1(39) at -26.6173 27.3438 28.0966 in (null):Y-9999 (6) and SD(249) at -25.6663 25.6382 27.2774 in (null):M-9999 (33) other bump:2.59965 Ang CD2(40) at -24.2958 27.802 27.7225 in (null):Y-9999 (6) and SD(249) at -25.6663 25.6382 27.2774 in (null):M-9999 (33) other bump:2.00813 Ang CE1(41) at -26.8562 27.4356 26.7248 in (null):Y-9999 (6) and CG(248) at -26.2134 25.9148 25.5818 in (null):M-9999 (33) other bump:2.71163 Ang CE2(42) at -24.521 27.8867 26.3565 in (null):Y-9999 (6) and CG(248) at -26.2134 25.9148 25.5818 in (null):M-9999 (33) other bump:1.85848 Ang CZ(43) at -25.806 27.7056 25.8664 in (null):Y-9999 (6) and CG(248) at -26.2134 25.9148 25.5818 in (null):M-9999 (33) other bump:2.17999 Ang OH(44) at -26.0482 27.8077 24.5133 in (null):Y-9999 (6) and CG(248) at -26.2134 25.9148 25.5818 in (null):M-9999 (33) other bump:2.80191 Ang CE1(41) at -26.8562 27.4356 26.7248 in (null):Y-9999 (6) and CB(247) at -25.1035 26.5183 24.7405 in (null):M-9999 (33) other bump:2.19622 Ang CE2(42) at -24.521 27.8867 26.3565 in (null):Y-9999 (6) and CB(247) at -25.1035 26.5183 24.7405 in (null):M-9999 (33) other bump:1.78063 Ang CZ(43) at -25.806 27.7056 25.8664 in (null):Y-9999 (6) and CB(247) at -25.1035 26.5183 24.7405 in (null):M-9999 (33) other bump:1.61454 Ang OH(44) at -26.0482 27.8077 24.5133 in (null):Y-9999 (6) and CB(247) at -25.1035 26.5183 24.7405 in (null):M-9999 (33) other bump:2.86153 Ang CZ(43) at -25.806 27.7056 25.8664 in (null):Y-9999 (6) and CA(246) at -25.481 26.654 23.225 in (null):M-9999 (33) other bump:1.82002 Ang OH(44) at -26.0482 27.8077 24.5133 in (null):Y-9999 (6) and CA(246) at -25.481 26.654 23.225 in (null):M-9999 (33) other bump:2.60837 Ang CG2(16) at -23.9687 19.5307 22.4011 in (null):T-9999 (3) and OD1(241) at -23.8603 21.4021 20.5874 in (null):D-9999 (32) neighbor-bump: 2.62991 Ang N(226) at -23.701 25.915 15.79 in (null):G-9999 (30) and CD(234) at -24.8372 23.5442 15.7222 in (null):P-9999 (31) other bump:2.90287 Ang C(225) at -22.982 25.478 16.838 in (null):H-9999 (29) and CD(234) at -24.8372 23.5442 15.7222 in (null):P-9999 (31) other bump:1.98906 Ang CB(118) at -10.79 22.685 34.253 in (null):A-9999 (16) and CZ(185) at -10.8091 24.2957 33.0861 in (null):F-9999 (24) other bump:3.21415 Ang CA(117) at -10.567 22.547 35.772 in (null):A-9999 (16) and CZ(185) at -10.8091 24.2957 33.0861 in (null):F-9999 (24) other bump:2.55371 Ang CB(118) at -10.79 22.685 34.253 in (null):A-9999 (16) and CE1(183) at -11.576 23.7422 32.0653 in (null):F-9999 (24) other bump:2.63406 Ang CB(118) at -10.79 22.685 34.253 in (null):A-9999 (16) and CD1(157) at -8.7524 21.2657 33.3744 in (null):I-9999 (21) other bump:2.63618 Ang CG2(56) at -22.4786 20.0417 33.9494 in (null):T-9999 (8) and CE1(88) at -20.0974 19.0024 34.3958 in (null):Y-9999 (12) other bump:2.85245 Ang CA(8) at -21.579 23.033 25.055 in (null):S-9999 (2) and CD2(65) at -21.2567 23.7617 27.7939 in (null):L-9999 (9) T0147_twice 58 :IWPRVVDGVGILRGI 1ezwA 51 :LAAVITSKIKLGPGI Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 1.94656 Ang O(85) at -11.254 32.855 26.227 in (null):I-9999 (11) and CD2(92) at -10.5181 33.8263 24.709 in (null):L-9999 (12) neighbor-bump: 2.69349 Ang C(86) at -11.531 31.711 26.551 in (null):I-9999 (11) and CG(90) at -9.93128 32.4434 24.5115 in (null):L-9999 (12) neighbor-bump: 2.20497 Ang O(85) at -11.254 32.855 26.227 in (null):I-9999 (11) and CG(90) at -9.93128 32.4434 24.5115 in (null):L-9999 (12) other bump:2.72506 Ang CD2(15) at -14.615 29.5707 31.7357 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:1.77714 Ang CE3(17) at -14.0385 30.5596 30.9279 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:0.416625 Ang CZ3(20) at -12.6502 30.6645 30.8817 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:1.23513 Ang CH2(21) at -11.832 29.798 31.6292 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:2.92755 Ang CE2(16) at -13.7625 28.7133 32.4754 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:2.41174 Ang CZ2(19) at -12.3684 28.819 32.4288 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:2.82017 Ang CE3(17) at -14.0385 30.5596 30.9279 in (null):W-9999 (2) and CG2(83) at -13.8613 31.645 28.331 in (null):I-9999 (11) other bump:2.98899 Ang CZ3(20) at -12.6502 30.6645 30.8817 in (null):W-9999 (2) and CG2(83) at -13.8613 31.645 28.331 in (null):I-9999 (11) other bump:2.31904 Ang CE3(17) at -14.0385 30.5596 30.9279 in (null):W-9999 (2) and CG1(82) at -12.3311 31.9932 30.2894 in (null):I-9999 (11) other bump:1.48932 Ang CZ3(20) at -12.6502 30.6645 30.8817 in (null):W-9999 (2) and CG1(82) at -12.3311 31.9932 30.2894 in (null):I-9999 (11) other bump:2.61982 Ang CH2(21) at -11.832 29.798 31.6292 in (null):W-9999 (2) and CG1(82) at -12.3311 31.9932 30.2894 in (null):I-9999 (11) other bump:3.09037 Ang CE3(17) at -14.0385 30.5596 30.9279 in (null):W-9999 (2) and CB(81) at -12.4803 32.1205 28.7631 in (null):I-9999 (11) other bump:2.57624 Ang CZ3(20) at -12.6502 30.6645 30.8817 in (null):W-9999 (2) and CB(81) at -12.4803 32.1205 28.7631 in (null):I-9999 (11) other bump:3.22108 Ang CZ3(20) at -12.6502 30.6645 30.8817 in (null):W-9999 (2) and CA(80) at -11.353 31.297 28.002 in (null):I-9999 (11) other bump:2.16819 Ang CH2(21) at -11.832 29.798 31.6292 in (null):W-9999 (2) and CG2(72) at -10.679 29.254 33.383 in (null):V-9999 (9) other bump:1.9884 Ang CZ2(19) at -12.3684 28.819 32.4288 in (null):W-9999 (2) and CG2(72) at -10.679 29.254 33.383 in (null):V-9999 (9) other bump:2.98818 Ang NE1(18) at -14.5582 27.8454 33.1744 in (null):W-9999 (2) and CG2(53) at -14.3553 30.1462 35.0703 in (null):V-9999 (6) other bump:3.02289 Ang CE2(16) at -13.7625 28.7133 32.4754 in (null):W-9999 (2) and CG2(53) at -14.3553 30.1462 35.0703 in (null):V-9999 (6) other bump:2.77117 Ang C(1) at -19.951 34.208 30.857 in (null):G-9999 (0) and CD(28) at -17.4494 33.0471 31.1287 in (null):P-9999 (3) neighbor-bump: 2.62368 Ang N(10) at -19.15 31.267 32.036 in (null):W-9999 (2) and CD(28) at -17.4494 33.0471 31.1287 in (null):P-9999 (3) T0147_twice 76 :IKN 1ezwA 66 :TNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 137 :YEIDVKAVAEAAAKHQ 1ezwA 203 :FEVAVPKIEEGAKEAG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.62366 Ang O(84) at 6.61 30.528 9.06 in (null):A-9999 (11) and CD2(109) at 4.93698 32.5428 9.21901 in (null):H-9999 (15) neighbor-bump: 3.2894 Ang CG1(26) at 1.77917 14.1584 10.5977 in (null):I-9999 (3) and OD1(35) at 0.0739948 16.8953 11.2475 in (null):D-9999 (4) T0147_twice 153 :VALEINNSS 1ezwA 230 :TCFSIDKDE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01912 Ang CG1(5) at -6.56736 13.2367 24.0066 in (null):V-9999 (1) and C(13) at -9.246 11.848 24.113 in (null):A-9999 (2) neighbor-bump: 2.62454 Ang CG1(5) at -6.56736 13.2367 24.0066 in (null):V-9999 (1) and O(12) at -8.196 11.179 24.044 in (null):A-9999 (2) T0147_twice 168 :GSEDNCREVAAAVRDAGGW 1ezwA 239 :DKAIEATKIVVAFIVMGSP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0147_twice 206 :LKILDAVDFPPER 1ezwA 258 :DVVLERHGIDTEK Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.35172 Ang N(81) at -8.311 -1.227 8.139 in (null):P-9999 (11) and CD(85) at -6.96938 -1.27875 7.9824 in (null):P-9999 (11) other bump:1.83805 Ang O(72) at -6.058 -0.249 9.202 in (null):F-9999 (9) and CD(85) at -6.96938 -1.27875 7.9824 in (null):P-9999 (11) other bump:2.71054 Ang C(73) at -6.23 -0.334 10.413 in (null):F-9999 (9) and CD(85) at -6.96938 -1.27875 7.9824 in (null):P-9999 (11) self-bump: 2.20525 Ang N(81) at -8.311 -1.227 8.139 in (null):P-9999 (11) and CG(84) at -6.79428 -0.354868 6.79659 in (null):P-9999 (11) other bump:2.5178 Ang O(72) at -6.058 -0.249 9.202 in (null):F-9999 (9) and CG(84) at -6.79428 -0.354868 6.79659 in (null):P-9999 (11) self-bump: 1.37945 Ang CA(75) at -7.666 -2.31 10.219 in (null):P-9999 (10) and CB(76) at -7.70866 -3.52125 10.8777 in (null):P-9999 (10) other bump:2.43548 Ang CB(50) at -3.11978 5.08635 13.0411 in (null):V-9999 (7) and CZ(71) at -5.20611 4.90258 14.2841 in (null):F-9999 (9) other bump:1.44664 Ang CG1(51) at -3.8385 4.43688 14.2095 in (null):V-9999 (7) and CZ(71) at -5.20611 4.90258 14.2841 in (null):F-9999 (9) other bump:1.66077 Ang CB(50) at -3.11978 5.08635 13.0411 in (null):V-9999 (7) and CE2(70) at -4.77314 4.95508 12.9556 in (null):F-9999 (9) other bump:1.64753 Ang CG1(51) at -3.8385 4.43688 14.2095 in (null):V-9999 (7) and CE2(70) at -4.77314 4.95508 12.9556 in (null):F-9999 (9) other bump:3.18199 Ang CA(49) at -1.698 4.202 12.637 in (null):V-9999 (7) and CE2(70) at -4.77314 4.95508 12.9556 in (null):F-9999 (9) other bump:2.63985 Ang CG2(52) at -2.69258 6.51343 13.4156 in (null):V-9999 (7) and CE2(70) at -4.77314 4.95508 12.9556 in (null):F-9999 (9) other bump:2.34661 Ang CG1(51) at -3.8385 4.43688 14.2095 in (null):V-9999 (7) and CE1(69) at -6.07111 3.88924 14.6808 in (null):F-9999 (9) other bump:3.22572 Ang CA(28) at -5.58 5.204 9.068 in (null):L-9999 (4) and CD2(68) at -5.21057 3.99512 12.0357 in (null):F-9999 (9) other bump:2.56378 Ang CB(50) at -3.11978 5.08635 13.0411 in (null):V-9999 (7) and CD2(68) at -5.21057 3.99512 12.0357 in (null):F-9999 (9) other bump:2.60824 Ang CG1(51) at -3.8385 4.43688 14.2095 in (null):V-9999 (7) and CD2(68) at -5.21057 3.99512 12.0357 in (null):F-9999 (9) T0147_twice 253 :MHTVASTHAYSTLSDYIAQAKQKGIKLFAITDH 1ezwA 271 :AEQIAEAIGKGDFGTAIGLVDEDMIEAFSIAGD Fragment has 46 clashes (null) has 46 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.52118 Ang O(238) at -5.238 4.947 28.332 in (null):T-9999 (31) and CG(243) at -3.84922 5.88633 30.2149 in (null):D-9999 (32) neighbor-bump: 2.78687 Ang C(239) at -6.172 5.679 28.689 in (null):T-9999 (31) and CG(243) at -3.84922 5.88633 30.2149 in (null):D-9999 (32) neighbor-bump: 2.23636 Ang O(238) at -5.238 4.947 28.332 in (null):T-9999 (31) and CB(242) at -4.58846 4.58087 30.4404 in (null):D-9999 (32) neighbor-bump: 2.60402 Ang C(239) at -6.172 5.679 28.689 in (null):T-9999 (31) and CB(242) at -4.58846 4.58087 30.4404 in (null):D-9999 (32) neighbor-bump: 3.08359 Ang CG(204) at -4.37275 6.18501 15.2014 in (null):L-9999 (27) and CZ(217) at -6.952 6.762 13.613 in (null):F-9999 (28) neighbor-bump: 2.26359 Ang CD2(206) at -5.074 5.5594 14.0012 in (null):L-9999 (27) and CZ(217) at -6.952 6.762 13.613 in (null):F-9999 (28) neighbor-bump: 3.06524 Ang CG(204) at -4.37275 6.18501 15.2014 in (null):L-9999 (27) and CE2(216) at -6.592 8.009 14.132 in (null):F-9999 (28) neighbor-bump: 2.88478 Ang CD2(206) at -5.074 5.5594 14.0012 in (null):L-9999 (27) and CE2(216) at -6.592 8.009 14.132 in (null):F-9999 (28) neighbor-bump: 2.68709 Ang CD2(206) at -5.074 5.5594 14.0012 in (null):L-9999 (27) and CE1(215) at -7.714 5.887 14.38 in (null):F-9999 (28) other bump:2.34482 Ang NE2(59) at -18.5502 4.89667 14.478 in (null):H-9999 (8) and OH(123) at -16.4028 5.83818 14.4655 in (null):Y-9999 (16) other bump:2.56846 Ang CG2(31) at -16.715 3.023 13.243 in (null):V-9999 (4) and CZ(122) at -17.327 4.91201 14.8721 in (null):Y-9999 (16) other bump:2.48569 Ang CD2(56) at -19.2054 4.56105 13.2824 in (null):H-9999 (8) and CZ(122) at -17.327 4.91201 14.8721 in (null):Y-9999 (16) other bump:3.25788 Ang ND1(57) at -20.1432 6.35636 14.1 in (null):H-9999 (8) and CZ(122) at -17.327 4.91201 14.8721 in (null):Y-9999 (16) other bump:2.11959 Ang CE1(58) at -19.1555 5.98271 14.9237 in (null):H-9999 (8) and CZ(122) at -17.327 4.91201 14.8721 in (null):Y-9999 (16) other bump:1.28528 Ang NE2(59) at -18.5502 4.89667 14.478 in (null):H-9999 (8) and CZ(122) at -17.327 4.91201 14.8721 in (null):Y-9999 (16) other bump:2.1994 Ang CG2(31) at -16.715 3.023 13.243 in (null):V-9999 (4) and CE2(121) at -18.2559 4.41824 13.9615 in (null):Y-9999 (16) other bump:2.38478 Ang CG(55) at -20.1931 5.46661 13.0475 in (null):H-9999 (8) and CE2(121) at -18.2559 4.41824 13.9615 in (null):Y-9999 (16) other bump:1.17602 Ang CD2(56) at -19.2054 4.56105 13.2824 in (null):H-9999 (8) and CE2(121) at -18.2559 4.41824 13.9615 in (null):Y-9999 (16) other bump:2.70879 Ang ND1(57) at -20.1432 6.35636 14.1 in (null):H-9999 (8) and CE2(121) at -18.2559 4.41824 13.9615 in (null):Y-9999 (16) other bump:2.04517 Ang CE1(58) at -19.1555 5.98271 14.9237 in (null):H-9999 (8) and CE2(121) at -18.2559 4.41824 13.9615 in (null):Y-9999 (16) other bump:0.763074 Ang NE2(59) at -18.5502 4.89667 14.478 in (null):H-9999 (8) and CE2(121) at -18.2559 4.41824 13.9615 in (null):Y-9999 (16) other bump:2.68875 Ang CE1(58) at -19.1555 5.98271 14.9237 in (null):H-9999 (8) and CE1(120) at -17.3215 4.4727 16.1829 in (null):Y-9999 (16) other bump:2.1439 Ang NE2(59) at -18.5502 4.89667 14.478 in (null):H-9999 (8) and CE1(120) at -17.3215 4.4727 16.1829 in (null):Y-9999 (16) other bump:2.7605 Ang CG2(31) at -16.715 3.023 13.243 in (null):V-9999 (4) and CD2(119) at -19.1876 3.47932 14.3824 in (null):Y-9999 (16) other bump:2.59656 Ang CG(55) at -20.1931 5.46661 13.0475 in (null):H-9999 (8) and CD2(119) at -19.1876 3.47932 14.3824 in (null):Y-9999 (16) other bump:1.54284 Ang CD2(56) at -19.2054 4.56105 13.2824 in (null):H-9999 (8) and CD2(119) at -19.1876 3.47932 14.3824 in (null):Y-9999 (16) other bump:1.55702 Ang NE2(59) at -18.5502 4.89667 14.478 in (null):H-9999 (8) and CD2(119) at -19.1876 3.47932 14.3824 in (null):Y-9999 (16) other bump:2.5324 Ang NE2(59) at -18.5502 4.89667 14.478 in (null):H-9999 (8) and CD1(118) at -18.255 3.53664 16.5937 in (null):Y-9999 (16) other bump:2.33046 Ang NE2(59) at -18.5502 4.89667 14.478 in (null):H-9999 (8) and CG(117) at -19.2003 3.02356 15.7027 in (null):Y-9999 (16) other bump:2.92113 Ang CG2(48) at -22.4814 0.311152 14.1595 in (null):T-9999 (7) and N(114) at -20.807 -0.343 16.462 in (null):Y-9999 (16) other bump:3.16529 Ang CG2(48) at -22.4814 0.311152 14.1595 in (null):T-9999 (7) and C(91) at -24.829 1.643 15.813 in (null):T-9999 (12) other bump:1.96727 Ang CG2(48) at -22.4814 0.311152 14.1595 in (null):T-9999 (7) and O(90) at -23.807 1.096 15.383 in (null):T-9999 (12) other bump:3.01639 Ang CG2(48) at -22.4814 0.311152 14.1595 in (null):T-9999 (7) and OG1(89) at -25.2896 0.546168 13.0837 in (null):T-9999 (12) other bump:2.97349 Ang CA(40) at -21.56 1.854 8.225 in (null):S-9999 (6) and CE2(74) at -24.2559 1.98432 6.97724 in (null):Y-9999 (10) other bump:2.44424 Ang O(43) at -23.685 1.71 9.338 in (null):S-9999 (6) and CE2(74) at -24.2559 1.98432 6.97724 in (null):Y-9999 (10) other bump:3.06452 Ang C(44) at -22.459 1.608 9.431 in (null):S-9999 (6) and CE2(74) at -24.2559 1.98432 6.97724 in (null):Y-9999 (10) other bump:3.18519 Ang CA(40) at -21.56 1.854 8.225 in (null):S-9999 (6) and CD2(72) at -24.7356 2.096 8.27464 in (null):Y-9999 (10) other bump:1.54385 Ang O(43) at -23.685 1.71 9.338 in (null):S-9999 (6) and CD2(72) at -24.7356 2.096 8.27464 in (null):Y-9999 (10) other bump:2.59965 Ang C(44) at -22.459 1.608 9.431 in (null):S-9999 (6) and CD2(72) at -24.7356 2.096 8.27464 in (null):Y-9999 (10) other bump:2.46919 Ang O(37) at -20.986 4.526 8.814 in (null):A-9999 (5) and O(60) at -23.148 4.693 9.995 in (null):H-9999 (8) other bump:3.12675 Ang C(33) at -18.444 2.391 11.164 in (null):V-9999 (4) and CD2(56) at -19.2054 4.56105 13.2824 in (null):H-9999 (8) other bump:2.9273 Ang CG2(31) at -16.715 3.023 13.243 in (null):V-9999 (4) and CD2(56) at -19.2054 4.56105 13.2824 in (null):H-9999 (8) other bump:2.35894 Ang O(32) at -19.45 2.775 11.761 in (null):V-9999 (4) and CD2(56) at -19.2054 4.56105 13.2824 in (null):H-9999 (8) other bump:3.2214 Ang CA(11) at -15.816 2.252 7.464 in (null):H-9999 (2) and CB(36) at -17.891 4.595 8.227 in (null):A-9999 (5) other bump:3.10236 Ang C(19) at -16.904 1.21 7.709 in (null):H-9999 (2) and N(34) at -18.015 2.943 10.03 in (null):A-9999 (5) other bump:2.97504 Ang C(1) at -13.204 -1.31 10.817 in (null):G-9999 (0) and CG2(23) at -15.7965 -2.47679 9.94029 in (null):T-9999 (3) T0147_twice 382 :YEIDVKAVAEAAAKHQVALEIN 1ezwA 304 :PDTVVDKIEELLKAGVTQVVVG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.61438 Ang NE2(121) at -0.555627 20.2116 22.8682 in (null):Q-9999 (16) and C(135) at -1.368 20.94 25.244 in (null):A-9999 (18) other bump:2.77705 Ang CD(119) at -0.0987195 19.0238 22.4465 in (null):Q-9999 (16) and O(134) at -1.672 20.59 24.115 in (null):A-9999 (18) T0147_twice 410 :SRKG 1ezwA 326 :SPIG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues self-bump: 2.15611 Ang CB(21) at -13.194 14.2387 30.5108 in (null):K-9999 (3) and C(27) at -12.45 12.215 30.505 in (null):K-9999 (3) T0147_twice 467 :VSPRRLLNFLESR 1ezwA 330 :PDKEKAIELVGQE Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.95591 Ang CE2(75) at -5.98431 9.06105 36.6202 in (null):F-9999 (9) and NH2(110) at -6.60833 8.59482 39.4716 in (null):R-9999 (13) other bump:2.11651 Ang CZ(76) at -5.37442 8.55752 37.7524 in (null):F-9999 (9) and NH2(110) at -6.60833 8.59482 39.4716 in (null):R-9999 (13) other bump:1.13529 Ang CE1(74) at -5.66705 9.01541 38.9963 in (null):F-9999 (9) and NH2(110) at -6.60833 8.59482 39.4716 in (null):R-9999 (13) other bump:2.53523 Ang CG(71) at -7.23734 10.5539 37.9906 in (null):F-9999 (9) and NH2(110) at -6.60833 8.59482 39.4716 in (null):R-9999 (13) other bump:1.49953 Ang CD1(72) at -6.60966 10.0519 39.1172 in (null):F-9999 (9) and NH2(110) at -6.60833 8.59482 39.4716 in (null):R-9999 (13) other bump:2.65799 Ang CZ(76) at -5.37442 8.55752 37.7524 in (null):F-9999 (9) and NH1(109) at -4.96124 7.11229 39.9446 in (null):R-9999 (13) other bump:2.24038 Ang CE1(74) at -5.66705 9.01541 38.9963 in (null):F-9999 (9) and NH1(109) at -4.96124 7.11229 39.9446 in (null):R-9999 (13) other bump:2.31234 Ang CZ(76) at -5.37442 8.55752 37.7524 in (null):F-9999 (9) and CZ(108) at -5.43869 8.35535 40.055 in (null):R-9999 (13) other bump:1.26837 Ang CE1(74) at -5.66705 9.01541 38.9963 in (null):F-9999 (9) and CZ(108) at -5.43869 8.35535 40.055 in (null):R-9999 (13) other bump:2.26468 Ang CD1(72) at -6.60966 10.0519 39.1172 in (null):F-9999 (9) and CZ(108) at -5.43869 8.35535 40.055 in (null):R-9999 (13) other bump:3.07679 Ang CZ(76) at -5.37442 8.55752 37.7524 in (null):F-9999 (9) and NE(107) at -4.8904 9.3859 40.6758 in (null):R-9999 (13) other bump:1.88714 Ang CE1(74) at -5.66705 9.01541 38.9963 in (null):F-9999 (9) and NE(107) at -4.8904 9.3859 40.6758 in (null):R-9999 (13) other bump:2.41426 Ang CD1(72) at -6.60966 10.0519 39.1172 in (null):F-9999 (9) and NE(107) at -4.8904 9.3859 40.6758 in (null):R-9999 (13) other bump:2.95104 Ang N(2) at -15.033 8.676 32.49 in (null):V-9999 (1) and CD1(48) at -13.3597 11.0965 32.7137 in (null):L-9999 (6) other bump:2.10808 Ang C(1) at -14.864 9.862 31.903 in (null):G-9999 (0) and CD1(48) at -13.3597 11.0965 32.7137 in (null):L-9999 (6) T0147_twice 484 :IAEFA 1ezwA 343 :VIPHF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.0598 Ang O(0) at -0.671 11.827 37.774 in (null):G-9999 (0) and CE2(31) at 1.03027 12.3998 38.7841 in (null):F-9999 (4) other bump:2.58444 Ang C(1) at -1.452 12.747 38.154 in (null):G-9999 (0) and CE2(31) at 1.03027 12.3998 38.7841 in (null):F-9999 (4) other bump:3.14636 Ang C(1) at -1.452 12.747 38.154 in (null):G-9999 (0) and CD2(29) at 1.64609 13.1453 37.7761 in (null):F-9999 (4) Number of specific fragments= 13 total=126 Number of alignments=10 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1pta/T0147_twice-1pta-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1pta read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1pta/T0147_twice-1pta-2track-protein-STR-global-adpstyle1.pw.a2m.gz # adding 1pta to template set 1pta:# found chain 1pta in template set T0147_twice 1 :MY 1pta 36 :RI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 3 :PVDLHMHTVAST 1pta 51 :FTLTHEHICGSS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 2.49982 Ang C(73) at 30.465 55.032 0.17 in (null):V-9999 (9) and CB(76) at 32.7893 54.3706 0.809626 in (null):A-9999 (10) neighbor-bump: 2.25893 Ang O(72) at 30.909 55.56 1.2 in (null):V-9999 (9) and CB(76) at 32.7893 54.3706 0.809626 in (null):A-9999 (10) neighbor-bump: 3.22629 Ang CG1(70) at 31.2204 54.396 -2.33109 in (null):V-9999 (9) and CA(75) at 31.771 52.998 0.524 in (null):A-9999 (10) neighbor-bump: 2.24203 Ang CG1(70) at 31.2204 54.396 -2.33109 in (null):V-9999 (9) and N(74) at 30.795 53.8 -0.212 in (null):A-9999 (10) neighbor-bump: 2.26507 Ang CB(26) at 32.2645 68.6453 4.84061 in (null):L-9999 (4) and N(32) at 31.898 66.667 5.881 in (null):H-9999 (5) self-bump: 2.15437 Ang CB(26) at 32.2645 68.6453 4.84061 in (null):L-9999 (4) and C(31) at 30.812 67.427 5.864 in (null):L-9999 (4) self-bump: 1.27505 Ang CA(25) at 31.02 68.733 5.104 in (null):L-9999 (4) and CB(26) at 32.2645 68.6453 4.84061 in (null):L-9999 (4) T0147_twice 15 :H 1pta 64 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 17 :YSTLSDYIAQAKQ 1pta 73 :FGSRKALAEKAVR Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.56533 Ang CA(3) at 25.582 44.75 -0.998 in (null):Y-9999 (1) and OH(58) at 25.3453 47.1778 -1.79211 in (null):Y-9999 (7) other bump:1.6284 Ang C(13) at 25.044 45.609 -2.108 in (null):Y-9999 (1) and OH(58) at 25.3453 47.1778 -1.79211 in (null):Y-9999 (7) other bump:0.669382 Ang O(12) at 24.806 46.806 -1.93 in (null):Y-9999 (1) and OH(58) at 25.3453 47.1778 -1.79211 in (null):Y-9999 (7) other bump:2.60286 Ang CB(16) at 23.8663 47.1083 -3.93281 in (null):S-9999 (2) and OH(58) at 25.3453 47.1778 -1.79211 in (null):Y-9999 (7) other bump:1.8766 Ang OG(17) at 24.95 47.8998 -3.47854 in (null):S-9999 (2) and OH(58) at 25.3453 47.1778 -1.79211 in (null):Y-9999 (7) other bump:2.77452 Ang C(13) at 25.044 45.609 -2.108 in (null):Y-9999 (1) and CZ(57) at 25.5174 48.3038 -2.56843 in (null):Y-9999 (7) other bump:1.7768 Ang O(12) at 24.806 46.806 -1.93 in (null):Y-9999 (1) and CZ(57) at 25.5174 48.3038 -2.56843 in (null):Y-9999 (7) other bump:2.45294 Ang CB(16) at 23.8663 47.1083 -3.93281 in (null):S-9999 (2) and CZ(57) at 25.5174 48.3038 -2.56843 in (null):Y-9999 (7) other bump:1.14604 Ang OG(17) at 24.95 47.8998 -3.47854 in (null):S-9999 (2) and CZ(57) at 25.5174 48.3038 -2.56843 in (null):Y-9999 (7) other bump:2.78551 Ang O(12) at 24.806 46.806 -1.93 in (null):Y-9999 (1) and CE2(56) at 25.2303 49.5565 -2.04655 in (null):Y-9999 (7) other bump:2.20767 Ang OG(17) at 24.95 47.8998 -3.47854 in (null):S-9999 (2) and CE2(56) at 25.2303 49.5565 -2.04655 in (null):Y-9999 (7) other bump:2.74934 Ang C(19) at 25.492 45.947 -5.4 in (null):S-9999 (2) and CE1(55) at 25.9901 48.1703 -3.86124 in (null):Y-9999 (7) other bump:3.24486 Ang C(13) at 25.044 45.609 -2.108 in (null):Y-9999 (1) and CE1(55) at 25.9901 48.1703 -3.86124 in (null):Y-9999 (7) other bump:2.98783 Ang CA(15) at 24.366 45.719 -4.391 in (null):S-9999 (2) and CE1(55) at 25.9901 48.1703 -3.86124 in (null):Y-9999 (7) other bump:2.64444 Ang O(12) at 24.806 46.806 -1.93 in (null):Y-9999 (1) and CE1(55) at 25.9901 48.1703 -3.86124 in (null):Y-9999 (7) other bump:2.37562 Ang CB(16) at 23.8663 47.1083 -3.93281 in (null):S-9999 (2) and CE1(55) at 25.9901 48.1703 -3.86124 in (null):Y-9999 (7) other bump:1.1408 Ang OG(17) at 24.95 47.8998 -3.47854 in (null):S-9999 (2) and CE1(55) at 25.9901 48.1703 -3.86124 in (null):Y-9999 (7) other bump:2.65291 Ang O(25) at 25.824 48.827 -7.231 in (null):T-9999 (3) and CD1(53) at 26.1777 49.3087 -4.64626 in (null):Y-9999 (7) other bump:2.20352 Ang OG(17) at 24.95 47.8998 -3.47854 in (null):S-9999 (2) and CD1(53) at 26.1777 49.3087 -4.64626 in (null):Y-9999 (7) neighbor-bump: 2.67118 Ang C(13) at 25.044 45.609 -2.108 in (null):Y-9999 (1) and OG(17) at 24.95 47.8998 -3.47854 in (null):S-9999 (2) neighbor-bump: 1.90138 Ang O(12) at 24.806 46.806 -1.93 in (null):Y-9999 (1) and OG(17) at 24.95 47.8998 -3.47854 in (null):S-9999 (2) neighbor-bump: 2.63911 Ang C(13) at 25.044 45.609 -2.108 in (null):Y-9999 (1) and CB(16) at 23.8663 47.1083 -3.93281 in (null):S-9999 (2) neighbor-bump: 2.23288 Ang O(12) at 24.806 46.806 -1.93 in (null):Y-9999 (1) and CB(16) at 23.8663 47.1083 -3.93281 in (null):S-9999 (2) T0147_twice 45 :EDAPHHW 1pta 86 :GLRRARA Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:3.1501 Ang CG(27) at 16.197 65.896 -2.115 in (null):P-9999 (4) and CZ2(60) at 14.303 68.3865 -1.74978 in (null):W-9999 (7) other bump:2.31639 Ang CA(25) at 17.614 66.229 -4.075 in (null):P-9999 (4) and NE1(59) at 15.7106 67.4685 -3.62046 in (null):W-9999 (7) other bump:2.72016 Ang CB(26) at 17.099 65.19 -3.091 in (null):P-9999 (4) and NE1(59) at 15.7106 67.4685 -3.62046 in (null):W-9999 (7) other bump:2.2306 Ang CG(27) at 16.197 65.896 -2.115 in (null):P-9999 (4) and NE1(59) at 15.7106 67.4685 -3.62046 in (null):W-9999 (7) other bump:2.3444 Ang O(29) at 17.765 68.432 -3.031 in (null):P-9999 (4) and NE1(59) at 15.7106 67.4685 -3.62046 in (null):W-9999 (7) other bump:2.61273 Ang C(30) at 18.296 67.345 -3.264 in (null):P-9999 (4) and NE1(59) at 15.7106 67.4685 -3.62046 in (null):W-9999 (7) other bump:2.93393 Ang CG(27) at 16.197 65.896 -2.115 in (null):P-9999 (4) and CE2(57) at 15.0146 68.448 -2.95 in (null):W-9999 (7) other bump:2.75166 Ang O(29) at 17.765 68.432 -3.031 in (null):P-9999 (4) and CE2(57) at 15.0146 68.448 -2.95 in (null):W-9999 (7) other bump:2.35797 Ang CA(25) at 17.614 66.229 -4.075 in (null):P-9999 (4) and CD1(55) at 16.2636 68.0399 -4.75092 in (null):W-9999 (7) other bump:2.3165 Ang O(29) at 17.765 68.432 -3.031 in (null):P-9999 (4) and CD1(55) at 16.2636 68.0399 -4.75092 in (null):W-9999 (7) other bump:2.61241 Ang C(30) at 18.296 67.345 -3.264 in (null):P-9999 (4) and CD1(55) at 16.2636 68.0399 -4.75092 in (null):W-9999 (7) T0147_twice 60 :PRVVDGVGI 1pta 93 :AGVRTIVDV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.78634 Ang C(8) at 18.677 73.355 -1.851 in (null):P-9999 (1) and CG(12) at 18.896 76.131 -1.94778 in (null):R-9999 (2) neighbor-bump: 2.14897 Ang O(7) at 18.54 74.237 -0.997 in (null):P-9999 (1) and CG(12) at 18.896 76.131 -1.94778 in (null):R-9999 (2) T0147_twice 106 :APHDKATNTQAMIATIASGNVHIISHPGNPK 1pta 102 :STFDIGRDVSLLAEVSRAADVHIVAATGLWF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.15673 Ang CG(27) at 41.84 53.462 6.756 in (null):D-9999 (4) and CD(213) at 41.5246 55.3246 7.7966 in (null):P-9999 (30) other bump:1.96442 Ang OD1(28) at 41.629 54.519 6.008 in (null):D-9999 (4) and CD(213) at 41.5246 55.3246 7.7966 in (null):P-9999 (30) other bump:1.87323 Ang OD2(29) at 41.936 53.506 7.977 in (null):D-9999 (4) and CD(213) at 41.5246 55.3246 7.7966 in (null):P-9999 (30) other bump:3.06503 Ang CG(35) at 37.4004 53.4685 7.25995 in (null):K-9999 (5) and CG(212) at 40.0726 54.838 7.8749 in (null):P-9999 (30) other bump:2.50379 Ang CG(27) at 41.84 53.462 6.756 in (null):D-9999 (4) and CG(212) at 40.0726 54.838 7.8749 in (null):P-9999 (30) other bump:2.45141 Ang OD1(28) at 41.629 54.519 6.008 in (null):D-9999 (4) and CG(212) at 40.0726 54.838 7.8749 in (null):P-9999 (30) other bump:2.29279 Ang OD2(29) at 41.936 53.506 7.977 in (null):D-9999 (4) and CG(212) at 40.0726 54.838 7.8749 in (null):P-9999 (30) other bump:2.93724 Ang CE(37) at 36.9815 53.9328 9.69074 in (null):K-9999 (5) and CB(211) at 39.7854 54.7432 9.36113 in (null):P-9999 (30) neighbor-bump: 2.09249 Ang C(189) at 41.09 61.992 1.266 in (null):H-9999 (26) and CD(194) at 42.4462 63.5833 1.18233 in (null):P-9999 (27) other bump:2.47901 Ang CG1(113) at 31.4293 64.1005 -7.49868 in (null):I-9999 (16) and CD1(163) at 30.246 63.816 -5.339 in (null):I-9999 (23) other bump:3.01086 Ang CE(87) at 34.3274 61.688 -2.89715 in (null):M-9999 (12) and CG2(162) at 32.953 64.276 -3.589 in (null):I-9999 (23) other bump:3.08946 Ang CG1(113) at 31.4293 64.1005 -7.49868 in (null):I-9999 (16) and CG1(161) at 30.801 65.06 -4.63 in (null):I-9999 (23) other bump:2.74576 Ang CD1(115) at 32.9219 64.1459 -7.19588 in (null):I-9999 (16) and CB(160) at 32.332 65.124 -4.699 in (null):I-9999 (23) other bump:2.39292 Ang C(6) at 37.634 58.4 3.013 in (null):A-9999 (1) and OG1(50) at 37.8516 56.7086 1.33437 in (null):T-9999 (7) other bump:2.57788 Ang N(7) at 38.304 57.566 3.723 in (null):P-9999 (2) and OG1(50) at 37.8516 56.7086 1.33437 in (null):T-9999 (7) other bump:2.90839 Ang CA(8) at 39.712 57.308 3.488 in (null):P-9999 (2) and OG1(50) at 37.8516 56.7086 1.33437 in (null):T-9999 (7) other bump:2.64174 Ang C(13) at 39.857 55.921 2.863 in (null):P-9999 (2) and OG1(50) at 37.8516 56.7086 1.33437 in (null):T-9999 (7) neighbor-bump: 1.75529 Ang O(39) at 35.209 52.318 3.804 in (null):K-9999 (5) and CB(43) at 34.8323 51.5585 2.26702 in (null):A-9999 (6) neighbor-bump: 2.25812 Ang C(40) at 36.41 52.248 3.728 in (null):K-9999 (5) and CB(43) at 34.8323 51.5585 2.26702 in (null):A-9999 (6) T0147_twice 137 :YEIDVKAVAEAAAK 1pta 143 :VEELTQFFLREIQY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0147_twice 151 :HQVALEINNSS 1pta 164 :RAGIIKVATTG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.44925 Ang CD(16) at 43.5364 63.8046 1.27415 in (null):Q-9999 (2) and O(31) at 42.141 65.206 2.719 in (null):A-9999 (4) T0147_twice 164 :HSRKGSEDNCREVAAAVRDAGGWVAL 1pta 175 :KATPFQELVLKAAARASLATGVPVTT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.50924 Ang CZ3(170) at 38.6123 68.7143 6.89372 in (null):W-9999 (23) and CB(183) at 38.618 67.759 9.214 in (null):A-9999 (25) other bump:2.47478 Ang CG2(125) at 47.1769 69.5904 6.76793 in (null):V-9999 (17) and CG2(178) at 45.639 68.885 8.574 in (null):V-9999 (24) other bump:2.82384 Ang CG1(102) at 46.5613 66.0428 9.09106 in (null):V-9999 (13) and CG1(177) at 44.373 67.475 10.156 in (null):V-9999 (24) other bump:2.0206 Ang C(64) at 51.332 60.544 13.563 in (null):D-9999 (8) and OE1(95) at 51.9445 60.8302 11.6588 in (null):E-9999 (12) other bump:1.11722 Ang O(63) at 51.779 61.271 12.672 in (null):D-9999 (8) and OE1(95) at 51.9445 60.8302 11.6588 in (null):E-9999 (12) other bump:3.00465 Ang C(64) at 51.332 60.544 13.563 in (null):D-9999 (8) and CD(94) at 53.0418 60.638 11.0941 in (null):E-9999 (12) other bump:2.11785 Ang O(63) at 51.779 61.271 12.672 in (null):D-9999 (8) and CD(94) at 53.0418 60.638 11.0941 in (null):E-9999 (12) other bump:2.00766 Ang OE2(54) at 53.746 62.997 20.923 in (null):E-9999 (7) and NH2(87) at 54.7493 64.2297 19.6964 in (null):R-9999 (11) T0147_twice 194 :HTAFTMGEFEECLKILDAVDFPPERI 1pta 201 :HTAASQRDGEQQAAIFESEGLSPSRV Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.96061 Ang CD2(164) at 47.4338 73.1584 11.5007 in (null):F-9999 (21) and CG2(208) at 44.8798 71.7262 11.938 in (null):I-9999 (26) other bump:2.22349 Ang CE2(166) at 46.2189 73.1091 10.8252 in (null):F-9999 (21) and CG2(208) at 44.8798 71.7262 11.938 in (null):I-9999 (26) other bump:3.11696 Ang CZ(167) at 46.2018 73.0825 9.46247 in (null):F-9999 (21) and CG2(208) at 44.8798 71.7262 11.938 in (null):I-9999 (26) other bump:3.1143 Ang CE2(166) at 46.2189 73.1091 10.8252 in (null):F-9999 (21) and C(203) at 43.461 73.718 9.513 in (null):R-9999 (25) other bump:2.81402 Ang CZ(167) at 46.2018 73.0825 9.46247 in (null):F-9999 (21) and C(203) at 43.461 73.718 9.513 in (null):R-9999 (25) other bump:2.391 Ang CE1(165) at 47.3823 73.139 8.77078 in (null):F-9999 (21) and CB(195) at 45.498 74.596 8.562 in (null):R-9999 (25) other bump:2.80229 Ang CE2(166) at 46.2189 73.1091 10.8252 in (null):F-9999 (21) and CB(195) at 45.498 74.596 8.562 in (null):R-9999 (25) other bump:1.89658 Ang CZ(167) at 46.2018 73.0825 9.46247 in (null):F-9999 (21) and CB(195) at 45.498 74.596 8.562 in (null):R-9999 (25) other bump:2.89876 Ang CZ(167) at 46.2018 73.0825 9.46247 in (null):F-9999 (21) and CA(194) at 44.063 74.975 8.966 in (null):R-9999 (25) neighbor-bump: 2.93657 Ang CE2(166) at 46.2189 73.1091 10.8252 in (null):F-9999 (21) and O(175) at 46.546 75.941 11.53 in (null):P-9999 (22) other bump:2.57335 Ang CB(14) at 38.181 64.884 20.024 in (null):T-9999 (2) and CZ(71) at 36.6968 66.9507 19.6391 in (null):F-9999 (9) other bump:2.25623 Ang CG2(15) at 38.832 66.225 19.709 in (null):T-9999 (2) and CZ(71) at 36.6968 66.9507 19.6391 in (null):F-9999 (9) other bump:2.06046 Ang OG1(16) at 36.739 64.936 20.069 in (null):T-9999 (2) and CZ(71) at 36.6968 66.9507 19.6391 in (null):F-9999 (9) other bump:2.79878 Ang CA(13) at 38.684 63.773 19.085 in (null):T-9999 (2) and CE1(69) at 37.9854 66.4315 19.6119 in (null):F-9999 (9) other bump:1.61328 Ang CB(14) at 38.181 64.884 20.024 in (null):T-9999 (2) and CE1(69) at 37.9854 66.4315 19.6119 in (null):F-9999 (9) other bump:0.876829 Ang CG2(15) at 38.832 66.225 19.709 in (null):T-9999 (2) and CE1(69) at 37.9854 66.4315 19.6119 in (null):F-9999 (9) other bump:1.99969 Ang OG1(16) at 36.739 64.936 20.069 in (null):T-9999 (2) and CE1(69) at 37.9854 66.4315 19.6119 in (null):F-9999 (9) other bump:2.41581 Ang CB(14) at 38.181 64.884 20.024 in (null):T-9999 (2) and CD1(67) at 39.0453 67.1352 20.1695 in (null):F-9999 (9) other bump:1.04215 Ang CG2(15) at 38.832 66.225 19.709 in (null):T-9999 (2) and CD1(67) at 39.0453 67.1352 20.1695 in (null):F-9999 (9) other bump:2.40139 Ang CG2(15) at 38.832 66.225 19.709 in (null):T-9999 (2) and CG(66) at 38.8171 68.3816 20.7651 in (null):F-9999 (9) other bump:2.53242 Ang CA(20) at 39.236 60.632 21.18 in (null):A-9999 (3) and OE2(60) at 41.571 61.3759 21.8184 in (null):E-9999 (8) other bump:1.65089 Ang CB(21) at 40.659 60.064 21.403 in (null):A-9999 (3) and OE2(60) at 41.571 61.3759 21.8184 in (null):E-9999 (8) other bump:2.7609 Ang CA(13) at 38.684 63.773 19.085 in (null):T-9999 (2) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:1.9904 Ang C(18) at 38.334 62.451 19.749 in (null):T-9999 (2) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:0.909437 Ang N(19) at 39.315 61.903 20.479 in (null):A-9999 (3) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:1.73915 Ang CA(20) at 39.236 60.632 21.18 in (null):A-9999 (3) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:2.48719 Ang C(23) at 38.32 60.634 22.426 in (null):A-9999 (3) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:2.45619 Ang CB(21) at 40.659 60.064 21.403 in (null):A-9999 (3) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:3.11573 Ang C(18) at 38.334 62.451 19.749 in (null):T-9999 (2) and CD(58) at 40.7916 62.3026 21.6585 in (null):E-9999 (8) other bump:1.93162 Ang N(19) at 39.315 61.903 20.479 in (null):A-9999 (3) and CD(58) at 40.7916 62.3026 21.6585 in (null):E-9999 (8) other bump:2.33233 Ang CA(20) at 39.236 60.632 21.18 in (null):A-9999 (3) and CD(58) at 40.7916 62.3026 21.6585 in (null):E-9999 (8) other bump:3.07931 Ang C(23) at 38.32 60.634 22.426 in (null):A-9999 (3) and CD(58) at 40.7916 62.3026 21.6585 in (null):E-9999 (8) other bump:2.25706 Ang CB(21) at 40.659 60.064 21.403 in (null):A-9999 (3) and CD(58) at 40.7916 62.3026 21.6585 in (null):E-9999 (8) other bump:1.96716 Ang OG1(39) at 41.0343 62.8465 24.5713 in (null):T-9999 (5) and CB(56) at 40.7503 64.3287 23.3095 in (null):E-9999 (8) other bump:2.78281 Ang OG1(39) at 41.0343 62.8465 24.5713 in (null):T-9999 (5) and CA(55) at 41.495 65.524 23.969 in (null):E-9999 (8) T0147_twice 373 :IISHPGNPK 1pta 227 :CIGHSDDTD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.29345 Ang CA(42) at 28.112 65.273 20.589 in (null):G-9999 (6) and CD(57) at 27.7305 66.0905 23.7565 in (null):P-9999 (8) other bump:2.68703 Ang C(44) at 28.154 66.656 21.164 in (null):G-9999 (6) and CD(57) at 27.7305 66.0905 23.7565 in (null):P-9999 (8) neighbor-bump: 2.06539 Ang N(45) at 27.125 66.938 21.973 in (null):N-9999 (7) and CD(57) at 27.7305 66.0905 23.7565 in (null):P-9999 (8) self-bump: 1.33032 Ang N(53) at 27.946 67.12 24.571 in (null):P-9999 (8) and CD(57) at 27.7305 66.0905 23.7565 in (null):P-9999 (8) self-bump: 2.20485 Ang N(53) at 27.946 67.12 24.571 in (null):P-9999 (8) and CG(56) at 27.6723 64.939 24.7428 in (null):P-9999 (8) T0147_twice 386 :VKAVAEAAAKHQVALEI 1pta 236 :DLSYLTALAARGYLIGL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.82258 Ang C(53) at 39.571 77.188 20.329 in (null):A-9999 (8) and CG1(90) at 39.975 75.6777 17.9789 in (null):V-9999 (13) neighbor-bump: 2.55093 Ang O(76) at 44.033 79.945 17.622 in (null):H-9999 (11) and CG(81) at 43.7815 81.761 15.8483 in (null):Q-9999 (12) neighbor-bump: 2.26312 Ang O(76) at 44.033 79.945 17.622 in (null):H-9999 (11) and CB(80) at 43.3058 80.3524 15.518 in (null):Q-9999 (12) other bump:2.62577 Ang O(47) at 40.502 78.463 22.723 in (null):A-9999 (7) and CD2(72) at 43.0461 77.8217 22.6174 in (null):H-9999 (11) T0147_twice 403 :NNSS 1pta 256 :PHSA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 409 :HSRKGSEDNCREVAAAVRDAGG 1pta 271 :LLGIRSWQTRALLIKALIDQGY Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.07837 Ang O(63) at 18.285 72.04 19.043 in (null):D-9999 (8) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:1.71051 Ang C(64) at 17.712 70.93 19.165 in (null):D-9999 (8) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:2.10727 Ang N(65) at 17.864 70.089 20.218 in (null):N-9999 (9) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:2.02357 Ang CA(66) at 18.771 70.444 21.323 in (null):N-9999 (9) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:2.41559 Ang O(71) at 20.876 71.576 21.131 in (null):N-9999 (9) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:2.15593 Ang C(72) at 20.215 70.591 20.82 in (null):N-9999 (9) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:1.68305 Ang O(63) at 18.285 72.04 19.043 in (null):D-9999 (8) and OE1(95) at 17.2631 73.3726 19.1549 in (null):E-9999 (12) other bump:2.48352 Ang C(64) at 17.712 70.93 19.165 in (null):D-9999 (8) and OE1(95) at 17.2631 73.3726 19.1549 in (null):E-9999 (12) other bump:1.42923 Ang O(63) at 18.285 72.04 19.043 in (null):D-9999 (8) and CD(94) at 18.2282 73.1355 19.9592 in (null):E-9999 (12) other bump:2.4003 Ang C(64) at 17.712 70.93 19.165 in (null):D-9999 (8) and CD(94) at 18.2282 73.1355 19.9592 in (null):E-9999 (12) other bump:3.06573 Ang CA(66) at 18.771 70.444 21.323 in (null):N-9999 (9) and CD(94) at 18.2282 73.1355 19.9592 in (null):E-9999 (12) other bump:2.08726 Ang CG(51) at 17.2695 67.4639 14.9054 in (null):E-9999 (7) and NH2(87) at 16.5036 69.2982 14.2689 in (null):R-9999 (11) other bump:2.84878 Ang CG(51) at 17.2695 67.4639 14.9054 in (null):E-9999 (7) and CZ(85) at 17.4798 70.1332 13.9328 in (null):R-9999 (11) neighbor-bump: 2.50495 Ang CG(21) at 17.7334 61.7529 27.4404 in (null):R-9999 (3) and N(29) at 18.456 60.35 25.495 in (null):K-9999 (4) neighbor-bump: 1.77265 Ang O(16) at 20.797 61.849 27.973 in (null):S-9999 (2) and CB(20) at 19.1065 61.3198 27.9064 in (null):R-9999 (3) neighbor-bump: 2.28494 Ang C(17) at 21.289 60.769 28.299 in (null):S-9999 (2) and CB(20) at 19.1065 61.3198 27.9064 in (null):R-9999 (3) T0147_twice 431 :WVALGSDS 1pta 295 :QILVSNDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0147_twice 443 :TMGEFEECLKILDAVDFPPERILNVSPRRLLNFLESRGMAPIAEF 1pta 303 :LFGFSSYVTNIMDVMDRVNPDGMAFIPLRVIPFLREKGVPQETLA Fragment has 60 clashes (null) has 60 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:1.51557 Ang SD(314) at 22.7549 80.7719 13.3587 in (null):M-9999 (39) and OE2(349) at 22.1554 80.2269 12.0779 in (null):E-9999 (44) other bump:2.43894 Ang CG(313) at 21.8038 82.2927 13.3258 in (null):M-9999 (39) and OE2(349) at 22.1554 80.2269 12.0779 in (null):E-9999 (44) other bump:2.72422 Ang SD(314) at 22.7549 80.7719 13.3587 in (null):M-9999 (39) and CD(347) at 22.0803 79.739 10.9298 in (null):E-9999 (44) other bump:2.74391 Ang CD(164) at 14.2781 67.1461 6.31775 in (null):R-9999 (21) and CD(230) at 13.34 68.273 8.637 in (null):R-9999 (29) other bump:2.35802 Ang NE(165) at 15.1 67.2086 7.4838 in (null):R-9999 (21) and CD(230) at 13.34 68.273 8.637 in (null):R-9999 (29) other bump:2.59551 Ang CZ(166) at 15.8685 68.1077 8.07461 in (null):R-9999 (21) and CD(230) at 13.34 68.273 8.637 in (null):R-9999 (29) other bump:2.91487 Ang NE(165) at 15.1 67.2086 7.4838 in (null):R-9999 (21) and CG(229) at 13.71 69.65 8.261 in (null):R-9999 (29) other bump:2.44494 Ang CZ(166) at 15.8685 68.1077 8.07461 in (null):R-9999 (21) and CB(228) at 14.903 70.143 9.025 in (null):R-9999 (29) other bump:2.90117 Ang NH2(168) at 16.4664 67.7048 9.19076 in (null):R-9999 (21) and CB(228) at 14.903 70.143 9.025 in (null):R-9999 (29) other bump:1.96644 Ang NH1(167) at 16.1141 69.3625 7.68671 in (null):R-9999 (21) and CB(228) at 14.903 70.143 9.025 in (null):R-9999 (29) other bump:2.49912 Ang NH1(167) at 16.1141 69.3625 7.68671 in (null):R-9999 (21) and CA(227) at 15.156 71.533 8.472 in (null):R-9999 (29) other bump:2.1581 Ang NH1(167) at 16.1141 69.3625 7.68671 in (null):R-9999 (21) and N(226) at 15.687 71.402 7.125 in (null):R-9999 (29) other bump:2.4693 Ang CG(163) at 14.311 65.7667 5.66975 in (null):R-9999 (21) and NH1(222) at 14.3465 65.8307 3.20154 in (null):R-9999 (28) other bump:2.5517 Ang CA(161) at 15.744 64.101 4.453 in (null):R-9999 (21) and NH1(222) at 14.3465 65.8307 3.20154 in (null):R-9999 (28) other bump:3.03804 Ang CG(163) at 14.311 65.7667 5.66975 in (null):R-9999 (21) and CZ(221) at 13.4718 66.8013 2.93936 in (null):R-9999 (28) other bump:2.85365 Ang CB(189) at 17.774 67.5282 1.68172 in (null):N-9999 (24) and CD(219) at 15.1918 68.5074 2.40049 in (null):R-9999 (28) other bump:2.88483 Ang NH1(167) at 16.1141 69.3625 7.68671 in (null):R-9999 (21) and C(201) at 18.827 69.035 6.762 in (null):V-9999 (25) other bump:1.99741 Ang NH1(167) at 16.1141 69.3625 7.68671 in (null):R-9999 (21) and O(200) at 18.033 69.773 7.314 in (null):V-9999 (25) other bump:3.04581 Ang CZ(166) at 15.8685 68.1077 8.07461 in (null):R-9999 (21) and CG1(198) at 18.6266 66.9675 8.68235 in (null):V-9999 (25) other bump:2.33847 Ang NH2(168) at 16.4664 67.7048 9.19076 in (null):R-9999 (21) and CG1(198) at 18.6266 66.9675 8.68235 in (null):V-9999 (25) other bump:3.16328 Ang CZ(166) at 15.8685 68.1077 8.07461 in (null):R-9999 (21) and CA(196) at 18.42 67.657 6.26 in (null):V-9999 (25) neighbor-bump: 2.301 Ang CG2(175) at 21.2049 61.8296 2.78994 in (null):I-9999 (22) and N(179) at 20.799 64.094 2.84 in (null):L-9999 (23) self-bump: 1.31825 Ang CA(172) at 19.08 62.535 3.583 in (null):I-9999 (22) and CB(173) at 19.6999 61.7101 2.76261 in (null):I-9999 (22) other bump:2.67462 Ang CE(14) at 17.6384 62.9343 10.2328 in (null):M-9999 (2) and CB(146) at 18.1063 60.9566 8.494 in (null):P-9999 (19) other bump:3.22691 Ang CA(112) at 15.36 51.517 8.374 in (null):V-9999 (15) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) other bump:1.99228 Ang O(116) at 14.273 53.614 8.842 in (null):V-9999 (15) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) other bump:2.34288 Ang C(117) at 14.743 52.556 9.284 in (null):V-9999 (15) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) other bump:2.99169 Ang N(118) at 14.689 52.163 10.557 in (null):D-9999 (16) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) other bump:2.80109 Ang C(125) at 15.188 54.081 11.938 in (null):D-9999 (16) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) neighbor-bump: 2.59466 Ang N(126) at 16.471 53.734 11.703 in (null):F-9999 (17) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) other bump:2.07355 Ang O(116) at 14.273 53.614 8.842 in (null):V-9999 (15) and CG(140) at 15.5039 54.9987 7.91082 in (null):P-9999 (18) other bump:2.90369 Ang C(117) at 14.743 52.556 9.284 in (null):V-9999 (15) and CG(140) at 15.5039 54.9987 7.91082 in (null):P-9999 (18) other bump:2.91089 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CZ(134) at 22.6434 54.7648 13.3149 in (null):F-9999 (17) other bump:2.18267 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CZ(134) at 22.6434 54.7648 13.3149 in (null):F-9999 (17) other bump:2.72788 Ang CD1(94) at 22.2143 51.2197 11.4056 in (null):L-9999 (12) and CE2(133) at 22.5663 53.7531 12.3539 in (null):F-9999 (17) other bump:2.89517 Ang CG(68) at 22.0462 55.1724 9.88471 in (null):L-9999 (9) and CE2(133) at 22.5663 53.7531 12.3539 in (null):F-9999 (17) other bump:2.19325 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CE2(133) at 22.5663 53.7531 12.3539 in (null):F-9999 (17) other bump:2.81647 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CE2(133) at 22.5663 53.7531 12.3539 in (null):F-9999 (17) other bump:2.7505 Ang OE2(27) at 19.1353 56.4746 14.723 in (null):E-9999 (4) and CE1(132) at 21.4744 55.3671 13.7917 in (null):F-9999 (17) other bump:0.989196 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CE1(132) at 21.4744 55.3671 13.7917 in (null):F-9999 (17) other bump:2.56253 Ang CB(23) at 22.1996 57.8016 13.4543 in (null):E-9999 (4) and CE1(132) at 21.4744 55.3671 13.7917 in (null):F-9999 (17) other bump:2.13262 Ang CG(24) at 21.3792 57.3211 14.6406 in (null):E-9999 (4) and CE1(132) at 21.4744 55.3671 13.7917 in (null):F-9999 (17) other bump:1.60082 Ang CD(25) at 20.285 56.3469 14.2254 in (null):E-9999 (4) and CE1(132) at 21.4744 55.3671 13.7917 in (null):F-9999 (17) other bump:2.36024 Ang CD1(94) at 22.2143 51.2197 11.4056 in (null):L-9999 (12) and CD2(131) at 21.3232 53.3539 11.8766 in (null):F-9999 (17) other bump:2.79236 Ang CG(68) at 22.0462 55.1724 9.88471 in (null):L-9999 (9) and CD2(131) at 21.3232 53.3539 11.8766 in (null):F-9999 (17) other bump:1.50773 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CD2(131) at 21.3232 53.3539 11.8766 in (null):F-9999 (17) other bump:2.69293 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CD2(131) at 21.3232 53.3539 11.8766 in (null):F-9999 (17) other bump:2.35273 Ang OE2(27) at 19.1353 56.4746 14.723 in (null):E-9999 (4) and CD1(130) at 20.2334 54.9543 13.3023 in (null):F-9999 (17) other bump:2.65505 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CD1(130) at 20.2334 54.9543 13.3023 in (null):F-9999 (17) other bump:0.604411 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CD1(130) at 20.2334 54.9543 13.3023 in (null):F-9999 (17) other bump:1.67148 Ang CD(25) at 20.285 56.3469 14.2254 in (null):E-9999 (4) and CD1(130) at 20.2334 54.9543 13.3023 in (null):F-9999 (17) other bump:1.84902 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CG(129) at 20.1474 53.9444 12.3429 in (null):F-9999 (17) other bump:1.88269 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CG(129) at 20.1474 53.9444 12.3429 in (null):F-9999 (17) other bump:3.05521 Ang CD(25) at 20.285 56.3469 14.2254 in (null):E-9999 (4) and CG(129) at 20.1474 53.9444 12.3429 in (null):F-9999 (17) other bump:2.68309 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CB(128) at 18.8198 53.4728 11.8295 in (null):F-9999 (17) other bump:2.51415 Ang CE2(37) at 29.9405 56.4568 9.04217 in (null):F-9999 (5) and OE1(55) at 31.8582 55.7658 7.57044 in (null):E-9999 (7) other bump:2.71162 Ang CZ(38) at 30.6009 57.6831 9.01821 in (null):F-9999 (5) and OE1(55) at 31.8582 55.7658 7.57044 in (null):E-9999 (7) other bump:3.10338 Ang CE2(37) at 29.9405 56.4568 9.04217 in (null):F-9999 (5) and CD(54) at 31.5189 54.6771 7.049 in (null):E-9999 (7) other bump:2.78925 Ang CD2(35) at 28.944 56.227 9.97523 in (null):F-9999 (5) and CB(52) at 29.1311 55.456 7.30119 in (null):E-9999 (7) other bump:2.16514 Ang CE2(37) at 29.9405 56.4568 9.04217 in (null):F-9999 (5) and CB(52) at 29.1311 55.456 7.30119 in (null):E-9999 (7) T0147_twice 488 :AD 1pta 360 :PT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 18 total=144 Number of alignments=11 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1pta/T0147_twice-1pta-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1pta read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1pta/T0147_twice-1pta-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1pta in template set T0147_twice 1 :MYP 1pta 36 :RIN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0147_twice 4 :VDLHMHTVAST 1pta 52 :TLTHEHICGSS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.49982 Ang C(66) at 30.465 55.032 0.17 in (null):V-9999 (8) and CB(69) at 32.7893 54.3706 0.809626 in (null):A-9999 (9) neighbor-bump: 2.25893 Ang O(65) at 30.909 55.56 1.2 in (null):V-9999 (8) and CB(69) at 32.7893 54.3706 0.809626 in (null):A-9999 (9) neighbor-bump: 3.22629 Ang CG1(63) at 31.2204 54.396 -2.33109 in (null):V-9999 (8) and CA(68) at 31.771 52.998 0.524 in (null):A-9999 (9) neighbor-bump: 2.24203 Ang CG1(63) at 31.2204 54.396 -2.33109 in (null):V-9999 (8) and N(67) at 30.795 53.8 -0.212 in (null):A-9999 (9) neighbor-bump: 2.26506 Ang CB(19) at 32.2645 68.6453 4.84062 in (null):L-9999 (3) and N(25) at 31.898 66.667 5.881 in (null):H-9999 (4) self-bump: 2.15437 Ang CB(19) at 32.2645 68.6453 4.84062 in (null):L-9999 (3) and C(24) at 30.812 67.427 5.864 in (null):L-9999 (3) self-bump: 1.27505 Ang CA(18) at 31.02 68.733 5.104 in (null):L-9999 (3) and CB(19) at 32.2645 68.6453 4.84062 in (null):L-9999 (3) T0147_twice 15 :H 1pta 64 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 17 :YSTLSDYIAQAK 1pta 73 :FGSRKALAEKAV Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.56533 Ang CA(3) at 25.582 44.75 -0.998 in (null):Y-9999 (1) and OH(58) at 25.3453 47.1778 -1.79211 in (null):Y-9999 (7) other bump:1.6284 Ang C(13) at 25.044 45.609 -2.108 in (null):Y-9999 (1) and OH(58) at 25.3453 47.1778 -1.79211 in (null):Y-9999 (7) other bump:0.669382 Ang O(12) at 24.806 46.806 -1.93 in (null):Y-9999 (1) and OH(58) at 25.3453 47.1778 -1.79211 in (null):Y-9999 (7) other bump:2.60286 Ang CB(16) at 23.8663 47.1083 -3.93281 in (null):S-9999 (2) and OH(58) at 25.3453 47.1778 -1.79211 in (null):Y-9999 (7) other bump:1.8766 Ang OG(17) at 24.95 47.8998 -3.47854 in (null):S-9999 (2) and OH(58) at 25.3453 47.1778 -1.79211 in (null):Y-9999 (7) other bump:2.77452 Ang C(13) at 25.044 45.609 -2.108 in (null):Y-9999 (1) and CZ(57) at 25.5174 48.3038 -2.56843 in (null):Y-9999 (7) other bump:1.7768 Ang O(12) at 24.806 46.806 -1.93 in (null):Y-9999 (1) and CZ(57) at 25.5174 48.3038 -2.56843 in (null):Y-9999 (7) other bump:2.45294 Ang CB(16) at 23.8663 47.1083 -3.93281 in (null):S-9999 (2) and CZ(57) at 25.5174 48.3038 -2.56843 in (null):Y-9999 (7) other bump:1.14604 Ang OG(17) at 24.95 47.8998 -3.47854 in (null):S-9999 (2) and CZ(57) at 25.5174 48.3038 -2.56843 in (null):Y-9999 (7) other bump:2.78551 Ang O(12) at 24.806 46.806 -1.93 in (null):Y-9999 (1) and CE2(56) at 25.2303 49.5565 -2.04655 in (null):Y-9999 (7) other bump:2.20767 Ang OG(17) at 24.95 47.8998 -3.47854 in (null):S-9999 (2) and CE2(56) at 25.2303 49.5565 -2.04655 in (null):Y-9999 (7) other bump:2.74934 Ang C(19) at 25.492 45.947 -5.4 in (null):S-9999 (2) and CE1(55) at 25.9901 48.1703 -3.86124 in (null):Y-9999 (7) other bump:3.24486 Ang C(13) at 25.044 45.609 -2.108 in (null):Y-9999 (1) and CE1(55) at 25.9901 48.1703 -3.86124 in (null):Y-9999 (7) other bump:2.98783 Ang CA(15) at 24.366 45.719 -4.391 in (null):S-9999 (2) and CE1(55) at 25.9901 48.1703 -3.86124 in (null):Y-9999 (7) other bump:2.64444 Ang O(12) at 24.806 46.806 -1.93 in (null):Y-9999 (1) and CE1(55) at 25.9901 48.1703 -3.86124 in (null):Y-9999 (7) other bump:2.37562 Ang CB(16) at 23.8663 47.1083 -3.93281 in (null):S-9999 (2) and CE1(55) at 25.9901 48.1703 -3.86124 in (null):Y-9999 (7) other bump:1.1408 Ang OG(17) at 24.95 47.8998 -3.47854 in (null):S-9999 (2) and CE1(55) at 25.9901 48.1703 -3.86124 in (null):Y-9999 (7) other bump:2.65291 Ang O(25) at 25.824 48.827 -7.231 in (null):T-9999 (3) and CD1(53) at 26.1777 49.3087 -4.64626 in (null):Y-9999 (7) other bump:2.20352 Ang OG(17) at 24.95 47.8998 -3.47854 in (null):S-9999 (2) and CD1(53) at 26.1777 49.3087 -4.64626 in (null):Y-9999 (7) neighbor-bump: 2.67118 Ang C(13) at 25.044 45.609 -2.108 in (null):Y-9999 (1) and OG(17) at 24.95 47.8998 -3.47854 in (null):S-9999 (2) neighbor-bump: 1.90138 Ang O(12) at 24.806 46.806 -1.93 in (null):Y-9999 (1) and OG(17) at 24.95 47.8998 -3.47854 in (null):S-9999 (2) neighbor-bump: 2.63911 Ang C(13) at 25.044 45.609 -2.108 in (null):Y-9999 (1) and CB(16) at 23.8663 47.1083 -3.93281 in (null):S-9999 (2) neighbor-bump: 2.23288 Ang O(12) at 24.806 46.806 -1.93 in (null):Y-9999 (1) and CB(16) at 23.8663 47.1083 -3.93281 in (null):S-9999 (2) T0147_twice 54 :INMR 1pta 85 :RGLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 60 :PRVVDGVGILRGI 1pta 89 :RARAAGVRTIVDV Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.52012 Ang CZ(15) at 25.5413 66.4796 -1.34651 in (null):R-9999 (2) and CD2(70) at 27.0547 67.8394 0.14061 in (null):L-9999 (10) other bump:1.76648 Ang NH1(16) at 26.1438 66.3581 -0.169983 in (null):R-9999 (2) and CD2(70) at 27.0547 67.8394 0.14061 in (null):L-9999 (10) other bump:1.48148 Ang CZ(15) at 25.5413 66.4796 -1.34651 in (null):R-9999 (2) and CD1(69) at 26.9004 65.8921 -1.39864 in (null):L-9999 (10) other bump:1.34007 Ang NH2(17) at 26.0457 65.8895 -2.4308 in (null):R-9999 (2) and CD1(69) at 26.9004 65.8921 -1.39864 in (null):L-9999 (10) other bump:1.51629 Ang NH1(16) at 26.1438 66.3581 -0.169983 in (null):R-9999 (2) and CD1(69) at 26.9004 65.8921 -1.39864 in (null):L-9999 (10) other bump:2.80176 Ang NE(14) at 24.3687 67.0922 -1.41391 in (null):R-9999 (2) and CD1(69) at 26.9004 65.8921 -1.39864 in (null):L-9999 (10) other bump:2.95524 Ang CG(12) at 22.4117 68.2912 -0.768074 in (null):R-9999 (2) and CG2(50) at 22.881 71.12 -0.053 in (null):V-9999 (7) other bump:1.344 Ang O(18) at 20.419 70.389 -2.415 in (null):R-9999 (2) and OD2(39) at 20.0083 70.9951 -1.28794 in (null):D-9999 (5) other bump:2.40407 Ang C(19) at 20.511 69.258 -2.872 in (null):R-9999 (2) and OD2(39) at 20.0083 70.9951 -1.28794 in (null):D-9999 (5) other bump:2.35604 Ang O(18) at 20.419 70.389 -2.415 in (null):R-9999 (2) and CG(37) at 19.0577 70.735 -0.523411 in (null):D-9999 (5) other bump:3.132 Ang C(19) at 20.511 69.258 -2.872 in (null):R-9999 (2) and CG(37) at 19.0577 70.735 -0.523411 in (null):D-9999 (5) T0147_twice 106 :APHDKATNTQAMIATIASGNVHIISHPGNPK 1pta 102 :STFDIGRDVSLLAEVSRAADVHIVAATGLWF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.15673 Ang CG(27) at 41.84 53.462 6.756 in (null):D-9999 (4) and CD(213) at 41.5246 55.3246 7.7966 in (null):P-9999 (30) other bump:1.96442 Ang OD1(28) at 41.629 54.519 6.008 in (null):D-9999 (4) and CD(213) at 41.5246 55.3246 7.7966 in (null):P-9999 (30) other bump:1.87323 Ang OD2(29) at 41.936 53.506 7.977 in (null):D-9999 (4) and CD(213) at 41.5246 55.3246 7.7966 in (null):P-9999 (30) other bump:3.06503 Ang CG(35) at 37.4004 53.4685 7.25995 in (null):K-9999 (5) and CG(212) at 40.0726 54.838 7.8749 in (null):P-9999 (30) other bump:2.50379 Ang CG(27) at 41.84 53.462 6.756 in (null):D-9999 (4) and CG(212) at 40.0726 54.838 7.8749 in (null):P-9999 (30) other bump:2.45141 Ang OD1(28) at 41.629 54.519 6.008 in (null):D-9999 (4) and CG(212) at 40.0726 54.838 7.8749 in (null):P-9999 (30) other bump:2.29279 Ang OD2(29) at 41.936 53.506 7.977 in (null):D-9999 (4) and CG(212) at 40.0726 54.838 7.8749 in (null):P-9999 (30) other bump:2.93724 Ang CE(37) at 36.9815 53.9328 9.69074 in (null):K-9999 (5) and CB(211) at 39.7854 54.7432 9.36113 in (null):P-9999 (30) neighbor-bump: 2.09249 Ang C(189) at 41.09 61.992 1.266 in (null):H-9999 (26) and CD(194) at 42.4462 63.5833 1.18233 in (null):P-9999 (27) other bump:2.47901 Ang CG1(113) at 31.4293 64.1005 -7.49868 in (null):I-9999 (16) and CD1(163) at 30.246 63.816 -5.339 in (null):I-9999 (23) other bump:3.01086 Ang CE(87) at 34.3274 61.688 -2.89715 in (null):M-9999 (12) and CG2(162) at 32.953 64.276 -3.589 in (null):I-9999 (23) other bump:3.08946 Ang CG1(113) at 31.4293 64.1005 -7.49868 in (null):I-9999 (16) and CG1(161) at 30.801 65.06 -4.63 in (null):I-9999 (23) other bump:2.74576 Ang CD1(115) at 32.9219 64.1459 -7.19588 in (null):I-9999 (16) and CB(160) at 32.332 65.124 -4.699 in (null):I-9999 (23) other bump:2.39292 Ang C(6) at 37.634 58.4 3.013 in (null):A-9999 (1) and OG1(50) at 37.8516 56.7086 1.33437 in (null):T-9999 (7) other bump:2.57788 Ang N(7) at 38.304 57.566 3.723 in (null):P-9999 (2) and OG1(50) at 37.8516 56.7086 1.33437 in (null):T-9999 (7) other bump:2.90839 Ang CA(8) at 39.712 57.308 3.488 in (null):P-9999 (2) and OG1(50) at 37.8516 56.7086 1.33437 in (null):T-9999 (7) other bump:2.64174 Ang C(13) at 39.857 55.921 2.863 in (null):P-9999 (2) and OG1(50) at 37.8516 56.7086 1.33437 in (null):T-9999 (7) neighbor-bump: 1.75529 Ang O(39) at 35.209 52.318 3.804 in (null):K-9999 (5) and CB(43) at 34.8323 51.5585 2.26702 in (null):A-9999 (6) neighbor-bump: 2.25812 Ang C(40) at 36.41 52.248 3.728 in (null):K-9999 (5) and CB(43) at 34.8323 51.5585 2.26702 in (null):A-9999 (6) T0147_twice 137 :YEIDVKAVAEAAA 1pta 143 :VEELTQFFLREIQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0147_twice 150 :KHQV 1pta 160 :DTGI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 154 :ALEINNSS 1pta 167 :IIKVATTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0147_twice 164 :HSRKGSEDNCREVAAAVRDAGGWVAL 1pta 175 :KATPFQELVLKAAARASLATGVPVTT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.50924 Ang CZ3(170) at 38.6123 68.7143 6.89372 in (null):W-9999 (23) and CB(183) at 38.618 67.759 9.214 in (null):A-9999 (25) other bump:2.47478 Ang CG2(125) at 47.1769 69.5904 6.76793 in (null):V-9999 (17) and CG2(178) at 45.639 68.885 8.574 in (null):V-9999 (24) other bump:2.82384 Ang CG1(102) at 46.5613 66.0428 9.09106 in (null):V-9999 (13) and CG1(177) at 44.373 67.475 10.156 in (null):V-9999 (24) other bump:2.0206 Ang C(64) at 51.332 60.544 13.563 in (null):D-9999 (8) and OE1(95) at 51.9445 60.8302 11.6588 in (null):E-9999 (12) other bump:1.11722 Ang O(63) at 51.779 61.271 12.672 in (null):D-9999 (8) and OE1(95) at 51.9445 60.8302 11.6588 in (null):E-9999 (12) other bump:3.00465 Ang C(64) at 51.332 60.544 13.563 in (null):D-9999 (8) and CD(94) at 53.0418 60.638 11.0941 in (null):E-9999 (12) other bump:2.11785 Ang O(63) at 51.779 61.271 12.672 in (null):D-9999 (8) and CD(94) at 53.0418 60.638 11.0941 in (null):E-9999 (12) other bump:2.00766 Ang OE2(54) at 53.746 62.997 20.923 in (null):E-9999 (7) and NH2(87) at 54.7493 64.2297 19.6964 in (null):R-9999 (11) T0147_twice 194 :HTAFTMGEFEECLKILDAVDFPPERI 1pta 201 :HTAASQRDGEQQAAIFESEGLSPSRV Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.96061 Ang CD2(164) at 47.4338 73.1584 11.5007 in (null):F-9999 (21) and CG2(208) at 44.8798 71.7262 11.938 in (null):I-9999 (26) other bump:2.22349 Ang CE2(166) at 46.2189 73.1091 10.8252 in (null):F-9999 (21) and CG2(208) at 44.8798 71.7262 11.938 in (null):I-9999 (26) other bump:3.11696 Ang CZ(167) at 46.2018 73.0825 9.46247 in (null):F-9999 (21) and CG2(208) at 44.8798 71.7262 11.938 in (null):I-9999 (26) other bump:3.1143 Ang CE2(166) at 46.2189 73.1091 10.8252 in (null):F-9999 (21) and C(203) at 43.461 73.718 9.513 in (null):R-9999 (25) other bump:2.81402 Ang CZ(167) at 46.2018 73.0825 9.46247 in (null):F-9999 (21) and C(203) at 43.461 73.718 9.513 in (null):R-9999 (25) other bump:2.391 Ang CE1(165) at 47.3823 73.139 8.77078 in (null):F-9999 (21) and CB(195) at 45.498 74.596 8.562 in (null):R-9999 (25) other bump:2.80229 Ang CE2(166) at 46.2189 73.1091 10.8252 in (null):F-9999 (21) and CB(195) at 45.498 74.596 8.562 in (null):R-9999 (25) other bump:1.89658 Ang CZ(167) at 46.2018 73.0825 9.46247 in (null):F-9999 (21) and CB(195) at 45.498 74.596 8.562 in (null):R-9999 (25) other bump:2.89876 Ang CZ(167) at 46.2018 73.0825 9.46247 in (null):F-9999 (21) and CA(194) at 44.063 74.975 8.966 in (null):R-9999 (25) neighbor-bump: 2.93657 Ang CE2(166) at 46.2189 73.1091 10.8252 in (null):F-9999 (21) and O(175) at 46.546 75.941 11.53 in (null):P-9999 (22) other bump:2.57335 Ang CB(14) at 38.181 64.884 20.024 in (null):T-9999 (2) and CZ(71) at 36.6968 66.9507 19.6391 in (null):F-9999 (9) other bump:2.25623 Ang CG2(15) at 38.832 66.225 19.709 in (null):T-9999 (2) and CZ(71) at 36.6968 66.9507 19.6391 in (null):F-9999 (9) other bump:2.06046 Ang OG1(16) at 36.739 64.936 20.069 in (null):T-9999 (2) and CZ(71) at 36.6968 66.9507 19.6391 in (null):F-9999 (9) other bump:2.79878 Ang CA(13) at 38.684 63.773 19.085 in (null):T-9999 (2) and CE1(69) at 37.9854 66.4315 19.6119 in (null):F-9999 (9) other bump:1.61328 Ang CB(14) at 38.181 64.884 20.024 in (null):T-9999 (2) and CE1(69) at 37.9854 66.4315 19.6119 in (null):F-9999 (9) other bump:0.876829 Ang CG2(15) at 38.832 66.225 19.709 in (null):T-9999 (2) and CE1(69) at 37.9854 66.4315 19.6119 in (null):F-9999 (9) other bump:1.99969 Ang OG1(16) at 36.739 64.936 20.069 in (null):T-9999 (2) and CE1(69) at 37.9854 66.4315 19.6119 in (null):F-9999 (9) other bump:2.41581 Ang CB(14) at 38.181 64.884 20.024 in (null):T-9999 (2) and CD1(67) at 39.0453 67.1352 20.1695 in (null):F-9999 (9) other bump:1.04215 Ang CG2(15) at 38.832 66.225 19.709 in (null):T-9999 (2) and CD1(67) at 39.0453 67.1352 20.1695 in (null):F-9999 (9) other bump:2.40139 Ang CG2(15) at 38.832 66.225 19.709 in (null):T-9999 (2) and CG(66) at 38.8171 68.3816 20.7651 in (null):F-9999 (9) other bump:2.53242 Ang CA(20) at 39.236 60.632 21.18 in (null):A-9999 (3) and OE2(60) at 41.571 61.3759 21.8184 in (null):E-9999 (8) other bump:1.65089 Ang CB(21) at 40.659 60.064 21.403 in (null):A-9999 (3) and OE2(60) at 41.571 61.3759 21.8184 in (null):E-9999 (8) other bump:2.7609 Ang CA(13) at 38.684 63.773 19.085 in (null):T-9999 (2) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:1.9904 Ang C(18) at 38.334 62.451 19.749 in (null):T-9999 (2) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:0.909437 Ang N(19) at 39.315 61.903 20.479 in (null):A-9999 (3) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:1.73915 Ang CA(20) at 39.236 60.632 21.18 in (null):A-9999 (3) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:2.48719 Ang C(23) at 38.32 60.634 22.426 in (null):A-9999 (3) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:2.45619 Ang CB(21) at 40.659 60.064 21.403 in (null):A-9999 (3) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:3.11573 Ang C(18) at 38.334 62.451 19.749 in (null):T-9999 (2) and CD(58) at 40.7916 62.3026 21.6585 in (null):E-9999 (8) other bump:1.93162 Ang N(19) at 39.315 61.903 20.479 in (null):A-9999 (3) and CD(58) at 40.7916 62.3026 21.6585 in (null):E-9999 (8) other bump:2.33233 Ang CA(20) at 39.236 60.632 21.18 in (null):A-9999 (3) and CD(58) at 40.7916 62.3026 21.6585 in (null):E-9999 (8) other bump:3.07931 Ang C(23) at 38.32 60.634 22.426 in (null):A-9999 (3) and CD(58) at 40.7916 62.3026 21.6585 in (null):E-9999 (8) other bump:2.25706 Ang CB(21) at 40.659 60.064 21.403 in (null):A-9999 (3) and CD(58) at 40.7916 62.3026 21.6585 in (null):E-9999 (8) other bump:1.96716 Ang OG1(39) at 41.0343 62.8465 24.5713 in (null):T-9999 (5) and CB(56) at 40.7503 64.3287 23.3095 in (null):E-9999 (8) other bump:2.78281 Ang OG1(39) at 41.0343 62.8465 24.5713 in (null):T-9999 (5) and CA(55) at 41.495 65.524 23.969 in (null):E-9999 (8) T0147_twice 373 :IISHPGNPK 1pta 227 :CIGHSDDTD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.29345 Ang CA(42) at 28.112 65.273 20.589 in (null):G-9999 (6) and CD(57) at 27.7305 66.0905 23.7565 in (null):P-9999 (8) other bump:2.68703 Ang C(44) at 28.154 66.656 21.164 in (null):G-9999 (6) and CD(57) at 27.7305 66.0905 23.7565 in (null):P-9999 (8) neighbor-bump: 2.06539 Ang N(45) at 27.125 66.938 21.973 in (null):N-9999 (7) and CD(57) at 27.7305 66.0905 23.7565 in (null):P-9999 (8) self-bump: 1.33032 Ang N(53) at 27.946 67.12 24.571 in (null):P-9999 (8) and CD(57) at 27.7305 66.0905 23.7565 in (null):P-9999 (8) self-bump: 2.20485 Ang N(53) at 27.946 67.12 24.571 in (null):P-9999 (8) and CG(56) at 27.6723 64.939 24.7428 in (null):P-9999 (8) T0147_twice 386 :VKAVAEAAAKHQVALEI 1pta 236 :DLSYLTALAARGYLIGL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.82258 Ang C(53) at 39.571 77.188 20.329 in (null):A-9999 (8) and CG1(90) at 39.975 75.6777 17.9789 in (null):V-9999 (13) neighbor-bump: 2.55093 Ang O(76) at 44.033 79.945 17.622 in (null):H-9999 (11) and CG(81) at 43.7815 81.761 15.8483 in (null):Q-9999 (12) neighbor-bump: 2.26312 Ang O(76) at 44.033 79.945 17.622 in (null):H-9999 (11) and CB(80) at 43.3058 80.3524 15.518 in (null):Q-9999 (12) other bump:2.62577 Ang O(47) at 40.502 78.463 22.723 in (null):A-9999 (7) and CD2(72) at 43.0461 77.8217 22.6174 in (null):H-9999 (11) T0147_twice 403 :NNSS 1pta 256 :PHSA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 409 :HSRKGSEDNCREVAAAVRDAGG 1pta 271 :LLGIRSWQTRALLIKALIDQGY Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.07837 Ang O(63) at 18.285 72.04 19.043 in (null):D-9999 (8) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:1.71051 Ang C(64) at 17.712 70.93 19.165 in (null):D-9999 (8) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:2.10727 Ang N(65) at 17.864 70.089 20.218 in (null):N-9999 (9) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:2.02357 Ang CA(66) at 18.771 70.444 21.323 in (null):N-9999 (9) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:2.41559 Ang O(71) at 20.876 71.576 21.131 in (null):N-9999 (9) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:2.15593 Ang C(72) at 20.215 70.591 20.82 in (null):N-9999 (9) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:1.68305 Ang O(63) at 18.285 72.04 19.043 in (null):D-9999 (8) and OE1(95) at 17.2631 73.3726 19.1549 in (null):E-9999 (12) other bump:2.48352 Ang C(64) at 17.712 70.93 19.165 in (null):D-9999 (8) and OE1(95) at 17.2631 73.3726 19.1549 in (null):E-9999 (12) other bump:1.42923 Ang O(63) at 18.285 72.04 19.043 in (null):D-9999 (8) and CD(94) at 18.2282 73.1355 19.9592 in (null):E-9999 (12) other bump:2.4003 Ang C(64) at 17.712 70.93 19.165 in (null):D-9999 (8) and CD(94) at 18.2282 73.1355 19.9592 in (null):E-9999 (12) other bump:3.06573 Ang CA(66) at 18.771 70.444 21.323 in (null):N-9999 (9) and CD(94) at 18.2282 73.1355 19.9592 in (null):E-9999 (12) other bump:2.08726 Ang CG(51) at 17.2695 67.4639 14.9054 in (null):E-9999 (7) and NH2(87) at 16.5036 69.2982 14.2689 in (null):R-9999 (11) other bump:2.84878 Ang CG(51) at 17.2695 67.4639 14.9054 in (null):E-9999 (7) and CZ(85) at 17.4798 70.1332 13.9328 in (null):R-9999 (11) neighbor-bump: 2.50495 Ang CG(21) at 17.7334 61.7529 27.4404 in (null):R-9999 (3) and N(29) at 18.456 60.35 25.495 in (null):K-9999 (4) neighbor-bump: 1.77265 Ang O(16) at 20.797 61.849 27.973 in (null):S-9999 (2) and CB(20) at 19.1065 61.3198 27.9064 in (null):R-9999 (3) neighbor-bump: 2.28494 Ang C(17) at 21.289 60.769 28.299 in (null):S-9999 (2) and CB(20) at 19.1065 61.3198 27.9064 in (null):R-9999 (3) T0147_twice 431 :WVALGSDS 1pta 295 :QILVSNDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0147_twice 443 :TMGEFEECLKILDAVDFPPERILNVSPRRLLNFLESRGMAPIAEF 1pta 303 :LFGFSSYVTNIMDVMDRVNPDGMAFIPLRVIPFLREKGVPQETLA Fragment has 60 clashes (null) has 60 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:1.51557 Ang SD(314) at 22.7549 80.7719 13.3587 in (null):M-9999 (39) and OE2(349) at 22.1554 80.2269 12.0779 in (null):E-9999 (44) other bump:2.43894 Ang CG(313) at 21.8038 82.2927 13.3258 in (null):M-9999 (39) and OE2(349) at 22.1554 80.2269 12.0779 in (null):E-9999 (44) other bump:2.72422 Ang SD(314) at 22.7549 80.7719 13.3587 in (null):M-9999 (39) and CD(347) at 22.0803 79.739 10.9298 in (null):E-9999 (44) other bump:2.74391 Ang CD(164) at 14.2781 67.1461 6.31775 in (null):R-9999 (21) and CD(230) at 13.34 68.273 8.637 in (null):R-9999 (29) other bump:2.35802 Ang NE(165) at 15.1 67.2086 7.4838 in (null):R-9999 (21) and CD(230) at 13.34 68.273 8.637 in (null):R-9999 (29) other bump:2.59551 Ang CZ(166) at 15.8685 68.1077 8.07461 in (null):R-9999 (21) and CD(230) at 13.34 68.273 8.637 in (null):R-9999 (29) other bump:2.91487 Ang NE(165) at 15.1 67.2086 7.4838 in (null):R-9999 (21) and CG(229) at 13.71 69.65 8.261 in (null):R-9999 (29) other bump:2.44494 Ang CZ(166) at 15.8685 68.1077 8.07461 in (null):R-9999 (21) and CB(228) at 14.903 70.143 9.025 in (null):R-9999 (29) other bump:2.90117 Ang NH2(168) at 16.4664 67.7048 9.19076 in (null):R-9999 (21) and CB(228) at 14.903 70.143 9.025 in (null):R-9999 (29) other bump:1.96644 Ang NH1(167) at 16.1141 69.3625 7.68671 in (null):R-9999 (21) and CB(228) at 14.903 70.143 9.025 in (null):R-9999 (29) other bump:2.49912 Ang NH1(167) at 16.1141 69.3625 7.68671 in (null):R-9999 (21) and CA(227) at 15.156 71.533 8.472 in (null):R-9999 (29) other bump:2.1581 Ang NH1(167) at 16.1141 69.3625 7.68671 in (null):R-9999 (21) and N(226) at 15.687 71.402 7.125 in (null):R-9999 (29) other bump:2.4693 Ang CG(163) at 14.311 65.7667 5.66975 in (null):R-9999 (21) and NH1(222) at 14.3465 65.8307 3.20154 in (null):R-9999 (28) other bump:2.5517 Ang CA(161) at 15.744 64.101 4.453 in (null):R-9999 (21) and NH1(222) at 14.3465 65.8307 3.20154 in (null):R-9999 (28) other bump:3.03804 Ang CG(163) at 14.311 65.7667 5.66975 in (null):R-9999 (21) and CZ(221) at 13.4718 66.8013 2.93936 in (null):R-9999 (28) other bump:2.85365 Ang CB(189) at 17.774 67.5282 1.68172 in (null):N-9999 (24) and CD(219) at 15.1918 68.5074 2.40049 in (null):R-9999 (28) other bump:2.88483 Ang NH1(167) at 16.1141 69.3625 7.68671 in (null):R-9999 (21) and C(201) at 18.827 69.035 6.762 in (null):V-9999 (25) other bump:1.99741 Ang NH1(167) at 16.1141 69.3625 7.68671 in (null):R-9999 (21) and O(200) at 18.033 69.773 7.314 in (null):V-9999 (25) other bump:3.04581 Ang CZ(166) at 15.8685 68.1077 8.07461 in (null):R-9999 (21) and CG1(198) at 18.6266 66.9675 8.68235 in (null):V-9999 (25) other bump:2.33847 Ang NH2(168) at 16.4664 67.7048 9.19076 in (null):R-9999 (21) and CG1(198) at 18.6266 66.9675 8.68235 in (null):V-9999 (25) other bump:3.16328 Ang CZ(166) at 15.8685 68.1077 8.07461 in (null):R-9999 (21) and CA(196) at 18.42 67.657 6.26 in (null):V-9999 (25) neighbor-bump: 2.301 Ang CG2(175) at 21.2049 61.8296 2.78994 in (null):I-9999 (22) and N(179) at 20.799 64.094 2.84 in (null):L-9999 (23) self-bump: 1.31825 Ang CA(172) at 19.08 62.535 3.583 in (null):I-9999 (22) and CB(173) at 19.6999 61.7101 2.76261 in (null):I-9999 (22) other bump:2.67462 Ang CE(14) at 17.6384 62.9343 10.2328 in (null):M-9999 (2) and CB(146) at 18.1063 60.9566 8.494 in (null):P-9999 (19) other bump:3.22691 Ang CA(112) at 15.36 51.517 8.374 in (null):V-9999 (15) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) other bump:1.99228 Ang O(116) at 14.273 53.614 8.842 in (null):V-9999 (15) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) other bump:2.34288 Ang C(117) at 14.743 52.556 9.284 in (null):V-9999 (15) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) other bump:2.99169 Ang N(118) at 14.689 52.163 10.557 in (null):D-9999 (16) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) other bump:2.80109 Ang C(125) at 15.188 54.081 11.938 in (null):D-9999 (16) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) neighbor-bump: 2.59466 Ang N(126) at 16.471 53.734 11.703 in (null):F-9999 (17) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) other bump:2.07355 Ang O(116) at 14.273 53.614 8.842 in (null):V-9999 (15) and CG(140) at 15.5039 54.9987 7.91082 in (null):P-9999 (18) other bump:2.90369 Ang C(117) at 14.743 52.556 9.284 in (null):V-9999 (15) and CG(140) at 15.5039 54.9987 7.91082 in (null):P-9999 (18) other bump:2.91089 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CZ(134) at 22.6434 54.7648 13.3149 in (null):F-9999 (17) other bump:2.18267 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CZ(134) at 22.6434 54.7648 13.3149 in (null):F-9999 (17) other bump:2.72788 Ang CD1(94) at 22.2143 51.2197 11.4056 in (null):L-9999 (12) and CE2(133) at 22.5663 53.7531 12.3539 in (null):F-9999 (17) other bump:2.89517 Ang CG(68) at 22.0462 55.1724 9.88471 in (null):L-9999 (9) and CE2(133) at 22.5663 53.7531 12.3539 in (null):F-9999 (17) other bump:2.19325 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CE2(133) at 22.5663 53.7531 12.3539 in (null):F-9999 (17) other bump:2.81647 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CE2(133) at 22.5663 53.7531 12.3539 in (null):F-9999 (17) other bump:2.7505 Ang OE2(27) at 19.1353 56.4746 14.723 in (null):E-9999 (4) and CE1(132) at 21.4744 55.3671 13.7917 in (null):F-9999 (17) other bump:0.989196 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CE1(132) at 21.4744 55.3671 13.7917 in (null):F-9999 (17) other bump:2.56253 Ang CB(23) at 22.1996 57.8016 13.4543 in (null):E-9999 (4) and CE1(132) at 21.4744 55.3671 13.7917 in (null):F-9999 (17) other bump:2.13262 Ang CG(24) at 21.3792 57.3211 14.6406 in (null):E-9999 (4) and CE1(132) at 21.4744 55.3671 13.7917 in (null):F-9999 (17) other bump:1.60082 Ang CD(25) at 20.285 56.3469 14.2254 in (null):E-9999 (4) and CE1(132) at 21.4744 55.3671 13.7917 in (null):F-9999 (17) other bump:2.36024 Ang CD1(94) at 22.2143 51.2197 11.4056 in (null):L-9999 (12) and CD2(131) at 21.3232 53.3539 11.8766 in (null):F-9999 (17) other bump:2.79236 Ang CG(68) at 22.0462 55.1724 9.88471 in (null):L-9999 (9) and CD2(131) at 21.3232 53.3539 11.8766 in (null):F-9999 (17) other bump:1.50773 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CD2(131) at 21.3232 53.3539 11.8766 in (null):F-9999 (17) other bump:2.69293 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CD2(131) at 21.3232 53.3539 11.8766 in (null):F-9999 (17) other bump:2.35273 Ang OE2(27) at 19.1353 56.4746 14.723 in (null):E-9999 (4) and CD1(130) at 20.2334 54.9543 13.3023 in (null):F-9999 (17) other bump:2.65505 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CD1(130) at 20.2334 54.9543 13.3023 in (null):F-9999 (17) other bump:0.604411 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CD1(130) at 20.2334 54.9543 13.3023 in (null):F-9999 (17) other bump:1.67148 Ang CD(25) at 20.285 56.3469 14.2254 in (null):E-9999 (4) and CD1(130) at 20.2334 54.9543 13.3023 in (null):F-9999 (17) other bump:1.84902 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CG(129) at 20.1474 53.9444 12.3429 in (null):F-9999 (17) other bump:1.88269 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CG(129) at 20.1474 53.9444 12.3429 in (null):F-9999 (17) other bump:3.05521 Ang CD(25) at 20.285 56.3469 14.2254 in (null):E-9999 (4) and CG(129) at 20.1474 53.9444 12.3429 in (null):F-9999 (17) other bump:2.68309 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CB(128) at 18.8198 53.4728 11.8295 in (null):F-9999 (17) other bump:2.51415 Ang CE2(37) at 29.9405 56.4568 9.04217 in (null):F-9999 (5) and OE1(55) at 31.8582 55.7658 7.57044 in (null):E-9999 (7) other bump:2.71162 Ang CZ(38) at 30.6009 57.6831 9.01821 in (null):F-9999 (5) and OE1(55) at 31.8582 55.7658 7.57044 in (null):E-9999 (7) other bump:3.10338 Ang CE2(37) at 29.9405 56.4568 9.04217 in (null):F-9999 (5) and CD(54) at 31.5189 54.6771 7.049 in (null):E-9999 (7) other bump:2.78925 Ang CD2(35) at 28.944 56.227 9.97523 in (null):F-9999 (5) and CB(52) at 29.1311 55.456 7.30119 in (null):E-9999 (7) other bump:2.16514 Ang CE2(37) at 29.9405 56.4568 9.04217 in (null):F-9999 (5) and CB(52) at 29.1311 55.456 7.30119 in (null):E-9999 (7) T0147_twice 488 :AD 1pta 360 :PT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 19 total=163 Number of alignments=12 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1i0dA/T0147_twice-1i0dA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1i0dA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1i0dA/T0147_twice-1i0dA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # adding 1i0dA to template set 1i0dA:Skipped atom 584, because occupancy 0.5 <= existing 0.500001 Skipped atom 586, because occupancy 0.5 <= existing 0.500001 Skipped atom 593, because occupancy 0.5 <= existing 0.500001 Skipped atom 953, because occupancy 0.5 <= existing 0.500001 Skipped atom 955, because occupancy 0.5 <= existing 0.500001 Skipped atom 957, because occupancy 0.5 <= existing 0.500001 Skipped atom 959, because occupancy 0.5 <= existing 0.500001 Skipped atom 961, because occupancy 0.5 <= existing 0.500001 Skipped atom 963, because occupancy 0.5 <= existing 0.500001 Skipped atom 965, because occupancy 0.5 <= existing 0.500001 Skipped atom 967, because occupancy 0.5 <= existing 0.500001 Skipped atom 1246, because occupancy 1 <= existing 1 Skipped atom 1248, because occupancy 1 <= existing 1 Skipped atom 1250, because occupancy 1 <= existing 1 Skipped atom 1442, because occupancy 0.3 <= existing 0.700001 Skipped atom 1561, because occupancy 0.5 <= existing 0.500001 Skipped atom 1587, because occupancy 1 <= existing 1 Skipped atom 1589, because occupancy 1 <= existing 1 Skipped atom 1591, because occupancy 1 <= existing 1 Skipped atom 1997, because occupancy 0.33 <= existing 0.330001 Skipped atom 1998, because occupancy 0.33 <= existing 0.330001 Skipped atom 2000, because occupancy 0.33 <= existing 0.330001 Skipped atom 2001, because occupancy 0.33 <= existing 0.330001 Skipped atom 2003, because occupancy 0.33 <= existing 0.330001 Skipped atom 2004, because occupancy 0.33 <= existing 0.330001 Skipped atom 2006, because occupancy 0.33 <= existing 0.330001 Skipped atom 2007, because occupancy 0.33 <= existing 0.330001 Skipped atom 2512, because occupancy 0.5 <= existing 0.500001 # found chain 1i0dA in template set T0147_twice 3 :PVD 1i0dA 36 :RIN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 6 :LHMHTVAST 1i0dA 54 :THEHICGSS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.7419 Ang O(0) at 37.482 2.603 30.811 in (null):G-9999 (0) and CE(25) at 36.8313 1.04999 31.2571 in (null):M-9999 (3) other bump:2.6405 Ang C(1) at 38.206 3.284 31.56 in (null):G-9999 (0) and CE(25) at 36.8313 1.04999 31.2571 in (null):M-9999 (3) T0147_twice 15 :H 1i0dA 64 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 17 :YSTLSDYIAQA 1i0dA 73 :FGSRKALAEKA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.42489 Ang O(18) at 31.943 -23.875 33.499 in (null):S-9999 (2) and CG2(23) at 29.5452 -23.5175 33.551 in (null):T-9999 (3) neighbor-bump: 2.90762 Ang C(19) at 32.332 -22.739 33.837 in (null):S-9999 (2) and CG2(23) at 29.5452 -23.5175 33.551 in (null):T-9999 (3) neighbor-bump: 2.24444 Ang O(12) at 33.941 -19.869 34.505 in (null):Y-9999 (1) and OG(17) at 32.3252 -20.8097 35.7466 in (null):S-9999 (2) self-bump: 1.32563 Ang CA(15) at 33.431 -22.523 34.854 in (null):S-9999 (2) and CB(16) at 32.8699 -22.0966 35.9767 in (null):S-9999 (2) T0147_twice 56 :MRIW 1i0dA 84 :VRGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 60 :PRVVDGVGILRGI 1i0dA 89 :RARAAGVRTIVDV Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.7496 Ang CG(12) at 33.4954 0.240252 37.9582 in (null):R-9999 (2) and CG2(50) at 33.867 2.964 37.9 in (null):V-9999 (7) other bump:3.08835 Ang NE(14) at 35.1923 0.730787 36.2284 in (null):R-9999 (2) and CG2(50) at 33.867 2.964 37.9 in (null):V-9999 (7) other bump:2.94773 Ang CZ(15) at 34.8184 1.7091 35.4082 in (null):R-9999 (2) and CG2(50) at 33.867 2.964 37.9 in (null):V-9999 (7) other bump:1.12557 Ang NH1(16) at 33.5531 1.81441 35.0127 in (null):R-9999 (2) and CG1(49) at 33.06 2.684 35.53 in (null):V-9999 (7) other bump:2.97479 Ang NE(14) at 35.1923 0.730787 36.2284 in (null):R-9999 (2) and CG1(49) at 33.06 2.684 35.53 in (null):V-9999 (7) other bump:2.01424 Ang CZ(15) at 34.8184 1.7091 35.4082 in (null):R-9999 (2) and CG1(49) at 33.06 2.684 35.53 in (null):V-9999 (7) other bump:2.7013 Ang NH2(17) at 35.7084 2.60413 35.0039 in (null):R-9999 (2) and CG1(49) at 33.06 2.684 35.53 in (null):V-9999 (7) other bump:2.43092 Ang NH1(16) at 33.5531 1.81441 35.0127 in (null):R-9999 (2) and CB(48) at 32.64 2.885 36.995 in (null):V-9999 (7) other bump:2.9418 Ang CG(12) at 33.4954 0.240252 37.9582 in (null):R-9999 (2) and CB(48) at 32.64 2.885 36.995 in (null):V-9999 (7) other bump:2.94043 Ang CZ(15) at 34.8184 1.7091 35.4082 in (null):R-9999 (2) and CB(48) at 32.64 2.885 36.995 in (null):V-9999 (7) other bump:2.82241 Ang CA(10) at 31.982 -0.502 39.887 in (null):R-9999 (2) and OD2(39) at 32.2757 2.19643 40.6604 in (null):D-9999 (5) other bump:1.3005 Ang O(18) at 31.296 1.84 39.883 in (null):R-9999 (2) and OD2(39) at 32.2757 2.19643 40.6604 in (null):D-9999 (5) other bump:2.2465 Ang C(19) at 30.998 0.656 39.64 in (null):R-9999 (2) and OD2(39) at 32.2757 2.19643 40.6604 in (null):D-9999 (5) other bump:3.16289 Ang CA(10) at 31.982 -0.502 39.887 in (null):R-9999 (2) and CG(37) at 32.9328 1.92081 41.6842 in (null):D-9999 (5) other bump:2.43515 Ang O(18) at 31.296 1.84 39.883 in (null):R-9999 (2) and CG(37) at 32.9328 1.92081 41.6842 in (null):D-9999 (5) other bump:3.08576 Ang C(19) at 30.998 0.656 39.64 in (null):R-9999 (2) and CG(37) at 32.9328 1.92081 41.6842 in (null):D-9999 (5) T0147_twice 106 :APHDKATNTQAMIATIASGNVHIISHPGNPK 1i0dA 102 :STFDIGRDVSLLAEVSRAADVHIVAATGLWF Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.42607 Ang CG(27) at 45.427 -10.399 19.225 in (null):D-9999 (4) and CD(213) at 45.3353 -7.97467 19.2194 in (null):P-9999 (30) other bump:1.4666 Ang OD2(29) at 44.735 -9.296 19.008 in (null):D-9999 (4) and CD(213) at 45.3353 -7.97467 19.2194 in (null):P-9999 (30) other bump:2.78341 Ang OD1(28) at 46.576 -10.431 19.637 in (null):D-9999 (4) and CD(213) at 45.3353 -7.97467 19.2194 in (null):P-9999 (30) other bump:2.64502 Ang CG(10) at 43.2215 -6.84186 21.3399 in (null):P-9999 (2) and CG(212) at 45.1825 -8.4809 20.6587 in (null):P-9999 (30) other bump:2.40717 Ang CG(27) at 45.427 -10.399 19.225 in (null):D-9999 (4) and CG(212) at 45.1825 -8.4809 20.6587 in (null):P-9999 (30) other bump:1.89461 Ang OD2(29) at 44.735 -9.296 19.008 in (null):D-9999 (4) and CG(212) at 45.1825 -8.4809 20.6587 in (null):P-9999 (30) other bump:2.60551 Ang OD1(28) at 46.576 -10.431 19.637 in (null):D-9999 (4) and CG(212) at 45.1825 -8.4809 20.6587 in (null):P-9999 (30) other bump:2.8851 Ang CG(27) at 45.427 -10.399 19.225 in (null):D-9999 (4) and CB(211) at 46.6059 -8.6177 21.1643 in (null):P-9999 (30) other bump:2.37101 Ang OD1(28) at 46.576 -10.431 19.637 in (null):D-9999 (4) and CB(211) at 46.6059 -8.6177 21.1643 in (null):P-9999 (30) neighbor-bump: 2.46874 Ang CA(181) at 37.837 -2.122 20.461 in (null):H-9999 (26) and CD(194) at 38.0822 -1.22686 18.1734 in (null):P-9999 (27) neighbor-bump: 2.08505 Ang C(189) at 38.059 -3.005 19.262 in (null):H-9999 (26) and CD(194) at 38.0822 -1.22686 18.1734 in (null):P-9999 (27) other bump:2.28389 Ang CG1(113) at 28.5289 -3.47899 28.0574 in (null):I-9999 (16) and CD1(163) at 30.485 -3.946 29.14 in (null):I-9999 (23) other bump:2.75809 Ang CE(87) at 33.3035 -4.38065 25.1396 in (null):M-9999 (12) and CG2(162) at 32.392 -2.589 27.028 in (null):I-9999 (23) other bump:2.8877 Ang CD1(115) at 28.9825 -3.10881 26.6507 in (null):I-9999 (16) and CG1(161) at 30.644 -2.427 28.912 in (null):I-9999 (23) other bump:2.51205 Ang CG1(113) at 28.5289 -3.47899 28.0574 in (null):I-9999 (16) and CG1(161) at 30.644 -2.427 28.912 in (null):I-9999 (23) other bump:2.46393 Ang CD1(115) at 28.9825 -3.10881 26.6507 in (null):I-9999 (16) and CB(160) at 31.028 -2.013 27.479 in (null):I-9999 (23) other bump:2.95448 Ang CG1(113) at 28.5289 -3.47899 28.0574 in (null):I-9999 (16) and CB(160) at 31.028 -2.013 27.479 in (null):I-9999 (23) other bump:2.54165 Ang CG2(114) at 26.5205 -1.92058 28.219 in (null):I-9999 (16) and O(146) at 27.55 -0.652 30.166 in (null):V-9999 (21) other bump:2.47828 Ang CB(4) at 39.063 -7.571 24.635 in (null):A-9999 (1) and OG1(50) at 38.2772 -8.23553 22.3805 in (null):T-9999 (7) other bump:2.19139 Ang O(5) at 38.879 -6.152 22.066 in (null):A-9999 (1) and OG1(50) at 38.2772 -8.23553 22.3805 in (null):T-9999 (7) other bump:2.36678 Ang C(6) at 39.922 -6.547 22.593 in (null):A-9999 (1) and OG1(50) at 38.2772 -8.23553 22.3805 in (null):T-9999 (7) neighbor-bump: 2.1938 Ang O(39) at 40.637 -12.119 24.458 in (null):K-9999 (5) and CB(43) at 40.0189 -14.0529 23.627 in (null):A-9999 (6) neighbor-bump: 2.46512 Ang C(40) at 41.122 -11.866 23.349 in (null):K-9999 (5) and CB(43) at 40.0189 -14.0529 23.627 in (null):A-9999 (6) other bump:2.74754 Ang CG(10) at 43.2215 -6.84186 21.3399 in (null):P-9999 (2) and CG(35) at 43.455 -8.70038 23.35 in (null):K-9999 (5) other bump:2.2466 Ang CD(11) at 42.2741 -6.98945 22.4983 in (null):P-9999 (2) and CG(35) at 43.455 -8.70038 23.35 in (null):K-9999 (5) other bump:2.8631 Ang CD(11) at 42.2741 -6.98945 22.4983 in (null):P-9999 (2) and CB(34) at 42.2482 -9.59617 23.6822 in (null):K-9999 (5) T0147_twice 137 :YEIDVKAVAEAAA 1i0dA 143 :VEELTQFFLREIQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0147_twice 150 :KHQV 1i0dA 160 :DTGI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 154 :ALEINNSS 1i0dA 167 :IIKVATTG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.06121 Ang O(52) at 58.808 -6.539 23.565 in (null):S-9999 (7) and OG(57) at 60.6593 -6.21784 24.4123 in (null):S-9999 (8) neighbor-bump: 2.68404 Ang C(53) at 58.126 -5.55 23.829 in (null):S-9999 (7) and OG(57) at 60.6593 -6.21784 24.4123 in (null):S-9999 (8) neighbor-bump: 2.06174 Ang O(52) at 58.808 -6.539 23.565 in (null):S-9999 (7) and CB(56) at 60.553 -5.50687 23.1901 in (null):S-9999 (8) neighbor-bump: 2.51003 Ang C(53) at 58.126 -5.55 23.829 in (null):S-9999 (7) and CB(56) at 60.553 -5.50687 23.1901 in (null):S-9999 (8) neighbor-bump: 2.85579 Ang C(31) at 48.705 -2.407 20.541 in (null):I-9999 (4) and CG(35) at 48.8302 -4.3656 22.6155 in (null):N-9999 (5) neighbor-bump: 2.53094 Ang O(30) at 48.482 -2.023 21.723 in (null):I-9999 (4) and CG(35) at 48.8302 -4.3656 22.6155 in (null):N-9999 (5) neighbor-bump: 2.67622 Ang CG2(28) at 49.942 -0.952997 18.6102 in (null):I-9999 (4) and N(32) at 49.799 -3.104 20.196 in (null):N-9999 (5) T0147_twice 164 :HSRKGSEDNCREVAAAVRDAGGWVAL 1i0dA 175 :KATPFQELVLKAAARASLATGVPVTT Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.13004 Ang CE3(167) at 42.4093 4.98838 22.6076 in (null):W-9999 (23) and CB(183) at 44.293 2.768 23.756 in (null):A-9999 (25) other bump:2.12113 Ang CZ3(170) at 42.5307 3.92175 23.5062 in (null):W-9999 (23) and CB(183) at 44.293 2.768 23.756 in (null):A-9999 (25) other bump:2.97891 Ang CH2(171) at 41.3941 3.34656 24.1238 in (null):W-9999 (23) and CB(183) at 44.293 2.768 23.756 in (null):A-9999 (25) other bump:3.14761 Ang CZ3(170) at 42.5307 3.92175 23.5062 in (null):W-9999 (23) and CA(182) at 45.445 3.003 22.751 in (null):A-9999 (25) neighbor-bump: 3.06427 Ang CE3(167) at 42.4093 4.98838 22.6076 in (null):W-9999 (23) and C(180) at 44.878 4.45 20.874 in (null):V-9999 (24) other bump:2.50354 Ang CG2(125) at 43.266 5.42211 15.2456 in (null):V-9999 (17) and CG2(178) at 44.962 4.853 16.997 in (null):V-9999 (24) other bump:3.11199 Ang CG1(102) at 45.7733 2.15315 15.7868 in (null):V-9999 (13) and CG1(177) at 46.43 3.453 18.537 in (null):V-9999 (24) T0147_twice 194 :HTAFTMGEFEECLKILDAVDFPPERI 1i0dA 201 :HTAASQRDGEQQAAIFESEGLSPSRV Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.87894 Ang CD2(103) at 53.2349 9.00564 20.8452 in (null):L-9999 (13) and CD1(209) at 50.5791 8.40504 19.9104 in (null):I-9999 (26) other bump:2.86751 Ang CD2(164) at 48.0759 9.14561 16.4451 in (null):F-9999 (21) and CG2(208) at 47.7715 7.64815 18.8715 in (null):I-9999 (26) other bump:1.92091 Ang CE2(166) at 47.2595 8.94871 17.5538 in (null):F-9999 (21) and CG2(208) at 47.7715 7.64815 18.8715 in (null):I-9999 (26) other bump:2.6145 Ang CZ(167) at 45.9226 8.74463 17.3833 in (null):F-9999 (21) and CG2(208) at 47.7715 7.64815 18.8715 in (null):I-9999 (26) other bump:3.24209 Ang CE2(166) at 47.2595 8.94871 17.5538 in (null):F-9999 (21) and C(203) at 45.09 9.364 19.927 in (null):R-9999 (25) other bump:2.74726 Ang CZ(167) at 45.9226 8.74463 17.3833 in (null):F-9999 (21) and C(203) at 45.09 9.364 19.927 in (null):R-9999 (25) other bump:2.78246 Ang CZ(167) at 45.9226 8.74463 17.3833 in (null):F-9999 (21) and O(202) at 44.519 8.283 19.741 in (null):R-9999 (25) other bump:2.61997 Ang CE1(165) at 45.3909 8.76959 16.1216 in (null):F-9999 (21) and CB(195) at 44.378 10.455 17.853 in (null):R-9999 (25) other bump:2.35198 Ang CZ(167) at 45.9226 8.74463 17.3833 in (null):F-9999 (21) and CB(195) at 44.378 10.455 17.853 in (null):R-9999 (25) other bump:3.08159 Ang CZ(167) at 45.9226 8.74463 17.3833 in (null):F-9999 (21) and CA(194) at 44.53 10.656 19.359 in (null):R-9999 (25) neighbor-bump: 2.83027 Ang CE2(166) at 47.2595 8.94871 17.5538 in (null):F-9999 (21) and O(175) at 47.46 11.771 17.624 in (null):P-9999 (22) other bump:2.26229 Ang CE1(30) at 53.2532 3.18247 29.534 in (null):F-9999 (4) and CZ(71) at 52.558 3.90794 27.5071 in (null):F-9999 (9) other bump:2.80027 Ang CZ(32) at 52.2247 2.27664 29.7586 in (null):F-9999 (4) and CZ(71) at 52.558 3.90794 27.5071 in (null):F-9999 (9) other bump:2.38444 Ang CE1(30) at 53.2532 3.18247 29.534 in (null):F-9999 (4) and CE2(70) at 53.3485 4.93162 27.9163 in (null):F-9999 (9) other bump:2.30792 Ang CG2(15) at 53.667 1.36 25.466 in (null):T-9999 (2) and CE1(69) at 52.7723 3.31819 26.2976 in (null):F-9999 (9) other bump:2.42367 Ang CG2(15) at 53.667 1.36 25.466 in (null):T-9999 (2) and CD1(67) at 53.8282 3.77831 25.4683 in (null):F-9999 (9) other bump:2.73987 Ang CA(20) at 56.822 -2.55 27.864 in (null):A-9999 (3) and OE2(60) at 57.224 -3.27179 25.2517 in (null):E-9999 (8) other bump:2.03082 Ang CB(21) at 57.874 -3.419 27.17 in (null):A-9999 (3) and OE2(60) at 57.224 -3.27179 25.2517 in (null):E-9999 (8) other bump:2.37708 Ang CA(13) at 53.766 -1.122 26.09 in (null):T-9999 (2) and OE1(59) at 55.4558 -2.0356 24.6899 in (null):E-9999 (8) other bump:2.63858 Ang C(18) at 54.489 -1.938 27.143 in (null):T-9999 (2) and OE1(59) at 55.4558 -2.0356 24.6899 in (null):E-9999 (8) other bump:2.30825 Ang N(19) at 55.815 -1.968 26.969 in (null):A-9999 (3) and OE1(59) at 55.4558 -2.0356 24.6899 in (null):E-9999 (8) other bump:3.06288 Ang CA(20) at 56.822 -2.55 27.864 in (null):A-9999 (3) and CD(58) at 56.6899 -2.2254 24.8212 in (null):E-9999 (8) other bump:2.8885 Ang CB(21) at 57.874 -3.419 27.17 in (null):A-9999 (3) and CD(58) at 56.6899 -2.2254 24.8212 in (null):E-9999 (8) other bump:2.33337 Ang N(19) at 55.815 -1.968 26.969 in (null):A-9999 (3) and CD(58) at 56.6899 -2.2254 24.8212 in (null):E-9999 (8) other bump:2.93735 Ang OG1(16) at 53.889 0.667 27.803 in (null):T-9999 (2) and CE2(31) at 52.4949 1.05679 30.3589 in (null):F-9999 (4) T0147_twice 349 :VFAPHDKATNTQAMIATIASGNVHIISHPGNPKYEIDVKAVAEAA 1i0dA 227 :CIGHSDDTDDLSYLTALAARGYLIGLDHIPHSAIGLEDNASASAL Fragment has 105 clashes (null) has 105 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.65365 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and N(332) at 52.614 -9.029 37.528 in (null):G-9999 (46) other bump:2.14445 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and N(327) at 54.087 -11.029 36.102 in (null):A-9999 (45) other bump:2.76591 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and CA(323) at 56.391 -11.516 36.486 in (null):A-9999 (44) other bump:1.88187 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and N(322) at 56.015 -11.853 37.851 in (null):A-9999 (44) other bump:2.11689 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and C(321) at 55.841 -10.918 38.8 in (null):E-9999 (43) other bump:2.4709 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and C(321) at 55.841 -10.918 38.8 in (null):E-9999 (43) other bump:2.62348 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and C(321) at 55.841 -10.918 38.8 in (null):E-9999 (43) other bump:2.60862 Ang CB(236) at 53.6809 -9.71401 42.5176 in (null):K-9999 (33) and OE2(319) at 54.7524 -11.683 43.8518 in (null):E-9999 (43) other bump:2.25714 Ang O(270) at 54.818 -13.717 44.828 in (null):I-9999 (36) and OE2(319) at 54.7524 -11.683 43.8518 in (null):E-9999 (43) other bump:2.47659 Ang C(271) at 54.782 -13.088 45.891 in (null):I-9999 (36) and OE2(319) at 54.7524 -11.683 43.8518 in (null):E-9999 (43) other bump:2.36355 Ang CB(236) at 53.6809 -9.71401 42.5176 in (null):K-9999 (33) and OE1(318) at 55.9699 -10.0816 42.9779 in (null):E-9999 (43) other bump:2.61668 Ang CB(236) at 53.6809 -9.71401 42.5176 in (null):K-9999 (33) and CD(317) at 55.6839 -11.2867 43.119 in (null):E-9999 (43) other bump:3.07826 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and CB(315) at 56.7325 -11.917 40.9032 in (null):E-9999 (43) other bump:2.52479 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and CA(314) at 55.464 -11.48 40.149 in (null):E-9999 (43) other bump:3.04201 Ang CG(237) at 52.9554 -10.1184 41.201 in (null):K-9999 (33) and CA(314) at 55.464 -11.48 40.149 in (null):E-9999 (43) other bump:1.6848 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and CA(314) at 55.464 -11.48 40.149 in (null):E-9999 (43) other bump:2.54819 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and CA(314) at 55.464 -11.48 40.149 in (null):E-9999 (43) other bump:2.11832 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and N(313) at 54.536 -12.59 40.021 in (null):E-9999 (43) other bump:3.1622 Ang CG(237) at 52.9554 -10.1184 41.201 in (null):K-9999 (33) and N(313) at 54.536 -12.59 40.021 in (null):E-9999 (43) other bump:1.81051 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and N(313) at 54.536 -12.59 40.021 in (null):E-9999 (43) other bump:2.19603 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and N(313) at 54.536 -12.59 40.021 in (null):E-9999 (43) other bump:1.73466 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and C(312) at 53.327 -12.347 39.518 in (null):A-9999 (42) other bump:2.81732 Ang CG(237) at 52.9554 -10.1184 41.201 in (null):K-9999 (33) and C(312) at 53.327 -12.347 39.518 in (null):A-9999 (42) other bump:1.71526 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and C(312) at 53.327 -12.347 39.518 in (null):A-9999 (42) other bump:1.29973 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and C(312) at 53.327 -12.347 39.518 in (null):A-9999 (42) other bump:1.76906 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and O(311) at 52.978 -11.225 39.169 in (null):A-9999 (42) other bump:2.31393 Ang CG(237) at 52.9554 -10.1184 41.201 in (null):K-9999 (33) and O(311) at 52.978 -11.225 39.169 in (null):A-9999 (42) other bump:1.48022 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and O(311) at 52.978 -11.225 39.169 in (null):A-9999 (42) other bump:0.34016 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and O(311) at 52.978 -11.225 39.169 in (null):A-9999 (42) other bump:2.7277 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and CA(309) at 52.4 -13.521 39.416 in (null):A-9999 (42) other bump:3.11646 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and CA(309) at 52.4 -13.521 39.416 in (null):A-9999 (42) other bump:2.52752 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and CA(309) at 52.4 -13.521 39.416 in (null):A-9999 (42) neighbor-bump: 3.07431 Ang C(263) at 53.095 -11.681 48.676 in (null):E-9999 (35) and CG1(267) at 50.8698 -12.6971 46.8139 in (null):I-9999 (36) neighbor-bump: 2.0115 Ang O(253) at 51.904 -8.609 47.779 in (null):Y-9999 (34) and CB(257) at 51.6815 -9.69842 49.4552 in (null):E-9999 (35) neighbor-bump: 2.49581 Ang C(254) at 53.127 -8.587 47.751 in (null):Y-9999 (34) and CB(257) at 51.6815 -9.69842 49.4552 in (null):E-9999 (35) other bump:2.08909 Ang O(217) at 47.11 -4.268 42.001 in (null):G-9999 (30) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) other bump:2.44937 Ang C(218) at 47.177 -3.316 41.185 in (null):G-9999 (30) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) neighbor-bump: 2.53071 Ang N(219) at 47.969 -3.29 40.11 in (null):N-9999 (31) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) neighbor-bump: 2.22635 Ang CA(220) at 48.824 -4.429 39.805 in (null):N-9999 (31) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) neighbor-bump: 2.37181 Ang O(225) at 50.92 -3.662 40.578 in (null):N-9999 (31) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) neighbor-bump: 1.56746 Ang C(226) at 50.046 -4.505 40.688 in (null):N-9999 (31) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) neighbor-bump: 2.42463 Ang O(225) at 50.92 -3.662 40.578 in (null):N-9999 (31) and CG(230) at 50.116 -3.6352 42.8653 in (null):P-9999 (32) neighbor-bump: 2.34563 Ang C(226) at 50.046 -4.505 40.688 in (null):N-9999 (31) and CG(230) at 50.116 -3.6352 42.8653 in (null):P-9999 (32) other bump:2.84979 Ang CA(199) at 48.028 -0.756 36.083 in (null):H-9999 (28) and ND2(223) at 47.767 -3.50995 36.7678 in (null):N-9999 (31) other bump:2.80034 Ang C(197) at 46.516 0.474 34.673 in (null):S-9999 (27) and CD(212) at 46.388 1.36329 37.3253 in (null):P-9999 (29) neighbor-bump: 2.50441 Ang N(198) at 47.655 0.447 35.369 in (null):H-9999 (28) and CD(212) at 46.388 1.36329 37.3253 in (null):P-9999 (29) other bump:2.25004 Ang CE(55) at 51.8216 -2.67512 31.9774 in (null):K-9999 (7) and CE1(204) at 49.955 -3.544 32.885 in (null):H-9999 (28) other bump:2.28829 Ang CE(55) at 51.8216 -2.67512 31.9774 in (null):K-9999 (7) and ND1(203) at 50.397 -2.648 33.768 in (null):H-9999 (28) other bump:3.4922 Ang NZ(56) at 51.7272 -3.18407 30.5839 in (null):K-9999 (7) and ND1(203) at 50.397 -2.648 33.768 in (null):H-9999 (28) other bump:1.95752 Ang CG2(180) at 46.0124 3.79732 30.1569 in (null):I-9999 (25) and OG(195) at 45.4938 2.75309 31.7293 in (null):S-9999 (27) other bump:2.79639 Ang CB(44) at 51.386 3.4 36.173 in (null):D-9999 (6) and CG2(188) at 49.2423 5.18328 36.3829 in (null):I-9999 (26) other bump:3.01365 Ang CD2(170) at 51.2039 8.21284 32.3729 in (null):H-9999 (24) and CG1(187) at 49.6756 6.92919 34.631 in (null):I-9999 (26) other bump:3.1241 Ang NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) and CG1(187) at 49.6756 6.92919 34.631 in (null):I-9999 (26) other bump:2.84588 Ang CB(4) at 45.8543 6.32707 25.352 in (null):V-9999 (1) and CD1(181) at 45.8191 6.18712 28.1943 in (null):I-9999 (25) other bump:1.45112 Ang CG1(5) at 46.1612 5.95061 26.804 in (null):V-9999 (1) and CD1(181) at 45.8191 6.18712 28.1943 in (null):I-9999 (25) other bump:1.7265 Ang CG1(5) at 46.1612 5.95061 26.804 in (null):V-9999 (1) and CG1(179) at 46.8002 5.03421 28.1203 in (null):I-9999 (25) other bump:2.5035 Ang CB(34) at 52.0368 5.1723 31.1392 in (null):H-9999 (5) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:0.570299 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:1.55399 Ang CG(35) at 52.8058 6.40892 31.5062 in (null):H-9999 (5) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:2.76133 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:1.90282 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:2.17936 Ang CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:1.73799 Ang CB(34) at 52.0368 5.1723 31.1392 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:1.10958 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:3.00223 Ang CA(33) at 52.804 3.772 31.541 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:0.406136 Ang CG(35) at 52.8058 6.40892 31.5062 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:1.50813 Ang ND1(37) at 53.991 6.76497 30.8896 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:2.14869 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:1.99552 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:2.94287 Ang CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:2.41013 Ang CB(34) at 52.0368 5.1723 31.1392 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:1.97714 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:1.6121 Ang CG(35) at 52.8058 6.40892 31.5062 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:2.02697 Ang ND1(37) at 53.991 6.76497 30.8896 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:2.52004 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:2.49385 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:1.61816 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and CD2(170) at 51.2039 8.21284 32.3729 in (null):H-9999 (24) other bump:2.56347 Ang CG(35) at 52.8058 6.40892 31.5062 in (null):H-9999 (5) and CD2(170) at 51.2039 8.21284 32.3729 in (null):H-9999 (24) other bump:2.41273 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CD2(170) at 51.2039 8.21284 32.3729 in (null):H-9999 (24) other bump:2.60416 Ang CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) and CD2(170) at 51.2039 8.21284 32.3729 in (null):H-9999 (24) other bump:2.21219 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and CG(169) at 51.2447 8.41998 31.0371 in (null):H-9999 (24) other bump:2.58869 Ang CG(35) at 52.8058 6.40892 31.5062 in (null):H-9999 (5) and CG(169) at 51.2447 8.41998 31.0371 in (null):H-9999 (24) other bump:2.73406 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CG(169) at 51.2447 8.41998 31.0371 in (null):H-9999 (24) other bump:2.98211 Ang CG2(6) at 44.7412 7.42403 25.3174 in (null):V-9999 (1) and CG1(162) at 45.7586 9.49112 27.2108 in (null):V-9999 (23) other bump:2.29615 Ang CE2(16) at 52.2779 8.36286 22.7073 in (null):F-9999 (2) and OD1(156) at 51.7163 10.3472 21.6977 in (null):N-9999 (22) other bump:2.76127 Ang CG2(124) at 54.1168 10.0678 25.0415 in (null):T-9999 (17) and ND2(155) at 53.4833 11.3364 22.6721 in (null):N-9999 (22) other bump:2.49462 Ang CE2(16) at 52.2779 8.36286 22.7073 in (null):F-9999 (2) and CG(154) at 52.2469 10.8572 22.6885 in (null):N-9999 (22) other bump:3.10743 Ang CG2(124) at 54.1168 10.0678 25.0415 in (null):T-9999 (17) and CG(154) at 52.2469 10.8572 22.6885 in (null):N-9999 (22) other bump:3.0224 Ang CE2(16) at 52.2779 8.36286 22.7073 in (null):F-9999 (2) and CB(153) at 51.4966 10.9836 23.9942 in (null):N-9999 (22) other bump:1.91945 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) other bump:2.6319 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) other bump:1.41512 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) other bump:3.02198 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and SD(104) at 55.0556 7.93246 34.0777 in (null):M-9999 (14) other bump:2.70569 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and SD(104) at 55.0556 7.93246 34.0777 in (null):M-9999 (14) other bump:2.24325 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and SD(104) at 55.0556 7.93246 34.0777 in (null):M-9999 (14) other bump:1.72226 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and CG(103) at 55.8158 8.15722 32.459 in (null):M-9999 (14) other bump:2.20299 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CG(103) at 55.8158 8.15722 32.459 in (null):M-9999 (14) other bump:2.2476 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and CB(102) at 55.7708 9.61386 31.9906 in (null):M-9999 (14) other bump:2.5777 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CB(102) at 55.7708 9.61386 31.9906 in (null):M-9999 (14) other bump:2.89786 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and CA(101) at 56.451 9.837 30.683 in (null):M-9999 (14) other bump:2.63418 Ang CB(27) at 50.3482 -0.654383 31.1499 in (null):P-9999 (4) and CE(55) at 51.8216 -2.67512 31.9774 in (null):K-9999 (7) neighbor-bump: 2.46083 Ang CB(22) at 48.571 1.12607 27.3124 in (null):A-9999 (3) and CD(29) at 50.1257 0.171974 28.9642 in (null):P-9999 (4) neighbor-bump: 2.13912 Ang O(23) at 51.552 1.646 28.357 in (null):A-9999 (3) and CD(29) at 50.1257 0.171974 28.9642 in (null):P-9999 (4) neighbor-bump: 1.62942 Ang C(24) at 50.398 1.768 28.781 in (null):A-9999 (3) and CD(29) at 50.1257 0.171974 28.9642 in (null):P-9999 (4) self-bump: 2.22075 Ang CA(26) at 50.716 0.715 31.035 in (null):P-9999 (4) and CD(29) at 50.1257 0.171974 28.9642 in (null):P-9999 (4) T0147_twice 410 :SRKGSEDNCREVAAAVRDAGG 1i0dA 272 :LGIRSWQTRALLIKALIDQGY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 2.49001 Ang O(6) at 52.964 -5.738 39.114 in (null):S-9999 (1) and CG(11) at 54.6941 -4.39011 37.935 in (null):R-9999 (2) neighbor-bump: 2.01906 Ang O(6) at 52.964 -5.738 39.114 in (null):S-9999 (1) and CB(10) at 54.8125 -4.95676 39.3365 in (null):R-9999 (2) neighbor-bump: 2.54333 Ang C(7) at 53.27 -6.914 38.828 in (null):S-9999 (1) and CB(10) at 54.8125 -4.95676 39.3365 in (null):R-9999 (2) T0147_twice 431 :WVALGSDSHTAFT 1i0dA 295 :QILVSNDWLFGFS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 2.17332 Ang CB(79) at 38.1687 -15.3162 33.3604 in (null):A-9999 (11) and C(81) at 39.555 -13.835 32.581 in (null):A-9999 (11) self-bump: 1.22172 Ang CA(78) at 38.213 -14.104 33.215 in (null):A-9999 (11) and CB(79) at 38.1687 -15.3162 33.3604 in (null):A-9999 (11) T0147_twice 448 :EECLKILDAVDFPPERILNVSPRRLLNFLESRGMAP 1i0dA 308 :SYVTNIMDVMDRVNPDGMAFIPLRVIPFLREKGVPQ Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.92218 Ang CZ(127) at 40.132 0.31396 46.2113 in (null):R-9999 (16) and CD(191) at 40.727 1.53 48.801 in (null):R-9999 (24) other bump:2.64607 Ang NE(126) at 39.5673 -0.815101 46.6043 in (null):R-9999 (16) and CG(190) at 40.997 1.299 47.303 in (null):R-9999 (24) other bump:1.70596 Ang CZ(127) at 40.132 0.31396 46.2113 in (null):R-9999 (16) and CG(190) at 40.997 1.299 47.303 in (null):R-9999 (24) other bump:1.71748 Ang NH2(129) at 41.4446 0.25833 46.0121 in (null):R-9999 (16) and CG(190) at 40.997 1.299 47.303 in (null):R-9999 (24) other bump:2.7084 Ang CZ(127) at 40.132 0.31396 46.2113 in (null):R-9999 (16) and CB(189) at 41.79 2.415 46.626 in (null):R-9999 (24) other bump:2.50742 Ang NH1(128) at 39.5455 1.49436 45.992 in (null):R-9999 (16) and CB(189) at 41.79 2.415 46.626 in (null):R-9999 (24) other bump:2.2688 Ang NH2(129) at 41.4446 0.25833 46.0121 in (null):R-9999 (16) and CB(189) at 41.79 2.415 46.626 in (null):R-9999 (24) other bump:2.09238 Ang NH1(128) at 39.5455 1.49436 45.992 in (null):R-9999 (16) and N(187) at 39.743 3.574 45.873 in (null):R-9999 (24) other bump:2.54785 Ang NH1(128) at 39.5455 1.49436 45.992 in (null):R-9999 (16) and C(186) at 38.618 3.803 46.541 in (null):R-9999 (23) other bump:2.17852 Ang CB(123) at 38.1548 -2.87567 44.9979 in (null):R-9999 (16) and NH1(183) at 36.2899 -2.5327 46.0706 in (null):R-9999 (23) other bump:1.78795 Ang CG(124) at 38.0139 -2.70475 46.5122 in (null):R-9999 (16) and NH1(183) at 36.2899 -2.5327 46.0706 in (null):R-9999 (23) other bump:2.49433 Ang CD(125) at 38.2523 -1.26065 46.938 in (null):R-9999 (16) and NH1(183) at 36.2899 -2.5327 46.0706 in (null):R-9999 (23) other bump:2.48087 Ang CG(124) at 38.0139 -2.70475 46.5122 in (null):R-9999 (16) and CZ(182) at 35.7962 -1.69805 46.9846 in (null):R-9999 (23) other bump:2.4952 Ang CD(125) at 38.2523 -1.26065 46.938 in (null):R-9999 (16) and CZ(182) at 35.7962 -1.69805 46.9846 in (null):R-9999 (23) other bump:2.99669 Ang CB(150) at 35.0996 -0.793185 42.5401 in (null):N-9999 (19) and CD(180) at 35.3334 0.137105 45.3791 in (null):R-9999 (23) other bump:2.65368 Ang NH1(128) at 39.5455 1.49436 45.992 in (null):R-9999 (16) and CB(178) at 36.9388 1.99121 45.9793 in (null):R-9999 (23) neighbor-bump: 2.31591 Ang CG2(136) at 38.5344 -5.54909 38.6287 in (null):I-9999 (17) and N(140) at 37.576 -3.557 39.319 in (null):L-9999 (18) other bump:2.85286 Ang OD2(84) at 39.474 -10.731 40.575 in (null):D-9999 (11) and CD1(137) at 37.9883 -8.49038 39.6204 in (null):I-9999 (17) self-bump: 1.33858 Ang CA(133) at 38.53 -5.063 40.959 in (null):I-9999 (17) and CB(134) at 38.2168 -5.98392 40.0394 in (null):I-9999 (17) other bump:2.10699 Ang O(96) at 43.644 -9.944 47.27 in (null):F-9999 (12) and OE2(118) at 41.9004 -9.68976 48.4252 in (null):E-9999 (15) other bump:2.55202 Ang O(77) at 43.434 -9.735 42.449 in (null):V-9999 (10) and CD(109) at 44.3187 -7.46713 43.215 in (null):P-9999 (14) self-bump: 2.25706 Ang CA(106) at 42.658 -6.596 44.471 in (null):P-9999 (14) and CD(109) at 44.3187 -7.46713 43.215 in (null):P-9999 (14) neighbor-bump: 2.76474 Ang CB(100) at 46.2943 -9.12535 44.2106 in (null):P-9999 (13) and CD(109) at 44.3187 -7.46713 43.215 in (null):P-9999 (14) self-bump: 2.13828 Ang CA(106) at 42.658 -6.596 44.471 in (null):P-9999 (14) and CG(108) at 43.8289 -6.1163 42.7473 in (null):P-9999 (14) other bump:2.74701 Ang C(71) at 45.228 -13.204 42.381 in (null):A-9999 (9) and CD(102) at 45.0637 -11.1606 44.2095 in (null):P-9999 (13) other bump:3.21831 Ang CA(73) at 44.574 -11.306 41.032 in (null):V-9999 (10) and CD(102) at 45.0637 -11.1606 44.2095 in (null):P-9999 (13) other bump:2.90079 Ang C(78) at 43.392 -10.823 41.863 in (null):V-9999 (10) and CD(102) at 45.0637 -11.1606 44.2095 in (null):P-9999 (13) other bump:1.59617 Ang O(70) at 45.37 -12.478 43.362 in (null):A-9999 (9) and CD(102) at 45.0637 -11.1606 44.2095 in (null):P-9999 (13) other bump:3.28028 Ang C(71) at 45.228 -13.204 42.381 in (null):A-9999 (9) and CG(101) at 46.4457 -10.5917 43.9474 in (null):P-9999 (13) other bump:2.24895 Ang O(70) at 45.37 -12.478 43.362 in (null):A-9999 (9) and CG(101) at 46.4457 -10.5917 43.9474 in (null):P-9999 (13) other bump:2.93969 Ang CD(15) at 47.1023 -13.6381 33.6094 in (null):E-9999 (2) and CG2(47) at 45.669 -15.65 35.203 in (null):I-9999 (6) other bump:2.4771 Ang OE1(16) at 47.5154 -14.0725 34.7146 in (null):E-9999 (2) and CG2(47) at 45.669 -15.65 35.203 in (null):I-9999 (6) other bump:3.08905 Ang CD(15) at 47.1023 -13.6381 33.6094 in (null):E-9999 (2) and CG1(46) at 47.057 -14.134 36.658 in (null):I-9999 (6) other bump:1.99763 Ang OE1(16) at 47.5154 -14.0725 34.7146 in (null):E-9999 (2) and CG1(46) at 47.057 -14.134 36.658 in (null):I-9999 (6) other bump:2.43579 Ang OE1(16) at 47.5154 -14.0725 34.7146 in (null):E-9999 (2) and CB(45) at 46.612 -15.578 36.403 in (null):I-9999 (6) neighbor-bump: 2.46408 Ang CB(28) at 44.6023 -21.5119 34.9386 in (null):L-9999 (4) and N(34) at 44.582 -20.15 36.992 in (null):K-9999 (5) self-bump: 2.19041 Ang CB(28) at 44.6023 -21.5119 34.9386 in (null):L-9999 (4) and C(33) at 45.734 -20.603 36.579 in (null):L-9999 (4) self-bump: 1.26044 Ang CA(27) at 45.805 -21.209 35.163 in (null):L-9999 (4) and CB(28) at 44.6023 -21.5119 34.9386 in (null):L-9999 (4) T0147_twice 485 :AEFAD 1i0dA 360 :PTLRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 17 total=180 Number of alignments=13 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1i0dA/T0147_twice-1i0dA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1i0dA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1i0dA/T0147_twice-1i0dA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1i0dA in template set T0147_twice 3 :PVD 1i0dA 36 :RIN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 6 :LHMHTVAST 1i0dA 54 :THEHICGSS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.7419 Ang O(0) at 37.482 2.603 30.811 in (null):G-9999 (0) and CE(25) at 36.8313 1.04999 31.2571 in (null):M-9999 (3) other bump:2.6405 Ang C(1) at 38.206 3.284 31.56 in (null):G-9999 (0) and CE(25) at 36.8313 1.04999 31.2571 in (null):M-9999 (3) T0147_twice 15 :H 1i0dA 64 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 17 :YSTLSDYIAQAKQ 1i0dA 73 :FGSRKALAEKAVR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.42489 Ang O(18) at 31.943 -23.875 33.499 in (null):S-9999 (2) and CG2(23) at 29.5452 -23.5175 33.551 in (null):T-9999 (3) neighbor-bump: 2.90762 Ang C(19) at 32.332 -22.739 33.837 in (null):S-9999 (2) and CG2(23) at 29.5452 -23.5175 33.551 in (null):T-9999 (3) neighbor-bump: 2.24444 Ang O(12) at 33.941 -19.869 34.505 in (null):Y-9999 (1) and OG(17) at 32.3252 -20.8097 35.7466 in (null):S-9999 (2) self-bump: 1.32563 Ang CA(15) at 33.431 -22.523 34.854 in (null):S-9999 (2) and CB(16) at 32.8699 -22.0966 35.9767 in (null):S-9999 (2) T0147_twice 45 :EDAPHHW 1i0dA 86 :GLRRARA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:3.02318 Ang CG(27) at 30.043 -4.872 43.493 in (null):P-9999 (4) and NE1(59) at 30.3034 -1.90524 44.0127 in (null):W-9999 (7) other bump:2.23578 Ang CA(25) at 29.876 -2.807 42.012 in (null):P-9999 (4) and NE1(59) at 30.3034 -1.90524 44.0127 in (null):W-9999 (7) other bump:2.4978 Ang C(30) at 30.671 -1.577 41.564 in (null):P-9999 (4) and NE1(59) at 30.3034 -1.90524 44.0127 in (null):W-9999 (7) other bump:2.35759 Ang CB(26) at 30.795 -3.805 42.706 in (null):P-9999 (4) and NE1(59) at 30.3034 -1.90524 44.0127 in (null):W-9999 (7) other bump:2.23413 Ang O(29) at 30.777 -0.56 42.293 in (null):P-9999 (4) and NE1(59) at 30.3034 -1.90524 44.0127 in (null):W-9999 (7) other bump:2.65856 Ang O(29) at 30.777 -0.56 42.293 in (null):P-9999 (4) and CE2(57) at 30.7308 -0.963426 44.9204 in (null):W-9999 (7) other bump:2.11481 Ang CA(25) at 29.876 -2.807 42.012 in (null):P-9999 (4) and CD1(55) at 29.1279 -1.44706 43.4484 in (null):W-9999 (7) other bump:2.43908 Ang C(30) at 30.671 -1.577 41.564 in (null):P-9999 (4) and CD1(55) at 29.1279 -1.44706 43.4484 in (null):W-9999 (7) other bump:2.98166 Ang CB(26) at 30.795 -3.805 42.706 in (null):P-9999 (4) and CD1(55) at 29.1279 -1.44706 43.4484 in (null):W-9999 (7) other bump:2.20033 Ang O(29) at 30.777 -0.56 42.293 in (null):P-9999 (4) and CD1(55) at 29.1279 -1.44706 43.4484 in (null):W-9999 (7) T0147_twice 60 :PRVVDGVGI 1i0dA 93 :AGVRTIVDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0147_twice 106 :APHDKATNTQAMIATIASGNVHIISHPGNPK 1i0dA 102 :STFDIGRDVSLLAEVSRAADVHIVAATGLWF Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.42607 Ang CG(27) at 45.427 -10.399 19.225 in (null):D-9999 (4) and CD(213) at 45.3353 -7.97467 19.2194 in (null):P-9999 (30) other bump:1.4666 Ang OD2(29) at 44.735 -9.296 19.008 in (null):D-9999 (4) and CD(213) at 45.3353 -7.97467 19.2194 in (null):P-9999 (30) other bump:2.78341 Ang OD1(28) at 46.576 -10.431 19.637 in (null):D-9999 (4) and CD(213) at 45.3353 -7.97467 19.2194 in (null):P-9999 (30) other bump:2.64502 Ang CG(10) at 43.2215 -6.84186 21.3399 in (null):P-9999 (2) and CG(212) at 45.1825 -8.4809 20.6587 in (null):P-9999 (30) other bump:2.40717 Ang CG(27) at 45.427 -10.399 19.225 in (null):D-9999 (4) and CG(212) at 45.1825 -8.4809 20.6587 in (null):P-9999 (30) other bump:1.89461 Ang OD2(29) at 44.735 -9.296 19.008 in (null):D-9999 (4) and CG(212) at 45.1825 -8.4809 20.6587 in (null):P-9999 (30) other bump:2.60551 Ang OD1(28) at 46.576 -10.431 19.637 in (null):D-9999 (4) and CG(212) at 45.1825 -8.4809 20.6587 in (null):P-9999 (30) other bump:2.8851 Ang CG(27) at 45.427 -10.399 19.225 in (null):D-9999 (4) and CB(211) at 46.6059 -8.6177 21.1643 in (null):P-9999 (30) other bump:2.37101 Ang OD1(28) at 46.576 -10.431 19.637 in (null):D-9999 (4) and CB(211) at 46.6059 -8.6177 21.1643 in (null):P-9999 (30) neighbor-bump: 2.46874 Ang CA(181) at 37.837 -2.122 20.461 in (null):H-9999 (26) and CD(194) at 38.0822 -1.22686 18.1734 in (null):P-9999 (27) neighbor-bump: 2.08505 Ang C(189) at 38.059 -3.005 19.262 in (null):H-9999 (26) and CD(194) at 38.0822 -1.22686 18.1734 in (null):P-9999 (27) other bump:2.28389 Ang CG1(113) at 28.5289 -3.47899 28.0574 in (null):I-9999 (16) and CD1(163) at 30.485 -3.946 29.14 in (null):I-9999 (23) other bump:2.75809 Ang CE(87) at 33.3035 -4.38065 25.1396 in (null):M-9999 (12) and CG2(162) at 32.392 -2.589 27.028 in (null):I-9999 (23) other bump:2.8877 Ang CD1(115) at 28.9825 -3.10881 26.6507 in (null):I-9999 (16) and CG1(161) at 30.644 -2.427 28.912 in (null):I-9999 (23) other bump:2.51205 Ang CG1(113) at 28.5289 -3.47899 28.0574 in (null):I-9999 (16) and CG1(161) at 30.644 -2.427 28.912 in (null):I-9999 (23) other bump:2.46393 Ang CD1(115) at 28.9825 -3.10881 26.6507 in (null):I-9999 (16) and CB(160) at 31.028 -2.013 27.479 in (null):I-9999 (23) other bump:2.95448 Ang CG1(113) at 28.5289 -3.47899 28.0574 in (null):I-9999 (16) and CB(160) at 31.028 -2.013 27.479 in (null):I-9999 (23) other bump:2.54165 Ang CG2(114) at 26.5205 -1.92058 28.219 in (null):I-9999 (16) and O(146) at 27.55 -0.652 30.166 in (null):V-9999 (21) other bump:2.47828 Ang CB(4) at 39.063 -7.571 24.635 in (null):A-9999 (1) and OG1(50) at 38.2772 -8.23553 22.3805 in (null):T-9999 (7) other bump:2.19139 Ang O(5) at 38.879 -6.152 22.066 in (null):A-9999 (1) and OG1(50) at 38.2772 -8.23553 22.3805 in (null):T-9999 (7) other bump:2.36678 Ang C(6) at 39.922 -6.547 22.593 in (null):A-9999 (1) and OG1(50) at 38.2772 -8.23553 22.3805 in (null):T-9999 (7) neighbor-bump: 2.1938 Ang O(39) at 40.637 -12.119 24.458 in (null):K-9999 (5) and CB(43) at 40.0189 -14.0529 23.627 in (null):A-9999 (6) neighbor-bump: 2.46512 Ang C(40) at 41.122 -11.866 23.349 in (null):K-9999 (5) and CB(43) at 40.0189 -14.0529 23.627 in (null):A-9999 (6) other bump:2.74754 Ang CG(10) at 43.2215 -6.84186 21.3399 in (null):P-9999 (2) and CG(35) at 43.455 -8.70038 23.35 in (null):K-9999 (5) other bump:2.2466 Ang CD(11) at 42.2741 -6.98945 22.4983 in (null):P-9999 (2) and CG(35) at 43.455 -8.70038 23.35 in (null):K-9999 (5) other bump:2.8631 Ang CD(11) at 42.2741 -6.98945 22.4983 in (null):P-9999 (2) and CB(34) at 42.2482 -9.59617 23.6822 in (null):K-9999 (5) T0147_twice 137 :YEIDVKAVAEAAAK 1i0dA 143 :VEELTQFFLREIQY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0147_twice 151 :HQVALEINNSS 1i0dA 164 :RAGIIKVATTG Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.06121 Ang O(78) at 58.808 -6.539 23.565 in (null):S-9999 (10) and OG(83) at 60.6593 -6.21784 24.4123 in (null):S-9999 (11) neighbor-bump: 2.68404 Ang C(79) at 58.126 -5.55 23.829 in (null):S-9999 (10) and OG(83) at 60.6593 -6.21784 24.4123 in (null):S-9999 (11) neighbor-bump: 2.06174 Ang O(78) at 58.808 -6.539 23.565 in (null):S-9999 (10) and CB(82) at 60.553 -5.50687 23.1901 in (null):S-9999 (11) neighbor-bump: 2.51003 Ang C(79) at 58.126 -5.55 23.829 in (null):S-9999 (10) and CB(82) at 60.553 -5.50687 23.1901 in (null):S-9999 (11) neighbor-bump: 2.53094 Ang O(56) at 48.482 -2.023 21.723 in (null):I-9999 (7) and CG(61) at 48.8302 -4.3656 22.6155 in (null):N-9999 (8) neighbor-bump: 2.85579 Ang C(57) at 48.705 -2.407 20.541 in (null):I-9999 (7) and CG(61) at 48.8302 -4.3656 22.6155 in (null):N-9999 (8) neighbor-bump: 2.67622 Ang CG2(54) at 49.942 -0.952997 18.6102 in (null):I-9999 (7) and N(58) at 49.799 -3.104 20.196 in (null):N-9999 (8) other bump:2.52074 Ang CG(15) at 36.9149 -0.326156 17.8345 in (null):Q-9999 (2) and O(31) at 39.083 0.401 18.895 in (null):A-9999 (4) other bump:2.20367 Ang CD(16) at 38.1512 -1.1966 17.6969 in (null):Q-9999 (2) and O(31) at 39.083 0.401 18.895 in (null):A-9999 (4) T0147_twice 164 :HSRKGSEDNCREVAAAVRDAGGWVAL 1i0dA 175 :KATPFQELVLKAAARASLATGVPVTT Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.13004 Ang CE3(167) at 42.4093 4.98838 22.6076 in (null):W-9999 (23) and CB(183) at 44.293 2.768 23.756 in (null):A-9999 (25) other bump:2.12113 Ang CZ3(170) at 42.5307 3.92175 23.5062 in (null):W-9999 (23) and CB(183) at 44.293 2.768 23.756 in (null):A-9999 (25) other bump:2.97891 Ang CH2(171) at 41.3941 3.34656 24.1238 in (null):W-9999 (23) and CB(183) at 44.293 2.768 23.756 in (null):A-9999 (25) other bump:3.14761 Ang CZ3(170) at 42.5307 3.92175 23.5062 in (null):W-9999 (23) and CA(182) at 45.445 3.003 22.751 in (null):A-9999 (25) neighbor-bump: 3.06427 Ang CE3(167) at 42.4093 4.98838 22.6076 in (null):W-9999 (23) and C(180) at 44.878 4.45 20.874 in (null):V-9999 (24) other bump:2.50354 Ang CG2(125) at 43.266 5.42211 15.2456 in (null):V-9999 (17) and CG2(178) at 44.962 4.853 16.997 in (null):V-9999 (24) other bump:3.11199 Ang CG1(102) at 45.7733 2.15315 15.7868 in (null):V-9999 (13) and CG1(177) at 46.43 3.453 18.537 in (null):V-9999 (24) T0147_twice 194 :HTAFTMGEFEECLKILDAVDFPPERI 1i0dA 201 :HTAASQRDGEQQAAIFESEGLSPSRV Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.87894 Ang CD2(103) at 53.2349 9.00564 20.8452 in (null):L-9999 (13) and CD1(209) at 50.5791 8.40504 19.9104 in (null):I-9999 (26) other bump:2.86751 Ang CD2(164) at 48.0759 9.14561 16.4451 in (null):F-9999 (21) and CG2(208) at 47.7715 7.64815 18.8715 in (null):I-9999 (26) other bump:1.92091 Ang CE2(166) at 47.2595 8.94871 17.5538 in (null):F-9999 (21) and CG2(208) at 47.7715 7.64815 18.8715 in (null):I-9999 (26) other bump:2.6145 Ang CZ(167) at 45.9226 8.74463 17.3833 in (null):F-9999 (21) and CG2(208) at 47.7715 7.64815 18.8715 in (null):I-9999 (26) other bump:3.24209 Ang CE2(166) at 47.2595 8.94871 17.5538 in (null):F-9999 (21) and C(203) at 45.09 9.364 19.927 in (null):R-9999 (25) other bump:2.74726 Ang CZ(167) at 45.9226 8.74463 17.3833 in (null):F-9999 (21) and C(203) at 45.09 9.364 19.927 in (null):R-9999 (25) other bump:2.78246 Ang CZ(167) at 45.9226 8.74463 17.3833 in (null):F-9999 (21) and O(202) at 44.519 8.283 19.741 in (null):R-9999 (25) other bump:2.61997 Ang CE1(165) at 45.3909 8.76959 16.1216 in (null):F-9999 (21) and CB(195) at 44.378 10.455 17.853 in (null):R-9999 (25) other bump:2.35198 Ang CZ(167) at 45.9226 8.74463 17.3833 in (null):F-9999 (21) and CB(195) at 44.378 10.455 17.853 in (null):R-9999 (25) other bump:3.08159 Ang CZ(167) at 45.9226 8.74463 17.3833 in (null):F-9999 (21) and CA(194) at 44.53 10.656 19.359 in (null):R-9999 (25) neighbor-bump: 2.83027 Ang CE2(166) at 47.2595 8.94871 17.5538 in (null):F-9999 (21) and O(175) at 47.46 11.771 17.624 in (null):P-9999 (22) other bump:2.26229 Ang CE1(30) at 53.2532 3.18247 29.534 in (null):F-9999 (4) and CZ(71) at 52.558 3.90794 27.5071 in (null):F-9999 (9) other bump:2.80027 Ang CZ(32) at 52.2247 2.27664 29.7586 in (null):F-9999 (4) and CZ(71) at 52.558 3.90794 27.5071 in (null):F-9999 (9) other bump:2.38444 Ang CE1(30) at 53.2532 3.18247 29.534 in (null):F-9999 (4) and CE2(70) at 53.3485 4.93162 27.9163 in (null):F-9999 (9) other bump:2.30792 Ang CG2(15) at 53.667 1.36 25.466 in (null):T-9999 (2) and CE1(69) at 52.7723 3.31819 26.2976 in (null):F-9999 (9) other bump:2.42367 Ang CG2(15) at 53.667 1.36 25.466 in (null):T-9999 (2) and CD1(67) at 53.8282 3.77831 25.4683 in (null):F-9999 (9) other bump:2.73987 Ang CA(20) at 56.822 -2.55 27.864 in (null):A-9999 (3) and OE2(60) at 57.224 -3.27179 25.2517 in (null):E-9999 (8) other bump:2.03082 Ang CB(21) at 57.874 -3.419 27.17 in (null):A-9999 (3) and OE2(60) at 57.224 -3.27179 25.2517 in (null):E-9999 (8) other bump:2.37708 Ang CA(13) at 53.766 -1.122 26.09 in (null):T-9999 (2) and OE1(59) at 55.4558 -2.0356 24.6899 in (null):E-9999 (8) other bump:2.63858 Ang C(18) at 54.489 -1.938 27.143 in (null):T-9999 (2) and OE1(59) at 55.4558 -2.0356 24.6899 in (null):E-9999 (8) other bump:2.30825 Ang N(19) at 55.815 -1.968 26.969 in (null):A-9999 (3) and OE1(59) at 55.4558 -2.0356 24.6899 in (null):E-9999 (8) other bump:3.06288 Ang CA(20) at 56.822 -2.55 27.864 in (null):A-9999 (3) and CD(58) at 56.6899 -2.2254 24.8212 in (null):E-9999 (8) other bump:2.8885 Ang CB(21) at 57.874 -3.419 27.17 in (null):A-9999 (3) and CD(58) at 56.6899 -2.2254 24.8212 in (null):E-9999 (8) other bump:2.33337 Ang N(19) at 55.815 -1.968 26.969 in (null):A-9999 (3) and CD(58) at 56.6899 -2.2254 24.8212 in (null):E-9999 (8) other bump:2.93735 Ang OG1(16) at 53.889 0.667 27.803 in (null):T-9999 (2) and CE2(31) at 52.4949 1.05679 30.3589 in (null):F-9999 (4) T0147_twice 349 :VFAPHDKATNTQAMIATIASGNVHIISHPGNPKYEIDVKAVAEAA 1i0dA 227 :CIGHSDDTDDLSYLTALAARGYLIGLDHIPHSAIGLEDNASASAL Fragment has 105 clashes (null) has 105 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.65365 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and N(332) at 52.614 -9.029 37.528 in (null):G-9999 (46) other bump:2.14445 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and N(327) at 54.087 -11.029 36.102 in (null):A-9999 (45) other bump:2.76591 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and CA(323) at 56.391 -11.516 36.486 in (null):A-9999 (44) other bump:1.88187 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and N(322) at 56.015 -11.853 37.851 in (null):A-9999 (44) other bump:2.11689 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and C(321) at 55.841 -10.918 38.8 in (null):E-9999 (43) other bump:2.4709 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and C(321) at 55.841 -10.918 38.8 in (null):E-9999 (43) other bump:2.62348 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and C(321) at 55.841 -10.918 38.8 in (null):E-9999 (43) other bump:2.60862 Ang CB(236) at 53.6809 -9.71401 42.5176 in (null):K-9999 (33) and OE2(319) at 54.7524 -11.683 43.8518 in (null):E-9999 (43) other bump:2.25714 Ang O(270) at 54.818 -13.717 44.828 in (null):I-9999 (36) and OE2(319) at 54.7524 -11.683 43.8518 in (null):E-9999 (43) other bump:2.47659 Ang C(271) at 54.782 -13.088 45.891 in (null):I-9999 (36) and OE2(319) at 54.7524 -11.683 43.8518 in (null):E-9999 (43) other bump:2.36355 Ang CB(236) at 53.6809 -9.71401 42.5176 in (null):K-9999 (33) and OE1(318) at 55.9699 -10.0816 42.9779 in (null):E-9999 (43) other bump:2.61668 Ang CB(236) at 53.6809 -9.71401 42.5176 in (null):K-9999 (33) and CD(317) at 55.6839 -11.2867 43.119 in (null):E-9999 (43) other bump:3.07826 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and CB(315) at 56.7325 -11.917 40.9032 in (null):E-9999 (43) other bump:2.52479 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and CA(314) at 55.464 -11.48 40.149 in (null):E-9999 (43) other bump:3.04201 Ang CG(237) at 52.9554 -10.1184 41.201 in (null):K-9999 (33) and CA(314) at 55.464 -11.48 40.149 in (null):E-9999 (43) other bump:1.6848 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and CA(314) at 55.464 -11.48 40.149 in (null):E-9999 (43) other bump:2.54819 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and CA(314) at 55.464 -11.48 40.149 in (null):E-9999 (43) other bump:2.11832 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and N(313) at 54.536 -12.59 40.021 in (null):E-9999 (43) other bump:3.1622 Ang CG(237) at 52.9554 -10.1184 41.201 in (null):K-9999 (33) and N(313) at 54.536 -12.59 40.021 in (null):E-9999 (43) other bump:1.81051 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and N(313) at 54.536 -12.59 40.021 in (null):E-9999 (43) other bump:2.19603 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and N(313) at 54.536 -12.59 40.021 in (null):E-9999 (43) other bump:1.73466 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and C(312) at 53.327 -12.347 39.518 in (null):A-9999 (42) other bump:2.81732 Ang CG(237) at 52.9554 -10.1184 41.201 in (null):K-9999 (33) and C(312) at 53.327 -12.347 39.518 in (null):A-9999 (42) other bump:1.71526 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and C(312) at 53.327 -12.347 39.518 in (null):A-9999 (42) other bump:1.29973 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and C(312) at 53.327 -12.347 39.518 in (null):A-9999 (42) other bump:1.76906 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and O(311) at 52.978 -11.225 39.169 in (null):A-9999 (42) other bump:2.31393 Ang CG(237) at 52.9554 -10.1184 41.201 in (null):K-9999 (33) and O(311) at 52.978 -11.225 39.169 in (null):A-9999 (42) other bump:1.48022 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and O(311) at 52.978 -11.225 39.169 in (null):A-9999 (42) other bump:0.34016 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and O(311) at 52.978 -11.225 39.169 in (null):A-9999 (42) other bump:2.7277 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and CA(309) at 52.4 -13.521 39.416 in (null):A-9999 (42) other bump:3.11646 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and CA(309) at 52.4 -13.521 39.416 in (null):A-9999 (42) other bump:2.52752 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and CA(309) at 52.4 -13.521 39.416 in (null):A-9999 (42) neighbor-bump: 3.07431 Ang C(263) at 53.095 -11.681 48.676 in (null):E-9999 (35) and CG1(267) at 50.8698 -12.6971 46.8139 in (null):I-9999 (36) neighbor-bump: 2.0115 Ang O(253) at 51.904 -8.609 47.779 in (null):Y-9999 (34) and CB(257) at 51.6815 -9.69842 49.4552 in (null):E-9999 (35) neighbor-bump: 2.49581 Ang C(254) at 53.127 -8.587 47.751 in (null):Y-9999 (34) and CB(257) at 51.6815 -9.69842 49.4552 in (null):E-9999 (35) other bump:2.08909 Ang O(217) at 47.11 -4.268 42.001 in (null):G-9999 (30) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) other bump:2.44937 Ang C(218) at 47.177 -3.316 41.185 in (null):G-9999 (30) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) neighbor-bump: 2.53071 Ang N(219) at 47.969 -3.29 40.11 in (null):N-9999 (31) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) neighbor-bump: 2.22635 Ang CA(220) at 48.824 -4.429 39.805 in (null):N-9999 (31) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) neighbor-bump: 2.37181 Ang O(225) at 50.92 -3.662 40.578 in (null):N-9999 (31) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) neighbor-bump: 1.56746 Ang C(226) at 50.046 -4.505 40.688 in (null):N-9999 (31) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) neighbor-bump: 2.42463 Ang O(225) at 50.92 -3.662 40.578 in (null):N-9999 (31) and CG(230) at 50.116 -3.6352 42.8653 in (null):P-9999 (32) neighbor-bump: 2.34563 Ang C(226) at 50.046 -4.505 40.688 in (null):N-9999 (31) and CG(230) at 50.116 -3.6352 42.8653 in (null):P-9999 (32) other bump:2.84979 Ang CA(199) at 48.028 -0.756 36.083 in (null):H-9999 (28) and ND2(223) at 47.767 -3.50995 36.7678 in (null):N-9999 (31) other bump:2.80034 Ang C(197) at 46.516 0.474 34.673 in (null):S-9999 (27) and CD(212) at 46.388 1.36329 37.3253 in (null):P-9999 (29) neighbor-bump: 2.50441 Ang N(198) at 47.655 0.447 35.369 in (null):H-9999 (28) and CD(212) at 46.388 1.36329 37.3253 in (null):P-9999 (29) other bump:2.25004 Ang CE(55) at 51.8216 -2.67512 31.9774 in (null):K-9999 (7) and CE1(204) at 49.955 -3.544 32.885 in (null):H-9999 (28) other bump:2.28829 Ang CE(55) at 51.8216 -2.67512 31.9774 in (null):K-9999 (7) and ND1(203) at 50.397 -2.648 33.768 in (null):H-9999 (28) other bump:3.4922 Ang NZ(56) at 51.7272 -3.18407 30.5839 in (null):K-9999 (7) and ND1(203) at 50.397 -2.648 33.768 in (null):H-9999 (28) other bump:1.95752 Ang CG2(180) at 46.0124 3.79732 30.1569 in (null):I-9999 (25) and OG(195) at 45.4938 2.75309 31.7293 in (null):S-9999 (27) other bump:2.79639 Ang CB(44) at 51.386 3.4 36.173 in (null):D-9999 (6) and CG2(188) at 49.2423 5.18328 36.3829 in (null):I-9999 (26) other bump:3.01365 Ang CD2(170) at 51.2039 8.21284 32.3729 in (null):H-9999 (24) and CG1(187) at 49.6756 6.92919 34.631 in (null):I-9999 (26) other bump:3.1241 Ang NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) and CG1(187) at 49.6756 6.92919 34.631 in (null):I-9999 (26) other bump:2.84588 Ang CB(4) at 45.8543 6.32707 25.352 in (null):V-9999 (1) and CD1(181) at 45.8191 6.18712 28.1943 in (null):I-9999 (25) other bump:1.45112 Ang CG1(5) at 46.1612 5.95061 26.804 in (null):V-9999 (1) and CD1(181) at 45.8191 6.18712 28.1943 in (null):I-9999 (25) other bump:1.7265 Ang CG1(5) at 46.1612 5.95061 26.804 in (null):V-9999 (1) and CG1(179) at 46.8002 5.03421 28.1203 in (null):I-9999 (25) other bump:2.5035 Ang CB(34) at 52.0368 5.1723 31.1392 in (null):H-9999 (5) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:0.570299 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:1.55399 Ang CG(35) at 52.8058 6.40892 31.5062 in (null):H-9999 (5) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:2.76133 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:1.90282 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:2.17936 Ang CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:1.73799 Ang CB(34) at 52.0368 5.1723 31.1392 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:1.10958 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:3.00223 Ang CA(33) at 52.804 3.772 31.541 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:0.406136 Ang CG(35) at 52.8058 6.40892 31.5062 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:1.50813 Ang ND1(37) at 53.991 6.76497 30.8896 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:2.14869 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:1.99552 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:2.94287 Ang CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:2.41013 Ang CB(34) at 52.0368 5.1723 31.1392 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:1.97714 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:1.6121 Ang CG(35) at 52.8058 6.40892 31.5062 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:2.02697 Ang ND1(37) at 53.991 6.76497 30.8896 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:2.52004 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:2.49385 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:1.61816 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and CD2(170) at 51.2039 8.21284 32.3729 in (null):H-9999 (24) other bump:2.56347 Ang CG(35) at 52.8058 6.40892 31.5062 in (null):H-9999 (5) and CD2(170) at 51.2039 8.21284 32.3729 in (null):H-9999 (24) other bump:2.41273 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CD2(170) at 51.2039 8.21284 32.3729 in (null):H-9999 (24) other bump:2.60416 Ang CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) and CD2(170) at 51.2039 8.21284 32.3729 in (null):H-9999 (24) other bump:2.21219 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and CG(169) at 51.2447 8.41998 31.0371 in (null):H-9999 (24) other bump:2.58869 Ang CG(35) at 52.8058 6.40892 31.5062 in (null):H-9999 (5) and CG(169) at 51.2447 8.41998 31.0371 in (null):H-9999 (24) other bump:2.73406 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CG(169) at 51.2447 8.41998 31.0371 in (null):H-9999 (24) other bump:2.98211 Ang CG2(6) at 44.7412 7.42403 25.3174 in (null):V-9999 (1) and CG1(162) at 45.7586 9.49112 27.2108 in (null):V-9999 (23) other bump:2.29615 Ang CE2(16) at 52.2779 8.36286 22.7073 in (null):F-9999 (2) and OD1(156) at 51.7163 10.3472 21.6977 in (null):N-9999 (22) other bump:2.76127 Ang CG2(124) at 54.1168 10.0678 25.0415 in (null):T-9999 (17) and ND2(155) at 53.4833 11.3364 22.6721 in (null):N-9999 (22) other bump:2.49462 Ang CE2(16) at 52.2779 8.36286 22.7073 in (null):F-9999 (2) and CG(154) at 52.2469 10.8572 22.6885 in (null):N-9999 (22) other bump:3.10743 Ang CG2(124) at 54.1168 10.0678 25.0415 in (null):T-9999 (17) and CG(154) at 52.2469 10.8572 22.6885 in (null):N-9999 (22) other bump:3.0224 Ang CE2(16) at 52.2779 8.36286 22.7073 in (null):F-9999 (2) and CB(153) at 51.4966 10.9836 23.9942 in (null):N-9999 (22) other bump:1.91945 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) other bump:2.6319 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) other bump:1.41512 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) other bump:3.02198 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and SD(104) at 55.0556 7.93246 34.0777 in (null):M-9999 (14) other bump:2.70569 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and SD(104) at 55.0556 7.93246 34.0777 in (null):M-9999 (14) other bump:2.24325 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and SD(104) at 55.0556 7.93246 34.0777 in (null):M-9999 (14) other bump:1.72226 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and CG(103) at 55.8158 8.15722 32.459 in (null):M-9999 (14) other bump:2.20299 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CG(103) at 55.8158 8.15722 32.459 in (null):M-9999 (14) other bump:2.2476 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and CB(102) at 55.7708 9.61386 31.9906 in (null):M-9999 (14) other bump:2.5777 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CB(102) at 55.7708 9.61386 31.9906 in (null):M-9999 (14) other bump:2.89786 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and CA(101) at 56.451 9.837 30.683 in (null):M-9999 (14) other bump:2.63418 Ang CB(27) at 50.3482 -0.654383 31.1499 in (null):P-9999 (4) and CE(55) at 51.8216 -2.67512 31.9774 in (null):K-9999 (7) neighbor-bump: 2.46083 Ang CB(22) at 48.571 1.12607 27.3124 in (null):A-9999 (3) and CD(29) at 50.1257 0.171974 28.9642 in (null):P-9999 (4) neighbor-bump: 2.13912 Ang O(23) at 51.552 1.646 28.357 in (null):A-9999 (3) and CD(29) at 50.1257 0.171974 28.9642 in (null):P-9999 (4) neighbor-bump: 1.62942 Ang C(24) at 50.398 1.768 28.781 in (null):A-9999 (3) and CD(29) at 50.1257 0.171974 28.9642 in (null):P-9999 (4) self-bump: 2.22075 Ang CA(26) at 50.716 0.715 31.035 in (null):P-9999 (4) and CD(29) at 50.1257 0.171974 28.9642 in (null):P-9999 (4) T0147_twice 410 :SRKGSEDNCREVAAAVRDAGG 1i0dA 272 :LGIRSWQTRALLIKALIDQGY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 2.49001 Ang O(6) at 52.964 -5.738 39.114 in (null):S-9999 (1) and CG(11) at 54.6941 -4.39011 37.935 in (null):R-9999 (2) neighbor-bump: 2.01906 Ang O(6) at 52.964 -5.738 39.114 in (null):S-9999 (1) and CB(10) at 54.8125 -4.95676 39.3365 in (null):R-9999 (2) neighbor-bump: 2.54333 Ang C(7) at 53.27 -6.914 38.828 in (null):S-9999 (1) and CB(10) at 54.8125 -4.95676 39.3365 in (null):R-9999 (2) T0147_twice 431 :WVALGSDS 1i0dA 295 :QILVSNDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0147_twice 443 :TMGEFEECLKILDAVDFPPERILNVSPRRLLNFLESRGMAPI 1i0dA 303 :LFGFSSYVTNIMDVMDRVNPDGMAFIPLRVIPFLREKGVPQE Fragment has 45 clashes (null) has 45 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.92218 Ang CZ(166) at 40.132 0.31396 46.2113 in (null):R-9999 (21) and CD(230) at 40.727 1.53 48.801 in (null):R-9999 (29) other bump:2.64607 Ang NE(165) at 39.5673 -0.815101 46.6043 in (null):R-9999 (21) and CG(229) at 40.997 1.299 47.303 in (null):R-9999 (29) other bump:1.70596 Ang CZ(166) at 40.132 0.31396 46.2113 in (null):R-9999 (21) and CG(229) at 40.997 1.299 47.303 in (null):R-9999 (29) other bump:1.71748 Ang NH2(168) at 41.4446 0.25833 46.0121 in (null):R-9999 (21) and CG(229) at 40.997 1.299 47.303 in (null):R-9999 (29) other bump:2.7084 Ang CZ(166) at 40.132 0.31396 46.2113 in (null):R-9999 (21) and CB(228) at 41.79 2.415 46.626 in (null):R-9999 (29) other bump:2.50742 Ang NH1(167) at 39.5455 1.49436 45.992 in (null):R-9999 (21) and CB(228) at 41.79 2.415 46.626 in (null):R-9999 (29) other bump:2.2688 Ang NH2(168) at 41.4446 0.25833 46.0121 in (null):R-9999 (21) and CB(228) at 41.79 2.415 46.626 in (null):R-9999 (29) other bump:2.09238 Ang NH1(167) at 39.5455 1.49436 45.992 in (null):R-9999 (21) and N(226) at 39.743 3.574 45.873 in (null):R-9999 (29) other bump:2.54785 Ang NH1(167) at 39.5455 1.49436 45.992 in (null):R-9999 (21) and C(225) at 38.618 3.803 46.541 in (null):R-9999 (28) other bump:2.17852 Ang CB(162) at 38.1548 -2.87567 44.9979 in (null):R-9999 (21) and NH1(222) at 36.2899 -2.5327 46.0706 in (null):R-9999 (28) other bump:1.78795 Ang CG(163) at 38.0139 -2.70475 46.5122 in (null):R-9999 (21) and NH1(222) at 36.2899 -2.5327 46.0706 in (null):R-9999 (28) other bump:2.49433 Ang CD(164) at 38.2523 -1.26065 46.938 in (null):R-9999 (21) and NH1(222) at 36.2899 -2.5327 46.0706 in (null):R-9999 (28) other bump:2.48087 Ang CG(163) at 38.0139 -2.70475 46.5122 in (null):R-9999 (21) and CZ(221) at 35.7962 -1.69805 46.9846 in (null):R-9999 (28) other bump:2.4952 Ang CD(164) at 38.2523 -1.26065 46.938 in (null):R-9999 (21) and CZ(221) at 35.7962 -1.69805 46.9846 in (null):R-9999 (28) other bump:2.99669 Ang CB(189) at 35.0996 -0.793185 42.5401 in (null):N-9999 (24) and CD(219) at 35.3334 0.137105 45.3791 in (null):R-9999 (28) other bump:2.65368 Ang NH1(167) at 39.5455 1.49436 45.992 in (null):R-9999 (21) and CB(217) at 36.9388 1.99121 45.9793 in (null):R-9999 (28) neighbor-bump: 2.31591 Ang CG2(175) at 38.5344 -5.54909 38.6287 in (null):I-9999 (22) and N(179) at 37.576 -3.557 39.319 in (null):L-9999 (23) other bump:2.89481 Ang CE(14) at 35.9389 -8.5905 37.5785 in (null):M-9999 (2) and CD1(176) at 37.9883 -8.49038 39.6204 in (null):I-9999 (22) other bump:2.85286 Ang OD2(123) at 39.474 -10.731 40.575 in (null):D-9999 (16) and CD1(176) at 37.9883 -8.49038 39.6204 in (null):I-9999 (22) self-bump: 1.33858 Ang CA(172) at 38.53 -5.063 40.959 in (null):I-9999 (22) and CB(173) at 38.2168 -5.98392 40.0394 in (null):I-9999 (22) other bump:2.10699 Ang O(135) at 43.644 -9.944 47.27 in (null):F-9999 (17) and OE2(157) at 41.9004 -9.68976 48.4252 in (null):E-9999 (20) other bump:2.55202 Ang O(116) at 43.434 -9.735 42.449 in (null):V-9999 (15) and CD(148) at 44.3187 -7.46713 43.215 in (null):P-9999 (19) self-bump: 2.25706 Ang CA(145) at 42.658 -6.596 44.471 in (null):P-9999 (19) and CD(148) at 44.3187 -7.46713 43.215 in (null):P-9999 (19) neighbor-bump: 2.76474 Ang CB(139) at 46.2943 -9.12535 44.2106 in (null):P-9999 (18) and CD(148) at 44.3187 -7.46713 43.215 in (null):P-9999 (19) self-bump: 2.13828 Ang CA(145) at 42.658 -6.596 44.471 in (null):P-9999 (19) and CG(147) at 43.8289 -6.1163 42.7473 in (null):P-9999 (19) other bump:2.74701 Ang C(110) at 45.228 -13.204 42.381 in (null):A-9999 (14) and CD(141) at 45.0637 -11.1606 44.2095 in (null):P-9999 (18) other bump:3.21831 Ang CA(112) at 44.574 -11.306 41.032 in (null):V-9999 (15) and CD(141) at 45.0637 -11.1606 44.2095 in (null):P-9999 (18) other bump:2.90079 Ang C(117) at 43.392 -10.823 41.863 in (null):V-9999 (15) and CD(141) at 45.0637 -11.1606 44.2095 in (null):P-9999 (18) other bump:1.59617 Ang O(109) at 45.37 -12.478 43.362 in (null):A-9999 (14) and CD(141) at 45.0637 -11.1606 44.2095 in (null):P-9999 (18) other bump:3.28028 Ang C(110) at 45.228 -13.204 42.381 in (null):A-9999 (14) and CG(140) at 46.4457 -10.5917 43.9474 in (null):P-9999 (18) other bump:2.24895 Ang O(109) at 45.37 -12.478 43.362 in (null):A-9999 (14) and CG(140) at 46.4457 -10.5917 43.9474 in (null):P-9999 (18) other bump:2.93969 Ang CD(54) at 47.1023 -13.6381 33.6094 in (null):E-9999 (7) and CG2(86) at 45.669 -15.65 35.203 in (null):I-9999 (11) other bump:2.4771 Ang OE1(55) at 47.5154 -14.0725 34.7146 in (null):E-9999 (7) and CG2(86) at 45.669 -15.65 35.203 in (null):I-9999 (11) other bump:3.08904 Ang CD(54) at 47.1023 -13.6381 33.6094 in (null):E-9999 (7) and CG1(85) at 47.057 -14.134 36.658 in (null):I-9999 (11) other bump:1.99763 Ang OE1(55) at 47.5154 -14.0725 34.7146 in (null):E-9999 (7) and CG1(85) at 47.057 -14.134 36.658 in (null):I-9999 (11) other bump:2.43579 Ang OE1(55) at 47.5154 -14.0725 34.7146 in (null):E-9999 (7) and CB(84) at 46.612 -15.578 36.403 in (null):I-9999 (11) neighbor-bump: 2.46408 Ang CB(67) at 44.6023 -21.5119 34.9386 in (null):L-9999 (9) and N(73) at 44.582 -20.15 36.992 in (null):K-9999 (10) self-bump: 2.19041 Ang CB(67) at 44.6023 -21.5119 34.9386 in (null):L-9999 (9) and C(72) at 45.734 -20.603 36.579 in (null):L-9999 (9) self-bump: 1.26044 Ang CA(66) at 45.805 -21.209 35.163 in (null):L-9999 (9) and CB(67) at 44.6023 -21.5119 34.9386 in (null):L-9999 (9) other bump:2.82678 Ang CG(24) at 44.0086 -13.3461 32.1024 in (null):E-9999 (4) and OE2(56) at 46.3534 -12.6305 33.5097 in (null):E-9999 (7) other bump:1.58481 Ang CD(25) at 44.909 -12.4309 32.8889 in (null):E-9999 (4) and OE2(56) at 46.3534 -12.6305 33.5097 in (null):E-9999 (7) other bump:2.17946 Ang OE2(27) at 44.9972 -11.2379 32.5243 in (null):E-9999 (4) and OE2(56) at 46.3534 -12.6305 33.5097 in (null):E-9999 (7) other bump:0.954087 Ang OE1(26) at 45.5146 -12.8989 33.8766 in (null):E-9999 (4) and OE2(56) at 46.3534 -12.6305 33.5097 in (null):E-9999 (7) other bump:2.60513 Ang CD(25) at 44.909 -12.4309 32.8889 in (null):E-9999 (4) and CD(54) at 47.1023 -13.6381 33.6094 in (null):E-9999 (7) other bump:1.77159 Ang OE1(26) at 45.5146 -12.8989 33.8766 in (null):E-9999 (4) and CD(54) at 47.1023 -13.6381 33.6094 in (null):E-9999 (7) T0147_twice 485 :AEFAD 1i0dA 360 :PTLRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 16 total=196 Number of alignments=14 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1hw6A/T0147_twice-1hw6A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1hw6A read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1hw6A/T0147_twice-1hw6A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # adding 1hw6A to template set 1hw6A:# found chain 1hw6A in template set T0147_twice 11 :VAST 1hw6A 3 :VPSI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 15 :HAYSTL 1hw6A 10 :DGNSIP Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.4499 Ang CD2(6) at -12.326 2.42664 25.3868 in (null):H-9999 (1) and CE1(23) at -12.5084 0.0414172 25.9155 in (null):Y-9999 (3) other bump:1.58566 Ang CD2(6) at -12.326 2.42664 25.3868 in (null):H-9999 (1) and CD1(21) at -11.6402 0.996963 25.3814 in (null):Y-9999 (3) other bump:2.20467 Ang NE2(9) at -11.7915 2.84906 24.195 in (null):H-9999 (1) and CD1(21) at -11.6402 0.996963 25.3814 in (null):Y-9999 (3) other bump:2.64892 Ang CD2(6) at -12.326 2.42664 25.3868 in (null):H-9999 (1) and CG(20) at -10.5649 0.6209 24.5777 in (null):Y-9999 (3) other bump:2.57211 Ang NE2(9) at -11.7915 2.84906 24.195 in (null):H-9999 (1) and CG(20) at -10.5649 0.6209 24.5777 in (null):Y-9999 (3) other bump:3.13202 Ang CD2(6) at -12.326 2.42664 25.3868 in (null):H-9999 (1) and CB(19) at -9.55754 1.64397 24.1489 in (null):Y-9999 (3) other bump:2.53873 Ang NE2(9) at -11.7915 2.84906 24.195 in (null):H-9999 (1) and CB(19) at -9.55754 1.64397 24.1489 in (null):Y-9999 (3) neighbor-bump: 2.02504 Ang O(10) at -11.713 2.134 29.13 in (null):H-9999 (1) and CB(14) at -9.82249 1.65755 29.6775 in (null):A-9999 (2) neighbor-bump: 2.48508 Ang C(11) at -11.46 3.273 28.737 in (null):H-9999 (1) and CB(14) at -9.82249 1.65755 29.6775 in (null):A-9999 (2) T0147_twice 21 :SDYIAQAKQKGIKLF 1hw6A 30 :QRAVEEALEVGYRHI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.93948 Ang CG(58) at -3.49105 -4.35385 7.05603 in (null):K-9999 (8) and CZ(119) at -4.91384 -1.88467 7.77669 in (null):F-9999 (15) self-bump: 1.38709 Ang CA(74) at 2.345 0.185 4.17 in (null):K-9999 (10) and CB(75) at 1.81878 1.39377 3.73876 in (null):K-9999 (10) T0147_twice 41 :GPD 1hw6A 45 :DTA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 1.87154 Ang C(5) at -12.744 2.515 7.816 in (null):G-9999 (1) and CD(10) at -13.2959 1.18896 9.01587 in (null):P-9999 (2) self-bump: 1.27464 Ang N(6) at -13.828 1.765 8.011 in (null):P-9999 (2) and CD(10) at -13.2959 1.18896 9.01587 in (null):P-9999 (2) neighbor-bump: 2.18694 Ang CA(3) at -11.985 2.939 9.056 in (null):G-9999 (1) and CD(10) at -13.2959 1.18896 9.01587 in (null):P-9999 (2) self-bump: 2.13561 Ang N(6) at -13.828 1.765 8.011 in (null):P-9999 (2) and CG(9) at -13.6084 -0.254776 8.66912 in (null):P-9999 (2) T0147_twice 47 :APHHWHFINMRIW 1hw6A 85 :EPAAAIAESLAKL Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.88782 Ang ND2(81) at -18.8317 -3.51992 9.24511 in (null):N-9999 (9) and NE1(120) at -17.191 -4.41231 8.97039 in (null):W-9999 (13) other bump:2.51376 Ang CG(80) at -19.147 -3.93015 10.4739 in (null):N-9999 (9) and NE1(120) at -17.191 -4.41231 8.97039 in (null):W-9999 (13) other bump:2.38069 Ang O(83) at -19.014 -7.115 10.113 in (null):N-9999 (9) and CD1(116) at -17.3009 -5.49243 9.79624 in (null):W-9999 (13) other bump:2.55692 Ang ND2(81) at -18.8317 -3.51992 9.24511 in (null):N-9999 (9) and CD1(116) at -17.3009 -5.49243 9.79624 in (null):W-9999 (13) other bump:2.51155 Ang CG(80) at -19.147 -3.93015 10.4739 in (null):N-9999 (9) and CD1(116) at -17.3009 -5.49243 9.79624 in (null):W-9999 (13) other bump:2.41298 Ang OD1(82) at -18.33 -4.00687 11.3952 in (null):N-9999 (9) and CD1(116) at -17.3009 -5.49243 9.79624 in (null):W-9999 (13) other bump:1.78682 Ang CE1(20) at -27.5155 -6.62805 19.3585 in (null):H-9999 (3) and CZ(66) at -26.1195 -7.70394 19.0645 in (null):F-9999 (7) other bump:2.66781 Ang NE2(21) at -28.6589 -6.94014 18.772 in (null):H-9999 (3) and CZ(66) at -26.1195 -7.70394 19.0645 in (null):F-9999 (7) other bump:2.67011 Ang ND1(19) at -27.3208 -5.32487 19.2275 in (null):H-9999 (3) and CZ(66) at -26.1195 -7.70394 19.0645 in (null):F-9999 (7) other bump:1.83088 Ang CE1(20) at -27.5155 -6.62805 19.3585 in (null):H-9999 (3) and CE2(65) at -27.1337 -8.00677 18.2159 in (null):F-9999 (7) other bump:1.94245 Ang NE2(21) at -28.6589 -6.94014 18.772 in (null):H-9999 (3) and CE2(65) at -27.1337 -8.00677 18.2159 in (null):F-9999 (7) other bump:3.03665 Ang CD2(18) at -29.2179 -5.79848 18.2456 in (null):H-9999 (3) and CE2(65) at -27.1337 -8.00677 18.2159 in (null):F-9999 (7) other bump:2.87244 Ang ND1(19) at -27.3208 -5.32487 19.2275 in (null):H-9999 (3) and CE2(65) at -27.1337 -8.00677 18.2159 in (null):F-9999 (7) other bump:2.84062 Ang CE1(20) at -27.5155 -6.62805 19.3585 in (null):H-9999 (3) and CE1(64) at -24.8905 -7.37862 18.5744 in (null):F-9999 (7) other bump:2.79403 Ang NE2(21) at -28.6589 -6.94014 18.772 in (null):H-9999 (3) and CD2(63) at -26.9299 -7.98516 16.842 in (null):F-9999 (7) neighbor-bump: 2.95199 Ang CE3(41) at -23.1001 0.234474 12.2834 in (null):W-9999 (5) and CD2(52) at -22.9736 -0.312099 15.1816 in (null):H-9999 (6) T0147_twice 89 :MFDSLDLII 1hw6A 98 :ALDQVDLYL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26222 Ang CD1(39) at -17.9189 -1.89246 14.3893 in (null):L-9999 (5) and CD1(64) at -18.8716 -0.315256 15.7017 in (null):I-9999 (8) other bump:3.11636 Ang C(1) at -15.236 -9.969 9.95 in (null):G-9999 (0) and CE1(16) at -12.9105 -8.02985 10.6871 in (null):F-9999 (2) other bump:2.40348 Ang O(0) at -14.026 -10.087 10.139 in (null):G-9999 (0) and CE1(16) at -12.9105 -8.02985 10.6871 in (null):F-9999 (2) other bump:2.76534 Ang C(1) at -15.236 -9.969 9.95 in (null):G-9999 (0) and CD1(14) at -13.8826 -8.28941 11.6804 in (null):F-9999 (2) other bump:2.37232 Ang O(0) at -14.026 -10.087 10.139 in (null):G-9999 (0) and CD1(14) at -13.8826 -8.28941 11.6804 in (null):F-9999 (2) T0147_twice 100 :FHEPVFAPHDKATNTQAMIATIASGNVHIISHPGNPK 1hw6A 107 :VHWPTPAADNYVHAWEKMIELRAAGLTRSIGVSNHLV Fragment has 46 clashes (null) has 46 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.21518 Ang CB(237) at -21.2654 11.3417 19.0934 in (null):H-9999 (32) and OD1(261) at -22.4036 13.242 19.0763 in (null):N-9999 (35) other bump:1.58396 Ang ND1(240) at -21.0196 13.7889 19.6188 in (null):H-9999 (32) and OD1(261) at -22.4036 13.242 19.0763 in (null):N-9999 (35) other bump:2.11869 Ang CG(238) at -20.4846 12.5122 19.5993 in (null):H-9999 (32) and OD1(261) at -22.4036 13.242 19.0763 in (null):N-9999 (35) other bump:2.04664 Ang CE(92) at -26.138 14.4222 18.0535 in (null):K-9999 (11) and ND2(260) at -24.0947 14.3059 18.0657 in (null):N-9999 (35) other bump:1.24811 Ang NZ(93) at -24.9099 15.1809 18.423 in (null):K-9999 (11) and ND2(260) at -24.0947 14.3059 18.0657 in (null):N-9999 (35) other bump:2.16017 Ang NZ(93) at -24.9099 15.1809 18.423 in (null):K-9999 (11) and CG(259) at -22.9734 14.2871 18.7658 in (null):N-9999 (35) other bump:2.18931 Ang ND1(240) at -21.0196 13.7889 19.6188 in (null):H-9999 (32) and CG(259) at -22.9734 14.2871 18.7658 in (null):N-9999 (35) other bump:2.64198 Ang NZ(93) at -24.9099 15.1809 18.423 in (null):K-9999 (11) and CB(258) at -22.4257 15.6167 19.2099 in (null):N-9999 (35) other bump:2.34203 Ang ND1(240) at -21.0196 13.7889 19.6188 in (null):H-9999 (32) and CB(258) at -22.4257 15.6167 19.2099 in (null):N-9999 (35) other bump:2.66696 Ang CE1(241) at -20.1284 14.6187 20.126 in (null):H-9999 (32) and CB(258) at -22.4257 15.6167 19.2099 in (null):N-9999 (35) other bump:2.25817 Ang O(11) at -22.838 9.192 14.589 in (null):F-9999 (1) and CD(249) at -21.3136 10.4294 15.7046 in (null):P-9999 (33) neighbor-bump: 2.01662 Ang C(244) at -19.928 11.147 16.982 in (null):H-9999 (32) and CD(249) at -21.3136 10.4294 15.7046 in (null):P-9999 (33) other bump:2.05719 Ang O(11) at -22.838 9.192 14.589 in (null):F-9999 (1) and CG(248) at -21.4924 10.7061 14.2298 in (null):P-9999 (33) other bump:3.2205 Ang C(12) at -23.649 8.315 14.289 in (null):F-9999 (1) and CG(248) at -21.4924 10.7061 14.2298 in (null):P-9999 (33) other bump:2.0999 Ang CD1(170) at -19.9147 2.33301 24.0701 in (null):I-9999 (22) and CD1(226) at -20.989 4.108 24.394 in (null):I-9999 (30) other bump:2.56214 Ang CG1(168) at -20.1148 0.899477 23.5942 in (null):I-9999 (22) and CG2(225) at -20.332 2.739 21.824 in (null):I-9999 (30) other bump:2.32031 Ang CD1(170) at -19.9147 2.33301 24.0701 in (null):I-9999 (22) and CG2(225) at -20.332 2.739 21.824 in (null):I-9999 (30) other bump:2.08669 Ang CD1(170) at -19.9147 2.33301 24.0701 in (null):I-9999 (22) and CG1(224) at -19.69 4.361 23.633 in (null):I-9999 (30) other bump:2.65061 Ang CD1(170) at -19.9147 2.33301 24.0701 in (null):I-9999 (22) and CB(223) at -19.807 4.138 22.132 in (null):I-9999 (30) other bump:2.42236 Ang CD1(6) at -24.9358 9.00197 17.0602 in (null):F-9999 (1) and OD1(113) at -26.6584 7.81112 18.2778 in (null):N-9999 (14) other bump:2.32053 Ang CG(5) at -24.641 7.65677 17.1415 in (null):F-9999 (1) and OD1(113) at -26.6584 7.81112 18.2778 in (null):N-9999 (14) other bump:2.41549 Ang CD2(7) at -24.3438 7.13201 18.4043 in (null):F-9999 (1) and OD1(113) at -26.6584 7.81112 18.2778 in (null):N-9999 (14) other bump:2.68068 Ang CE2(9) at -24.2852 7.97013 19.5143 in (null):F-9999 (1) and OD1(113) at -26.6584 7.81112 18.2778 in (null):N-9999 (14) other bump:2.37007 Ang CG(35) at -26.349 15.807 16.647 in (null):P-9999 (4) and NZ(93) at -24.9099 15.1809 18.423 in (null):K-9999 (11) other bump:2.42915 Ang CB(34) at -27.823 15.427 16.621 in (null):P-9999 (4) and CE(92) at -26.138 14.4222 18.0535 in (null):K-9999 (11) other bump:1.98502 Ang CG(35) at -26.349 15.807 16.647 in (null):P-9999 (4) and CE(92) at -26.138 14.4222 18.0535 in (null):K-9999 (11) other bump:2.75926 Ang CD(36) at -25.694 15.167 15.434 in (null):P-9999 (4) and CE(92) at -26.138 14.4222 18.0535 in (null):K-9999 (11) other bump:2.83148 Ang CB(34) at -27.823 15.427 16.621 in (null):P-9999 (4) and CD(91) at -27.1401 14.4411 19.186 in (null):K-9999 (11) other bump:2.98962 Ang CG(35) at -26.349 15.807 16.647 in (null):P-9999 (4) and CD(91) at -27.1401 14.4411 19.186 in (null):K-9999 (11) other bump:3.07346 Ang CG1(42) at -32.9408 14.4721 15.7414 in (null):V-9999 (5) and OD1(83) at -32.8229 11.5297 16.6216 in (null):D-9999 (10) other bump:2.53874 Ang CB(59) at -36.476 16.309 14.555 in (null):A-9999 (7) and CE1(75) at -36.39 13.7832 14.7959 in (null):H-9999 (9) other bump:3.22394 Ang CA(58) at -35.59 17.484 14.941 in (null):A-9999 (7) and ND1(74) at -36.3676 14.5038 15.8936 in (null):H-9999 (9) other bump:2.24998 Ang CB(59) at -36.476 16.309 14.555 in (null):A-9999 (7) and ND1(74) at -36.3676 14.5038 15.8936 in (null):H-9999 (9) neighbor-bump: 1.85766 Ang C(61) at -35.056 17.306 16.347 in (null):A-9999 (7) and CD(66) at -33.624 18.4788 16.5048 in (null):P-9999 (8) self-bump: 2.20127 Ang CA(63) at -33.09 16.709 17.7 in (null):P-9999 (8) and CD(66) at -33.624 18.4788 16.5048 in (null):P-9999 (8) other bump:2.39715 Ang O(55) at -34.017 19.799 14.543 in (null):F-9999 (6) and CD(66) at -33.624 18.4788 16.5048 in (null):P-9999 (8) other bump:2.63936 Ang C(56) at -33.792 18.779 13.888 in (null):F-9999 (6) and CD(66) at -33.624 18.4788 16.5048 in (null):P-9999 (8) other bump:2.5846 Ang O(44) at -31.768 17.306 15.141 in (null):V-9999 (5) and CD(66) at -33.624 18.4788 16.5048 in (null):P-9999 (8) other bump:3.22789 Ang C(56) at -33.792 18.779 13.888 in (null):F-9999 (6) and CG(65) at -32.1274 18.4255 16.6309 in (null):P-9999 (8) other bump:1.898 Ang O(44) at -31.768 17.306 15.141 in (null):V-9999 (5) and CG(65) at -32.1274 18.4255 16.6309 in (null):P-9999 (8) other bump:3.11014 Ang C(45) at -31.758 16.756 14.033 in (null):V-9999 (5) and CG(65) at -32.1274 18.4255 16.6309 in (null):P-9999 (8) other bump:2.66888 Ang O(44) at -31.768 17.306 15.141 in (null):V-9999 (5) and CB(64) at -31.92 17.5119 17.7976 in (null):P-9999 (8) other bump:2.97691 Ang CG1(42) at -32.9408 14.4721 15.7414 in (null):V-9999 (5) and CA(63) at -33.09 16.709 17.7 in (null):P-9999 (8) other bump:2.66664 Ang CG1(42) at -32.9408 14.4721 15.7414 in (null):V-9999 (5) and N(62) at -33.781 16.908 16.428 in (null):P-9999 (8) other bump:3.13873 Ang C(45) at -31.758 16.756 14.033 in (null):V-9999 (5) and N(62) at -33.781 16.908 16.428 in (null):P-9999 (8) other bump:2.78701 Ang CG2(43) at -33.9277 14.9523 13.5246 in (null):V-9999 (5) and N(57) at -34.489 17.638 14.014 in (null):A-9999 (7) T0147_twice 142 :KAVAEAAAKHQV 1hw6A 144 :PHLERIVAATGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0147_twice 154 :ALEINNSS 1hw6A 159 :VNQIELHP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0147_twice 170 :EDNCREVAAAVRDAGGWV 1hw6A 167 :AYQQREITDWAAAHDVKI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.63918 Ang CG1(78) at -12.8014 16.1787 22.6022 in (null):V-9999 (11) and C(113) at -12.16 13.715 23.298 in (null):G-9999 (16) other bump:1.78939 Ang CG1(78) at -12.8014 16.1787 22.6022 in (null):V-9999 (11) and O(112) at -11.718 14.844 23.099 in (null):G-9999 (16) T0147_twice 188 :ALGSDSHTAFTMGEFEECLKILDAVDFPPERI 1hw6A 186 :SWGPLGQGKYDLFGAEPVTAAAAAHGKTPAQA Fragment has 53 clashes (null) has 53 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:1.77829 Ang CA(161) at 5.514 22.555 3.383 in (null):L-9999 (22) and CD1(246) at 3.97588 22.2583 4.22469 in (null):I-9999 (32) other bump:2.19236 Ang CB(162) at 4.63083 22.4623 2.14242 in (null):L-9999 (22) and CD1(246) at 3.97588 22.2583 4.22469 in (null):I-9999 (32) other bump:2.63828 Ang C(159) at 5.712 23.848 5.416 in (null):I-9999 (21) and CD1(246) at 3.97588 22.2583 4.22469 in (null):I-9999 (32) other bump:1.73652 Ang N(160) at 5.077 23.6 4.278 in (null):L-9999 (22) and CD1(246) at 3.97588 22.2583 4.22469 in (null):I-9999 (32) other bump:2.96674 Ang CA(161) at 5.514 22.555 3.383 in (null):L-9999 (22) and CG1(244) at 3.63505 21.1118 5.16857 in (null):I-9999 (32) other bump:3.01057 Ang N(160) at 5.077 23.6 4.278 in (null):L-9999 (22) and CG1(244) at 3.63505 21.1118 5.16857 in (null):I-9999 (32) other bump:2.68603 Ang CG(210) at 3.43153 16.1798 1.39182 in (null):P-9999 (28) and CD(234) at 4.19861 14.3104 3.16157 in (null):R-9999 (31) other bump:2.67833 Ang CD(211) at 4.85912 16.5009 1.76906 in (null):P-9999 (28) and CD(234) at 4.19861 14.3104 3.16157 in (null):R-9999 (31) other bump:2.70669 Ang CG(210) at 3.43153 16.1798 1.39182 in (null):P-9999 (28) and CG(233) at 2.82009 14.756 3.61113 in (null):R-9999 (31) other bump:2.23922 Ang CD2(165) at 4.27982 21.6806 -0.206922 in (null):L-9999 (22) and CD(218) at 2.29 20.677 -0.425 in (null):P-9999 (29) other bump:2.56855 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and C(213) at 2.81 19.246 1.543 in (null):P-9999 (28) other bump:2.31669 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and CA(208) at 3.81 18.456 0.718 in (null):P-9999 (28) other bump:2.16801 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and N(207) at 4.85 17.977 1.617 in (null):P-9999 (28) other bump:3.05974 Ang CG(163) at 5.15766 21.5544 1.02084 in (null):L-9999 (22) and C(206) at 5.914 18.727 1.913 in (null):F-9999 (27) other bump:1.59487 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and C(206) at 5.914 18.727 1.913 in (null):F-9999 (27) other bump:2.01533 Ang CG(163) at 5.15766 21.5544 1.02084 in (null):L-9999 (22) and O(205) at 6.124 19.831 1.418 in (null):F-9999 (27) other bump:0.941235 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and O(205) at 6.124 19.831 1.418 in (null):F-9999 (27) other bump:2.51369 Ang CG1(184) at 8.08281 19.4121 7.30429 in (null):V-9999 (25) and CZ(204) at 8.21159 16.9421 7.75271 in (null):F-9999 (27) other bump:2.62947 Ang CB(183) at 8.30249 20.8682 6.93658 in (null):V-9999 (25) and CE1(202) at 8.3963 18.2721 7.34394 in (null):F-9999 (27) other bump:1.18299 Ang CG1(184) at 8.08281 19.4121 7.30429 in (null):V-9999 (25) and CE1(202) at 8.3963 18.2721 7.34394 in (null):F-9999 (27) other bump:2.31881 Ang CB(183) at 8.30249 20.8682 6.93658 in (null):V-9999 (25) and CD1(200) at 7.70502 18.7498 6.20682 in (null):F-9999 (27) other bump:1.33635 Ang CG1(184) at 8.08281 19.4121 7.30429 in (null):V-9999 (25) and CD1(200) at 7.70502 18.7498 6.20682 in (null):F-9999 (27) other bump:2.65445 Ang CG1(184) at 8.08281 19.4121 7.30429 in (null):V-9999 (25) and CG(199) at 6.84046 17.92 5.49428 in (null):F-9999 (27) other bump:2.9271 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and CA(197) at 6.892 18.151 2.91 in (null):F-9999 (27) other bump:2.55741 Ang CE2(107) at -4.61145 25.4291 3.43092 in (null):F-9999 (15) and SG(132) at -2.33295 25.0252 4.51979 in (null):C-9999 (18) other bump:1.30935 Ang CE1(106) at -2.76104 26.2556 4.65174 in (null):F-9999 (15) and SG(132) at -2.33295 25.0252 4.51979 in (null):C-9999 (18) other bump:1.37609 Ang CZ(108) at -3.68478 25.2543 4.40276 in (null):F-9999 (15) and SG(132) at -2.33295 25.0252 4.51979 in (null):C-9999 (18) other bump:2.51814 Ang CD1(104) at -2.79627 27.4249 3.91302 in (null):F-9999 (15) and SG(132) at -2.33295 25.0252 4.51979 in (null):C-9999 (18) other bump:2.43758 Ang CE1(106) at -2.76104 26.2556 4.65174 in (null):F-9999 (15) and CB(131) at -0.901219 25.255 3.43445 in (null):C-9999 (18) other bump:2.94718 Ang CZ(108) at -3.68478 25.2543 4.40276 in (null):F-9999 (15) and CB(131) at -0.901219 25.255 3.43445 in (null):C-9999 (18) other bump:2.92033 Ang CD1(104) at -2.79627 27.4249 3.91302 in (null):F-9999 (15) and CB(131) at -0.901219 25.255 3.43445 in (null):C-9999 (18) other bump:2.93105 Ang CA(80) at -6.104 24.812 0.985 in (null):M-9999 (12) and CE2(107) at -4.61145 25.4291 3.43092 in (null):F-9999 (15) other bump:2.74859 Ang C(86) at -4.6 24.685 0.785 in (null):M-9999 (12) and CE2(107) at -4.61145 25.4291 3.43092 in (null):F-9999 (15) other bump:2.86327 Ang CG(82) at -6.35345 23.2083 2.94953 in (null):M-9999 (12) and CE2(107) at -4.61145 25.4291 3.43092 in (null):F-9999 (15) other bump:2.05504 Ang O(85) at -3.813 25.238 1.547 in (null):M-9999 (12) and CE2(107) at -4.61145 25.4291 3.43092 in (null):F-9999 (15) other bump:2.86287 Ang CA(80) at -6.104 24.812 0.985 in (null):M-9999 (12) and CD2(105) at -4.66245 26.6055 2.68834 in (null):F-9999 (15) other bump:2.70461 Ang C(86) at -4.6 24.685 0.785 in (null):M-9999 (12) and CD2(105) at -4.66245 26.6055 2.68834 in (null):F-9999 (15) other bump:1.97339 Ang O(85) at -3.813 25.238 1.547 in (null):M-9999 (12) and CD2(105) at -4.66245 26.6055 2.68834 in (null):F-9999 (15) other bump:2.20377 Ang CG2(75) at -5.77724 26.5382 -3.88339 in (null):T-9999 (11) and OE1(96) at -4.90497 28.0667 -5.20985 in (null):E-9999 (14) other bump:2.25005 Ang CG2(75) at -5.77724 26.5382 -3.88339 in (null):T-9999 (11) and CD(95) at -4.21415 27.0438 -5.42088 in (null):E-9999 (14) other bump:2.55341 Ang CG2(75) at -5.77724 26.5382 -3.88339 in (null):T-9999 (11) and CG(94) at -3.26736 26.5347 -4.35285 in (null):E-9999 (14) other bump:2.89644 Ang CA(26) at -8.163 18.692 3.956 in (null):D-9999 (5) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:2.22612 Ang OG(36) at -10.082 21.8214 1.47826 in (null):S-9999 (6) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:1.4982 Ang O(31) at -8.916 19.917 2.042 in (null):D-9999 (5) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:2.03476 Ang C(32) at -9.163 19.538 3.186 in (null):D-9999 (5) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:2.83376 Ang N(33) at -10.29 19.847 3.816 in (null):S-9999 (6) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:2.388 Ang CB(35) at -10.3846 22.0073 2.84983 in (null):S-9999 (6) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:3.22272 Ang CA(26) at -8.163 18.692 3.956 in (null):D-9999 (5) and SD(83) at -6.63984 21.4487 3.27293 in (null):M-9999 (12) other bump:2.70534 Ang CB(35) at -10.3846 22.0073 2.84983 in (null):S-9999 (6) and CE1(67) at -11.277 24.536 3.208 in (null):F-9999 (10) neighbor-bump: 1.63233 Ang O(47) at -13.366 18.653 -1.478 in (null):H-9999 (7) and OG1(53) at -12.543 18.1617 -2.79929 in (null):T-9999 (8) neighbor-bump: 2.21309 Ang C(48) at -12.442 18.774 -0.675 in (null):H-9999 (7) and OG1(53) at -12.543 18.1617 -2.79929 in (null):T-9999 (8) other bump:2.21398 Ang CA(16) at -12.645 16.143 5.879 in (null):G-9999 (3) and NE2(46) at -13.9068 15.7428 4.10431 in (null):H-9999 (7) other bump:2.81482 Ang CA(16) at -12.645 16.143 5.879 in (null):G-9999 (3) and CD2(43) at -13.1946 16.4022 3.13056 in (null):H-9999 (7) T0147_twice 233 :SRGMAPIAEFADLMYPV 1hw6A 218 :VLRWHLQKGFVVFPKSV Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.14163 Ang O(103) at -6.795 8.387 4.262 in (null):M-9999 (14) and CD(121) at -6.53277 7.121 2.55465 in (null):P-9999 (16) other bump:2.04767 Ang NH2(16) at -3.6139 12.7368 2.38386 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:2.74769 Ang CG(11) at -2.77293 14.7525 6.57642 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:1.61022 Ang CD(12) at -2.27986 13.6802 5.64184 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:0.367035 Ang NE(13) at -3.15795 13.5532 4.47386 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:0.971932 Ang CZ(14) at -2.8158 12.8019 3.44414 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:1.96511 Ang NH1(15) at -1.69701 12.0582 3.47864 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:3.31548 Ang NH2(16) at -3.6139 12.7368 2.38386 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:2.8327 Ang CG(11) at -2.77293 14.7525 6.57642 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:1.70964 Ang CD(12) at -2.27986 13.6802 5.64184 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:1.82484 Ang NE(13) at -3.15795 13.5532 4.47386 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:2.24142 Ang CZ(14) at -2.8158 12.8019 3.44414 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:2.4414 Ang NH1(15) at -1.69701 12.0582 3.47864 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:3.07691 Ang CD(12) at -2.27986 13.6802 5.64184 in (null):R-9999 (2) and CG(100) at -4.69696 11.8037 5.9642 in (null):M-9999 (14) other bump:2.76593 Ang NE(13) at -3.15795 13.5532 4.47386 in (null):R-9999 (2) and CG(100) at -4.69696 11.8037 5.9642 in (null):M-9999 (14) neighbor-bump: 2.86511 Ang OD1(85) at -6.60326 11.6517 8.4537 in (null):D-9999 (12) and C(96) at -8.133 9.696 7.024 in (null):L-9999 (13) other bump:1.59312 Ang O(17) at -1.833 16.261 10.62 in (null):R-9999 (2) and CD(40) at -2.03632 16.2829 12.1999 in (null):P-9999 (6) other bump:2.75888 Ang C(18) at -1.34 16.606 9.55 in (null):R-9999 (2) and CD(40) at -2.03632 16.2829 12.1999 in (null):P-9999 (6) other bump:2.94759 Ang C(22) at 0.08 18.248 11.61 in (null):G-9999 (3) and CD(40) at -2.03632 16.2829 12.1999 in (null):P-9999 (6) other bump:2.20342 Ang O(17) at -1.833 16.261 10.62 in (null):R-9999 (2) and CG(39) at -1.33809 14.9406 12.3131 in (null):P-9999 (6) other bump:3.2262 Ang C(18) at -1.34 16.606 9.55 in (null):R-9999 (2) and CG(39) at -1.33809 14.9406 12.3131 in (null):P-9999 (6) T0147_twice 272 :AKQKGIKLFAITDH 1hw6A 235 :RRERLEENLDVFDF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0147_twice 383 :EIDVKAVAEAAAKH 1hw6A 249 :DLTDTEIAAIDAMD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.71858 Ang O(72) at -4.979 28.23 10.128 in (null):A-9999 (10) and CB(86) at -6.60256 28.958 8.0726 in (null):K-9999 (13) other bump:2.73334 Ang CG2(15) at 3.66495 24.1137 12.2889 in (null):I-9999 (2) and CB(45) at 4.532 26.526 11.34 in (null):A-9999 (6) Number of specific fragments= 14 total=210 Number of alignments=15 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1hw6A/T0147_twice-1hw6A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1hw6A read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1hw6A/T0147_twice-1hw6A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1hw6A in template set T0147_twice 3 :PVDL 1hw6A 3 :VPSI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 11 :VASTH 1hw6A 7 :VLNDG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0147_twice 17 :YST 1hw6A 12 :NSI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 21 :SDYIAQAKQKGIKLF 1hw6A 30 :QRAVEEALEVGYRHI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.93948 Ang CG(58) at -3.49105 -4.35385 7.05603 in (null):K-9999 (8) and CZ(119) at -4.91384 -1.88467 7.77669 in (null):F-9999 (15) self-bump: 1.38709 Ang CA(74) at 2.345 0.185 4.17 in (null):K-9999 (10) and CB(75) at 1.81878 1.39377 3.73876 in (null):K-9999 (10) T0147_twice 41 :GPD 1hw6A 45 :DTA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 1.87154 Ang C(5) at -12.744 2.515 7.816 in (null):G-9999 (1) and CD(10) at -13.2959 1.18896 9.01587 in (null):P-9999 (2) self-bump: 1.27464 Ang N(6) at -13.828 1.765 8.011 in (null):P-9999 (2) and CD(10) at -13.2959 1.18896 9.01587 in (null):P-9999 (2) neighbor-bump: 2.18694 Ang CA(3) at -11.985 2.939 9.056 in (null):G-9999 (1) and CD(10) at -13.2959 1.18896 9.01587 in (null):P-9999 (2) self-bump: 2.13561 Ang N(6) at -13.828 1.765 8.011 in (null):P-9999 (2) and CG(9) at -13.6084 -0.254776 8.66912 in (null):P-9999 (2) T0147_twice 47 :APHHWHFINMRIW 1hw6A 85 :EPAAAIAESLAKL Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.88782 Ang ND2(81) at -18.8317 -3.51992 9.24511 in (null):N-9999 (9) and NE1(120) at -17.191 -4.41231 8.97039 in (null):W-9999 (13) other bump:2.51376 Ang CG(80) at -19.147 -3.93015 10.4739 in (null):N-9999 (9) and NE1(120) at -17.191 -4.41231 8.97039 in (null):W-9999 (13) other bump:2.38069 Ang O(83) at -19.014 -7.115 10.113 in (null):N-9999 (9) and CD1(116) at -17.3009 -5.49243 9.79624 in (null):W-9999 (13) other bump:2.55692 Ang ND2(81) at -18.8317 -3.51992 9.24511 in (null):N-9999 (9) and CD1(116) at -17.3009 -5.49243 9.79624 in (null):W-9999 (13) other bump:2.51155 Ang CG(80) at -19.147 -3.93015 10.4739 in (null):N-9999 (9) and CD1(116) at -17.3009 -5.49243 9.79624 in (null):W-9999 (13) other bump:2.41298 Ang OD1(82) at -18.33 -4.00687 11.3952 in (null):N-9999 (9) and CD1(116) at -17.3009 -5.49243 9.79624 in (null):W-9999 (13) other bump:1.78682 Ang CE1(20) at -27.5155 -6.62805 19.3585 in (null):H-9999 (3) and CZ(66) at -26.1195 -7.70394 19.0645 in (null):F-9999 (7) other bump:2.66781 Ang NE2(21) at -28.6589 -6.94014 18.772 in (null):H-9999 (3) and CZ(66) at -26.1195 -7.70394 19.0645 in (null):F-9999 (7) other bump:2.67011 Ang ND1(19) at -27.3208 -5.32487 19.2275 in (null):H-9999 (3) and CZ(66) at -26.1195 -7.70394 19.0645 in (null):F-9999 (7) other bump:1.83088 Ang CE1(20) at -27.5155 -6.62805 19.3585 in (null):H-9999 (3) and CE2(65) at -27.1337 -8.00677 18.2159 in (null):F-9999 (7) other bump:1.94245 Ang NE2(21) at -28.6589 -6.94014 18.772 in (null):H-9999 (3) and CE2(65) at -27.1337 -8.00677 18.2159 in (null):F-9999 (7) other bump:3.03665 Ang CD2(18) at -29.2179 -5.79848 18.2456 in (null):H-9999 (3) and CE2(65) at -27.1337 -8.00677 18.2159 in (null):F-9999 (7) other bump:2.87244 Ang ND1(19) at -27.3208 -5.32487 19.2275 in (null):H-9999 (3) and CE2(65) at -27.1337 -8.00677 18.2159 in (null):F-9999 (7) other bump:2.84062 Ang CE1(20) at -27.5155 -6.62805 19.3585 in (null):H-9999 (3) and CE1(64) at -24.8905 -7.37862 18.5744 in (null):F-9999 (7) other bump:2.79403 Ang NE2(21) at -28.6589 -6.94014 18.772 in (null):H-9999 (3) and CD2(63) at -26.9299 -7.98516 16.842 in (null):F-9999 (7) neighbor-bump: 2.95199 Ang CE3(41) at -23.1001 0.234474 12.2834 in (null):W-9999 (5) and CD2(52) at -22.9736 -0.312099 15.1816 in (null):H-9999 (6) T0147_twice 89 :MFDSLDLII 1hw6A 98 :ALDQVDLYL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26222 Ang CD1(39) at -17.9189 -1.89246 14.3893 in (null):L-9999 (5) and CD1(64) at -18.8716 -0.315256 15.7017 in (null):I-9999 (8) other bump:3.11636 Ang C(1) at -15.236 -9.969 9.95 in (null):G-9999 (0) and CE1(16) at -12.9105 -8.02985 10.6871 in (null):F-9999 (2) other bump:2.40348 Ang O(0) at -14.026 -10.087 10.139 in (null):G-9999 (0) and CE1(16) at -12.9105 -8.02985 10.6871 in (null):F-9999 (2) other bump:2.76534 Ang C(1) at -15.236 -9.969 9.95 in (null):G-9999 (0) and CD1(14) at -13.8826 -8.28941 11.6804 in (null):F-9999 (2) other bump:2.37232 Ang O(0) at -14.026 -10.087 10.139 in (null):G-9999 (0) and CD1(14) at -13.8826 -8.28941 11.6804 in (null):F-9999 (2) T0147_twice 100 :FHEPVFAPHDKATNTQAMIATIASGNVHIISHPGNPK 1hw6A 107 :VHWPTPAADNYVHAWEKMIELRAAGLTRSIGVSNHLV Fragment has 46 clashes (null) has 46 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.21518 Ang CB(237) at -21.2654 11.3417 19.0934 in (null):H-9999 (32) and OD1(261) at -22.4036 13.242 19.0763 in (null):N-9999 (35) other bump:1.58396 Ang ND1(240) at -21.0196 13.7889 19.6188 in (null):H-9999 (32) and OD1(261) at -22.4036 13.242 19.0763 in (null):N-9999 (35) other bump:2.11869 Ang CG(238) at -20.4846 12.5122 19.5993 in (null):H-9999 (32) and OD1(261) at -22.4036 13.242 19.0763 in (null):N-9999 (35) other bump:2.04664 Ang CE(92) at -26.138 14.4222 18.0535 in (null):K-9999 (11) and ND2(260) at -24.0947 14.3059 18.0657 in (null):N-9999 (35) other bump:1.24811 Ang NZ(93) at -24.9099 15.1809 18.423 in (null):K-9999 (11) and ND2(260) at -24.0947 14.3059 18.0657 in (null):N-9999 (35) other bump:2.16017 Ang NZ(93) at -24.9099 15.1809 18.423 in (null):K-9999 (11) and CG(259) at -22.9734 14.2871 18.7658 in (null):N-9999 (35) other bump:2.18931 Ang ND1(240) at -21.0196 13.7889 19.6188 in (null):H-9999 (32) and CG(259) at -22.9734 14.2871 18.7658 in (null):N-9999 (35) other bump:2.64198 Ang NZ(93) at -24.9099 15.1809 18.423 in (null):K-9999 (11) and CB(258) at -22.4257 15.6167 19.2099 in (null):N-9999 (35) other bump:2.34203 Ang ND1(240) at -21.0196 13.7889 19.6188 in (null):H-9999 (32) and CB(258) at -22.4257 15.6167 19.2099 in (null):N-9999 (35) other bump:2.66696 Ang CE1(241) at -20.1284 14.6187 20.126 in (null):H-9999 (32) and CB(258) at -22.4257 15.6167 19.2099 in (null):N-9999 (35) other bump:2.25817 Ang O(11) at -22.838 9.192 14.589 in (null):F-9999 (1) and CD(249) at -21.3136 10.4294 15.7046 in (null):P-9999 (33) neighbor-bump: 2.01662 Ang C(244) at -19.928 11.147 16.982 in (null):H-9999 (32) and CD(249) at -21.3136 10.4294 15.7046 in (null):P-9999 (33) other bump:2.05719 Ang O(11) at -22.838 9.192 14.589 in (null):F-9999 (1) and CG(248) at -21.4924 10.7061 14.2298 in (null):P-9999 (33) other bump:3.2205 Ang C(12) at -23.649 8.315 14.289 in (null):F-9999 (1) and CG(248) at -21.4924 10.7061 14.2298 in (null):P-9999 (33) other bump:2.0999 Ang CD1(170) at -19.9147 2.33301 24.0701 in (null):I-9999 (22) and CD1(226) at -20.989 4.108 24.394 in (null):I-9999 (30) other bump:2.56214 Ang CG1(168) at -20.1148 0.899477 23.5942 in (null):I-9999 (22) and CG2(225) at -20.332 2.739 21.824 in (null):I-9999 (30) other bump:2.32031 Ang CD1(170) at -19.9147 2.33301 24.0701 in (null):I-9999 (22) and CG2(225) at -20.332 2.739 21.824 in (null):I-9999 (30) other bump:2.08669 Ang CD1(170) at -19.9147 2.33301 24.0701 in (null):I-9999 (22) and CG1(224) at -19.69 4.361 23.633 in (null):I-9999 (30) other bump:2.65061 Ang CD1(170) at -19.9147 2.33301 24.0701 in (null):I-9999 (22) and CB(223) at -19.807 4.138 22.132 in (null):I-9999 (30) other bump:2.42236 Ang CD1(6) at -24.9358 9.00197 17.0602 in (null):F-9999 (1) and OD1(113) at -26.6584 7.81112 18.2778 in (null):N-9999 (14) other bump:2.32053 Ang CG(5) at -24.641 7.65677 17.1415 in (null):F-9999 (1) and OD1(113) at -26.6584 7.81112 18.2778 in (null):N-9999 (14) other bump:2.41549 Ang CD2(7) at -24.3438 7.13201 18.4043 in (null):F-9999 (1) and OD1(113) at -26.6584 7.81112 18.2778 in (null):N-9999 (14) other bump:2.68068 Ang CE2(9) at -24.2852 7.97013 19.5143 in (null):F-9999 (1) and OD1(113) at -26.6584 7.81112 18.2778 in (null):N-9999 (14) other bump:2.37007 Ang CG(35) at -26.349 15.807 16.647 in (null):P-9999 (4) and NZ(93) at -24.9099 15.1809 18.423 in (null):K-9999 (11) other bump:2.42915 Ang CB(34) at -27.823 15.427 16.621 in (null):P-9999 (4) and CE(92) at -26.138 14.4222 18.0535 in (null):K-9999 (11) other bump:1.98502 Ang CG(35) at -26.349 15.807 16.647 in (null):P-9999 (4) and CE(92) at -26.138 14.4222 18.0535 in (null):K-9999 (11) other bump:2.75926 Ang CD(36) at -25.694 15.167 15.434 in (null):P-9999 (4) and CE(92) at -26.138 14.4222 18.0535 in (null):K-9999 (11) other bump:2.83148 Ang CB(34) at -27.823 15.427 16.621 in (null):P-9999 (4) and CD(91) at -27.1401 14.4411 19.186 in (null):K-9999 (11) other bump:2.98962 Ang CG(35) at -26.349 15.807 16.647 in (null):P-9999 (4) and CD(91) at -27.1401 14.4411 19.186 in (null):K-9999 (11) other bump:3.07346 Ang CG1(42) at -32.9408 14.4721 15.7414 in (null):V-9999 (5) and OD1(83) at -32.8229 11.5297 16.6216 in (null):D-9999 (10) other bump:2.53874 Ang CB(59) at -36.476 16.309 14.555 in (null):A-9999 (7) and CE1(75) at -36.39 13.7832 14.7959 in (null):H-9999 (9) other bump:3.22394 Ang CA(58) at -35.59 17.484 14.941 in (null):A-9999 (7) and ND1(74) at -36.3676 14.5038 15.8936 in (null):H-9999 (9) other bump:2.24998 Ang CB(59) at -36.476 16.309 14.555 in (null):A-9999 (7) and ND1(74) at -36.3676 14.5038 15.8936 in (null):H-9999 (9) neighbor-bump: 1.85766 Ang C(61) at -35.056 17.306 16.347 in (null):A-9999 (7) and CD(66) at -33.624 18.4788 16.5048 in (null):P-9999 (8) self-bump: 2.20127 Ang CA(63) at -33.09 16.709 17.7 in (null):P-9999 (8) and CD(66) at -33.624 18.4788 16.5048 in (null):P-9999 (8) other bump:2.39715 Ang O(55) at -34.017 19.799 14.543 in (null):F-9999 (6) and CD(66) at -33.624 18.4788 16.5048 in (null):P-9999 (8) other bump:2.63936 Ang C(56) at -33.792 18.779 13.888 in (null):F-9999 (6) and CD(66) at -33.624 18.4788 16.5048 in (null):P-9999 (8) other bump:2.5846 Ang O(44) at -31.768 17.306 15.141 in (null):V-9999 (5) and CD(66) at -33.624 18.4788 16.5048 in (null):P-9999 (8) other bump:3.22789 Ang C(56) at -33.792 18.779 13.888 in (null):F-9999 (6) and CG(65) at -32.1274 18.4255 16.6309 in (null):P-9999 (8) other bump:1.898 Ang O(44) at -31.768 17.306 15.141 in (null):V-9999 (5) and CG(65) at -32.1274 18.4255 16.6309 in (null):P-9999 (8) other bump:3.11014 Ang C(45) at -31.758 16.756 14.033 in (null):V-9999 (5) and CG(65) at -32.1274 18.4255 16.6309 in (null):P-9999 (8) other bump:2.66888 Ang O(44) at -31.768 17.306 15.141 in (null):V-9999 (5) and CB(64) at -31.92 17.5119 17.7976 in (null):P-9999 (8) other bump:2.97691 Ang CG1(42) at -32.9408 14.4721 15.7414 in (null):V-9999 (5) and CA(63) at -33.09 16.709 17.7 in (null):P-9999 (8) other bump:2.66664 Ang CG1(42) at -32.9408 14.4721 15.7414 in (null):V-9999 (5) and N(62) at -33.781 16.908 16.428 in (null):P-9999 (8) other bump:3.13873 Ang C(45) at -31.758 16.756 14.033 in (null):V-9999 (5) and N(62) at -33.781 16.908 16.428 in (null):P-9999 (8) other bump:2.78701 Ang CG2(43) at -33.9277 14.9523 13.5246 in (null):V-9999 (5) and N(57) at -34.489 17.638 14.014 in (null):A-9999 (7) T0147_twice 142 :KAVAEAAAKHQV 1hw6A 144 :PHLERIVAATGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0147_twice 154 :ALEINNSS 1hw6A 159 :VNQIELHP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0147_twice 170 :EDNCREVAAAVRDAGGWV 1hw6A 167 :AYQQREITDWAAAHDVKI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.63918 Ang CG1(78) at -12.8014 16.1787 22.6022 in (null):V-9999 (11) and C(113) at -12.16 13.715 23.298 in (null):G-9999 (16) other bump:1.78939 Ang CG1(78) at -12.8014 16.1787 22.6022 in (null):V-9999 (11) and O(112) at -11.718 14.844 23.099 in (null):G-9999 (16) T0147_twice 188 :ALGSDSHTAFTMGEFEECLKILDAVDFPPERI 1hw6A 186 :SWGPLGQGKYDLFGAEPVTAAAAAHGKTPAQA Fragment has 53 clashes (null) has 53 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:1.77829 Ang CA(161) at 5.514 22.555 3.383 in (null):L-9999 (22) and CD1(246) at 3.97588 22.2583 4.22469 in (null):I-9999 (32) other bump:2.19236 Ang CB(162) at 4.63083 22.4623 2.14242 in (null):L-9999 (22) and CD1(246) at 3.97588 22.2583 4.22469 in (null):I-9999 (32) other bump:2.63828 Ang C(159) at 5.712 23.848 5.416 in (null):I-9999 (21) and CD1(246) at 3.97588 22.2583 4.22469 in (null):I-9999 (32) other bump:1.73652 Ang N(160) at 5.077 23.6 4.278 in (null):L-9999 (22) and CD1(246) at 3.97588 22.2583 4.22469 in (null):I-9999 (32) other bump:2.96674 Ang CA(161) at 5.514 22.555 3.383 in (null):L-9999 (22) and CG1(244) at 3.63505 21.1118 5.16857 in (null):I-9999 (32) other bump:3.01057 Ang N(160) at 5.077 23.6 4.278 in (null):L-9999 (22) and CG1(244) at 3.63505 21.1118 5.16857 in (null):I-9999 (32) other bump:2.68603 Ang CG(210) at 3.43153 16.1798 1.39182 in (null):P-9999 (28) and CD(234) at 4.19861 14.3104 3.16157 in (null):R-9999 (31) other bump:2.67833 Ang CD(211) at 4.85912 16.5009 1.76906 in (null):P-9999 (28) and CD(234) at 4.19861 14.3104 3.16157 in (null):R-9999 (31) other bump:2.70669 Ang CG(210) at 3.43153 16.1798 1.39182 in (null):P-9999 (28) and CG(233) at 2.82009 14.756 3.61113 in (null):R-9999 (31) other bump:2.23922 Ang CD2(165) at 4.27982 21.6806 -0.206922 in (null):L-9999 (22) and CD(218) at 2.29 20.677 -0.425 in (null):P-9999 (29) other bump:2.56855 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and C(213) at 2.81 19.246 1.543 in (null):P-9999 (28) other bump:2.31669 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and CA(208) at 3.81 18.456 0.718 in (null):P-9999 (28) other bump:2.16801 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and N(207) at 4.85 17.977 1.617 in (null):P-9999 (28) other bump:3.05974 Ang CG(163) at 5.15766 21.5544 1.02084 in (null):L-9999 (22) and C(206) at 5.914 18.727 1.913 in (null):F-9999 (27) other bump:1.59487 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and C(206) at 5.914 18.727 1.913 in (null):F-9999 (27) other bump:2.01533 Ang CG(163) at 5.15766 21.5544 1.02084 in (null):L-9999 (22) and O(205) at 6.124 19.831 1.418 in (null):F-9999 (27) other bump:0.941235 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and O(205) at 6.124 19.831 1.418 in (null):F-9999 (27) other bump:2.51369 Ang CG1(184) at 8.08281 19.4121 7.30429 in (null):V-9999 (25) and CZ(204) at 8.21159 16.9421 7.75271 in (null):F-9999 (27) other bump:2.62947 Ang CB(183) at 8.30249 20.8682 6.93658 in (null):V-9999 (25) and CE1(202) at 8.3963 18.2721 7.34394 in (null):F-9999 (27) other bump:1.18299 Ang CG1(184) at 8.08281 19.4121 7.30429 in (null):V-9999 (25) and CE1(202) at 8.3963 18.2721 7.34394 in (null):F-9999 (27) other bump:2.31881 Ang CB(183) at 8.30249 20.8682 6.93658 in (null):V-9999 (25) and CD1(200) at 7.70502 18.7498 6.20682 in (null):F-9999 (27) other bump:1.33635 Ang CG1(184) at 8.08281 19.4121 7.30429 in (null):V-9999 (25) and CD1(200) at 7.70502 18.7498 6.20682 in (null):F-9999 (27) other bump:2.65445 Ang CG1(184) at 8.08281 19.4121 7.30429 in (null):V-9999 (25) and CG(199) at 6.84046 17.92 5.49428 in (null):F-9999 (27) other bump:2.9271 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and CA(197) at 6.892 18.151 2.91 in (null):F-9999 (27) other bump:2.55741 Ang CE2(107) at -4.61145 25.4291 3.43092 in (null):F-9999 (15) and SG(132) at -2.33295 25.0252 4.51979 in (null):C-9999 (18) other bump:1.30935 Ang CE1(106) at -2.76104 26.2556 4.65174 in (null):F-9999 (15) and SG(132) at -2.33295 25.0252 4.51979 in (null):C-9999 (18) other bump:1.37609 Ang CZ(108) at -3.68478 25.2543 4.40276 in (null):F-9999 (15) and SG(132) at -2.33295 25.0252 4.51979 in (null):C-9999 (18) other bump:2.51814 Ang CD1(104) at -2.79627 27.4249 3.91302 in (null):F-9999 (15) and SG(132) at -2.33295 25.0252 4.51979 in (null):C-9999 (18) other bump:2.43758 Ang CE1(106) at -2.76104 26.2556 4.65174 in (null):F-9999 (15) and CB(131) at -0.901219 25.255 3.43445 in (null):C-9999 (18) other bump:2.94718 Ang CZ(108) at -3.68478 25.2543 4.40276 in (null):F-9999 (15) and CB(131) at -0.901219 25.255 3.43445 in (null):C-9999 (18) other bump:2.92033 Ang CD1(104) at -2.79627 27.4249 3.91302 in (null):F-9999 (15) and CB(131) at -0.901219 25.255 3.43445 in (null):C-9999 (18) other bump:2.93105 Ang CA(80) at -6.104 24.812 0.985 in (null):M-9999 (12) and CE2(107) at -4.61145 25.4291 3.43092 in (null):F-9999 (15) other bump:2.74859 Ang C(86) at -4.6 24.685 0.785 in (null):M-9999 (12) and CE2(107) at -4.61145 25.4291 3.43092 in (null):F-9999 (15) other bump:2.86327 Ang CG(82) at -6.35345 23.2083 2.94953 in (null):M-9999 (12) and CE2(107) at -4.61145 25.4291 3.43092 in (null):F-9999 (15) other bump:2.05504 Ang O(85) at -3.813 25.238 1.547 in (null):M-9999 (12) and CE2(107) at -4.61145 25.4291 3.43092 in (null):F-9999 (15) other bump:2.86287 Ang CA(80) at -6.104 24.812 0.985 in (null):M-9999 (12) and CD2(105) at -4.66245 26.6055 2.68834 in (null):F-9999 (15) other bump:2.70461 Ang C(86) at -4.6 24.685 0.785 in (null):M-9999 (12) and CD2(105) at -4.66245 26.6055 2.68834 in (null):F-9999 (15) other bump:1.97339 Ang O(85) at -3.813 25.238 1.547 in (null):M-9999 (12) and CD2(105) at -4.66245 26.6055 2.68834 in (null):F-9999 (15) other bump:2.20377 Ang CG2(75) at -5.77724 26.5382 -3.88339 in (null):T-9999 (11) and OE1(96) at -4.90497 28.0667 -5.20985 in (null):E-9999 (14) other bump:2.25005 Ang CG2(75) at -5.77724 26.5382 -3.88339 in (null):T-9999 (11) and CD(95) at -4.21415 27.0438 -5.42088 in (null):E-9999 (14) other bump:2.55341 Ang CG2(75) at -5.77724 26.5382 -3.88339 in (null):T-9999 (11) and CG(94) at -3.26736 26.5347 -4.35285 in (null):E-9999 (14) other bump:2.89644 Ang CA(26) at -8.163 18.692 3.956 in (null):D-9999 (5) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:2.22612 Ang OG(36) at -10.082 21.8214 1.47826 in (null):S-9999 (6) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:1.4982 Ang O(31) at -8.916 19.917 2.042 in (null):D-9999 (5) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:2.03476 Ang C(32) at -9.163 19.538 3.186 in (null):D-9999 (5) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:2.83376 Ang N(33) at -10.29 19.847 3.816 in (null):S-9999 (6) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:2.388 Ang CB(35) at -10.3846 22.0073 2.84983 in (null):S-9999 (6) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:3.22272 Ang CA(26) at -8.163 18.692 3.956 in (null):D-9999 (5) and SD(83) at -6.63984 21.4487 3.27293 in (null):M-9999 (12) other bump:2.70534 Ang CB(35) at -10.3846 22.0073 2.84983 in (null):S-9999 (6) and CE1(67) at -11.277 24.536 3.208 in (null):F-9999 (10) neighbor-bump: 1.63233 Ang O(47) at -13.366 18.653 -1.478 in (null):H-9999 (7) and OG1(53) at -12.543 18.1617 -2.79929 in (null):T-9999 (8) neighbor-bump: 2.21309 Ang C(48) at -12.442 18.774 -0.675 in (null):H-9999 (7) and OG1(53) at -12.543 18.1617 -2.79929 in (null):T-9999 (8) other bump:2.21398 Ang CA(16) at -12.645 16.143 5.879 in (null):G-9999 (3) and NE2(46) at -13.9068 15.7428 4.10431 in (null):H-9999 (7) other bump:2.81482 Ang CA(16) at -12.645 16.143 5.879 in (null):G-9999 (3) and CD2(43) at -13.1946 16.4022 3.13056 in (null):H-9999 (7) T0147_twice 233 :SRGMAPIAEFADLMYPV 1hw6A 218 :VLRWHLQKGFVVFPKSV Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.14163 Ang O(103) at -6.795 8.387 4.262 in (null):M-9999 (14) and CD(121) at -6.53277 7.121 2.55465 in (null):P-9999 (16) other bump:2.04767 Ang NH2(16) at -3.6139 12.7368 2.38386 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:2.74769 Ang CG(11) at -2.77293 14.7525 6.57642 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:1.61022 Ang CD(12) at -2.27986 13.6802 5.64184 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:0.367035 Ang NE(13) at -3.15795 13.5532 4.47386 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:0.971932 Ang CZ(14) at -2.8158 12.8019 3.44414 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:1.96511 Ang NH1(15) at -1.69701 12.0582 3.47864 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:3.31548 Ang NH2(16) at -3.6139 12.7368 2.38386 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:2.8327 Ang CG(11) at -2.77293 14.7525 6.57642 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:1.70964 Ang CD(12) at -2.27986 13.6802 5.64184 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:1.82484 Ang NE(13) at -3.15795 13.5532 4.47386 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:2.24142 Ang CZ(14) at -2.8158 12.8019 3.44414 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:2.4414 Ang NH1(15) at -1.69701 12.0582 3.47864 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:3.07691 Ang CD(12) at -2.27986 13.6802 5.64184 in (null):R-9999 (2) and CG(100) at -4.69696 11.8037 5.9642 in (null):M-9999 (14) other bump:2.76593 Ang NE(13) at -3.15795 13.5532 4.47386 in (null):R-9999 (2) and CG(100) at -4.69696 11.8037 5.9642 in (null):M-9999 (14) neighbor-bump: 2.86511 Ang OD1(85) at -6.60326 11.6517 8.4537 in (null):D-9999 (12) and C(96) at -8.133 9.696 7.024 in (null):L-9999 (13) other bump:1.59312 Ang O(17) at -1.833 16.261 10.62 in (null):R-9999 (2) and CD(40) at -2.03632 16.2829 12.1999 in (null):P-9999 (6) other bump:2.75888 Ang C(18) at -1.34 16.606 9.55 in (null):R-9999 (2) and CD(40) at -2.03632 16.2829 12.1999 in (null):P-9999 (6) other bump:2.94759 Ang C(22) at 0.08 18.248 11.61 in (null):G-9999 (3) and CD(40) at -2.03632 16.2829 12.1999 in (null):P-9999 (6) other bump:2.20342 Ang O(17) at -1.833 16.261 10.62 in (null):R-9999 (2) and CG(39) at -1.33809 14.9406 12.3131 in (null):P-9999 (6) other bump:3.2262 Ang C(18) at -1.34 16.606 9.55 in (null):R-9999 (2) and CG(39) at -1.33809 14.9406 12.3131 in (null):P-9999 (6) T0147_twice 272 :AKQKGIKLFAI 1hw6A 235 :RRERLEENLDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0147_twice 380 :PKYEIDVKAVAEAAAKH 1hw6A 246 :FDFDLTDTEIAAIDAMD Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.71858 Ang O(100) at -4.979 28.23 10.128 in (null):A-9999 (13) and CB(114) at -6.60256 28.958 8.0726 in (null):K-9999 (16) other bump:2.73334 Ang CG2(43) at 3.66495 24.1137 12.2889 in (null):I-9999 (5) and CB(73) at 4.532 26.526 11.34 in (null):A-9999 (9) neighbor-bump: 1.6333 Ang C(1) at 4.323 12.693 10.246 in (null):G-9999 (0) and CD(6) at 4.41838 11.0816 9.99683 in (null):P-9999 (1) self-bump: 1.3322 Ang N(2) at 5.283 11.877 10.625 in (null):P-9999 (1) and CD(6) at 4.41838 11.0816 9.99683 in (null):P-9999 (1) neighbor-bump: 2.70615 Ang C(1) at 4.323 12.693 10.246 in (null):G-9999 (0) and CG(5) at 4.05838 10.1531 11.1416 in (null):P-9999 (1) self-bump: 2.17679 Ang N(2) at 5.283 11.877 10.625 in (null):P-9999 (1) and CG(5) at 4.05838 10.1531 11.1416 in (null):P-9999 (1) Number of specific fragments= 15 total=225 Number of alignments=16 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1hzyA/T0147_twice-1hzyA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1hzyA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1hzyA/T0147_twice-1hzyA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # adding 1hzyA to template set 1hzyA:Skipped atom 583, because occupancy 0.5 <= existing 0.500001 Skipped atom 585, because occupancy 0.5 <= existing 0.500001 Skipped atom 587, because occupancy 0.5 <= existing 0.500001 Skipped atom 594, because occupancy 0.5 <= existing 0.500001 Skipped atom 979, because occupancy 0.5 <= existing 0.500001 Skipped atom 981, because occupancy 0.5 <= existing 0.500001 Skipped atom 983, because occupancy 0.5 <= existing 0.500001 Skipped atom 985, because occupancy 0.5 <= existing 0.500001 Skipped atom 1243, because occupancy 0.5 <= existing 0.500001 Skipped atom 1245, because occupancy 0.5 <= existing 0.500001 Skipped atom 1247, because occupancy 0.5 <= existing 0.500001 Skipped atom 1439, because occupancy 0.3 <= existing 0.700001 Skipped atom 1558, because occupancy 0.5 <= existing 0.500001 Skipped atom 1584, because occupancy 0.5 <= existing 0.500001 Skipped atom 1586, because occupancy 0.5 <= existing 0.500001 Skipped atom 1588, because occupancy 0.5 <= existing 0.500001 Skipped atom 1994, because occupancy 0.33 <= existing 0.330001 Skipped atom 1995, because occupancy 0.33 <= existing 0.330001 Skipped atom 1997, because occupancy 0.33 <= existing 0.330001 Skipped atom 1998, because occupancy 0.33 <= existing 0.330001 Skipped atom 2000, because occupancy 0.33 <= existing 0.330001 Skipped atom 2001, because occupancy 0.33 <= existing 0.330001 Skipped atom 2003, because occupancy 0.33 <= existing 0.330001 Skipped atom 2004, because occupancy 0.33 <= existing 0.330001 Skipped atom 2509, because occupancy 0.5 <= existing 0.500001 # found chain 1hzyA in template set T0147_twice 3 :PVD 1hzyA 36 :RIN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 6 :LHMHTVAST 1hzyA 54 :THEHICGSS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.76623 Ang O(0) at 37.479 2.583 30.817 in (null):G-9999 (0) and CE(25) at 36.7512 1.03238 31.2477 in (null):M-9999 (3) other bump:2.6815 Ang C(1) at 38.189 3.271 31.582 in (null):G-9999 (0) and CE(25) at 36.7512 1.03238 31.2477 in (null):M-9999 (3) T0147_twice 15 :H 1hzyA 64 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 17 :YSTLSDYIAQAKQ 1hzyA 73 :FGSRKALAEKAVR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.26244 Ang OG(17) at 32.2146 -20.8801 35.737 in (null):S-9999 (2) and OD2(46) at 31.3854 -19.997 37.6478 in (null):D-9999 (6) other bump:2.86599 Ang OG(17) at 32.2146 -20.8801 35.737 in (null):S-9999 (2) and CG(44) at 30.5742 -19.1199 37.2941 in (null):D-9999 (6) other bump:2.69512 Ang OG(17) at 32.2146 -20.8801 35.737 in (null):S-9999 (2) and CB(43) at 30.0955 -19.2196 35.8634 in (null):D-9999 (6) neighbor-bump: 2.50777 Ang O(18) at 31.913 -23.92 33.421 in (null):S-9999 (2) and CG2(23) at 29.4339 -23.5449 33.4676 in (null):T-9999 (3) self-bump: 1.31718 Ang CA(15) at 33.377 -22.554 34.856 in (null):S-9999 (2) and CB(16) at 32.7722 -22.1629 35.9588 in (null):S-9999 (2) T0147_twice 45 :EDAPHHW 1hzyA 86 :GLRRARA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.36574 Ang CB(26) at 30.735 -3.848 42.77 in (null):P-9999 (4) and NE1(59) at 30.3475 -1.8966 44.0501 in (null):W-9999 (7) other bump:3.18482 Ang CG(27) at 29.926 -4.987 43.406 in (null):P-9999 (4) and NE1(59) at 30.3475 -1.8966 44.0501 in (null):W-9999 (7) other bump:2.25861 Ang CA(25) at 29.841 -2.837 42.06 in (null):P-9999 (4) and NE1(59) at 30.3475 -1.8966 44.0501 in (null):W-9999 (7) other bump:2.4841 Ang C(30) at 30.632 -1.628 41.597 in (null):P-9999 (4) and NE1(59) at 30.3475 -1.8966 44.0501 in (null):W-9999 (7) other bump:2.18664 Ang O(29) at 30.775 -0.604 42.339 in (null):P-9999 (4) and NE1(59) at 30.3475 -1.8966 44.0501 in (null):W-9999 (7) other bump:2.64209 Ang O(29) at 30.775 -0.604 42.339 in (null):P-9999 (4) and CE2(57) at 30.7726 -0.953853 44.9578 in (null):W-9999 (7) other bump:2.95895 Ang CB(26) at 30.735 -3.848 42.77 in (null):P-9999 (4) and CD1(55) at 29.1666 -1.44502 43.4918 in (null):W-9999 (7) other bump:2.10775 Ang CA(25) at 29.841 -2.837 42.06 in (null):P-9999 (4) and CD1(55) at 29.1666 -1.44502 43.4918 in (null):W-9999 (7) other bump:2.40237 Ang C(30) at 30.632 -1.628 41.597 in (null):P-9999 (4) and CD1(55) at 29.1666 -1.44502 43.4918 in (null):W-9999 (7) other bump:2.15021 Ang O(29) at 30.775 -0.604 42.339 in (null):P-9999 (4) and CD1(55) at 29.1666 -1.44502 43.4918 in (null):W-9999 (7) T0147_twice 60 :PRVVDGVGI 1hzyA 93 :AGVRTIVDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0147_twice 106 :APHDKATNTQAMIATIASGNVHIISHPGNPK 1hzyA 102 :STFDIGRDVSLLAEVSRAADVHIVAATGLWF Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.40058 Ang CG(27) at 45.406 -10.374 19.244 in (null):D-9999 (4) and CD(213) at 45.2785 -7.97726 19.1972 in (null):P-9999 (30) other bump:1.42974 Ang OD2(29) at 44.726 -9.272 18.947 in (null):D-9999 (4) and CD(213) at 45.2785 -7.97726 19.1972 in (null):P-9999 (30) neighbor-bump: 2.46704 Ang CA(202) at 45.475 -6.378 17.329 in (null):N-9999 (29) and CD(213) at 45.2785 -7.97726 19.1972 in (null):P-9999 (30) other bump:2.75648 Ang OD1(28) at 46.565 -10.369 19.669 in (null):D-9999 (4) and CD(213) at 45.2785 -7.97726 19.1972 in (null):P-9999 (30) self-bump: 1.38996 Ang N(209) at 46.439 -7.225 19.336 in (null):P-9999 (30) and CD(213) at 45.2785 -7.97726 19.1972 in (null):P-9999 (30) other bump:2.65131 Ang CG(10) at 43.2103 -6.82774 21.3528 in (null):P-9999 (2) and CG(212) at 45.1106 -8.52493 20.6195 in (null):P-9999 (30) other bump:2.32345 Ang CG(27) at 45.406 -10.374 19.244 in (null):D-9999 (4) and CG(212) at 45.1106 -8.52493 20.6195 in (null):P-9999 (30) other bump:1.87173 Ang OD2(29) at 44.726 -9.272 18.947 in (null):D-9999 (4) and CG(212) at 45.1106 -8.52493 20.6195 in (null):P-9999 (30) other bump:2.53365 Ang OD1(28) at 46.565 -10.369 19.669 in (null):D-9999 (4) and CG(212) at 45.1106 -8.52493 20.6195 in (null):P-9999 (30) other bump:2.78582 Ang CG(27) at 45.406 -10.374 19.244 in (null):D-9999 (4) and CB(211) at 46.5283 -8.6682 21.1391 in (null):P-9999 (30) other bump:2.2484 Ang OD1(28) at 46.565 -10.369 19.669 in (null):D-9999 (4) and CB(211) at 46.5283 -8.6682 21.1391 in (null):P-9999 (30) neighbor-bump: 2.06309 Ang C(189) at 38.012 -3.04 19.258 in (null):H-9999 (26) and CD(194) at 38.0334 -1.28644 18.1713 in (null):P-9999 (27) neighbor-bump: 2.45244 Ang CA(181) at 37.806 -2.151 20.455 in (null):H-9999 (26) and CD(194) at 38.0334 -1.28644 18.1713 in (null):P-9999 (27) other bump:2.37751 Ang CG1(113) at 28.4582 -3.51793 28.0668 in (null):I-9999 (16) and CD1(163) at 30.519 -3.926 29.18 in (null):I-9999 (23) other bump:2.79833 Ang CE(87) at 33.2627 -4.37971 25.1302 in (null):M-9999 (12) and CG2(162) at 32.388 -2.585 27.091 in (null):I-9999 (23) other bump:2.97074 Ang CD1(115) at 28.9024 -3.15837 26.6543 in (null):I-9999 (16) and CG1(161) at 30.638 -2.397 28.942 in (null):I-9999 (23) other bump:2.60268 Ang CG1(113) at 28.4582 -3.51793 28.0668 in (null):I-9999 (16) and CG1(161) at 30.638 -2.397 28.942 in (null):I-9999 (23) other bump:2.58421 Ang CD1(115) at 28.9024 -3.15837 26.6543 in (null):I-9999 (16) and CB(160) at 31.029 -1.971 27.518 in (null):I-9999 (23) other bump:3.05009 Ang CG1(113) at 28.4582 -3.51793 28.0668 in (null):I-9999 (16) and CB(160) at 31.029 -1.971 27.518 in (null):I-9999 (23) other bump:2.58158 Ang CG2(114) at 26.4498 -1.9596 28.2293 in (null):I-9999 (16) and O(146) at 27.545 -0.682 30.187 in (null):V-9999 (21) other bump:2.54266 Ang CB(4) at 39.128 -7.606 24.665 in (null):A-9999 (1) and OG1(50) at 38.2429 -8.20917 22.3589 in (null):T-9999 (7) other bump:2.18115 Ang O(5) at 38.848 -6.132 22.082 in (null):A-9999 (1) and OG1(50) at 38.2429 -8.20917 22.3589 in (null):T-9999 (7) other bump:2.36657 Ang C(6) at 39.898 -6.535 22.601 in (null):A-9999 (1) and OG1(50) at 38.2429 -8.20917 22.3589 in (null):T-9999 (7) neighbor-bump: 2.1537 Ang O(39) at 40.615 -12.153 24.435 in (null):K-9999 (5) and CB(43) at 39.9915 -14.0467 23.6205 in (null):A-9999 (6) neighbor-bump: 2.44749 Ang C(40) at 41.1 -11.883 23.338 in (null):K-9999 (5) and CB(43) at 39.9915 -14.0467 23.6205 in (null):A-9999 (6) other bump:2.7647 Ang CG(10) at 43.2103 -6.82774 21.3528 in (null):P-9999 (2) and CG(35) at 43.4287 -8.72183 23.3548 in (null):K-9999 (5) other bump:2.26649 Ang CD(11) at 42.2575 -6.97664 22.5065 in (null):P-9999 (2) and CG(35) at 43.4287 -8.72183 23.3548 in (null):K-9999 (5) other bump:2.89348 Ang CD(11) at 42.2575 -6.97664 22.5065 in (null):P-9999 (2) and CB(34) at 42.2225 -9.62047 23.6818 in (null):K-9999 (5) T0147_twice 137 :YEIDVKAVAEAAAK 1hzyA 143 :VEELTQFFLREIQY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.2983 Ang CE2(9) at 50.9069 0.195573 3.00839 in (null):Y-9999 (1) and OE1(19) at 49.849 -0.724 1.187 in (null):E-9999 (2) neighbor-bump: 2.73161 Ang CZ(10) at 50.06 1.24647 3.067 in (null):Y-9999 (1) and OE1(19) at 49.849 -0.724 1.187 in (null):E-9999 (2) neighbor-bump: 2.99985 Ang CE2(9) at 50.9069 0.195573 3.00839 in (null):Y-9999 (1) and CD(18) at 49.01 -1.556 1.481 in (null):E-9999 (2) T0147_twice 151 :HQVALEINNSS 1hzyA 164 :RAGIIKVATTG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.01381 Ang O(78) at 58.693 -6.733 23.641 in (null):S-9999 (10) and OG(83) at 60.5343 -6.40226 24.3865 in (null):S-9999 (11) neighbor-bump: 2.65399 Ang C(79) at 58.018 -5.72 23.89 in (null):S-9999 (10) and OG(83) at 60.5343 -6.40226 24.3865 in (null):S-9999 (11) neighbor-bump: 2.12609 Ang O(78) at 58.693 -6.733 23.641 in (null):S-9999 (10) and CB(82) at 60.4624 -5.64371 23.1906 in (null):S-9999 (11) neighbor-bump: 2.54365 Ang C(79) at 58.018 -5.72 23.89 in (null):S-9999 (10) and CB(82) at 60.4624 -5.64371 23.1906 in (null):S-9999 (11) neighbor-bump: 2.7052 Ang CG2(54) at 49.9383 -0.913066 18.6848 in (null):I-9999 (7) and N(58) at 49.743 -3.127 20.227 in (null):N-9999 (8) other bump:2.52133 Ang CG(15) at 36.8944 -0.29137 17.8227 in (null):Q-9999 (2) and O(31) at 39.068 0.414 18.888 in (null):A-9999 (4) other bump:2.18606 Ang CD(16) at 38.1407 -1.14431 17.6671 in (null):Q-9999 (2) and O(31) at 39.068 0.414 18.888 in (null):A-9999 (4) T0147_twice 164 :HSRKGSEDNCREVAAAVRDAGGWVAL 1hzyA 175 :KATPFQELVLKAAARASLATGVPVTT Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.12945 Ang CE3(167) at 42.3797 4.9848 22.628 in (null):W-9999 (23) and CB(183) at 44.28 2.751 23.72 in (null):A-9999 (25) other bump:2.13793 Ang CZ3(170) at 42.4966 3.91315 23.5212 in (null):W-9999 (23) and CB(183) at 44.28 2.751 23.72 in (null):A-9999 (25) other bump:3.00955 Ang CH2(171) at 41.3571 3.33721 24.133 in (null):W-9999 (23) and CB(183) at 44.28 2.751 23.72 in (null):A-9999 (25) neighbor-bump: 3.09632 Ang CE3(167) at 42.3797 4.9848 22.628 in (null):W-9999 (23) and C(180) at 44.878 4.443 20.881 in (null):V-9999 (24) other bump:2.45473 Ang CG2(125) at 43.3216 5.41576 15.2382 in (null):V-9999 (17) and CG2(178) at 44.963 4.91 16.992 in (null):V-9999 (24) other bump:3.07791 Ang CG1(102) at 45.7589 2.15804 15.7933 in (null):V-9999 (13) and CG1(177) at 46.389 3.45 18.515 in (null):V-9999 (24) T0147_twice 194 :HTAFTMGEFEECLKILDAVDFPPERI 1hzyA 201 :HTAASQRDGEQQAAIFESEGLSPSRV Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.94173 Ang CD2(103) at 53.3136 8.98132 20.8616 in (null):L-9999 (13) and CD1(209) at 50.5969 8.413 19.8869 in (null):I-9999 (26) other bump:2.85324 Ang CD2(164) at 48.1446 9.12073 16.4343 in (null):F-9999 (21) and CG2(208) at 47.7819 7.66526 18.8615 in (null):I-9999 (26) other bump:1.87289 Ang CE2(166) at 47.3286 8.91427 17.5415 in (null):F-9999 (21) and CG2(208) at 47.7819 7.66526 18.8615 in (null):I-9999 (26) other bump:2.5434 Ang CZ(167) at 45.9954 8.68878 17.3682 in (null):F-9999 (21) and CG2(208) at 47.7819 7.66526 18.8615 in (null):I-9999 (26) other bump:3.10454 Ang CE2(166) at 47.3286 8.91427 17.5415 in (null):F-9999 (21) and CB(206) at 48.1523 7.84419 20.337 in (null):I-9999 (26) other bump:2.80554 Ang CZ(167) at 45.9954 8.68878 17.3682 in (null):F-9999 (21) and C(203) at 45.097 9.382 19.934 in (null):R-9999 (25) other bump:2.70379 Ang CE1(165) at 45.4667 8.70174 16.1052 in (null):F-9999 (21) and CB(195) at 44.396 10.446 17.872 in (null):R-9999 (25) other bump:2.42896 Ang CZ(167) at 45.9954 8.68878 17.3682 in (null):F-9999 (21) and CB(195) at 44.396 10.446 17.872 in (null):R-9999 (25) other bump:3.16865 Ang CZ(167) at 45.9954 8.68878 17.3682 in (null):F-9999 (21) and CA(194) at 44.549 10.68 19.364 in (null):R-9999 (25) neighbor-bump: 2.82583 Ang CE2(166) at 47.3286 8.91427 17.5415 in (null):F-9999 (21) and O(175) at 47.525 11.732 17.626 in (null):P-9999 (22) other bump:2.03889 Ang CE1(30) at 53.3544 3.23468 29.3541 in (null):F-9999 (4) and CZ(71) at 52.6056 3.78604 27.5397 in (null):F-9999 (9) other bump:2.51047 Ang CZ(32) at 52.2878 2.37814 29.5938 in (null):F-9999 (4) and CZ(71) at 52.6056 3.78604 27.5397 in (null):F-9999 (9) other bump:2.08904 Ang CE1(30) at 53.3544 3.23468 29.3541 in (null):F-9999 (4) and CE2(70) at 53.413 4.79109 27.9619 in (null):F-9999 (9) other bump:3.12272 Ang CZ(32) at 52.2878 2.37814 29.5938 in (null):F-9999 (4) and CE2(70) at 53.413 4.79109 27.9619 in (null):F-9999 (9) other bump:3.08871 Ang CE1(30) at 53.3544 3.23468 29.3541 in (null):F-9999 (4) and CE1(69) at 52.7998 3.21971 26.3157 in (null):F-9999 (9) other bump:2.36722 Ang CG2(15) at 53.683 1.236 25.373 in (null):T-9999 (2) and CE1(69) at 52.7998 3.21971 26.3157 in (null):F-9999 (9) other bump:2.457 Ang CG2(15) at 53.683 1.236 25.373 in (null):T-9999 (2) and CD1(67) at 53.8524 3.68459 25.485 in (null):F-9999 (9) other bump:2.20221 Ang CB(21) at 57.844 -3.532 27.263 in (null):A-9999 (3) and OE2(60) at 57.1734 -3.37416 25.1713 in (null):E-9999 (8) other bump:2.39287 Ang CA(13) at 53.751 -1.252 26.087 in (null):T-9999 (2) and OE1(59) at 55.4211 -2.11649 24.6074 in (null):E-9999 (8) other bump:2.73294 Ang C(18) at 54.463 -2.048 27.166 in (null):T-9999 (2) and OE1(59) at 55.4211 -2.11649 24.6074 in (null):E-9999 (8) other bump:3.21186 Ang CA(20) at 56.784 -2.664 27.936 in (null):A-9999 (3) and CD(58) at 56.6524 -2.31936 24.7454 in (null):E-9999 (8) other bump:3.03787 Ang CB(21) at 57.844 -3.532 27.263 in (null):A-9999 (3) and CD(58) at 56.6524 -2.31936 24.7454 in (null):E-9999 (8) other bump:2.4343 Ang N(19) at 55.791 -2.094 27.011 in (null):A-9999 (3) and CD(58) at 56.6524 -2.31936 24.7454 in (null):E-9999 (8) other bump:2.891 Ang OG1(16) at 53.877 0.609 27.761 in (null):T-9999 (2) and CE2(31) at 52.5008 1.17079 30.2406 in (null):F-9999 (4) T0147_twice 349 :VFAPHDKATNTQAMIATIASGNVHIISHPGNPKYEIDVKAVAEAA 1hzyA 227 :CIGHSDDTDDLSYLTALAARGYLIGLDHIPHSAIGLEDNASASAL Fragment has 107 clashes (null) has 107 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.23986 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and N(327) at 54.101 -11.163 36.119 in (null):A-9999 (45) other bump:2.88422 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and CA(323) at 56.425 -11.687 36.571 in (null):A-9999 (44) other bump:2.03313 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and N(322) at 56.058 -12.023 37.917 in (null):A-9999 (44) other bump:2.26882 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and C(321) at 55.889 -11.073 38.852 in (null):E-9999 (43) other bump:2.58415 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and C(321) at 55.889 -11.073 38.852 in (null):E-9999 (43) other bump:2.77422 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and C(321) at 55.889 -11.073 38.852 in (null):E-9999 (43) other bump:2.21167 Ang O(278) at 58.361 -14.447 44.778 in (null):D-9999 (37) and OE2(319) at 58.3511 -13.4497 42.804 in (null):E-9999 (43) other bump:1.96715 Ang O(278) at 58.361 -14.447 44.778 in (null):D-9999 (37) and OE1(318) at 57.1967 -12.8754 44.568 in (null):E-9999 (43) other bump:1.66406 Ang C(279) at 57.492 -14.151 45.595 in (null):D-9999 (37) and OE1(318) at 57.1967 -12.8754 44.568 in (null):E-9999 (43) other bump:1.34933 Ang CA(273) at 57.117 -12.696 45.903 in (null):D-9999 (37) and OE1(318) at 57.1967 -12.8754 44.568 in (null):E-9999 (43) other bump:2.66285 Ang CB(274) at 58.1486 -12.0969 46.9299 in (null):D-9999 (37) and OE1(318) at 57.1967 -12.8754 44.568 in (null):E-9999 (43) other bump:2.36449 Ang O(278) at 58.361 -14.447 44.778 in (null):D-9999 (37) and CD(317) at 57.3717 -12.8696 43.3207 in (null):E-9999 (43) other bump:2.61327 Ang C(279) at 57.492 -14.151 45.595 in (null):D-9999 (37) and CD(317) at 57.3717 -12.8696 43.3207 in (null):E-9999 (43) other bump:2.60068 Ang CA(273) at 57.117 -12.696 45.903 in (null):D-9999 (37) and CD(317) at 57.3717 -12.8696 43.3207 in (null):E-9999 (43) other bump:3.11843 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and CB(315) at 56.7049 -12.0183 40.9962 in (null):E-9999 (43) other bump:2.59906 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and CA(314) at 55.492 -11.593 40.199 in (null):E-9999 (43) other bump:3.11062 Ang CG(237) at 52.8731 -10.2797 41.2443 in (null):K-9999 (33) and CA(314) at 55.492 -11.593 40.199 in (null):E-9999 (43) other bump:1.77609 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and CA(314) at 55.492 -11.593 40.199 in (null):E-9999 (43) other bump:2.64297 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and CA(314) at 55.492 -11.593 40.199 in (null):E-9999 (43) other bump:2.05968 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and N(313) at 54.527 -12.68 40.055 in (null):E-9999 (43) other bump:3.14821 Ang CG(237) at 52.8731 -10.2797 41.2443 in (null):K-9999 (33) and N(313) at 54.527 -12.68 40.055 in (null):E-9999 (43) other bump:1.76095 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and N(313) at 54.527 -12.68 40.055 in (null):E-9999 (43) other bump:2.16231 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and N(313) at 54.527 -12.68 40.055 in (null):E-9999 (43) other bump:1.58816 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and C(312) at 53.316 -12.432 39.509 in (null):A-9999 (42) other bump:2.79997 Ang CG(237) at 52.8731 -10.2797 41.2443 in (null):K-9999 (33) and C(312) at 53.316 -12.432 39.509 in (null):A-9999 (42) other bump:1.64224 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and C(312) at 53.316 -12.432 39.509 in (null):A-9999 (42) other bump:1.16686 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and C(312) at 53.316 -12.432 39.509 in (null):A-9999 (42) other bump:1.70405 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and O(311) at 52.987 -11.299 39.142 in (null):A-9999 (42) other bump:2.33916 Ang CG(237) at 52.8731 -10.2797 41.2443 in (null):K-9999 (33) and O(311) at 52.987 -11.299 39.142 in (null):A-9999 (42) other bump:1.471 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and O(311) at 52.987 -11.299 39.142 in (null):A-9999 (42) other bump:0.217076 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and O(311) at 52.987 -11.299 39.142 in (null):A-9999 (42) other bump:2.5523 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and CA(309) at 52.363 -13.611 39.391 in (null):A-9999 (42) other bump:3.03844 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and CA(309) at 52.363 -13.611 39.391 in (null):A-9999 (42) other bump:2.38214 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and CA(309) at 52.363 -13.611 39.391 in (null):A-9999 (42) other bump:2.29006 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and O(306) at 53.428 -14.003 36.898 in (null):V-9999 (41) neighbor-bump: 2.03554 Ang O(253) at 51.904 -8.668 47.767 in (null):Y-9999 (34) and CB(257) at 51.6973 -9.72848 49.4921 in (null):E-9999 (35) neighbor-bump: 2.51339 Ang C(254) at 53.129 -8.652 47.729 in (null):Y-9999 (34) and CB(257) at 51.6973 -9.72848 49.4921 in (null):E-9999 (35) other bump:2.14184 Ang O(217) at 47.092 -4.329 42.004 in (null):G-9999 (30) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) other bump:2.4801 Ang C(218) at 47.16 -3.39 41.191 in (null):G-9999 (30) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) neighbor-bump: 2.53427 Ang N(219) at 47.934 -3.392 40.109 in (null):N-9999 (31) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) neighbor-bump: 2.23471 Ang CA(220) at 48.788 -4.525 39.787 in (null):N-9999 (31) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) neighbor-bump: 2.35779 Ang O(225) at 50.923 -3.721 40.547 in (null):N-9999 (31) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) neighbor-bump: 1.54549 Ang C(226) at 50.039 -4.582 40.666 in (null):N-9999 (31) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) neighbor-bump: 2.40448 Ang O(225) at 50.923 -3.721 40.547 in (null):N-9999 (31) and CG(230) at 50.1783 -3.72679 42.8333 in (null):P-9999 (32) neighbor-bump: 2.33405 Ang C(226) at 50.039 -4.582 40.666 in (null):N-9999 (31) and CG(230) at 50.1783 -3.72679 42.8333 in (null):P-9999 (32) other bump:2.87889 Ang CA(199) at 48.014 -0.84 36.075 in (null):H-9999 (28) and ND2(223) at 47.6996 -3.6159 36.7704 in (null):N-9999 (31) other bump:2.81268 Ang C(197) at 46.514 0.434 34.67 in (null):S-9999 (27) and CD(212) at 46.3655 1.2939 37.3439 in (null):P-9999 (29) neighbor-bump: 2.56449 Ang N(198) at 47.673 0.369 35.341 in (null):H-9999 (28) and CD(212) at 46.3655 1.2939 37.3439 in (null):P-9999 (29) other bump:2.32996 Ang CE(55) at 51.696 -2.75299 31.9425 in (null):K-9999 (7) and CE1(204) at 49.813 -3.724 32.912 in (null):H-9999 (28) other bump:2.30626 Ang CE(55) at 51.696 -2.75299 31.9425 in (null):K-9999 (7) and ND1(203) at 50.294 -2.83 33.772 in (null):H-9999 (28) other bump:3.48802 Ang NZ(56) at 51.5461 -3.22369 30.5404 in (null):K-9999 (7) and ND1(203) at 50.294 -2.83 33.772 in (null):H-9999 (28) other bump:1.90413 Ang CG2(180) at 45.9154 3.76255 30.1605 in (null):I-9999 (25) and OG(195) at 45.5349 2.63756 31.6489 in (null):S-9999 (27) other bump:2.80502 Ang CB(44) at 51.39 3.278 36.177 in (null):D-9999 (6) and CG2(188) at 49.2909 5.13389 36.3089 in (null):I-9999 (26) other bump:2.91784 Ang CD2(170) at 51.2371 8.01066 32.3309 in (null):H-9999 (24) and CG1(187) at 49.7077 6.85964 34.5332 in (null):I-9999 (26) other bump:3.08493 Ang NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) and CG1(187) at 49.7077 6.85964 34.5332 in (null):I-9999 (26) other bump:2.87517 Ang CB(4) at 45.861 6.27949 25.3187 in (null):V-9999 (1) and CD1(181) at 45.747 6.14652 28.1885 in (null):I-9999 (25) other bump:1.50376 Ang CG1(5) at 46.1584 5.88082 26.7667 in (null):V-9999 (1) and CD1(181) at 45.747 6.14652 28.1885 in (null):I-9999 (25) other bump:1.70426 Ang CG1(5) at 46.1584 5.88082 26.7667 in (null):V-9999 (1) and CG1(179) at 46.6949 4.96711 28.1015 in (null):I-9999 (25) other bump:2.3831 Ang CB(34) at 51.9606 5.02953 31.1768 in (null):H-9999 (5) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:0.518851 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:1.40521 Ang CG(35) at 52.7501 6.24972 31.5551 in (null):H-9999 (5) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:2.67334 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:1.87952 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:2.22834 Ang CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:1.69333 Ang CB(34) at 51.9606 5.02953 31.1768 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:1.25702 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:2.9549 Ang CA(33) at 52.716 3.612 31.511 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:0.358754 Ang CG(35) at 52.7501 6.24972 31.5551 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:1.39283 Ang ND1(37) at 53.9162 6.61761 30.9098 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:2.11645 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:2.06376 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:2.99037 Ang CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:2.41076 Ang CB(34) at 51.9606 5.02953 31.1768 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:2.11018 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:1.64001 Ang CG(35) at 52.7501 6.24972 31.5551 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:1.9465 Ang ND1(37) at 53.9162 6.61761 30.9098 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:2.49561 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:2.57283 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:1.57892 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and CD2(170) at 51.2371 8.01066 32.3309 in (null):H-9999 (24) other bump:2.44784 Ang CG(35) at 52.7501 6.24972 31.5551 in (null):H-9999 (5) and CD2(170) at 51.2371 8.01066 32.3309 in (null):H-9999 (24) other bump:2.36981 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CD2(170) at 51.2371 8.01066 32.3309 in (null):H-9999 (24) other bump:2.57916 Ang CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) and CD2(170) at 51.2371 8.01066 32.3309 in (null):H-9999 (24) other bump:2.26882 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and CG(169) at 51.2789 8.24585 30.9998 in (null):H-9999 (24) other bump:2.54112 Ang CG(35) at 52.7501 6.24972 31.5551 in (null):H-9999 (5) and CG(169) at 51.2789 8.24585 30.9998 in (null):H-9999 (24) other bump:2.75287 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CG(169) at 51.2789 8.24585 30.9998 in (null):H-9999 (24) other bump:3.04562 Ang CG2(6) at 44.7604 7.38918 25.2943 in (null):V-9999 (1) and CG1(162) at 45.7876 9.49853 27.2363 in (null):V-9999 (23) other bump:2.33191 Ang CE2(16) at 52.2906 8.19746 22.6613 in (null):F-9999 (2) and OD1(156) at 51.7695 10.2527 21.6906 in (null):N-9999 (22) other bump:3.10976 Ang CG2(124) at 53.9771 10.0093 25.4609 in (null):T-9999 (17) and ND2(155) at 53.5396 11.2552 22.6455 in (null):N-9999 (22) other bump:2.57404 Ang CE2(16) at 52.2906 8.19746 22.6613 in (null):F-9999 (2) and CG(154) at 52.3053 10.7714 22.6741 in (null):N-9999 (22) other bump:3.09874 Ang CE2(16) at 52.2906 8.19746 22.6613 in (null):F-9999 (2) and CB(153) at 51.5639 10.9038 23.9842 in (null):N-9999 (22) other bump:1.86573 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) other bump:2.5214 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) other bump:1.28096 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) other bump:2.99284 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and SD(104) at 55.0709 7.82512 34.0225 in (null):M-9999 (14) other bump:2.6326 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and SD(104) at 55.0709 7.82512 34.0225 in (null):M-9999 (14) other bump:2.15408 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and SD(104) at 55.0709 7.82512 34.0225 in (null):M-9999 (14) other bump:1.74576 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and CG(103) at 55.8422 8.05522 32.4098 in (null):M-9999 (14) other bump:2.24035 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CG(103) at 55.8422 8.05522 32.4098 in (null):M-9999 (14) other bump:2.3125 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and CB(102) at 55.7826 9.50991 31.9369 in (null):M-9999 (14) other bump:2.66885 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CB(102) at 55.7826 9.50991 31.9369 in (null):M-9999 (14) other bump:3.01894 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and CA(101) at 56.464 9.747 30.624 in (null):M-9999 (14) other bump:2.66825 Ang CB(27) at 50.3665 -0.878983 31.0203 in (null):P-9999 (4) and NZ(56) at 51.5461 -3.22369 30.5404 in (null):K-9999 (7) other bump:2.47587 Ang CB(27) at 50.3665 -0.878983 31.0203 in (null):P-9999 (4) and CE(55) at 51.696 -2.75299 31.9425 in (null):K-9999 (7) neighbor-bump: 2.51043 Ang CB(22) at 48.4858 1.04268 27.2509 in (null):A-9999 (3) and CD(29) at 50.1162 0.0384903 28.8743 in (null):P-9999 (4) neighbor-bump: 2.05343 Ang O(23) at 51.465 1.488 28.33 in (null):A-9999 (3) and CD(29) at 50.1162 0.0384903 28.8743 in (null):P-9999 (4) neighbor-bump: 1.59091 Ang C(24) at 50.314 1.612 28.748 in (null):A-9999 (3) and CD(29) at 50.1162 0.0384903 28.8743 in (null):P-9999 (4) self-bump: 2.21659 Ang CA(26) at 50.652 0.505 30.974 in (null):P-9999 (4) and CD(29) at 50.1162 0.0384903 28.8743 in (null):P-9999 (4) T0147_twice 410 :SRKGSEDNCREVAAAVRDAGG 1hzyA 272 :LGIRSWQTRALLIKALIDQGY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 2.48524 Ang O(6) at 52.918 -5.84 39.07 in (null):S-9999 (1) and CG(11) at 54.6856 -4.46939 37.9867 in (null):R-9999 (2) neighbor-bump: 2.07672 Ang O(6) at 52.918 -5.84 39.07 in (null):S-9999 (1) and CB(10) at 54.8097 -5.04314 39.3848 in (null):R-9999 (2) neighbor-bump: 2.57092 Ang C(7) at 53.245 -7.003 38.819 in (null):S-9999 (1) and CB(10) at 54.8097 -5.04314 39.3848 in (null):R-9999 (2) T0147_twice 431 :WVALGSDS 1hzyA 295 :QILVSNDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0147_twice 443 :TMGEFEECLKILDAVDFPPERILNVSPRRLLNFLESRGMAPI 1hzyA 303 :LFGFSSYVTNIMDVMDRVNPDGMAFIPLRVIPFLREKGVPQE Fragment has 45 clashes (null) has 45 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.91395 Ang CZ(166) at 40.1459 0.257454 46.2847 in (null):R-9999 (21) and CD(230) at 40.715 1.521 48.848 in (null):R-9999 (29) other bump:2.63827 Ang NE(165) at 39.5659 -0.869846 46.66 in (null):R-9999 (21) and CG(229) at 40.922 1.288 47.342 in (null):R-9999 (29) other bump:1.66804 Ang CZ(166) at 40.1459 0.257454 46.2847 in (null):R-9999 (21) and CG(229) at 40.922 1.288 47.342 in (null):R-9999 (29) other bump:1.73612 Ang NH2(168) at 41.4612 0.192942 46.1074 in (null):R-9999 (21) and CG(229) at 40.922 1.288 47.342 in (null):R-9999 (29) other bump:2.68273 Ang CZ(166) at 40.1459 0.257454 46.2847 in (null):R-9999 (21) and CB(228) at 41.784 2.351 46.646 in (null):R-9999 (29) other bump:2.46033 Ang NH1(167) at 39.5724 1.44389 46.0637 in (null):R-9999 (21) and CB(228) at 41.784 2.351 46.646 in (null):R-9999 (29) other bump:2.24755 Ang NH2(168) at 41.4612 0.192942 46.1074 in (null):R-9999 (21) and CB(228) at 41.784 2.351 46.646 in (null):R-9999 (29) other bump:2.07146 Ang NH1(167) at 39.5724 1.44389 46.0637 in (null):R-9999 (21) and N(226) at 39.757 3.501 45.905 in (null):R-9999 (29) other bump:2.55261 Ang NH1(167) at 39.5724 1.44389 46.0637 in (null):R-9999 (21) and C(225) at 38.623 3.758 46.573 in (null):R-9999 (28) other bump:2.75631 Ang CG(163) at 37.9998 -2.74661 46.5282 in (null):R-9999 (21) and NH2(223) at 35.8873 -2.19781 48.2114 in (null):R-9999 (28) other bump:2.56105 Ang CA(161) at 37.809 -4.244 44.596 in (null):R-9999 (21) and NH1(222) at 36.4706 -2.60356 46.0371 in (null):R-9999 (28) other bump:2.00211 Ang CB(162) at 38.1652 -2.90816 45.0153 in (null):R-9999 (21) and NH1(222) at 36.4706 -2.60356 46.0371 in (null):R-9999 (28) other bump:1.61244 Ang CG(163) at 37.9998 -2.74661 46.5282 in (null):R-9999 (21) and NH1(222) at 36.4706 -2.60356 46.0371 in (null):R-9999 (28) other bump:2.38427 Ang CD(164) at 38.242 -1.3074 46.9681 in (null):R-9999 (21) and NH1(222) at 36.4706 -2.60356 46.0371 in (null):R-9999 (28) other bump:2.30257 Ang CG(163) at 37.9998 -2.74661 46.5282 in (null):R-9999 (21) and CZ(221) at 35.9492 -1.79029 46.955 in (null):R-9999 (28) other bump:2.34321 Ang CD(164) at 38.242 -1.3074 46.9681 in (null):R-9999 (21) and CZ(221) at 35.9492 -1.79029 46.955 in (null):R-9999 (28) other bump:2.94274 Ang CB(189) at 35.0923 -0.771826 42.5553 in (null):N-9999 (24) and CD(219) at 35.4419 0.0432911 45.3611 in (null):R-9999 (28) other bump:2.62911 Ang NH1(167) at 39.5724 1.44389 46.0637 in (null):R-9999 (21) and CB(217) at 36.9913 1.93749 45.9831 in (null):R-9999 (28) neighbor-bump: 2.28569 Ang CG2(175) at 38.5726 -5.52536 38.6244 in (null):I-9999 (22) and N(179) at 37.604 -3.586 39.349 in (null):L-9999 (23) other bump:2.89461 Ang CE(14) at 35.9349 -8.61239 37.58 in (null):M-9999 (2) and CD1(176) at 38.037 -8.48502 39.5659 in (null):I-9999 (22) other bump:2.80443 Ang OD2(123) at 39.428 -10.728 40.514 in (null):D-9999 (16) and CD1(176) at 38.037 -8.48502 39.5659 in (null):I-9999 (22) self-bump: 1.33618 Ang CA(172) at 38.557 -5.083 40.965 in (null):I-9999 (22) and CB(173) at 38.2538 -5.98491 40.0269 in (null):I-9999 (22) other bump:2.14534 Ang O(135) at 43.644 -9.94 47.227 in (null):F-9999 (17) and OE2(157) at 41.8868 -9.70945 48.4359 in (null):E-9999 (20) other bump:2.48721 Ang O(116) at 43.447 -9.783 42.464 in (null):V-9999 (15) and CD(148) at 44.2672 -7.5556 43.2071 in (null):P-9999 (19) self-bump: 2.25011 Ang CA(145) at 42.624 -6.654 44.452 in (null):P-9999 (19) and CD(148) at 44.2672 -7.5556 43.2071 in (null):P-9999 (19) neighbor-bump: 2.77225 Ang CB(139) at 46.2748 -9.19652 44.188 in (null):P-9999 (18) and CD(148) at 44.2672 -7.5556 43.2071 in (null):P-9999 (19) self-bump: 2.1343 Ang CA(145) at 42.624 -6.654 44.452 in (null):P-9999 (19) and CG(147) at 43.8081 -6.19494 42.7367 in (null):P-9999 (19) other bump:2.74032 Ang C(110) at 45.212 -13.253 42.355 in (null):A-9999 (14) and CD(141) at 45.0318 -11.2242 44.1883 in (null):P-9999 (18) other bump:3.20961 Ang CA(112) at 44.591 -11.335 41.011 in (null):V-9999 (15) and CD(141) at 45.0318 -11.2242 44.1883 in (null):P-9999 (18) other bump:2.87546 Ang C(117) at 43.398 -10.849 41.852 in (null):V-9999 (15) and CD(141) at 45.0318 -11.2242 44.1883 in (null):P-9999 (18) other bump:1.58442 Ang O(109) at 45.307 -12.554 43.372 in (null):A-9999 (14) and CD(141) at 45.0318 -11.2242 44.1883 in (null):P-9999 (18) other bump:3.25445 Ang C(110) at 45.212 -13.253 42.355 in (null):A-9999 (14) and CG(140) at 46.4145 -10.6623 43.915 in (null):P-9999 (18) other bump:2.25834 Ang O(109) at 45.307 -12.554 43.372 in (null):A-9999 (14) and CG(140) at 46.4145 -10.6623 43.915 in (null):P-9999 (18) other bump:3.02508 Ang CD(54) at 47.2877 -13.6761 33.5682 in (null):E-9999 (7) and CG2(86) at 45.688 -15.64 35.222 in (null):I-9999 (11) other bump:2.56882 Ang OE1(55) at 47.6891 -14.1263 34.6715 in (null):E-9999 (7) and CG2(86) at 45.688 -15.64 35.222 in (null):I-9999 (11) other bump:3.12353 Ang CD(54) at 47.2877 -13.6761 33.5682 in (null):E-9999 (7) and CG1(85) at 47.138 -14.156 36.651 in (null):I-9999 (11) other bump:2.05503 Ang OE1(55) at 47.6891 -14.1263 34.6715 in (null):E-9999 (7) and CG1(85) at 47.138 -14.156 36.651 in (null):I-9999 (11) other bump:2.48584 Ang OE1(55) at 47.6891 -14.1263 34.6715 in (null):E-9999 (7) and CB(84) at 46.649 -15.58 36.399 in (null):I-9999 (11) self-bump: 2.18896 Ang CB(67) at 44.4979 -21.5318 34.8495 in (null):L-9999 (9) and C(72) at 45.615 -20.623 36.498 in (null):L-9999 (9) self-bump: 1.26262 Ang CA(66) at 45.701 -21.251 35.11 in (null):L-9999 (9) and CB(67) at 44.4979 -21.5318 34.8495 in (null):L-9999 (9) other bump:1.76904 Ang CD(25) at 44.8895 -12.4845 32.9407 in (null):E-9999 (4) and OE2(56) at 46.5688 -12.6466 33.4729 in (null):E-9999 (7) other bump:2.26226 Ang OE2(27) at 44.9934 -11.2923 32.5775 in (null):E-9999 (4) and OE2(56) at 46.5688 -12.6466 33.4729 in (null):E-9999 (7) other bump:1.22495 Ang OE1(26) at 45.4783 -12.9583 33.9357 in (null):E-9999 (4) and OE2(56) at 46.5688 -12.6466 33.4729 in (null):E-9999 (7) other bump:2.75047 Ang CD(25) at 44.8895 -12.4845 32.9407 in (null):E-9999 (4) and CD(54) at 47.2877 -13.6761 33.5682 in (null):E-9999 (7) other bump:1.98096 Ang OE1(26) at 45.4783 -12.9583 33.9357 in (null):E-9999 (4) and CD(54) at 47.2877 -13.6761 33.5682 in (null):E-9999 (7) T0147_twice 485 :AEFAD 1hzyA 360 :PTLRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 16 total=241 Number of alignments=17 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1hzyA/T0147_twice-1hzyA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1hzyA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1hzyA/T0147_twice-1hzyA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1hzyA in template set T0147_twice 3 :PVD 1hzyA 36 :RIN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 6 :LHMHTVAST 1hzyA 54 :THEHICGSS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.76623 Ang O(0) at 37.479 2.583 30.817 in (null):G-9999 (0) and CE(25) at 36.7512 1.03238 31.2477 in (null):M-9999 (3) other bump:2.6815 Ang C(1) at 38.189 3.271 31.582 in (null):G-9999 (0) and CE(25) at 36.7512 1.03238 31.2477 in (null):M-9999 (3) T0147_twice 15 :H 1hzyA 64 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 17 :YSTLSDYIAQA 1hzyA 73 :FGSRKALAEKA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.26244 Ang OG(17) at 32.2146 -20.8801 35.737 in (null):S-9999 (2) and OD2(46) at 31.3854 -19.997 37.6478 in (null):D-9999 (6) other bump:2.86599 Ang OG(17) at 32.2146 -20.8801 35.737 in (null):S-9999 (2) and CG(44) at 30.5742 -19.1199 37.2941 in (null):D-9999 (6) other bump:2.69512 Ang OG(17) at 32.2146 -20.8801 35.737 in (null):S-9999 (2) and CB(43) at 30.0955 -19.2196 35.8634 in (null):D-9999 (6) neighbor-bump: 2.50777 Ang O(18) at 31.913 -23.92 33.421 in (null):S-9999 (2) and CG2(23) at 29.4339 -23.5449 33.4676 in (null):T-9999 (3) self-bump: 1.31718 Ang CA(15) at 33.377 -22.554 34.856 in (null):S-9999 (2) and CB(16) at 32.7722 -22.1629 35.9588 in (null):S-9999 (2) T0147_twice 56 :MRIW 1hzyA 84 :VRGL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.55344 Ang O(0) at 30.361 -7.596 35.879 in (null):G-9999 (0) and CD1(33) at 30.8329 -6.02256 33.9241 in (null):W-9999 (4) T0147_twice 60 :PRVVDGVGILRGI 1hzyA 89 :RARAAGVRTIVDV Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.78366 Ang CG(12) at 33.4817 0.183598 37.9762 in (null):R-9999 (2) and CG2(50) at 33.853 2.942 37.93 in (null):V-9999 (7) other bump:3.13339 Ang NE(14) at 35.1886 0.657875 36.2516 in (null):R-9999 (2) and CG2(50) at 33.853 2.942 37.93 in (null):V-9999 (7) other bump:2.98104 Ang CZ(15) at 34.8273 1.64075 35.4312 in (null):R-9999 (2) and CG2(50) at 33.853 2.942 37.93 in (null):V-9999 (7) other bump:1.1969 Ang NH1(16) at 33.5643 1.75961 35.0322 in (null):R-9999 (2) and CG1(49) at 33.089 2.723 35.56 in (null):V-9999 (7) other bump:3.0251 Ang NE(14) at 35.1886 0.657875 36.2516 in (null):R-9999 (2) and CG1(49) at 33.089 2.723 35.56 in (null):V-9999 (7) other bump:2.05169 Ang CZ(15) at 34.8273 1.64075 35.4312 in (null):R-9999 (2) and CG1(49) at 33.089 2.723 35.56 in (null):V-9999 (7) other bump:2.6985 Ang NH2(17) at 35.7277 2.52678 35.0302 in (null):R-9999 (2) and CG1(49) at 33.089 2.723 35.56 in (null):V-9999 (7) other bump:2.46304 Ang NH1(16) at 33.5643 1.75961 35.0322 in (null):R-9999 (2) and CB(48) at 32.626 2.878 37.016 in (null):V-9999 (7) other bump:2.98562 Ang CG(12) at 33.4817 0.183598 37.9762 in (null):R-9999 (2) and CB(48) at 32.626 2.878 37.016 in (null):V-9999 (7) other bump:2.79567 Ang CA(10) at 31.952 -0.54 39.898 in (null):R-9999 (2) and OD2(39) at 32.2524 2.11571 40.7182 in (null):D-9999 (5) other bump:1.30277 Ang O(18) at 31.292 1.804 39.895 in (null):R-9999 (2) and OD2(39) at 32.2524 2.11571 40.7182 in (null):D-9999 (5) other bump:2.21832 Ang C(19) at 30.988 0.641 39.647 in (null):R-9999 (2) and OD2(39) at 32.2524 2.11571 40.7182 in (null):D-9999 (5) other bump:3.16924 Ang CA(10) at 31.952 -0.54 39.898 in (null):R-9999 (2) and CG(37) at 32.9204 1.85182 41.738 in (null):D-9999 (5) other bump:2.45978 Ang O(18) at 31.292 1.804 39.895 in (null):R-9999 (2) and CG(37) at 32.9204 1.85182 41.738 in (null):D-9999 (5) other bump:3.09393 Ang C(19) at 30.988 0.641 39.647 in (null):R-9999 (2) and CG(37) at 32.9204 1.85182 41.738 in (null):D-9999 (5) T0147_twice 106 :APHDKATNTQAMIATIASGNVHIISHPGNPK 1hzyA 102 :STFDIGRDVSLLAEVSRAADVHIVAATGLWF Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.40058 Ang CG(27) at 45.406 -10.374 19.244 in (null):D-9999 (4) and CD(213) at 45.2785 -7.97726 19.1972 in (null):P-9999 (30) other bump:1.42974 Ang OD2(29) at 44.726 -9.272 18.947 in (null):D-9999 (4) and CD(213) at 45.2785 -7.97726 19.1972 in (null):P-9999 (30) neighbor-bump: 2.46704 Ang CA(202) at 45.475 -6.378 17.329 in (null):N-9999 (29) and CD(213) at 45.2785 -7.97726 19.1972 in (null):P-9999 (30) other bump:2.75648 Ang OD1(28) at 46.565 -10.369 19.669 in (null):D-9999 (4) and CD(213) at 45.2785 -7.97726 19.1972 in (null):P-9999 (30) self-bump: 1.38996 Ang N(209) at 46.439 -7.225 19.336 in (null):P-9999 (30) and CD(213) at 45.2785 -7.97726 19.1972 in (null):P-9999 (30) other bump:2.65131 Ang CG(10) at 43.2103 -6.82774 21.3528 in (null):P-9999 (2) and CG(212) at 45.1106 -8.52493 20.6195 in (null):P-9999 (30) other bump:2.32345 Ang CG(27) at 45.406 -10.374 19.244 in (null):D-9999 (4) and CG(212) at 45.1106 -8.52493 20.6195 in (null):P-9999 (30) other bump:1.87173 Ang OD2(29) at 44.726 -9.272 18.947 in (null):D-9999 (4) and CG(212) at 45.1106 -8.52493 20.6195 in (null):P-9999 (30) other bump:2.53365 Ang OD1(28) at 46.565 -10.369 19.669 in (null):D-9999 (4) and CG(212) at 45.1106 -8.52493 20.6195 in (null):P-9999 (30) other bump:2.78582 Ang CG(27) at 45.406 -10.374 19.244 in (null):D-9999 (4) and CB(211) at 46.5283 -8.6682 21.1391 in (null):P-9999 (30) other bump:2.2484 Ang OD1(28) at 46.565 -10.369 19.669 in (null):D-9999 (4) and CB(211) at 46.5283 -8.6682 21.1391 in (null):P-9999 (30) neighbor-bump: 2.06309 Ang C(189) at 38.012 -3.04 19.258 in (null):H-9999 (26) and CD(194) at 38.0334 -1.28644 18.1713 in (null):P-9999 (27) neighbor-bump: 2.45244 Ang CA(181) at 37.806 -2.151 20.455 in (null):H-9999 (26) and CD(194) at 38.0334 -1.28644 18.1713 in (null):P-9999 (27) other bump:2.37751 Ang CG1(113) at 28.4582 -3.51793 28.0668 in (null):I-9999 (16) and CD1(163) at 30.519 -3.926 29.18 in (null):I-9999 (23) other bump:2.79833 Ang CE(87) at 33.2627 -4.37971 25.1302 in (null):M-9999 (12) and CG2(162) at 32.388 -2.585 27.091 in (null):I-9999 (23) other bump:2.97074 Ang CD1(115) at 28.9024 -3.15837 26.6543 in (null):I-9999 (16) and CG1(161) at 30.638 -2.397 28.942 in (null):I-9999 (23) other bump:2.60268 Ang CG1(113) at 28.4582 -3.51793 28.0668 in (null):I-9999 (16) and CG1(161) at 30.638 -2.397 28.942 in (null):I-9999 (23) other bump:2.58421 Ang CD1(115) at 28.9024 -3.15837 26.6543 in (null):I-9999 (16) and CB(160) at 31.029 -1.971 27.518 in (null):I-9999 (23) other bump:3.05009 Ang CG1(113) at 28.4582 -3.51793 28.0668 in (null):I-9999 (16) and CB(160) at 31.029 -1.971 27.518 in (null):I-9999 (23) other bump:2.58158 Ang CG2(114) at 26.4498 -1.9596 28.2293 in (null):I-9999 (16) and O(146) at 27.545 -0.682 30.187 in (null):V-9999 (21) other bump:2.54266 Ang CB(4) at 39.128 -7.606 24.665 in (null):A-9999 (1) and OG1(50) at 38.2429 -8.20917 22.3589 in (null):T-9999 (7) other bump:2.18115 Ang O(5) at 38.848 -6.132 22.082 in (null):A-9999 (1) and OG1(50) at 38.2429 -8.20917 22.3589 in (null):T-9999 (7) other bump:2.36657 Ang C(6) at 39.898 -6.535 22.601 in (null):A-9999 (1) and OG1(50) at 38.2429 -8.20917 22.3589 in (null):T-9999 (7) neighbor-bump: 2.1537 Ang O(39) at 40.615 -12.153 24.435 in (null):K-9999 (5) and CB(43) at 39.9915 -14.0467 23.6205 in (null):A-9999 (6) neighbor-bump: 2.44749 Ang C(40) at 41.1 -11.883 23.338 in (null):K-9999 (5) and CB(43) at 39.9915 -14.0467 23.6205 in (null):A-9999 (6) other bump:2.7647 Ang CG(10) at 43.2103 -6.82774 21.3528 in (null):P-9999 (2) and CG(35) at 43.4287 -8.72183 23.3548 in (null):K-9999 (5) other bump:2.26649 Ang CD(11) at 42.2575 -6.97664 22.5065 in (null):P-9999 (2) and CG(35) at 43.4287 -8.72183 23.3548 in (null):K-9999 (5) other bump:2.89348 Ang CD(11) at 42.2575 -6.97664 22.5065 in (null):P-9999 (2) and CB(34) at 42.2225 -9.62047 23.6818 in (null):K-9999 (5) T0147_twice 137 :YEIDVKAVAEAAA 1hzyA 143 :VEELTQFFLREIQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.2983 Ang CE2(9) at 50.9069 0.195573 3.00839 in (null):Y-9999 (1) and OE1(19) at 49.849 -0.724 1.187 in (null):E-9999 (2) neighbor-bump: 2.73161 Ang CZ(10) at 50.06 1.24647 3.067 in (null):Y-9999 (1) and OE1(19) at 49.849 -0.724 1.187 in (null):E-9999 (2) neighbor-bump: 2.99985 Ang CE2(9) at 50.9069 0.195573 3.00839 in (null):Y-9999 (1) and CD(18) at 49.01 -1.556 1.481 in (null):E-9999 (2) T0147_twice 150 :KHQV 1hzyA 160 :DTGI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 154 :ALEINNSS 1hzyA 167 :IIKVATTG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.01381 Ang O(52) at 58.693 -6.733 23.641 in (null):S-9999 (7) and OG(57) at 60.5343 -6.40226 24.3865 in (null):S-9999 (8) neighbor-bump: 2.65399 Ang C(53) at 58.018 -5.72 23.89 in (null):S-9999 (7) and OG(57) at 60.5343 -6.40226 24.3865 in (null):S-9999 (8) neighbor-bump: 2.12609 Ang O(52) at 58.693 -6.733 23.641 in (null):S-9999 (7) and CB(56) at 60.4624 -5.64371 23.1906 in (null):S-9999 (8) neighbor-bump: 2.54365 Ang C(53) at 58.018 -5.72 23.89 in (null):S-9999 (7) and CB(56) at 60.4624 -5.64371 23.1906 in (null):S-9999 (8) neighbor-bump: 2.7052 Ang CG2(28) at 49.9383 -0.913066 18.6848 in (null):I-9999 (4) and N(32) at 49.743 -3.127 20.227 in (null):N-9999 (5) T0147_twice 164 :HSRKGSEDNCREVAAAVRDAGGWVAL 1hzyA 175 :KATPFQELVLKAAARASLATGVPVTT Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.12945 Ang CE3(167) at 42.3797 4.9848 22.628 in (null):W-9999 (23) and CB(183) at 44.28 2.751 23.72 in (null):A-9999 (25) other bump:2.13793 Ang CZ3(170) at 42.4966 3.91315 23.5212 in (null):W-9999 (23) and CB(183) at 44.28 2.751 23.72 in (null):A-9999 (25) other bump:3.00955 Ang CH2(171) at 41.3571 3.33721 24.133 in (null):W-9999 (23) and CB(183) at 44.28 2.751 23.72 in (null):A-9999 (25) neighbor-bump: 3.09632 Ang CE3(167) at 42.3797 4.9848 22.628 in (null):W-9999 (23) and C(180) at 44.878 4.443 20.881 in (null):V-9999 (24) other bump:2.45473 Ang CG2(125) at 43.3216 5.41576 15.2382 in (null):V-9999 (17) and CG2(178) at 44.963 4.91 16.992 in (null):V-9999 (24) other bump:3.07791 Ang CG1(102) at 45.7589 2.15804 15.7933 in (null):V-9999 (13) and CG1(177) at 46.389 3.45 18.515 in (null):V-9999 (24) T0147_twice 194 :HTAFTMGEFEECLKILDAVDFPPERI 1hzyA 201 :HTAASQRDGEQQAAIFESEGLSPSRV Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.94173 Ang CD2(103) at 53.3136 8.98132 20.8616 in (null):L-9999 (13) and CD1(209) at 50.5969 8.413 19.8869 in (null):I-9999 (26) other bump:2.85324 Ang CD2(164) at 48.1446 9.12073 16.4343 in (null):F-9999 (21) and CG2(208) at 47.7819 7.66526 18.8615 in (null):I-9999 (26) other bump:1.87289 Ang CE2(166) at 47.3286 8.91427 17.5415 in (null):F-9999 (21) and CG2(208) at 47.7819 7.66526 18.8615 in (null):I-9999 (26) other bump:2.5434 Ang CZ(167) at 45.9954 8.68878 17.3682 in (null):F-9999 (21) and CG2(208) at 47.7819 7.66526 18.8615 in (null):I-9999 (26) other bump:3.10454 Ang CE2(166) at 47.3286 8.91427 17.5415 in (null):F-9999 (21) and CB(206) at 48.1523 7.84419 20.337 in (null):I-9999 (26) other bump:2.80554 Ang CZ(167) at 45.9954 8.68878 17.3682 in (null):F-9999 (21) and C(203) at 45.097 9.382 19.934 in (null):R-9999 (25) other bump:2.70379 Ang CE1(165) at 45.4667 8.70174 16.1052 in (null):F-9999 (21) and CB(195) at 44.396 10.446 17.872 in (null):R-9999 (25) other bump:2.42896 Ang CZ(167) at 45.9954 8.68878 17.3682 in (null):F-9999 (21) and CB(195) at 44.396 10.446 17.872 in (null):R-9999 (25) other bump:3.16865 Ang CZ(167) at 45.9954 8.68878 17.3682 in (null):F-9999 (21) and CA(194) at 44.549 10.68 19.364 in (null):R-9999 (25) neighbor-bump: 2.82583 Ang CE2(166) at 47.3286 8.91427 17.5415 in (null):F-9999 (21) and O(175) at 47.525 11.732 17.626 in (null):P-9999 (22) other bump:2.03889 Ang CE1(30) at 53.3544 3.23468 29.3541 in (null):F-9999 (4) and CZ(71) at 52.6056 3.78604 27.5397 in (null):F-9999 (9) other bump:2.51047 Ang CZ(32) at 52.2878 2.37814 29.5938 in (null):F-9999 (4) and CZ(71) at 52.6056 3.78604 27.5397 in (null):F-9999 (9) other bump:2.08904 Ang CE1(30) at 53.3544 3.23468 29.3541 in (null):F-9999 (4) and CE2(70) at 53.413 4.79109 27.9619 in (null):F-9999 (9) other bump:3.12272 Ang CZ(32) at 52.2878 2.37814 29.5938 in (null):F-9999 (4) and CE2(70) at 53.413 4.79109 27.9619 in (null):F-9999 (9) other bump:3.08871 Ang CE1(30) at 53.3544 3.23468 29.3541 in (null):F-9999 (4) and CE1(69) at 52.7998 3.21971 26.3157 in (null):F-9999 (9) other bump:2.36722 Ang CG2(15) at 53.683 1.236 25.373 in (null):T-9999 (2) and CE1(69) at 52.7998 3.21971 26.3157 in (null):F-9999 (9) other bump:2.457 Ang CG2(15) at 53.683 1.236 25.373 in (null):T-9999 (2) and CD1(67) at 53.8524 3.68459 25.485 in (null):F-9999 (9) other bump:2.20221 Ang CB(21) at 57.844 -3.532 27.263 in (null):A-9999 (3) and OE2(60) at 57.1734 -3.37416 25.1713 in (null):E-9999 (8) other bump:2.39287 Ang CA(13) at 53.751 -1.252 26.087 in (null):T-9999 (2) and OE1(59) at 55.4211 -2.11649 24.6074 in (null):E-9999 (8) other bump:2.73294 Ang C(18) at 54.463 -2.048 27.166 in (null):T-9999 (2) and OE1(59) at 55.4211 -2.11649 24.6074 in (null):E-9999 (8) other bump:3.21186 Ang CA(20) at 56.784 -2.664 27.936 in (null):A-9999 (3) and CD(58) at 56.6524 -2.31936 24.7454 in (null):E-9999 (8) other bump:3.03787 Ang CB(21) at 57.844 -3.532 27.263 in (null):A-9999 (3) and CD(58) at 56.6524 -2.31936 24.7454 in (null):E-9999 (8) other bump:2.4343 Ang N(19) at 55.791 -2.094 27.011 in (null):A-9999 (3) and CD(58) at 56.6524 -2.31936 24.7454 in (null):E-9999 (8) other bump:2.891 Ang OG1(16) at 53.877 0.609 27.761 in (null):T-9999 (2) and CE2(31) at 52.5008 1.17079 30.2406 in (null):F-9999 (4) T0147_twice 349 :VFAPHDKATNTQAMIATIASGNVHIISHPGNPKYEIDVKAVAEAA 1hzyA 227 :CIGHSDDTDDLSYLTALAARGYLIGLDHIPHSAIGLEDNASASAL Fragment has 107 clashes (null) has 107 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.23986 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and N(327) at 54.101 -11.163 36.119 in (null):A-9999 (45) other bump:2.88422 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and CA(323) at 56.425 -11.687 36.571 in (null):A-9999 (44) other bump:2.03313 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and N(322) at 56.058 -12.023 37.917 in (null):A-9999 (44) other bump:2.26882 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and C(321) at 55.889 -11.073 38.852 in (null):E-9999 (43) other bump:2.58415 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and C(321) at 55.889 -11.073 38.852 in (null):E-9999 (43) other bump:2.77422 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and C(321) at 55.889 -11.073 38.852 in (null):E-9999 (43) other bump:2.21167 Ang O(278) at 58.361 -14.447 44.778 in (null):D-9999 (37) and OE2(319) at 58.3511 -13.4497 42.804 in (null):E-9999 (43) other bump:1.96715 Ang O(278) at 58.361 -14.447 44.778 in (null):D-9999 (37) and OE1(318) at 57.1967 -12.8754 44.568 in (null):E-9999 (43) other bump:1.66406 Ang C(279) at 57.492 -14.151 45.595 in (null):D-9999 (37) and OE1(318) at 57.1967 -12.8754 44.568 in (null):E-9999 (43) other bump:1.34933 Ang CA(273) at 57.117 -12.696 45.903 in (null):D-9999 (37) and OE1(318) at 57.1967 -12.8754 44.568 in (null):E-9999 (43) other bump:2.66285 Ang CB(274) at 58.1486 -12.0969 46.9299 in (null):D-9999 (37) and OE1(318) at 57.1967 -12.8754 44.568 in (null):E-9999 (43) other bump:2.36449 Ang O(278) at 58.361 -14.447 44.778 in (null):D-9999 (37) and CD(317) at 57.3717 -12.8696 43.3207 in (null):E-9999 (43) other bump:2.61327 Ang C(279) at 57.492 -14.151 45.595 in (null):D-9999 (37) and CD(317) at 57.3717 -12.8696 43.3207 in (null):E-9999 (43) other bump:2.60068 Ang CA(273) at 57.117 -12.696 45.903 in (null):D-9999 (37) and CD(317) at 57.3717 -12.8696 43.3207 in (null):E-9999 (43) other bump:3.11843 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and CB(315) at 56.7049 -12.0183 40.9962 in (null):E-9999 (43) other bump:2.59906 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and CA(314) at 55.492 -11.593 40.199 in (null):E-9999 (43) other bump:3.11062 Ang CG(237) at 52.8731 -10.2797 41.2443 in (null):K-9999 (33) and CA(314) at 55.492 -11.593 40.199 in (null):E-9999 (43) other bump:1.77609 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and CA(314) at 55.492 -11.593 40.199 in (null):E-9999 (43) other bump:2.64297 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and CA(314) at 55.492 -11.593 40.199 in (null):E-9999 (43) other bump:2.05968 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and N(313) at 54.527 -12.68 40.055 in (null):E-9999 (43) other bump:3.14821 Ang CG(237) at 52.8731 -10.2797 41.2443 in (null):K-9999 (33) and N(313) at 54.527 -12.68 40.055 in (null):E-9999 (43) other bump:1.76095 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and N(313) at 54.527 -12.68 40.055 in (null):E-9999 (43) other bump:2.16231 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and N(313) at 54.527 -12.68 40.055 in (null):E-9999 (43) other bump:1.58816 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and C(312) at 53.316 -12.432 39.509 in (null):A-9999 (42) other bump:2.79997 Ang CG(237) at 52.8731 -10.2797 41.2443 in (null):K-9999 (33) and C(312) at 53.316 -12.432 39.509 in (null):A-9999 (42) other bump:1.64224 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and C(312) at 53.316 -12.432 39.509 in (null):A-9999 (42) other bump:1.16686 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and C(312) at 53.316 -12.432 39.509 in (null):A-9999 (42) other bump:1.70405 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and O(311) at 52.987 -11.299 39.142 in (null):A-9999 (42) other bump:2.33916 Ang CG(237) at 52.8731 -10.2797 41.2443 in (null):K-9999 (33) and O(311) at 52.987 -11.299 39.142 in (null):A-9999 (42) other bump:1.471 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and O(311) at 52.987 -11.299 39.142 in (null):A-9999 (42) other bump:0.217076 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and O(311) at 52.987 -11.299 39.142 in (null):A-9999 (42) other bump:2.5523 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and CA(309) at 52.363 -13.611 39.391 in (null):A-9999 (42) other bump:3.03844 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and CA(309) at 52.363 -13.611 39.391 in (null):A-9999 (42) other bump:2.38214 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and CA(309) at 52.363 -13.611 39.391 in (null):A-9999 (42) other bump:2.29006 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and O(306) at 53.428 -14.003 36.898 in (null):V-9999 (41) neighbor-bump: 2.03554 Ang O(253) at 51.904 -8.668 47.767 in (null):Y-9999 (34) and CB(257) at 51.6973 -9.72848 49.4921 in (null):E-9999 (35) neighbor-bump: 2.51339 Ang C(254) at 53.129 -8.652 47.729 in (null):Y-9999 (34) and CB(257) at 51.6973 -9.72848 49.4921 in (null):E-9999 (35) other bump:2.14184 Ang O(217) at 47.092 -4.329 42.004 in (null):G-9999 (30) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) other bump:2.4801 Ang C(218) at 47.16 -3.39 41.191 in (null):G-9999 (30) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) neighbor-bump: 2.53427 Ang N(219) at 47.934 -3.392 40.109 in (null):N-9999 (31) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) neighbor-bump: 2.23471 Ang CA(220) at 48.788 -4.525 39.787 in (null):N-9999 (31) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) neighbor-bump: 2.35779 Ang O(225) at 50.923 -3.721 40.547 in (null):N-9999 (31) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) neighbor-bump: 1.54549 Ang C(226) at 50.039 -4.582 40.666 in (null):N-9999 (31) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) neighbor-bump: 2.40448 Ang O(225) at 50.923 -3.721 40.547 in (null):N-9999 (31) and CG(230) at 50.1783 -3.72679 42.8333 in (null):P-9999 (32) neighbor-bump: 2.33405 Ang C(226) at 50.039 -4.582 40.666 in (null):N-9999 (31) and CG(230) at 50.1783 -3.72679 42.8333 in (null):P-9999 (32) other bump:2.87889 Ang CA(199) at 48.014 -0.84 36.075 in (null):H-9999 (28) and ND2(223) at 47.6996 -3.6159 36.7704 in (null):N-9999 (31) other bump:2.81268 Ang C(197) at 46.514 0.434 34.67 in (null):S-9999 (27) and CD(212) at 46.3655 1.2939 37.3439 in (null):P-9999 (29) neighbor-bump: 2.56449 Ang N(198) at 47.673 0.369 35.341 in (null):H-9999 (28) and CD(212) at 46.3655 1.2939 37.3439 in (null):P-9999 (29) other bump:2.32996 Ang CE(55) at 51.696 -2.75299 31.9425 in (null):K-9999 (7) and CE1(204) at 49.813 -3.724 32.912 in (null):H-9999 (28) other bump:2.30626 Ang CE(55) at 51.696 -2.75299 31.9425 in (null):K-9999 (7) and ND1(203) at 50.294 -2.83 33.772 in (null):H-9999 (28) other bump:3.48802 Ang NZ(56) at 51.5461 -3.22369 30.5404 in (null):K-9999 (7) and ND1(203) at 50.294 -2.83 33.772 in (null):H-9999 (28) other bump:1.90413 Ang CG2(180) at 45.9154 3.76255 30.1605 in (null):I-9999 (25) and OG(195) at 45.5349 2.63756 31.6489 in (null):S-9999 (27) other bump:2.80502 Ang CB(44) at 51.39 3.278 36.177 in (null):D-9999 (6) and CG2(188) at 49.2909 5.13389 36.3089 in (null):I-9999 (26) other bump:2.91784 Ang CD2(170) at 51.2371 8.01066 32.3309 in (null):H-9999 (24) and CG1(187) at 49.7077 6.85964 34.5332 in (null):I-9999 (26) other bump:3.08493 Ang NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) and CG1(187) at 49.7077 6.85964 34.5332 in (null):I-9999 (26) other bump:2.87517 Ang CB(4) at 45.861 6.27949 25.3187 in (null):V-9999 (1) and CD1(181) at 45.747 6.14652 28.1885 in (null):I-9999 (25) other bump:1.50376 Ang CG1(5) at 46.1584 5.88082 26.7667 in (null):V-9999 (1) and CD1(181) at 45.747 6.14652 28.1885 in (null):I-9999 (25) other bump:1.70426 Ang CG1(5) at 46.1584 5.88082 26.7667 in (null):V-9999 (1) and CG1(179) at 46.6949 4.96711 28.1015 in (null):I-9999 (25) other bump:2.3831 Ang CB(34) at 51.9606 5.02953 31.1768 in (null):H-9999 (5) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:0.518851 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:1.40521 Ang CG(35) at 52.7501 6.24972 31.5551 in (null):H-9999 (5) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:2.67334 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:1.87952 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:2.22834 Ang CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:1.69333 Ang CB(34) at 51.9606 5.02953 31.1768 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:1.25702 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:2.9549 Ang CA(33) at 52.716 3.612 31.511 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:0.358754 Ang CG(35) at 52.7501 6.24972 31.5551 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:1.39283 Ang ND1(37) at 53.9162 6.61761 30.9098 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:2.11645 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:2.06376 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:2.99037 Ang CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:2.41076 Ang CB(34) at 51.9606 5.02953 31.1768 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:2.11018 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:1.64001 Ang CG(35) at 52.7501 6.24972 31.5551 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:1.9465 Ang ND1(37) at 53.9162 6.61761 30.9098 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:2.49561 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:2.57283 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:1.57892 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and CD2(170) at 51.2371 8.01066 32.3309 in (null):H-9999 (24) other bump:2.44784 Ang CG(35) at 52.7501 6.24972 31.5551 in (null):H-9999 (5) and CD2(170) at 51.2371 8.01066 32.3309 in (null):H-9999 (24) other bump:2.36981 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CD2(170) at 51.2371 8.01066 32.3309 in (null):H-9999 (24) other bump:2.57916 Ang CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) and CD2(170) at 51.2371 8.01066 32.3309 in (null):H-9999 (24) other bump:2.26882 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and CG(169) at 51.2789 8.24585 30.9998 in (null):H-9999 (24) other bump:2.54112 Ang CG(35) at 52.7501 6.24972 31.5551 in (null):H-9999 (5) and CG(169) at 51.2789 8.24585 30.9998 in (null):H-9999 (24) other bump:2.75287 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CG(169) at 51.2789 8.24585 30.9998 in (null):H-9999 (24) other bump:3.04562 Ang CG2(6) at 44.7604 7.38918 25.2943 in (null):V-9999 (1) and CG1(162) at 45.7876 9.49853 27.2363 in (null):V-9999 (23) other bump:2.33191 Ang CE2(16) at 52.2906 8.19746 22.6613 in (null):F-9999 (2) and OD1(156) at 51.7695 10.2527 21.6906 in (null):N-9999 (22) other bump:3.10976 Ang CG2(124) at 53.9771 10.0093 25.4609 in (null):T-9999 (17) and ND2(155) at 53.5396 11.2552 22.6455 in (null):N-9999 (22) other bump:2.57404 Ang CE2(16) at 52.2906 8.19746 22.6613 in (null):F-9999 (2) and CG(154) at 52.3053 10.7714 22.6741 in (null):N-9999 (22) other bump:3.09874 Ang CE2(16) at 52.2906 8.19746 22.6613 in (null):F-9999 (2) and CB(153) at 51.5639 10.9038 23.9842 in (null):N-9999 (22) other bump:1.86573 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) other bump:2.5214 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) other bump:1.28096 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) other bump:2.99284 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and SD(104) at 55.0709 7.82512 34.0225 in (null):M-9999 (14) other bump:2.6326 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and SD(104) at 55.0709 7.82512 34.0225 in (null):M-9999 (14) other bump:2.15408 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and SD(104) at 55.0709 7.82512 34.0225 in (null):M-9999 (14) other bump:1.74576 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and CG(103) at 55.8422 8.05522 32.4098 in (null):M-9999 (14) other bump:2.24035 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CG(103) at 55.8422 8.05522 32.4098 in (null):M-9999 (14) other bump:2.3125 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and CB(102) at 55.7826 9.50991 31.9369 in (null):M-9999 (14) other bump:2.66885 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CB(102) at 55.7826 9.50991 31.9369 in (null):M-9999 (14) other bump:3.01894 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and CA(101) at 56.464 9.747 30.624 in (null):M-9999 (14) other bump:2.66825 Ang CB(27) at 50.3665 -0.878983 31.0203 in (null):P-9999 (4) and NZ(56) at 51.5461 -3.22369 30.5404 in (null):K-9999 (7) other bump:2.47587 Ang CB(27) at 50.3665 -0.878983 31.0203 in (null):P-9999 (4) and CE(55) at 51.696 -2.75299 31.9425 in (null):K-9999 (7) neighbor-bump: 2.51043 Ang CB(22) at 48.4858 1.04268 27.2509 in (null):A-9999 (3) and CD(29) at 50.1162 0.0384903 28.8743 in (null):P-9999 (4) neighbor-bump: 2.05343 Ang O(23) at 51.465 1.488 28.33 in (null):A-9999 (3) and CD(29) at 50.1162 0.0384903 28.8743 in (null):P-9999 (4) neighbor-bump: 1.59091 Ang C(24) at 50.314 1.612 28.748 in (null):A-9999 (3) and CD(29) at 50.1162 0.0384903 28.8743 in (null):P-9999 (4) self-bump: 2.21659 Ang CA(26) at 50.652 0.505 30.974 in (null):P-9999 (4) and CD(29) at 50.1162 0.0384903 28.8743 in (null):P-9999 (4) T0147_twice 410 :SRKGSEDNCREVAAAVRDAGG 1hzyA 272 :LGIRSWQTRALLIKALIDQGY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 2.48524 Ang O(6) at 52.918 -5.84 39.07 in (null):S-9999 (1) and CG(11) at 54.6856 -4.46939 37.9867 in (null):R-9999 (2) neighbor-bump: 2.07672 Ang O(6) at 52.918 -5.84 39.07 in (null):S-9999 (1) and CB(10) at 54.8097 -5.04314 39.3848 in (null):R-9999 (2) neighbor-bump: 2.57092 Ang C(7) at 53.245 -7.003 38.819 in (null):S-9999 (1) and CB(10) at 54.8097 -5.04314 39.3848 in (null):R-9999 (2) T0147_twice 431 :WVALGSDSHTAFT 1hzyA 295 :QILVSNDWLFGFS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.47949 Ang CB(79) at 38.1175 -15.3021 33.3152 in (null):A-9999 (11) and N(82) at 40.456 -14.782 32.676 in (null):F-9999 (12) self-bump: 2.17456 Ang CB(79) at 38.1175 -15.3021 33.3152 in (null):A-9999 (11) and C(81) at 39.525 -13.821 32.571 in (null):A-9999 (11) self-bump: 1.23434 Ang CA(78) at 38.165 -14.076 33.181 in (null):A-9999 (11) and CB(79) at 38.1175 -15.3021 33.3152 in (null):A-9999 (11) T0147_twice 448 :EECLKILDAVDFPPERILNVSPRRLLNFLESRGMAP 1hzyA 308 :SYVTNIMDVMDRVNPDGMAFIPLRVIPFLREKGVPQ Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.91395 Ang CZ(127) at 40.1459 0.257454 46.2847 in (null):R-9999 (16) and CD(191) at 40.715 1.521 48.848 in (null):R-9999 (24) other bump:2.63827 Ang NE(126) at 39.5659 -0.869846 46.66 in (null):R-9999 (16) and CG(190) at 40.922 1.288 47.342 in (null):R-9999 (24) other bump:1.66804 Ang CZ(127) at 40.1459 0.257454 46.2847 in (null):R-9999 (16) and CG(190) at 40.922 1.288 47.342 in (null):R-9999 (24) other bump:1.73612 Ang NH2(129) at 41.4612 0.192942 46.1074 in (null):R-9999 (16) and CG(190) at 40.922 1.288 47.342 in (null):R-9999 (24) other bump:2.68273 Ang CZ(127) at 40.1459 0.257454 46.2847 in (null):R-9999 (16) and CB(189) at 41.784 2.351 46.646 in (null):R-9999 (24) other bump:2.46033 Ang NH1(128) at 39.5724 1.44389 46.0637 in (null):R-9999 (16) and CB(189) at 41.784 2.351 46.646 in (null):R-9999 (24) other bump:2.24755 Ang NH2(129) at 41.4612 0.192942 46.1074 in (null):R-9999 (16) and CB(189) at 41.784 2.351 46.646 in (null):R-9999 (24) other bump:2.07146 Ang NH1(128) at 39.5724 1.44389 46.0637 in (null):R-9999 (16) and N(187) at 39.757 3.501 45.905 in (null):R-9999 (24) other bump:2.55261 Ang NH1(128) at 39.5724 1.44389 46.0637 in (null):R-9999 (16) and C(186) at 38.623 3.758 46.573 in (null):R-9999 (23) other bump:2.75631 Ang CG(124) at 37.9998 -2.74661 46.5282 in (null):R-9999 (16) and NH2(184) at 35.8873 -2.19781 48.2114 in (null):R-9999 (23) other bump:2.56105 Ang CA(122) at 37.809 -4.244 44.596 in (null):R-9999 (16) and NH1(183) at 36.4706 -2.60356 46.0371 in (null):R-9999 (23) other bump:2.00211 Ang CB(123) at 38.1652 -2.90816 45.0153 in (null):R-9999 (16) and NH1(183) at 36.4706 -2.60356 46.0371 in (null):R-9999 (23) other bump:1.61244 Ang CG(124) at 37.9998 -2.74661 46.5282 in (null):R-9999 (16) and NH1(183) at 36.4706 -2.60356 46.0371 in (null):R-9999 (23) other bump:2.38427 Ang CD(125) at 38.242 -1.3074 46.9681 in (null):R-9999 (16) and NH1(183) at 36.4706 -2.60356 46.0371 in (null):R-9999 (23) other bump:2.30257 Ang CG(124) at 37.9998 -2.74661 46.5282 in (null):R-9999 (16) and CZ(182) at 35.9492 -1.79029 46.955 in (null):R-9999 (23) other bump:2.34321 Ang CD(125) at 38.242 -1.3074 46.9681 in (null):R-9999 (16) and CZ(182) at 35.9492 -1.79029 46.955 in (null):R-9999 (23) other bump:2.94274 Ang CB(150) at 35.0923 -0.771826 42.5553 in (null):N-9999 (19) and CD(180) at 35.4419 0.0432911 45.3611 in (null):R-9999 (23) other bump:2.62911 Ang NH1(128) at 39.5724 1.44389 46.0637 in (null):R-9999 (16) and CB(178) at 36.9913 1.93749 45.9831 in (null):R-9999 (23) neighbor-bump: 2.28569 Ang CG2(136) at 38.5726 -5.52536 38.6244 in (null):I-9999 (17) and N(140) at 37.604 -3.586 39.349 in (null):L-9999 (18) other bump:2.80443 Ang OD2(84) at 39.428 -10.728 40.514 in (null):D-9999 (11) and CD1(137) at 38.037 -8.48502 39.5659 in (null):I-9999 (17) self-bump: 1.33618 Ang CA(133) at 38.557 -5.083 40.965 in (null):I-9999 (17) and CB(134) at 38.2538 -5.98491 40.0269 in (null):I-9999 (17) other bump:2.14534 Ang O(96) at 43.644 -9.94 47.227 in (null):F-9999 (12) and OE2(118) at 41.8868 -9.70945 48.4359 in (null):E-9999 (15) other bump:2.48721 Ang O(77) at 43.447 -9.783 42.464 in (null):V-9999 (10) and CD(109) at 44.2672 -7.5556 43.2071 in (null):P-9999 (14) self-bump: 2.25011 Ang CA(106) at 42.624 -6.654 44.452 in (null):P-9999 (14) and CD(109) at 44.2672 -7.5556 43.2071 in (null):P-9999 (14) neighbor-bump: 2.77225 Ang CB(100) at 46.2748 -9.19652 44.188 in (null):P-9999 (13) and CD(109) at 44.2672 -7.5556 43.2071 in (null):P-9999 (14) self-bump: 2.1343 Ang CA(106) at 42.624 -6.654 44.452 in (null):P-9999 (14) and CG(108) at 43.8081 -6.19494 42.7367 in (null):P-9999 (14) other bump:2.74032 Ang C(71) at 45.212 -13.253 42.355 in (null):A-9999 (9) and CD(102) at 45.0318 -11.2242 44.1883 in (null):P-9999 (13) other bump:3.20961 Ang CA(73) at 44.591 -11.335 41.011 in (null):V-9999 (10) and CD(102) at 45.0318 -11.2242 44.1883 in (null):P-9999 (13) other bump:2.87546 Ang C(78) at 43.398 -10.849 41.852 in (null):V-9999 (10) and CD(102) at 45.0318 -11.2242 44.1883 in (null):P-9999 (13) other bump:1.58442 Ang O(70) at 45.307 -12.554 43.372 in (null):A-9999 (9) and CD(102) at 45.0318 -11.2242 44.1883 in (null):P-9999 (13) other bump:3.25445 Ang C(71) at 45.212 -13.253 42.355 in (null):A-9999 (9) and CG(101) at 46.4145 -10.6623 43.915 in (null):P-9999 (13) other bump:2.25834 Ang O(70) at 45.307 -12.554 43.372 in (null):A-9999 (9) and CG(101) at 46.4145 -10.6623 43.915 in (null):P-9999 (13) other bump:3.02508 Ang CD(15) at 47.2877 -13.6761 33.5682 in (null):E-9999 (2) and CG2(47) at 45.688 -15.64 35.222 in (null):I-9999 (6) other bump:2.56882 Ang OE1(16) at 47.6891 -14.1263 34.6715 in (null):E-9999 (2) and CG2(47) at 45.688 -15.64 35.222 in (null):I-9999 (6) other bump:3.12354 Ang CD(15) at 47.2877 -13.6761 33.5682 in (null):E-9999 (2) and CG1(46) at 47.138 -14.156 36.651 in (null):I-9999 (6) other bump:2.05503 Ang OE1(16) at 47.6891 -14.1263 34.6715 in (null):E-9999 (2) and CG1(46) at 47.138 -14.156 36.651 in (null):I-9999 (6) other bump:2.48584 Ang OE1(16) at 47.6891 -14.1263 34.6715 in (null):E-9999 (2) and CB(45) at 46.649 -15.58 36.399 in (null):I-9999 (6) self-bump: 2.18896 Ang CB(28) at 44.4979 -21.5319 34.8495 in (null):L-9999 (4) and C(33) at 45.615 -20.623 36.498 in (null):L-9999 (4) self-bump: 1.26262 Ang CA(27) at 45.701 -21.251 35.11 in (null):L-9999 (4) and CB(28) at 44.4979 -21.5319 34.8495 in (null):L-9999 (4) T0147_twice 485 :AEFAD 1hzyA 360 :PTLRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 17 total=258 Number of alignments=18 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1eywA/T0147_twice-1eywA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1eywA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1eywA/T0147_twice-1eywA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # adding 1eywA to template set 1eywA:Skipped atom 588, because occupancy 0.5 <= existing 0.500001 Bad short name: CX for alphabet: pdb_atoms Bad short name: OX1 for alphabet: pdb_atoms Bad short name: OX2 for alphabet: pdb_atoms Skipped atom 2004, because occupancy 0.5 <= existing 0.500001 Skipped atom 2006, because occupancy 0.5 <= existing 0.500001 # found chain 1eywA in template set T0147_twice 3 :PVD 1eywA 36 :RIN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 6 :LHMHTVAST 1eywA 54 :THEHICGSS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.25897 Ang CA(53) at 42.463 40.031 23.708 in (null):A-9999 (7) and CB(54) at 43.4135 39.2327 23.9184 in (null):A-9999 (7) T0147_twice 15 :H 1eywA 64 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 17 :YSTLSDYIAQAKQ 1eywA 73 :FGSRKALAEKAVR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.62162 Ang OG(17) at 33.4023 48.6548 16.05 in (null):S-9999 (2) and CB(43) at 31.3967 46.9955 15.7378 in (null):D-9999 (6) neighbor-bump: 2.52629 Ang O(18) at 33.05 51.827 18.114 in (null):S-9999 (2) and CG2(23) at 30.5503 51.4667 18.0526 in (null):T-9999 (3) neighbor-bump: 2.95685 Ang C(19) at 33.392 50.684 17.818 in (null):S-9999 (2) and CG2(23) at 30.5503 51.4667 18.0526 in (null):T-9999 (3) self-bump: 1.29109 Ang CA(15) at 34.482 50.421 16.808 in (null):S-9999 (2) and CB(16) at 33.9432 49.9273 15.7437 in (null):S-9999 (2) T0147_twice 45 :EDAPHHW 1eywA 86 :GLRRARA Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.27713 Ang CA(25) at 31.478 30.366 10.19 in (null):P-9999 (4) and NE1(59) at 32.1985 29.2253 8.35561 in (null):W-9999 (7) other bump:2.42628 Ang CB(26) at 32.512 31.297 9.579 in (null):P-9999 (4) and NE1(59) at 32.1985 29.2253 8.35561 in (null):W-9999 (7) other bump:2.02337 Ang O(29) at 32.343 28.154 10.066 in (null):P-9999 (4) and NE1(59) at 32.1985 29.2253 8.35561 in (null):W-9999 (7) other bump:2.38139 Ang C(30) at 32.206 29.157 10.736 in (null):P-9999 (4) and NE1(59) at 32.1985 29.2253 8.35561 in (null):W-9999 (7) other bump:2.58019 Ang O(29) at 32.343 28.154 10.066 in (null):P-9999 (4) and CE2(57) at 32.6458 28.2404 7.5051 in (null):W-9999 (7) other bump:2.09867 Ang CA(25) at 31.478 30.366 10.19 in (null):P-9999 (4) and CD1(55) at 30.9705 28.8308 8.85205 in (null):W-9999 (7) other bump:2.99779 Ang CB(26) at 32.512 31.297 9.579 in (null):P-9999 (4) and CD1(55) at 30.9705 28.8308 8.85205 in (null):W-9999 (7) other bump:1.95337 Ang O(29) at 32.343 28.154 10.066 in (null):P-9999 (4) and CD1(55) at 30.9705 28.8308 8.85205 in (null):W-9999 (7) other bump:2.27645 Ang C(30) at 32.206 29.157 10.736 in (null):P-9999 (4) and CD1(55) at 30.9705 28.8308 8.85205 in (null):W-9999 (7) other bump:2.49787 Ang O(29) at 32.343 28.154 10.066 in (null):P-9999 (4) and CG(54) at 30.6056 27.6149 8.35422 in (null):W-9999 (7) other bump:3.25766 Ang C(30) at 32.206 29.157 10.736 in (null):P-9999 (4) and CG(54) at 30.6056 27.6149 8.35422 in (null):W-9999 (7) T0147_twice 60 :PRVVDGVGI 1eywA 93 :AGVRTIVDV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.8436 Ang C(8) at 32.87 22.87 10.436 in (null):P-9999 (1) and CG(12) at 32.4214 20.0621 10.4128 in (null):R-9999 (2) neighbor-bump: 2.30014 Ang O(7) at 33.678 21.981 10.241 in (null):P-9999 (1) and CG(12) at 32.4214 20.0621 10.4128 in (null):R-9999 (2) T0147_twice 106 :APHDKATNTQAMIATIASGNVHIISHPGNPK 1eywA 102 :STFDIGRDVSLLAEVSRAADVHIVAATGLWF Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.41786 Ang CG(27) at 46.089 38.942 33.52 in (null):D-9999 (4) and CD(213) at 46.049 36.5289 33.6664 in (null):P-9999 (30) other bump:1.54317 Ang OD2(29) at 45.324 37.891 33.646 in (null):D-9999 (4) and CD(213) at 46.049 36.5289 33.6664 in (null):P-9999 (30) other bump:2.67295 Ang OD1(28) at 47.254 38.87 33.206 in (null):D-9999 (4) and CD(213) at 46.049 36.5289 33.6664 in (null):P-9999 (30) self-bump: 1.37939 Ang N(209) at 47.201 35.779 33.551 in (null):P-9999 (30) and CD(213) at 46.049 36.5289 33.6664 in (null):P-9999 (30) other bump:2.69465 Ang CG(10) at 44.0036 35.2588 31.4141 in (null):P-9999 (2) and CG(212) at 45.8682 37.0261 32.2271 in (null):P-9999 (30) other bump:2.32185 Ang CG(27) at 46.089 38.942 33.52 in (null):D-9999 (4) and CG(212) at 45.8682 37.0261 32.2271 in (null):P-9999 (30) other bump:1.74853 Ang OD2(29) at 45.324 37.891 33.646 in (null):D-9999 (4) and CG(212) at 45.8682 37.0261 32.2271 in (null):P-9999 (30) other bump:2.50574 Ang OD1(28) at 47.254 38.87 33.206 in (null):D-9999 (4) and CG(212) at 45.8682 37.0261 32.2271 in (null):P-9999 (30) other bump:2.82543 Ang CG(27) at 46.089 38.942 33.52 in (null):D-9999 (4) and CB(211) at 47.281 37.1498 31.6897 in (null):P-9999 (30) other bump:2.29327 Ang OD1(28) at 47.254 38.87 33.206 in (null):D-9999 (4) and CB(211) at 47.281 37.1498 31.6897 in (null):P-9999 (30) neighbor-bump: 2.42708 Ang CA(181) at 38.509 30.527 32.337 in (null):H-9999 (26) and CD(194) at 38.7571 29.7254 34.6144 in (null):P-9999 (27) neighbor-bump: 2.05133 Ang C(189) at 38.736 31.452 33.507 in (null):H-9999 (26) and CD(194) at 38.7571 29.7254 34.6144 in (null):P-9999 (27) other bump:2.32231 Ang CG1(113) at 29.4535 31.5947 24.2632 in (null):I-9999 (16) and CD1(163) at 31.539 32.028 23.338 in (null):I-9999 (23) other bump:3.01144 Ang CE(87) at 33.8681 33.6927 24.6049 in (null):M-9999 (12) and CG2(162) at 33.278 30.847 25.394 in (null):I-9999 (23) other bump:2.59775 Ang CG1(113) at 29.4535 31.5947 24.2632 in (null):I-9999 (16) and CG1(161) at 31.69 30.518 23.497 in (null):I-9999 (23) other bump:2.99064 Ang CD1(115) at 29.8368 31.3036 25.7088 in (null):I-9999 (16) and CG1(161) at 31.69 30.518 23.497 in (null):I-9999 (23) other bump:2.98328 Ang CG1(113) at 29.4535 31.5947 24.2632 in (null):I-9999 (16) and CB(160) at 31.977 30.157 24.945 in (null):I-9999 (23) other bump:2.54536 Ang CD1(115) at 29.8368 31.3036 25.7088 in (null):I-9999 (16) and CB(160) at 31.977 30.157 24.945 in (null):I-9999 (23) other bump:2.59925 Ang CG2(114) at 27.4627 30.0155 24.0848 in (null):I-9999 (16) and O(146) at 28.57 28.731 22.115 in (null):V-9999 (21) other bump:2.45532 Ang C(6) at 40.795 34.926 30.03 in (null):A-9999 (1) and OG1(50) at 39.1602 36.7507 30.1926 in (null):T-9999 (7) other bump:2.57587 Ang CB(4) at 40.057 35.894 27.935 in (null):A-9999 (1) and OG1(50) at 39.1602 36.7507 30.1926 in (null):T-9999 (7) neighbor-bump: 2.3064 Ang O(39) at 41.484 40.473 28.011 in (null):K-9999 (5) and CB(43) at 40.755 42.5433 28.7195 in (null):A-9999 (6) neighbor-bump: 2.52218 Ang C(40) at 41.9 40.337 29.147 in (null):K-9999 (5) and CB(43) at 40.755 42.5433 28.7195 in (null):A-9999 (6) other bump:1.55956 Ang O(0) at 42.716 32.824 28.842 in (null):G-9999 (0) and NZ(38) at 42.2889 34.2635 28.4206 in (null):K-9999 (5) other bump:1.77319 Ang C(1) at 41.66 32.612 28.275 in (null):G-9999 (0) and NZ(38) at 42.2889 34.2635 28.4206 in (null):K-9999 (5) other bump:1.68732 Ang N(2) at 40.791 33.576 28.059 in (null):A-9999 (1) and NZ(38) at 42.2889 34.2635 28.4206 in (null):K-9999 (5) other bump:1.41599 Ang CA(3) at 41.036 34.913 28.537 in (null):A-9999 (1) and NZ(38) at 42.2889 34.2635 28.4206 in (null):K-9999 (5) other bump:2.29361 Ang C(6) at 40.795 34.926 30.03 in (null):A-9999 (1) and NZ(38) at 42.2889 34.2635 28.4206 in (null):K-9999 (5) other bump:2.26768 Ang CD(11) at 43.1187 35.3897 30.2054 in (null):P-9999 (2) and NZ(38) at 42.2889 34.2635 28.4206 in (null):K-9999 (5) other bump:2.14343 Ang CA(3) at 41.036 34.913 28.537 in (null):A-9999 (1) and CE(37) at 42.9964 35.5236 27.922 in (null):K-9999 (5) other bump:3.10597 Ang C(6) at 40.795 34.926 30.03 in (null):A-9999 (1) and CE(37) at 42.9964 35.5236 27.922 in (null):K-9999 (5) other bump:2.29059 Ang CD(11) at 43.1187 35.3897 30.2054 in (null):P-9999 (2) and CE(37) at 42.9964 35.5236 27.922 in (null):K-9999 (5) other bump:3.15935 Ang CA(3) at 41.036 34.913 28.537 in (null):A-9999 (1) and CD(36) at 44.002 35.888 29.0202 in (null):K-9999 (5) other bump:2.87664 Ang N(7) at 41.773 35.404 30.773 in (null):P-9999 (2) and CD(36) at 44.002 35.888 29.0202 in (null):K-9999 (5) other bump:2.47517 Ang CG(10) at 44.0036 35.2588 31.4141 in (null):P-9999 (2) and CD(36) at 44.002 35.888 29.0202 in (null):K-9999 (5) other bump:1.55987 Ang CD(11) at 43.1187 35.3897 30.2054 in (null):P-9999 (2) and CD(36) at 44.002 35.888 29.0202 in (null):K-9999 (5) other bump:2.51992 Ang CD(11) at 43.1187 35.3897 30.2054 in (null):P-9999 (2) and CG(35) at 44.2333 37.3837 29.1416 in (null):K-9999 (5) other bump:3.11518 Ang CD(11) at 43.1187 35.3897 30.2054 in (null):P-9999 (2) and CB(34) at 42.9105 38.1823 28.8407 in (null):K-9999 (5) T0147_twice 137 :YEIDVKAVAEAAAK 1eywA 143 :VEELTQFFLREIQY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0147_twice 151 :HQVA 1eywA 164 :RAGI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.6406 Ang CG(15) at 37.5812 28.7301 35.1609 in (null):Q-9999 (2) and O(31) at 39.857 28.019 34.026 in (null):A-9999 (4) other bump:2.29757 Ang CD(16) at 38.8328 29.5586 35.3896 in (null):Q-9999 (2) and O(31) at 39.857 28.019 34.026 in (null):A-9999 (4) T0147_twice 158 :NNSS 1eywA 171 :ATTG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 1.94334 Ang O(22) at 59.535 34.932 29.536 in (null):S-9999 (3) and OG(27) at 61.3427 34.7218 28.8543 in (null):S-9999 (4) neighbor-bump: 2.66864 Ang C(23) at 58.861 33.933 29.438 in (null):S-9999 (3) and OG(27) at 61.3427 34.7218 28.8543 in (null):S-9999 (4) neighbor-bump: 2.04389 Ang O(22) at 59.535 34.932 29.536 in (null):S-9999 (3) and CB(26) at 61.2901 34.0509 30.1025 in (null):S-9999 (4) neighbor-bump: 2.52108 Ang C(23) at 58.861 33.933 29.438 in (null):S-9999 (3) and CB(26) at 61.2901 34.0509 30.1025 in (null):S-9999 (4) T0147_twice 164 :HSRKGSEDNCREVAAAVRDAGGWVAL 1eywA 175 :KATPFQELVLKAAARASLATGVPVTT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.13719 Ang CE3(167) at 43.0923 23.4759 30.5446 in (null):W-9999 (23) and CB(183) at 45.209 25.483 29.39 in (null):A-9999 (25) other bump:2.20159 Ang CZ3(170) at 43.2271 24.5698 29.6814 in (null):W-9999 (23) and CB(183) at 45.209 25.483 29.39 in (null):A-9999 (25) other bump:3.1389 Ang CH2(171) at 42.0957 25.1992 29.1086 in (null):W-9999 (23) and CB(183) at 45.209 25.483 29.39 in (null):A-9999 (25) neighbor-bump: 3.18421 Ang CE3(167) at 43.0923 23.4759 30.5446 in (null):W-9999 (23) and C(180) at 45.695 23.862 32.338 in (null):V-9999 (24) other bump:2.50039 Ang CG2(125) at 44.0792 23.1931 38.1105 in (null):V-9999 (17) and CG2(178) at 45.631 23.602 36.193 in (null):V-9999 (24) T0147_twice 194 :HTAFTMGEFEECLKILDAVDFPPERI 1eywA 201 :HTAASQRDGEQQAAIFESEGLSPSRV Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.95302 Ang CD2(103) at 54.1825 19.3689 32.873 in (null):L-9999 (13) and CD1(209) at 51.37 19.8831 33.6117 in (null):I-9999 (26) other bump:1.93672 Ang CE2(166) at 48.0865 19.4188 35.9129 in (null):F-9999 (21) and CG2(208) at 48.5442 20.709 34.5429 in (null):I-9999 (26) other bump:2.58201 Ang CZ(167) at 46.7362 19.5825 36.002 in (null):F-9999 (21) and CG2(208) at 48.5442 20.709 34.5429 in (null):I-9999 (26) other bump:2.91519 Ang CD2(164) at 48.8452 19.2896 37.0714 in (null):F-9999 (21) and CG2(208) at 48.5442 20.709 34.5429 in (null):I-9999 (26) other bump:2.77835 Ang CZ(167) at 46.7362 19.5825 36.002 in (null):F-9999 (21) and C(203) at 45.903 18.988 33.419 in (null):R-9999 (25) other bump:2.79959 Ang CZ(167) at 46.7362 19.5825 36.002 in (null):F-9999 (21) and O(202) at 45.352 20.066 33.617 in (null):R-9999 (25) other bump:2.37332 Ang CZ(167) at 46.7362 19.5825 36.002 in (null):F-9999 (21) and CB(195) at 45.091 17.96 35.46 in (null):R-9999 (25) other bump:2.62103 Ang CE1(165) at 46.1355 19.5839 37.2325 in (null):F-9999 (21) and CB(195) at 45.091 17.96 35.46 in (null):R-9999 (25) other bump:3.11546 Ang CZ(167) at 46.7362 19.5825 36.002 in (null):F-9999 (21) and CA(194) at 45.304 17.709 33.966 in (null):R-9999 (25) neighbor-bump: 2.86024 Ang CE2(166) at 48.0865 19.4188 35.9129 in (null):F-9999 (21) and O(175) at 48.244 16.563 35.888 in (null):P-9999 (22) other bump:2.05648 Ang CE1(30) at 54.46 24.9251 24.0728 in (null):F-9999 (4) and CZ(71) at 53.7865 24.0818 25.8233 in (null):F-9999 (9) other bump:2.74148 Ang CZ(32) at 53.4341 25.786 23.7049 in (null):F-9999 (4) and CZ(71) at 53.7865 24.0818 25.8233 in (null):F-9999 (9) other bump:2.38632 Ang CE1(30) at 54.46 24.9251 24.0728 in (null):F-9999 (4) and CE2(70) at 54.6115 23.0445 25.5339 in (null):F-9999 (9) other bump:2.9759 Ang CE1(30) at 54.46 24.9251 24.0728 in (null):F-9999 (4) and CE1(69) at 53.9264 24.7617 26.9959 in (null):F-9999 (9) other bump:2.47566 Ang CG2(15) at 54.586 26.923 28.007 in (null):T-9999 (2) and CE1(69) at 53.9264 24.7617 26.9959 in (null):F-9999 (9) other bump:2.56831 Ang CG2(15) at 54.586 26.923 28.007 in (null):T-9999 (2) and CD1(67) at 54.9408 24.3811 27.9125 in (null):F-9999 (9) other bump:2.18001 Ang CB(21) at 58.834 31.704 26.143 in (null):A-9999 (3) and OE2(60) at 58.413 31.6348 28.2808 in (null):E-9999 (8) other bump:2.61298 Ang CA(13) at 54.741 29.389 27.249 in (null):T-9999 (2) and OE1(59) at 56.591 30.4439 28.763 in (null):E-9999 (8) other bump:2.3779 Ang N(19) at 56.82 30.309 26.4 in (null):A-9999 (3) and OE1(59) at 56.591 30.4439 28.763 in (null):E-9999 (8) other bump:2.52327 Ang N(19) at 56.82 30.309 26.4 in (null):A-9999 (3) and CD(58) at 57.8342 30.6044 28.6915 in (null):E-9999 (8) other bump:3.24285 Ang CA(20) at 57.784 30.858 25.459 in (null):A-9999 (3) and CD(58) at 57.8342 30.6044 28.6915 in (null):E-9999 (8) other bump:2.95022 Ang CB(21) at 58.834 31.704 26.143 in (null):A-9999 (3) and CD(58) at 57.8342 30.6044 28.6915 in (null):E-9999 (8) other bump:3.0129 Ang OG1(16) at 54.984 27.453 25.698 in (null):T-9999 (2) and CE2(31) at 53.7224 26.9494 23.0087 in (null):F-9999 (4) T0147_twice 349 :VFAPHDKATNTQAMIATIASGNVHIISHPGNPKYEIDVKAVAEAA 1eywA 227 :CIGHSDDTDDLSYLTALAARGYLIGLDHIPHSAIGLEDNASASAL Fragment has 104 clashes (null) has 104 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.36358 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and N(327) at 55.296 39.279 16.606 in (null):A-9999 (45) other bump:1.94988 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and N(322) at 57.282 40.168 14.891 in (null):A-9999 (44) other bump:2.59762 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and C(321) at 57.121 39.216 13.968 in (null):E-9999 (43) other bump:2.64422 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and C(321) at 57.121 39.216 13.968 in (null):E-9999 (43) other bump:2.03238 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and C(321) at 57.121 39.216 13.968 in (null):E-9999 (43) other bump:1.72159 Ang CA(273) at 58.556 40.481 6.947 in (null):D-9999 (37) and OE2(319) at 58.9102 41.13 8.50174 in (null):E-9999 (43) other bump:1.61477 Ang O(278) at 59.566 42.476 7.897 in (null):D-9999 (37) and OE2(319) at 58.9102 41.13 8.50174 in (null):E-9999 (43) other bump:1.68446 Ang C(279) at 58.813 41.989 7.056 in (null):D-9999 (37) and OE2(319) at 58.9102 41.13 8.50174 in (null):E-9999 (43) other bump:2.8214 Ang CA(273) at 58.556 40.481 6.947 in (null):D-9999 (37) and CD(317) at 59.0954 40.8093 9.69683 in (null):E-9999 (43) other bump:2.49776 Ang O(278) at 59.566 42.476 7.897 in (null):D-9999 (37) and CD(317) at 59.0954 40.8093 9.69683 in (null):E-9999 (43) other bump:2.9061 Ang C(279) at 58.813 41.989 7.056 in (null):D-9999 (37) and CD(317) at 59.0954 40.8093 9.69683 in (null):E-9999 (43) other bump:3.10081 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and CB(315) at 58.0452 40.1143 11.8995 in (null):E-9999 (43) other bump:3.15533 Ang CG(237) at 54.2894 38.0746 11.4151 in (null):K-9999 (33) and CA(314) at 56.764 39.667 12.554 in (null):E-9999 (43) other bump:1.7514 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and CA(314) at 56.764 39.667 12.554 in (null):E-9999 (43) other bump:2.49532 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and CA(314) at 56.764 39.667 12.554 in (null):E-9999 (43) other bump:2.37504 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and CA(314) at 56.764 39.667 12.554 in (null):E-9999 (43) other bump:3.17307 Ang CG(237) at 54.2894 38.0746 11.4151 in (null):K-9999 (33) and N(313) at 55.721 40.662 12.566 in (null):E-9999 (43) other bump:1.79857 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and N(313) at 55.721 40.662 12.566 in (null):E-9999 (43) other bump:2.06004 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and N(313) at 55.721 40.662 12.566 in (null):E-9999 (43) other bump:1.94661 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and N(313) at 55.721 40.662 12.566 in (null):E-9999 (43) other bump:2.84976 Ang CG(237) at 54.2894 38.0746 11.4151 in (null):K-9999 (33) and C(312) at 54.53 40.39 13.059 in (null):A-9999 (42) other bump:1.75473 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and C(312) at 54.53 40.39 13.059 in (null):A-9999 (42) other bump:1.17489 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and C(312) at 54.53 40.39 13.059 in (null):A-9999 (42) other bump:1.62527 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and C(312) at 54.53 40.39 13.059 in (null):A-9999 (42) other bump:2.43821 Ang CG(237) at 54.2894 38.0746 11.4151 in (null):K-9999 (33) and O(311) at 54.234 39.304 13.52 in (null):A-9999 (42) other bump:1.61609 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and O(311) at 54.234 39.304 13.52 in (null):A-9999 (42) other bump:0.281393 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and O(311) at 54.234 39.304 13.52 in (null):A-9999 (42) other bump:1.7067 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and O(311) at 54.234 39.304 13.52 in (null):A-9999 (42) other bump:3.12536 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and CA(309) at 53.551 41.531 13.006 in (null):A-9999 (42) other bump:2.46405 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and CA(309) at 53.551 41.531 13.006 in (null):A-9999 (42) other bump:2.68611 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and CA(309) at 53.551 41.531 13.006 in (null):A-9999 (42) neighbor-bump: 2.15667 Ang O(253) at 53.458 36.057 4.889 in (null):Y-9999 (34) and CB(257) at 53.3817 37.1779 3.0481 in (null):E-9999 (35) neighbor-bump: 2.58361 Ang C(254) at 54.695 36.069 4.977 in (null):Y-9999 (34) and CB(257) at 53.3817 37.1779 3.0481 in (null):E-9999 (35) other bump:2.1441 Ang O(217) at 48.662 32.069 10.977 in (null):G-9999 (30) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) other bump:2.37986 Ang C(218) at 48.72 31.13 11.773 in (null):G-9999 (30) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) neighbor-bump: 2.41081 Ang N(219) at 49.485 31.136 12.887 in (null):N-9999 (31) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) neighbor-bump: 2.22143 Ang CA(220) at 50.344 32.277 13.253 in (null):N-9999 (31) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) neighbor-bump: 2.28427 Ang O(225) at 52.535 31.584 12.503 in (null):N-9999 (31) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) neighbor-bump: 1.50905 Ang C(226) at 51.574 32.356 12.353 in (null):N-9999 (31) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) neighbor-bump: 2.23923 Ang O(225) at 52.535 31.584 12.503 in (null):N-9999 (31) and CG(230) at 51.8402 31.2109 10.4072 in (null):P-9999 (32) neighbor-bump: 2.27333 Ang C(226) at 51.574 32.356 12.353 in (null):N-9999 (31) and CG(230) at 51.8402 31.2109 10.4072 in (null):P-9999 (32) other bump:2.40991 Ang CA(199) at 49.476 28.718 16.923 in (null):H-9999 (28) and OD1(224) at 49.8218 31.0814 16.6028 in (null):N-9999 (31) other bump:2.54345 Ang CD2(202) at 49.52 30.649 19.091 in (null):H-9999 (28) and OD1(224) at 49.8218 31.0814 16.6028 in (null):N-9999 (31) other bump:2.31282 Ang CB(200) at 50.851 29.183 17.431 in (null):H-9999 (28) and OD1(224) at 49.8218 31.0814 16.6028 in (null):N-9999 (31) other bump:2.30845 Ang CG(201) at 50.669 30.157 18.541 in (null):H-9999 (28) and OD1(224) at 49.8218 31.0814 16.6028 in (null):N-9999 (31) other bump:2.73097 Ang C(197) at 47.959 27.454 18.341 in (null):S-9999 (27) and CD(212) at 47.8907 26.6577 15.7296 in (null):P-9999 (29) neighbor-bump: 2.42224 Ang N(198) at 49.104 27.51 17.645 in (null):H-9999 (28) and CD(212) at 47.8907 26.6577 15.7296 in (null):P-9999 (29) other bump:2.19863 Ang CE(55) at 53.0895 30.7772 20.9883 in (null):K-9999 (7) and CE1(204) at 51.237 31.578 20.116 in (null):H-9999 (28) other bump:2.77471 Ang NZ(56) at 52.872 31.3434 22.3455 in (null):K-9999 (7) and CE1(204) at 51.237 31.578 20.116 in (null):H-9999 (28) other bump:2.23974 Ang CE(55) at 53.0895 30.7772 20.9883 in (null):K-9999 (7) and ND1(203) at 51.744 30.748 19.198 in (null):H-9999 (28) other bump:3.39614 Ang NZ(56) at 52.872 31.3434 22.3455 in (null):K-9999 (7) and ND1(203) at 51.744 30.748 19.198 in (null):H-9999 (28) other bump:1.89687 Ang CG2(180) at 47.1665 24.2278 22.9489 in (null):I-9999 (25) and OG(195) at 46.9226 25.3503 21.4393 in (null):S-9999 (27) other bump:3.03091 Ang CD2(170) at 52.4489 19.7803 21.1233 in (null):H-9999 (24) and CG1(187) at 50.9596 20.9837 18.7737 in (null):I-9999 (26) other bump:3.12616 Ang NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) and CG1(187) at 50.9596 20.9837 18.7737 in (null):I-9999 (26) other bump:3.03565 Ang CB(4) at 46.8203 21.9768 28.0035 in (null):V-9999 (1) and CD1(181) at 46.8181 21.9043 24.9688 in (null):I-9999 (25) other bump:1.6626 Ang CG1(5) at 47.1309 22.3274 26.5459 in (null):V-9999 (1) and CD1(181) at 46.8181 21.9043 24.9688 in (null):I-9999 (25) other bump:1.77752 Ang CG1(5) at 47.1309 22.3274 26.5459 in (null):V-9999 (1) and CG1(179) at 47.8081 23.0476 25.0686 in (null):I-9999 (25) other bump:0.442978 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:2.49999 Ang CB(34) at 53.1697 22.9292 22.1631 in (null):H-9999 (5) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:1.47161 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:2.61845 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:1.77866 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:2.20998 Ang CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:1.17871 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:1.79052 Ang CB(34) at 53.1697 22.9292 22.1631 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:0.400955 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:1.36502 Ang ND1(37) at 55.0375 21.2704 22.5838 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:2.0314 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:1.95754 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:2.85394 Ang CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:3.05287 Ang CA(33) at 54.022 24.318 21.777 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:2.06673 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:2.48911 Ang CB(34) at 53.1697 22.9292 22.1631 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:1.63697 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:1.873 Ang ND1(37) at 55.0375 21.2704 22.5838 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:2.37207 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:2.46392 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:1.58387 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and CD2(170) at 52.4489 19.7803 21.1233 in (null):H-9999 (24) other bump:2.49919 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and CD2(170) at 52.4489 19.7803 21.1233 in (null):H-9999 (24) other bump:2.27161 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and CD2(170) at 52.4489 19.7803 21.1233 in (null):H-9999 (24) other bump:2.72683 Ang CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) and CD2(170) at 52.4489 19.7803 21.1233 in (null):H-9999 (24) other bump:2.25714 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and CG(169) at 52.4672 19.6261 22.4668 in (null):H-9999 (24) other bump:2.56599 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and CG(169) at 52.4672 19.6261 22.4668 in (null):H-9999 (24) other bump:2.64736 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and CG(169) at 52.4672 19.6261 22.4668 in (null):H-9999 (24) other bump:2.38291 Ang CE2(16) at 53.0433 20.1125 30.9879 in (null):F-9999 (2) and OD1(156) at 52.5683 17.9936 31.9692 in (null):N-9999 (22) other bump:2.88901 Ang CG2(124) at 55.2474 18.2519 28.6088 in (null):T-9999 (17) and ND2(155) at 54.409 17.045 31.0961 in (null):N-9999 (22) other bump:2.62379 Ang CE2(16) at 53.0433 20.1125 30.9879 in (null):F-9999 (2) and CG(154) at 53.1632 17.4915 31.0114 in (null):N-9999 (22) other bump:3.12246 Ang CE2(16) at 53.0433 20.1125 30.9879 in (null):F-9999 (2) and CB(153) at 52.486 17.3375 29.6693 in (null):N-9999 (22) other bump:1.91005 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) other bump:3.01497 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) other bump:2.31305 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) other bump:1.18514 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) other bump:3.18926 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and SD(104) at 56.5756 20.1009 19.6392 in (null):M-9999 (14) other bump:2.67377 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and SD(104) at 56.5756 20.1009 19.6392 in (null):M-9999 (14) other bump:2.37489 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and SD(104) at 56.5756 20.1009 19.6392 in (null):M-9999 (14) other bump:2.00501 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and CG(103) at 57.3079 19.85 21.267 in (null):M-9999 (14) other bump:2.59548 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and CG(103) at 57.3079 19.85 21.267 in (null):M-9999 (14) other bump:2.47583 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and CB(102) at 57.223 18.3922 21.7263 in (null):M-9999 (14) other bump:2.67799 Ang CB(27) at 51.7993 28.8912 22.2575 in (null):P-9999 (4) and NZ(56) at 52.872 31.3434 22.3455 in (null):K-9999 (7) other bump:2.61388 Ang CB(27) at 51.7993 28.8912 22.2575 in (null):P-9999 (4) and CE(55) at 53.0895 30.7772 20.9883 in (null):K-9999 (7) neighbor-bump: 2.42736 Ang CB(22) at 49.5727 26.9783 25.7086 in (null):A-9999 (3) and CD(29) at 51.3509 27.9005 24.3377 in (null):P-9999 (4) neighbor-bump: 2.04161 Ang O(23) at 52.635 26.414 24.894 in (null):A-9999 (3) and CD(29) at 51.3509 27.9005 24.3377 in (null):P-9999 (4) neighbor-bump: 1.58369 Ang C(24) at 51.505 26.326 24.41 in (null):A-9999 (3) and CD(29) at 51.3509 27.9005 24.3377 in (null):P-9999 (4) self-bump: 2.22697 Ang CA(26) at 52.013 27.492 22.251 in (null):P-9999 (4) and CD(29) at 51.3509 27.9005 24.3377 in (null):P-9999 (4) T0147_twice 410 :SRKGSEDNCREVAAAVRDAGG 1eywA 272 :LGIRSWQTRALLIKALIDQGY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 2.14937 Ang O(6) at 54.474 33.666 13.863 in (null):S-9999 (1) and CB(10) at 56.5172 32.9992 13.8867 in (null):R-9999 (2) neighbor-bump: 2.59055 Ang C(7) at 54.722 34.852 14.122 in (null):S-9999 (1) and CB(10) at 56.5172 32.9992 13.8867 in (null):R-9999 (2) T0147_twice 431 :WVALGSDS 1eywA 295 :QILVSNDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0147_twice 443 :TMGEFEECLKILDAVDFPPERILNVSPRRLLNFLESRGMAPI 1eywA 303 :LFGFSSYVTNIMDVMDRVNPDGMAFIPLRVIPFLREKGVPQE Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.51683 Ang NE(165) at 41.2647 28.4057 6.1067 in (null):R-9999 (21) and CD(230) at 43.3 27.555 4.895 in (null):R-9999 (29) other bump:2.23321 Ang CZ(166) at 41.8292 27.2976 6.55564 in (null):R-9999 (21) and CD(230) at 43.3 27.555 4.895 in (null):R-9999 (29) other bump:1.92944 Ang NH2(168) at 43.131 27.3806 6.8091 in (null):R-9999 (21) and CD(230) at 43.3 27.555 4.895 in (null):R-9999 (29) other bump:2.60584 Ang NE(165) at 41.2647 28.4057 6.1067 in (null):R-9999 (21) and CG(229) at 42.606 26.289 5.392 in (null):R-9999 (29) other bump:1.72477 Ang CZ(166) at 41.8292 27.2976 6.55564 in (null):R-9999 (21) and CG(229) at 42.606 26.289 5.392 in (null):R-9999 (29) other bump:1.86425 Ang NH2(168) at 43.131 27.3806 6.8091 in (null):R-9999 (21) and CG(229) at 42.606 26.289 5.392 in (null):R-9999 (29) other bump:2.38012 Ang NH1(167) at 41.2521 26.1143 6.78349 in (null):R-9999 (21) and CB(228) at 43.44 25.333 6.266 in (null):R-9999 (29) other bump:2.55703 Ang CZ(166) at 41.8292 27.2976 6.55564 in (null):R-9999 (21) and CB(228) at 43.44 25.333 6.266 in (null):R-9999 (29) other bump:2.14086 Ang NH2(168) at 43.131 27.3806 6.8091 in (null):R-9999 (21) and CB(228) at 43.44 25.333 6.266 in (null):R-9999 (29) other bump:2.67457 Ang NH1(167) at 41.2521 26.1143 6.78349 in (null):R-9999 (21) and CA(227) at 42.758 23.955 6.311 in (null):R-9999 (29) other bump:2.035 Ang NH1(167) at 41.2521 26.1143 6.78349 in (null):R-9999 (21) and N(226) at 41.445 24.092 6.904 in (null):R-9999 (29) other bump:2.57397 Ang NH1(167) at 41.2521 26.1143 6.78349 in (null):R-9999 (21) and C(225) at 40.381 23.765 6.194 in (null):R-9999 (28) other bump:1.94463 Ang CG(163) at 39.6798 30.2711 6.07812 in (null):R-9999 (21) and NH1(222) at 37.7798 29.9837 6.37592 in (null):R-9999 (28) other bump:2.55987 Ang CD(164) at 39.9587 28.8198 5.70447 in (null):R-9999 (21) and NH1(222) at 37.7798 29.9837 6.37592 in (null):R-9999 (28) other bump:2.37124 Ang CB(162) at 39.7526 30.4867 7.59157 in (null):R-9999 (21) and NH1(222) at 37.7798 29.9837 6.37592 in (null):R-9999 (28) other bump:2.64912 Ang CG(163) at 39.6798 30.2711 6.07812 in (null):R-9999 (21) and CZ(221) at 37.3822 29.112 5.44972 in (null):R-9999 (28) other bump:2.60548 Ang CD(164) at 39.9587 28.8198 5.70447 in (null):R-9999 (21) and CZ(221) at 37.3822 29.112 5.44972 in (null):R-9999 (28) neighbor-bump: 2.40587 Ang CG2(175) at 39.6626 33.4999 13.8439 in (null):I-9999 (22) and N(179) at 38.841 31.351 13.14 in (null):L-9999 (23) other bump:2.40845 Ang CE(14) at 37.6067 36.3692 14.7135 in (null):M-9999 (2) and CD1(176) at 38.9575 36.3585 12.7195 in (null):I-9999 (22) self-bump: 1.33533 Ang CA(172) at 39.819 32.937 11.545 in (null):I-9999 (22) and CB(173) at 39.387 33.8632 12.4044 in (null):I-9999 (22) other bump:2.07053 Ang O(135) at 45.314 37.431 5.139 in (null):F-9999 (17) and OE2(157) at 43.4804 37.3342 4.18212 in (null):E-9999 (20) other bump:2.54112 Ang O(116) at 44.773 37.539 10.05 in (null):V-9999 (15) and CD(148) at 45.6993 35.2431 9.47717 in (null):P-9999 (19) neighbor-bump: 2.74837 Ang CB(139) at 47.7052 36.8884 8.57014 in (null):P-9999 (18) and CD(148) at 45.6993 35.2431 9.47717 in (null):P-9999 (19) self-bump: 2.14582 Ang CA(145) at 44.08 34.282 8.218 in (null):P-9999 (19) and CG(147) at 45.2039 33.9184 10.0094 in (null):P-9999 (19) neighbor-bump: 2.59657 Ang N(126) at 44.072 39.596 7.585 in (null):F-9999 (17) and CD(141) at 46.5011 38.9033 8.18666 in (null):P-9999 (18) other bump:3.3178 Ang CA(112) at 45.777 39.258 11.405 in (null):V-9999 (15) and CD(141) at 46.5011 38.9033 8.18666 in (null):P-9999 (18) other bump:2.96473 Ang C(117) at 44.684 38.684 10.519 in (null):V-9999 (15) and CD(141) at 46.5011 38.9033 8.18666 in (null):P-9999 (18) other bump:1.5878 Ang O(109) at 46.781 40.223 9.024 in (null):A-9999 (14) and CD(141) at 46.5011 38.9033 8.18666 in (null):P-9999 (18) other bump:2.76215 Ang C(110) at 46.611 41.029 9.947 in (null):A-9999 (14) and CD(141) at 46.5011 38.9033 8.18666 in (null):P-9999 (18) other bump:2.1569 Ang O(109) at 46.781 40.223 9.024 in (null):A-9999 (14) and CG(140) at 47.8387 38.3765 8.67195 in (null):P-9999 (18) other bump:3.18885 Ang C(110) at 46.611 41.029 9.947 in (null):A-9999 (14) and CG(140) at 47.8387 38.3765 8.67195 in (null):P-9999 (18) other bump:2.04556 Ang OE1(55) at 48.7489 42.2795 17.6963 in (null):E-9999 (7) and CG1(85) at 48.182 42.58 15.754 in (null):I-9999 (11) other bump:3.14632 Ang CD(54) at 48.347 41.8669 18.814 in (null):E-9999 (7) and CG1(85) at 48.182 42.58 15.754 in (null):I-9999 (11) other bump:2.71249 Ang OE1(55) at 48.7489 42.2795 17.6963 in (null):E-9999 (7) and CB(84) at 47.598 43.978 15.922 in (null):I-9999 (11) neighbor-bump: 2.47544 Ang CB(67) at 45.7165 49.848 17.2844 in (null):L-9999 (9) and N(73) at 45.618 48.463 15.235 in (null):K-9999 (10) self-bump: 2.19099 Ang CB(67) at 45.7165 49.848 17.2844 in (null):L-9999 (9) and C(72) at 46.795 48.915 15.621 in (null):L-9999 (9) self-bump: 1.2746 Ang CA(66) at 46.915 49.508 17.015 in (null):L-9999 (9) and CB(67) at 45.7165 49.848 17.2844 in (null):L-9999 (9) other bump:2.21615 Ang OE2(27) at 46.2421 39.5892 20.1238 in (null):E-9999 (4) and OE2(56) at 47.6623 40.8185 18.9477 in (null):E-9999 (7) other bump:1.00392 Ang OE1(26) at 46.7654 41.2137 18.73 in (null):E-9999 (4) and OE2(56) at 47.6623 40.8185 18.9477 in (null):E-9999 (7) other bump:1.71258 Ang CD(25) at 46.127 40.7617 19.7044 in (null):E-9999 (4) and OE2(56) at 47.6623 40.8185 18.9477 in (null):E-9999 (7) other bump:1.71321 Ang OE1(26) at 46.7654 41.2137 18.73 in (null):E-9999 (4) and CD(54) at 48.347 41.8669 18.814 in (null):E-9999 (7) other bump:2.63489 Ang CD(25) at 46.127 40.7617 19.7044 in (null):E-9999 (4) and CD(54) at 48.347 41.8669 18.814 in (null):E-9999 (7) T0147_twice 485 :AEFA 1eywA 360 :PTLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 17 total=275 Number of alignments=19 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1eywA/T0147_twice-1eywA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1eywA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1eywA/T0147_twice-1eywA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1eywA in template set T0147_twice 3 :PVD 1eywA 36 :RIN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 6 :LHMHTVAST 1eywA 54 :THEHICGSS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.25897 Ang CA(53) at 42.463 40.031 23.708 in (null):A-9999 (7) and CB(54) at 43.4135 39.2327 23.9184 in (null):A-9999 (7) T0147_twice 15 :H 1eywA 64 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 17 :YSTLSDYIAQA 1eywA 73 :FGSRKALAEKA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.62162 Ang OG(17) at 33.4023 48.6548 16.05 in (null):S-9999 (2) and CB(43) at 31.3967 46.9955 15.7378 in (null):D-9999 (6) neighbor-bump: 2.52629 Ang O(18) at 33.05 51.827 18.114 in (null):S-9999 (2) and CG2(23) at 30.5503 51.4667 18.0526 in (null):T-9999 (3) neighbor-bump: 2.95685 Ang C(19) at 33.392 50.684 17.818 in (null):S-9999 (2) and CG2(23) at 30.5503 51.4667 18.0526 in (null):T-9999 (3) self-bump: 1.29109 Ang CA(15) at 34.482 50.421 16.808 in (null):S-9999 (2) and CB(16) at 33.9432 49.9273 15.7437 in (null):S-9999 (2) T0147_twice 56 :MRIW 1eywA 84 :VRGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 60 :PRVVDGVGILRGI 1eywA 89 :RARAAGVRTIVDV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.42336 Ang O(18) at 32.792 25.768 12.545 in (null):R-9999 (2) and OD2(39) at 33.8442 25.1153 11.8429 in (null):D-9999 (5) other bump:2.4591 Ang C(19) at 32.465 26.941 12.744 in (null):R-9999 (2) and OD2(39) at 33.8442 25.1153 11.8429 in (null):D-9999 (5) other bump:2.48876 Ang O(18) at 32.792 25.768 12.545 in (null):R-9999 (2) and CG(37) at 34.5564 25.3376 10.8434 in (null):D-9999 (5) other bump:3.2492 Ang C(19) at 32.465 26.941 12.744 in (null):R-9999 (2) and CG(37) at 34.5564 25.3376 10.8434 in (null):D-9999 (5) T0147_twice 106 :APHDKATNTQAMIATIASGNVHIISHPGNPK 1eywA 102 :STFDIGRDVSLLAEVSRAADVHIVAATGLWF Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.41786 Ang CG(27) at 46.089 38.942 33.52 in (null):D-9999 (4) and CD(213) at 46.049 36.5289 33.6664 in (null):P-9999 (30) other bump:1.54317 Ang OD2(29) at 45.324 37.891 33.646 in (null):D-9999 (4) and CD(213) at 46.049 36.5289 33.6664 in (null):P-9999 (30) other bump:2.67295 Ang OD1(28) at 47.254 38.87 33.206 in (null):D-9999 (4) and CD(213) at 46.049 36.5289 33.6664 in (null):P-9999 (30) self-bump: 1.37939 Ang N(209) at 47.201 35.779 33.551 in (null):P-9999 (30) and CD(213) at 46.049 36.5289 33.6664 in (null):P-9999 (30) other bump:2.69465 Ang CG(10) at 44.0036 35.2588 31.4141 in (null):P-9999 (2) and CG(212) at 45.8682 37.0261 32.2271 in (null):P-9999 (30) other bump:2.32185 Ang CG(27) at 46.089 38.942 33.52 in (null):D-9999 (4) and CG(212) at 45.8682 37.0261 32.2271 in (null):P-9999 (30) other bump:1.74853 Ang OD2(29) at 45.324 37.891 33.646 in (null):D-9999 (4) and CG(212) at 45.8682 37.0261 32.2271 in (null):P-9999 (30) other bump:2.50574 Ang OD1(28) at 47.254 38.87 33.206 in (null):D-9999 (4) and CG(212) at 45.8682 37.0261 32.2271 in (null):P-9999 (30) other bump:2.82543 Ang CG(27) at 46.089 38.942 33.52 in (null):D-9999 (4) and CB(211) at 47.281 37.1498 31.6897 in (null):P-9999 (30) other bump:2.29327 Ang OD1(28) at 47.254 38.87 33.206 in (null):D-9999 (4) and CB(211) at 47.281 37.1498 31.6897 in (null):P-9999 (30) neighbor-bump: 2.42708 Ang CA(181) at 38.509 30.527 32.337 in (null):H-9999 (26) and CD(194) at 38.7571 29.7254 34.6144 in (null):P-9999 (27) neighbor-bump: 2.05133 Ang C(189) at 38.736 31.452 33.507 in (null):H-9999 (26) and CD(194) at 38.7571 29.7254 34.6144 in (null):P-9999 (27) other bump:2.32231 Ang CG1(113) at 29.4535 31.5947 24.2632 in (null):I-9999 (16) and CD1(163) at 31.539 32.028 23.338 in (null):I-9999 (23) other bump:3.01144 Ang CE(87) at 33.8681 33.6927 24.6049 in (null):M-9999 (12) and CG2(162) at 33.278 30.847 25.394 in (null):I-9999 (23) other bump:2.59775 Ang CG1(113) at 29.4535 31.5947 24.2632 in (null):I-9999 (16) and CG1(161) at 31.69 30.518 23.497 in (null):I-9999 (23) other bump:2.99064 Ang CD1(115) at 29.8368 31.3036 25.7088 in (null):I-9999 (16) and CG1(161) at 31.69 30.518 23.497 in (null):I-9999 (23) other bump:2.98328 Ang CG1(113) at 29.4535 31.5947 24.2632 in (null):I-9999 (16) and CB(160) at 31.977 30.157 24.945 in (null):I-9999 (23) other bump:2.54536 Ang CD1(115) at 29.8368 31.3036 25.7088 in (null):I-9999 (16) and CB(160) at 31.977 30.157 24.945 in (null):I-9999 (23) other bump:2.59925 Ang CG2(114) at 27.4627 30.0155 24.0848 in (null):I-9999 (16) and O(146) at 28.57 28.731 22.115 in (null):V-9999 (21) other bump:2.45532 Ang C(6) at 40.795 34.926 30.03 in (null):A-9999 (1) and OG1(50) at 39.1602 36.7507 30.1926 in (null):T-9999 (7) other bump:2.57587 Ang CB(4) at 40.057 35.894 27.935 in (null):A-9999 (1) and OG1(50) at 39.1602 36.7507 30.1926 in (null):T-9999 (7) neighbor-bump: 2.3064 Ang O(39) at 41.484 40.473 28.011 in (null):K-9999 (5) and CB(43) at 40.755 42.5433 28.7195 in (null):A-9999 (6) neighbor-bump: 2.52218 Ang C(40) at 41.9 40.337 29.147 in (null):K-9999 (5) and CB(43) at 40.755 42.5433 28.7195 in (null):A-9999 (6) other bump:1.55956 Ang O(0) at 42.716 32.824 28.842 in (null):G-9999 (0) and NZ(38) at 42.2889 34.2635 28.4206 in (null):K-9999 (5) other bump:1.77319 Ang C(1) at 41.66 32.612 28.275 in (null):G-9999 (0) and NZ(38) at 42.2889 34.2635 28.4206 in (null):K-9999 (5) other bump:1.68732 Ang N(2) at 40.791 33.576 28.059 in (null):A-9999 (1) and NZ(38) at 42.2889 34.2635 28.4206 in (null):K-9999 (5) other bump:1.41599 Ang CA(3) at 41.036 34.913 28.537 in (null):A-9999 (1) and NZ(38) at 42.2889 34.2635 28.4206 in (null):K-9999 (5) other bump:2.29361 Ang C(6) at 40.795 34.926 30.03 in (null):A-9999 (1) and NZ(38) at 42.2889 34.2635 28.4206 in (null):K-9999 (5) other bump:2.26768 Ang CD(11) at 43.1187 35.3897 30.2054 in (null):P-9999 (2) and NZ(38) at 42.2889 34.2635 28.4206 in (null):K-9999 (5) other bump:2.14343 Ang CA(3) at 41.036 34.913 28.537 in (null):A-9999 (1) and CE(37) at 42.9964 35.5236 27.922 in (null):K-9999 (5) other bump:3.10597 Ang C(6) at 40.795 34.926 30.03 in (null):A-9999 (1) and CE(37) at 42.9964 35.5236 27.922 in (null):K-9999 (5) other bump:2.29059 Ang CD(11) at 43.1187 35.3897 30.2054 in (null):P-9999 (2) and CE(37) at 42.9964 35.5236 27.922 in (null):K-9999 (5) other bump:3.15935 Ang CA(3) at 41.036 34.913 28.537 in (null):A-9999 (1) and CD(36) at 44.002 35.888 29.0202 in (null):K-9999 (5) other bump:2.87664 Ang N(7) at 41.773 35.404 30.773 in (null):P-9999 (2) and CD(36) at 44.002 35.888 29.0202 in (null):K-9999 (5) other bump:2.47517 Ang CG(10) at 44.0036 35.2588 31.4141 in (null):P-9999 (2) and CD(36) at 44.002 35.888 29.0202 in (null):K-9999 (5) other bump:1.55987 Ang CD(11) at 43.1187 35.3897 30.2054 in (null):P-9999 (2) and CD(36) at 44.002 35.888 29.0202 in (null):K-9999 (5) other bump:2.51992 Ang CD(11) at 43.1187 35.3897 30.2054 in (null):P-9999 (2) and CG(35) at 44.2333 37.3837 29.1416 in (null):K-9999 (5) other bump:3.11518 Ang CD(11) at 43.1187 35.3897 30.2054 in (null):P-9999 (2) and CB(34) at 42.9105 38.1823 28.8407 in (null):K-9999 (5) T0147_twice 137 :YEIDVKAVAEAAAK 1eywA 143 :VEELTQFFLREIQY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0147_twice 151 :HQVA 1eywA 164 :RAGI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.6406 Ang CG(15) at 37.5812 28.7301 35.1609 in (null):Q-9999 (2) and O(31) at 39.857 28.019 34.026 in (null):A-9999 (4) other bump:2.29757 Ang CD(16) at 38.8328 29.5586 35.3896 in (null):Q-9999 (2) and O(31) at 39.857 28.019 34.026 in (null):A-9999 (4) T0147_twice 158 :NNSS 1eywA 171 :ATTG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 1.94334 Ang O(22) at 59.535 34.932 29.536 in (null):S-9999 (3) and OG(27) at 61.3427 34.7218 28.8543 in (null):S-9999 (4) neighbor-bump: 2.66864 Ang C(23) at 58.861 33.933 29.438 in (null):S-9999 (3) and OG(27) at 61.3427 34.7218 28.8543 in (null):S-9999 (4) neighbor-bump: 2.04389 Ang O(22) at 59.535 34.932 29.536 in (null):S-9999 (3) and CB(26) at 61.2901 34.0509 30.1025 in (null):S-9999 (4) neighbor-bump: 2.52108 Ang C(23) at 58.861 33.933 29.438 in (null):S-9999 (3) and CB(26) at 61.2901 34.0509 30.1025 in (null):S-9999 (4) T0147_twice 164 :HSRKGSEDNCREVAAAVRDAGGWVAL 1eywA 175 :KATPFQELVLKAAARASLATGVPVTT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.13719 Ang CE3(167) at 43.0923 23.4759 30.5446 in (null):W-9999 (23) and CB(183) at 45.209 25.483 29.39 in (null):A-9999 (25) other bump:2.20159 Ang CZ3(170) at 43.2271 24.5698 29.6814 in (null):W-9999 (23) and CB(183) at 45.209 25.483 29.39 in (null):A-9999 (25) other bump:3.1389 Ang CH2(171) at 42.0957 25.1992 29.1086 in (null):W-9999 (23) and CB(183) at 45.209 25.483 29.39 in (null):A-9999 (25) neighbor-bump: 3.18421 Ang CE3(167) at 43.0923 23.4759 30.5446 in (null):W-9999 (23) and C(180) at 45.695 23.862 32.338 in (null):V-9999 (24) other bump:2.50039 Ang CG2(125) at 44.0792 23.1931 38.1105 in (null):V-9999 (17) and CG2(178) at 45.631 23.602 36.193 in (null):V-9999 (24) T0147_twice 194 :HTAFTMGEFEECLKILDAVDFPPERI 1eywA 201 :HTAASQRDGEQQAAIFESEGLSPSRV Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.95302 Ang CD2(103) at 54.1825 19.3689 32.873 in (null):L-9999 (13) and CD1(209) at 51.37 19.8831 33.6117 in (null):I-9999 (26) other bump:1.93672 Ang CE2(166) at 48.0865 19.4188 35.9129 in (null):F-9999 (21) and CG2(208) at 48.5442 20.709 34.5429 in (null):I-9999 (26) other bump:2.58201 Ang CZ(167) at 46.7362 19.5825 36.002 in (null):F-9999 (21) and CG2(208) at 48.5442 20.709 34.5429 in (null):I-9999 (26) other bump:2.91519 Ang CD2(164) at 48.8452 19.2896 37.0714 in (null):F-9999 (21) and CG2(208) at 48.5442 20.709 34.5429 in (null):I-9999 (26) other bump:2.77835 Ang CZ(167) at 46.7362 19.5825 36.002 in (null):F-9999 (21) and C(203) at 45.903 18.988 33.419 in (null):R-9999 (25) other bump:2.79959 Ang CZ(167) at 46.7362 19.5825 36.002 in (null):F-9999 (21) and O(202) at 45.352 20.066 33.617 in (null):R-9999 (25) other bump:2.37332 Ang CZ(167) at 46.7362 19.5825 36.002 in (null):F-9999 (21) and CB(195) at 45.091 17.96 35.46 in (null):R-9999 (25) other bump:2.62103 Ang CE1(165) at 46.1355 19.5839 37.2325 in (null):F-9999 (21) and CB(195) at 45.091 17.96 35.46 in (null):R-9999 (25) other bump:3.11546 Ang CZ(167) at 46.7362 19.5825 36.002 in (null):F-9999 (21) and CA(194) at 45.304 17.709 33.966 in (null):R-9999 (25) neighbor-bump: 2.86024 Ang CE2(166) at 48.0865 19.4188 35.9129 in (null):F-9999 (21) and O(175) at 48.244 16.563 35.888 in (null):P-9999 (22) other bump:2.05648 Ang CE1(30) at 54.46 24.9251 24.0728 in (null):F-9999 (4) and CZ(71) at 53.7865 24.0818 25.8233 in (null):F-9999 (9) other bump:2.74148 Ang CZ(32) at 53.4341 25.786 23.7049 in (null):F-9999 (4) and CZ(71) at 53.7865 24.0818 25.8233 in (null):F-9999 (9) other bump:2.38632 Ang CE1(30) at 54.46 24.9251 24.0728 in (null):F-9999 (4) and CE2(70) at 54.6115 23.0445 25.5339 in (null):F-9999 (9) other bump:2.9759 Ang CE1(30) at 54.46 24.9251 24.0728 in (null):F-9999 (4) and CE1(69) at 53.9264 24.7617 26.9959 in (null):F-9999 (9) other bump:2.47566 Ang CG2(15) at 54.586 26.923 28.007 in (null):T-9999 (2) and CE1(69) at 53.9264 24.7617 26.9959 in (null):F-9999 (9) other bump:2.56831 Ang CG2(15) at 54.586 26.923 28.007 in (null):T-9999 (2) and CD1(67) at 54.9408 24.3811 27.9125 in (null):F-9999 (9) other bump:2.18001 Ang CB(21) at 58.834 31.704 26.143 in (null):A-9999 (3) and OE2(60) at 58.413 31.6348 28.2808 in (null):E-9999 (8) other bump:2.61298 Ang CA(13) at 54.741 29.389 27.249 in (null):T-9999 (2) and OE1(59) at 56.591 30.4439 28.763 in (null):E-9999 (8) other bump:2.3779 Ang N(19) at 56.82 30.309 26.4 in (null):A-9999 (3) and OE1(59) at 56.591 30.4439 28.763 in (null):E-9999 (8) other bump:2.52327 Ang N(19) at 56.82 30.309 26.4 in (null):A-9999 (3) and CD(58) at 57.8342 30.6044 28.6915 in (null):E-9999 (8) other bump:3.24285 Ang CA(20) at 57.784 30.858 25.459 in (null):A-9999 (3) and CD(58) at 57.8342 30.6044 28.6915 in (null):E-9999 (8) other bump:2.95022 Ang CB(21) at 58.834 31.704 26.143 in (null):A-9999 (3) and CD(58) at 57.8342 30.6044 28.6915 in (null):E-9999 (8) other bump:3.0129 Ang OG1(16) at 54.984 27.453 25.698 in (null):T-9999 (2) and CE2(31) at 53.7224 26.9494 23.0087 in (null):F-9999 (4) T0147_twice 349 :VFAPHDKATNTQAMIATIASGNVHIISHPGNPKYEIDVKAVAEAA 1eywA 227 :CIGHSDDTDDLSYLTALAARGYLIGLDHIPHSAIGLEDNASASAL Fragment has 104 clashes (null) has 104 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.36358 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and N(327) at 55.296 39.279 16.606 in (null):A-9999 (45) other bump:1.94988 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and N(322) at 57.282 40.168 14.891 in (null):A-9999 (44) other bump:2.59762 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and C(321) at 57.121 39.216 13.968 in (null):E-9999 (43) other bump:2.64422 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and C(321) at 57.121 39.216 13.968 in (null):E-9999 (43) other bump:2.03238 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and C(321) at 57.121 39.216 13.968 in (null):E-9999 (43) other bump:1.72159 Ang CA(273) at 58.556 40.481 6.947 in (null):D-9999 (37) and OE2(319) at 58.9102 41.13 8.50174 in (null):E-9999 (43) other bump:1.61477 Ang O(278) at 59.566 42.476 7.897 in (null):D-9999 (37) and OE2(319) at 58.9102 41.13 8.50174 in (null):E-9999 (43) other bump:1.68446 Ang C(279) at 58.813 41.989 7.056 in (null):D-9999 (37) and OE2(319) at 58.9102 41.13 8.50174 in (null):E-9999 (43) other bump:2.8214 Ang CA(273) at 58.556 40.481 6.947 in (null):D-9999 (37) and CD(317) at 59.0954 40.8093 9.69683 in (null):E-9999 (43) other bump:2.49776 Ang O(278) at 59.566 42.476 7.897 in (null):D-9999 (37) and CD(317) at 59.0954 40.8093 9.69683 in (null):E-9999 (43) other bump:2.9061 Ang C(279) at 58.813 41.989 7.056 in (null):D-9999 (37) and CD(317) at 59.0954 40.8093 9.69683 in (null):E-9999 (43) other bump:3.10081 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and CB(315) at 58.0452 40.1143 11.8995 in (null):E-9999 (43) other bump:3.15533 Ang CG(237) at 54.2894 38.0746 11.4151 in (null):K-9999 (33) and CA(314) at 56.764 39.667 12.554 in (null):E-9999 (43) other bump:1.7514 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and CA(314) at 56.764 39.667 12.554 in (null):E-9999 (43) other bump:2.49532 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and CA(314) at 56.764 39.667 12.554 in (null):E-9999 (43) other bump:2.37504 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and CA(314) at 56.764 39.667 12.554 in (null):E-9999 (43) other bump:3.17307 Ang CG(237) at 54.2894 38.0746 11.4151 in (null):K-9999 (33) and N(313) at 55.721 40.662 12.566 in (null):E-9999 (43) other bump:1.79857 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and N(313) at 55.721 40.662 12.566 in (null):E-9999 (43) other bump:2.06004 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and N(313) at 55.721 40.662 12.566 in (null):E-9999 (43) other bump:1.94661 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and N(313) at 55.721 40.662 12.566 in (null):E-9999 (43) other bump:2.84976 Ang CG(237) at 54.2894 38.0746 11.4151 in (null):K-9999 (33) and C(312) at 54.53 40.39 13.059 in (null):A-9999 (42) other bump:1.75473 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and C(312) at 54.53 40.39 13.059 in (null):A-9999 (42) other bump:1.17489 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and C(312) at 54.53 40.39 13.059 in (null):A-9999 (42) other bump:1.62527 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and C(312) at 54.53 40.39 13.059 in (null):A-9999 (42) other bump:2.43821 Ang CG(237) at 54.2894 38.0746 11.4151 in (null):K-9999 (33) and O(311) at 54.234 39.304 13.52 in (null):A-9999 (42) other bump:1.61609 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and O(311) at 54.234 39.304 13.52 in (null):A-9999 (42) other bump:0.281393 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and O(311) at 54.234 39.304 13.52 in (null):A-9999 (42) other bump:1.7067 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and O(311) at 54.234 39.304 13.52 in (null):A-9999 (42) other bump:3.12536 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and CA(309) at 53.551 41.531 13.006 in (null):A-9999 (42) other bump:2.46405 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and CA(309) at 53.551 41.531 13.006 in (null):A-9999 (42) other bump:2.68611 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and CA(309) at 53.551 41.531 13.006 in (null):A-9999 (42) neighbor-bump: 2.15667 Ang O(253) at 53.458 36.057 4.889 in (null):Y-9999 (34) and CB(257) at 53.3817 37.1779 3.0481 in (null):E-9999 (35) neighbor-bump: 2.58361 Ang C(254) at 54.695 36.069 4.977 in (null):Y-9999 (34) and CB(257) at 53.3817 37.1779 3.0481 in (null):E-9999 (35) other bump:2.1441 Ang O(217) at 48.662 32.069 10.977 in (null):G-9999 (30) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) other bump:2.37986 Ang C(218) at 48.72 31.13 11.773 in (null):G-9999 (30) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) neighbor-bump: 2.41081 Ang N(219) at 49.485 31.136 12.887 in (null):N-9999 (31) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) neighbor-bump: 2.22143 Ang CA(220) at 50.344 32.277 13.253 in (null):N-9999 (31) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) neighbor-bump: 2.28427 Ang O(225) at 52.535 31.584 12.503 in (null):N-9999 (31) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) neighbor-bump: 1.50905 Ang C(226) at 51.574 32.356 12.353 in (null):N-9999 (31) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) neighbor-bump: 2.23923 Ang O(225) at 52.535 31.584 12.503 in (null):N-9999 (31) and CG(230) at 51.8402 31.2109 10.4072 in (null):P-9999 (32) neighbor-bump: 2.27333 Ang C(226) at 51.574 32.356 12.353 in (null):N-9999 (31) and CG(230) at 51.8402 31.2109 10.4072 in (null):P-9999 (32) other bump:2.40991 Ang CA(199) at 49.476 28.718 16.923 in (null):H-9999 (28) and OD1(224) at 49.8218 31.0814 16.6028 in (null):N-9999 (31) other bump:2.54345 Ang CD2(202) at 49.52 30.649 19.091 in (null):H-9999 (28) and OD1(224) at 49.8218 31.0814 16.6028 in (null):N-9999 (31) other bump:2.31282 Ang CB(200) at 50.851 29.183 17.431 in (null):H-9999 (28) and OD1(224) at 49.8218 31.0814 16.6028 in (null):N-9999 (31) other bump:2.30845 Ang CG(201) at 50.669 30.157 18.541 in (null):H-9999 (28) and OD1(224) at 49.8218 31.0814 16.6028 in (null):N-9999 (31) other bump:2.73097 Ang C(197) at 47.959 27.454 18.341 in (null):S-9999 (27) and CD(212) at 47.8907 26.6577 15.7296 in (null):P-9999 (29) neighbor-bump: 2.42224 Ang N(198) at 49.104 27.51 17.645 in (null):H-9999 (28) and CD(212) at 47.8907 26.6577 15.7296 in (null):P-9999 (29) other bump:2.19863 Ang CE(55) at 53.0895 30.7772 20.9883 in (null):K-9999 (7) and CE1(204) at 51.237 31.578 20.116 in (null):H-9999 (28) other bump:2.77471 Ang NZ(56) at 52.872 31.3434 22.3455 in (null):K-9999 (7) and CE1(204) at 51.237 31.578 20.116 in (null):H-9999 (28) other bump:2.23974 Ang CE(55) at 53.0895 30.7772 20.9883 in (null):K-9999 (7) and ND1(203) at 51.744 30.748 19.198 in (null):H-9999 (28) other bump:3.39614 Ang NZ(56) at 52.872 31.3434 22.3455 in (null):K-9999 (7) and ND1(203) at 51.744 30.748 19.198 in (null):H-9999 (28) other bump:1.89687 Ang CG2(180) at 47.1665 24.2278 22.9489 in (null):I-9999 (25) and OG(195) at 46.9226 25.3503 21.4393 in (null):S-9999 (27) other bump:3.03091 Ang CD2(170) at 52.4489 19.7803 21.1233 in (null):H-9999 (24) and CG1(187) at 50.9596 20.9837 18.7737 in (null):I-9999 (26) other bump:3.12616 Ang NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) and CG1(187) at 50.9596 20.9837 18.7737 in (null):I-9999 (26) other bump:3.03565 Ang CB(4) at 46.8203 21.9768 28.0035 in (null):V-9999 (1) and CD1(181) at 46.8181 21.9043 24.9688 in (null):I-9999 (25) other bump:1.6626 Ang CG1(5) at 47.1309 22.3274 26.5459 in (null):V-9999 (1) and CD1(181) at 46.8181 21.9043 24.9688 in (null):I-9999 (25) other bump:1.77752 Ang CG1(5) at 47.1309 22.3274 26.5459 in (null):V-9999 (1) and CG1(179) at 47.8081 23.0476 25.0686 in (null):I-9999 (25) other bump:0.442978 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:2.49999 Ang CB(34) at 53.1697 22.9292 22.1631 in (null):H-9999 (5) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:1.47161 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:2.61845 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:1.77866 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:2.20998 Ang CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:1.17871 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:1.79052 Ang CB(34) at 53.1697 22.9292 22.1631 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:0.400955 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:1.36502 Ang ND1(37) at 55.0375 21.2704 22.5838 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:2.0314 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:1.95754 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:2.85394 Ang CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:3.05287 Ang CA(33) at 54.022 24.318 21.777 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:2.06673 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:2.48911 Ang CB(34) at 53.1697 22.9292 22.1631 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:1.63697 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:1.873 Ang ND1(37) at 55.0375 21.2704 22.5838 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:2.37207 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:2.46392 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:1.58387 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and CD2(170) at 52.4489 19.7803 21.1233 in (null):H-9999 (24) other bump:2.49919 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and CD2(170) at 52.4489 19.7803 21.1233 in (null):H-9999 (24) other bump:2.27161 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and CD2(170) at 52.4489 19.7803 21.1233 in (null):H-9999 (24) other bump:2.72683 Ang CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) and CD2(170) at 52.4489 19.7803 21.1233 in (null):H-9999 (24) other bump:2.25714 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and CG(169) at 52.4672 19.6261 22.4668 in (null):H-9999 (24) other bump:2.56599 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and CG(169) at 52.4672 19.6261 22.4668 in (null):H-9999 (24) other bump:2.64736 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and CG(169) at 52.4672 19.6261 22.4668 in (null):H-9999 (24) other bump:2.38291 Ang CE2(16) at 53.0433 20.1125 30.9879 in (null):F-9999 (2) and OD1(156) at 52.5683 17.9936 31.9692 in (null):N-9999 (22) other bump:2.88901 Ang CG2(124) at 55.2474 18.2519 28.6088 in (null):T-9999 (17) and ND2(155) at 54.409 17.045 31.0961 in (null):N-9999 (22) other bump:2.62379 Ang CE2(16) at 53.0433 20.1125 30.9879 in (null):F-9999 (2) and CG(154) at 53.1632 17.4915 31.0114 in (null):N-9999 (22) other bump:3.12246 Ang CE2(16) at 53.0433 20.1125 30.9879 in (null):F-9999 (2) and CB(153) at 52.486 17.3375 29.6693 in (null):N-9999 (22) other bump:1.91005 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) other bump:3.01497 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) other bump:2.31305 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) other bump:1.18514 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) other bump:3.18926 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and SD(104) at 56.5756 20.1009 19.6392 in (null):M-9999 (14) other bump:2.67377 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and SD(104) at 56.5756 20.1009 19.6392 in (null):M-9999 (14) other bump:2.37489 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and SD(104) at 56.5756 20.1009 19.6392 in (null):M-9999 (14) other bump:2.00501 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and CG(103) at 57.3079 19.85 21.267 in (null):M-9999 (14) other bump:2.59548 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and CG(103) at 57.3079 19.85 21.267 in (null):M-9999 (14) other bump:2.47583 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and CB(102) at 57.223 18.3922 21.7263 in (null):M-9999 (14) other bump:2.67799 Ang CB(27) at 51.7993 28.8912 22.2575 in (null):P-9999 (4) and NZ(56) at 52.872 31.3434 22.3455 in (null):K-9999 (7) other bump:2.61388 Ang CB(27) at 51.7993 28.8912 22.2575 in (null):P-9999 (4) and CE(55) at 53.0895 30.7772 20.9883 in (null):K-9999 (7) neighbor-bump: 2.42736 Ang CB(22) at 49.5727 26.9783 25.7086 in (null):A-9999 (3) and CD(29) at 51.3509 27.9005 24.3377 in (null):P-9999 (4) neighbor-bump: 2.04161 Ang O(23) at 52.635 26.414 24.894 in (null):A-9999 (3) and CD(29) at 51.3509 27.9005 24.3377 in (null):P-9999 (4) neighbor-bump: 1.58369 Ang C(24) at 51.505 26.326 24.41 in (null):A-9999 (3) and CD(29) at 51.3509 27.9005 24.3377 in (null):P-9999 (4) self-bump: 2.22697 Ang CA(26) at 52.013 27.492 22.251 in (null):P-9999 (4) and CD(29) at 51.3509 27.9005 24.3377 in (null):P-9999 (4) T0147_twice 410 :SRKGSEDNCREVAAAVRDAGG 1eywA 272 :LGIRSWQTRALLIKALIDQGY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 2.14937 Ang O(6) at 54.474 33.666 13.863 in (null):S-9999 (1) and CB(10) at 56.5172 32.9992 13.8867 in (null):R-9999 (2) neighbor-bump: 2.59055 Ang C(7) at 54.722 34.852 14.122 in (null):S-9999 (1) and CB(10) at 56.5172 32.9992 13.8867 in (null):R-9999 (2) T0147_twice 431 :WVALGSDSHTAFT 1eywA 295 :QILVSNDWLFGFS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 2.18746 Ang CB(79) at 39.2815 43.3302 18.7852 in (null):A-9999 (11) and C(81) at 40.72 41.947 19.681 in (null):A-9999 (11) self-bump: 1.23808 Ang CA(78) at 39.382 42.11 18.969 in (null):A-9999 (11) and CB(79) at 39.2815 43.3302 18.7852 in (null):A-9999 (11) T0147_twice 448 :EECLKILDAVDFPPERILNVSPRRLLNFLESRGMAP 1eywA 308 :SYVTNIMDVMDRVNPDGMAFIPLRVIPFLREKGVPQ Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.51683 Ang NE(126) at 41.2647 28.4057 6.1067 in (null):R-9999 (16) and CD(191) at 43.3 27.555 4.895 in (null):R-9999 (24) other bump:2.23321 Ang CZ(127) at 41.8292 27.2976 6.55564 in (null):R-9999 (16) and CD(191) at 43.3 27.555 4.895 in (null):R-9999 (24) other bump:1.92944 Ang NH2(129) at 43.131 27.3806 6.8091 in (null):R-9999 (16) and CD(191) at 43.3 27.555 4.895 in (null):R-9999 (24) other bump:2.60584 Ang NE(126) at 41.2647 28.4057 6.1067 in (null):R-9999 (16) and CG(190) at 42.606 26.289 5.392 in (null):R-9999 (24) other bump:1.72477 Ang CZ(127) at 41.8292 27.2976 6.55564 in (null):R-9999 (16) and CG(190) at 42.606 26.289 5.392 in (null):R-9999 (24) other bump:1.86425 Ang NH2(129) at 43.131 27.3806 6.8091 in (null):R-9999 (16) and CG(190) at 42.606 26.289 5.392 in (null):R-9999 (24) other bump:2.55703 Ang CZ(127) at 41.8292 27.2976 6.55564 in (null):R-9999 (16) and CB(189) at 43.44 25.333 6.266 in (null):R-9999 (24) other bump:2.38012 Ang NH1(128) at 41.2521 26.1143 6.78349 in (null):R-9999 (16) and CB(189) at 43.44 25.333 6.266 in (null):R-9999 (24) other bump:2.14086 Ang NH2(129) at 43.131 27.3806 6.8091 in (null):R-9999 (16) and CB(189) at 43.44 25.333 6.266 in (null):R-9999 (24) other bump:2.67457 Ang NH1(128) at 41.2521 26.1143 6.78349 in (null):R-9999 (16) and CA(188) at 42.758 23.955 6.311 in (null):R-9999 (24) other bump:2.035 Ang NH1(128) at 41.2521 26.1143 6.78349 in (null):R-9999 (16) and N(187) at 41.445 24.092 6.904 in (null):R-9999 (24) other bump:2.57397 Ang NH1(128) at 41.2521 26.1143 6.78349 in (null):R-9999 (16) and C(186) at 40.381 23.765 6.194 in (null):R-9999 (23) other bump:1.94463 Ang CG(124) at 39.6798 30.2711 6.07812 in (null):R-9999 (16) and NH1(183) at 37.7798 29.9837 6.37592 in (null):R-9999 (23) other bump:2.55987 Ang CD(125) at 39.9587 28.8198 5.70447 in (null):R-9999 (16) and NH1(183) at 37.7798 29.9837 6.37592 in (null):R-9999 (23) other bump:2.37124 Ang CB(123) at 39.7526 30.4867 7.59157 in (null):R-9999 (16) and NH1(183) at 37.7798 29.9837 6.37592 in (null):R-9999 (23) other bump:2.64912 Ang CG(124) at 39.6798 30.2711 6.07812 in (null):R-9999 (16) and CZ(182) at 37.3822 29.112 5.44972 in (null):R-9999 (23) other bump:2.60548 Ang CD(125) at 39.9587 28.8198 5.70447 in (null):R-9999 (16) and CZ(182) at 37.3822 29.112 5.44972 in (null):R-9999 (23) neighbor-bump: 2.40587 Ang CG2(136) at 39.6626 33.4999 13.8439 in (null):I-9999 (17) and N(140) at 38.841 31.351 13.14 in (null):L-9999 (18) self-bump: 1.33533 Ang CA(133) at 39.819 32.937 11.545 in (null):I-9999 (17) and CB(134) at 39.387 33.8632 12.4044 in (null):I-9999 (17) other bump:2.07053 Ang O(96) at 45.314 37.431 5.139 in (null):F-9999 (12) and OE2(118) at 43.4804 37.3342 4.18212 in (null):E-9999 (15) other bump:2.54112 Ang O(77) at 44.773 37.539 10.05 in (null):V-9999 (10) and CD(109) at 45.6993 35.2431 9.47717 in (null):P-9999 (14) neighbor-bump: 2.74837 Ang CB(100) at 47.7052 36.8884 8.57014 in (null):P-9999 (13) and CD(109) at 45.6993 35.2431 9.47717 in (null):P-9999 (14) self-bump: 2.14582 Ang CA(106) at 44.08 34.282 8.218 in (null):P-9999 (14) and CG(108) at 45.2039 33.9184 10.0094 in (null):P-9999 (14) other bump:3.3178 Ang CA(73) at 45.777 39.258 11.405 in (null):V-9999 (10) and CD(102) at 46.5011 38.9033 8.18666 in (null):P-9999 (13) other bump:2.96473 Ang C(78) at 44.684 38.684 10.519 in (null):V-9999 (10) and CD(102) at 46.5011 38.9033 8.18666 in (null):P-9999 (13) other bump:1.5878 Ang O(70) at 46.781 40.223 9.024 in (null):A-9999 (9) and CD(102) at 46.5011 38.9033 8.18666 in (null):P-9999 (13) other bump:2.76215 Ang C(71) at 46.611 41.029 9.947 in (null):A-9999 (9) and CD(102) at 46.5011 38.9033 8.18666 in (null):P-9999 (13) neighbor-bump: 2.59657 Ang N(87) at 44.072 39.596 7.585 in (null):F-9999 (12) and CD(102) at 46.5011 38.9033 8.18666 in (null):P-9999 (13) other bump:2.1569 Ang O(70) at 46.781 40.223 9.024 in (null):A-9999 (9) and CG(101) at 47.8387 38.3765 8.67195 in (null):P-9999 (13) other bump:3.18885 Ang C(71) at 46.611 41.029 9.947 in (null):A-9999 (9) and CG(101) at 47.8387 38.3765 8.67195 in (null):P-9999 (13) other bump:2.04556 Ang OE1(16) at 48.7489 42.2795 17.6963 in (null):E-9999 (2) and CG1(46) at 48.182 42.58 15.754 in (null):I-9999 (6) other bump:3.14632 Ang CD(15) at 48.347 41.8669 18.814 in (null):E-9999 (2) and CG1(46) at 48.182 42.58 15.754 in (null):I-9999 (6) other bump:2.71249 Ang OE1(16) at 48.7489 42.2795 17.6963 in (null):E-9999 (2) and CB(45) at 47.598 43.978 15.922 in (null):I-9999 (6) neighbor-bump: 2.47544 Ang CB(28) at 45.7165 49.848 17.2844 in (null):L-9999 (4) and N(34) at 45.618 48.463 15.235 in (null):K-9999 (5) self-bump: 2.19099 Ang CB(28) at 45.7165 49.848 17.2844 in (null):L-9999 (4) and C(33) at 46.795 48.915 15.621 in (null):L-9999 (4) self-bump: 1.27459 Ang CA(27) at 46.915 49.508 17.015 in (null):L-9999 (4) and CB(28) at 45.7165 49.848 17.2844 in (null):L-9999 (4) T0147_twice 485 :AEFA 1eywA 360 :PTLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 17 total=292 Number of alignments=20 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1pscA/T0147_twice-1pscA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1pscA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1pscA/T0147_twice-1pscA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # adding 1pscA to template set 1pscA:# found chain 1pscA in template set T0147_twice 44 :MEDAPHH 1pscA 75 :SRKALAE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.51558 Ang OD1(23) at 24.8852 -16.7347 33.9463 in (null):D-9999 (3) and CD2(53) at 25.1684 -15.2145 35.9305 in (null):H-9999 (7) other bump:3.04885 Ang C(18) at 29.219 -17.707 31.402 in (null):E-9999 (2) and CD(36) at 31.406 -17.6803 33.5261 in (null):P-9999 (5) other bump:2.77569 Ang C(9) at 30.922 -20.073 32.205 in (null):M-9999 (1) and CD(36) at 31.406 -17.6803 33.5261 in (null):P-9999 (5) other bump:1.61542 Ang O(8) at 31.434 -19.143 32.841 in (null):M-9999 (1) and CD(36) at 31.406 -17.6803 33.5261 in (null):P-9999 (5) other bump:2.28752 Ang O(8) at 31.434 -19.143 32.841 in (null):M-9999 (1) and CG(35) at 32.7423 -17.269 32.9366 in (null):P-9999 (5) T0147_twice 54 :INMRIW 1pscA 82 :KAVRGL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.39724 Ang O(16) at 30.626 -7.167 36.194 in (null):N-9999 (2) and CD1(49) at 31.235 -5.64403 34.4457 in (null):W-9999 (6) T0147_twice 60 :PRVVDGVGILRGI 1pscA 89 :RARAAGVRTIVDV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.442 Ang O(18) at 31.346 2.451 40.254 in (null):R-9999 (2) and OD2(39) at 32.4751 2.94156 41.0048 in (null):D-9999 (5) other bump:2.4085 Ang C(19) at 31.113 1.202 40.046 in (null):R-9999 (2) and OD2(39) at 32.4751 2.94156 41.0048 in (null):D-9999 (5) other bump:2.54684 Ang O(18) at 31.346 2.451 40.254 in (null):R-9999 (2) and CG(37) at 33.1233 2.75098 42.0533 in (null):D-9999 (5) other bump:3.23574 Ang C(19) at 31.113 1.202 40.046 in (null):R-9999 (2) and CG(37) at 33.1233 2.75098 42.0533 in (null):D-9999 (5) T0147_twice 106 :APHDKATNTQAMIATIASGNVHIISHPGNPK 1pscA 102 :STFDIGRDVSLLAEVSRAADVHIVAATGLWF Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.47627 Ang CG(27) at 45.753 -10.275 19.481 in (null):D-9999 (4) and CD(213) at 45.7983 -7.80739 19.2791 in (null):P-9999 (30) other bump:1.58504 Ang OD1(28) at 45.015 -9.185 19.311 in (null):D-9999 (4) and CD(213) at 45.7983 -7.80739 19.2791 in (null):P-9999 (30) neighbor-bump: 2.35696 Ang CA(202) at 45.85 -6.182 17.573 in (null):N-9999 (29) and CD(213) at 45.7983 -7.80739 19.2791 in (null):P-9999 (30) other bump:2.75797 Ang OD2(29) at 46.917 -10.259 19.866 in (null):D-9999 (4) and CD(213) at 45.7983 -7.80739 19.2791 in (null):P-9999 (30) self-bump: 1.36622 Ang N(209) at 46.931 -7.065 19.459 in (null):P-9999 (30) and CD(213) at 45.7983 -7.80739 19.2791 in (null):P-9999 (30) other bump:2.8309 Ang CG(10) at 43.5112 -6.6725 21.6615 in (null):P-9999 (2) and CG(212) at 45.5815 -8.34592 20.6983 in (null):P-9999 (30) other bump:2.28749 Ang CG(27) at 45.753 -10.275 19.481 in (null):D-9999 (4) and CG(212) at 45.5815 -8.34592 20.6983 in (null):P-9999 (30) other bump:1.71744 Ang OD1(28) at 45.015 -9.185 19.311 in (null):D-9999 (4) and CG(212) at 45.5815 -8.34592 20.6983 in (null):P-9999 (30) other bump:2.47714 Ang OD2(29) at 46.917 -10.259 19.866 in (null):D-9999 (4) and CG(212) at 45.5815 -8.34592 20.6983 in (null):P-9999 (30) other bump:2.80653 Ang CG(27) at 45.753 -10.275 19.481 in (null):D-9999 (4) and CB(211) at 46.9807 -8.49041 21.2656 in (null):P-9999 (30) other bump:2.25627 Ang OD2(29) at 46.917 -10.259 19.866 in (null):D-9999 (4) and CB(211) at 46.9807 -8.49041 21.2656 in (null):P-9999 (30) neighbor-bump: 2.10579 Ang C(189) at 38.339 -2.833 19.484 in (null):H-9999 (26) and CD(194) at 38.3013 -1.05358 18.3586 in (null):P-9999 (27) other bump:2.41451 Ang CG1(113) at 28.626 -3.47924 28.2642 in (null):I-9999 (16) and CD1(163) at 30.789 -3.858 29.268 in (null):I-9999 (23) other bump:2.84363 Ang CE(87) at 33.54 -4.43772 25.374 in (null):M-9999 (12) and CG2(162) at 32.475 -2.564 27.229 in (null):I-9999 (23) other bump:3.04069 Ang CD1(115) at 29.0598 -3.19891 26.8307 in (null):I-9999 (16) and CG1(161) at 30.867 -2.334 29.118 in (null):I-9999 (23) other bump:2.6576 Ang CG1(113) at 28.626 -3.47924 28.2642 in (null):I-9999 (16) and CG1(161) at 30.867 -2.334 29.118 in (null):I-9999 (23) other bump:2.58802 Ang CD1(115) at 29.0598 -3.19891 26.8307 in (null):I-9999 (16) and CB(160) at 31.141 -1.913 27.675 in (null):I-9999 (23) other bump:3.02086 Ang CG1(113) at 28.626 -3.47924 28.2642 in (null):I-9999 (16) and CB(160) at 31.141 -1.913 27.675 in (null):I-9999 (23) other bump:2.63692 Ang CG2(114) at 26.6625 -1.86043 28.3781 in (null):I-9999 (16) and O(146) at 27.632 -0.507 30.423 in (null):V-9999 (21) other bump:2.58325 Ang CB(4) at 39.405 -7.464 24.941 in (null):A-9999 (1) and OG1(50) at 38.5045 -8.05552 22.5931 in (null):T-9999 (7) other bump:2.2031 Ang O(5) at 39.148 -5.962 22.355 in (null):A-9999 (1) and OG1(50) at 38.5045 -8.05552 22.5931 in (null):T-9999 (7) other bump:2.38959 Ang C(6) at 40.187 -6.377 22.842 in (null):A-9999 (1) and OG1(50) at 38.5045 -8.05552 22.5931 in (null):T-9999 (7) neighbor-bump: 2.07575 Ang O(39) at 40.983 -12.002 24.753 in (null):K-9999 (5) and CB(43) at 40.2888 -13.8205 24.032 in (null):A-9999 (6) neighbor-bump: 2.40425 Ang C(40) at 41.402 -11.727 23.634 in (null):K-9999 (5) and CB(43) at 40.2888 -13.8205 24.032 in (null):A-9999 (6) other bump:2.6788 Ang CG(10) at 43.5112 -6.6725 21.6615 in (null):P-9999 (2) and CG(35) at 43.7195 -8.57022 23.5407 in (null):K-9999 (5) other bump:2.23716 Ang CD(11) at 42.5317 -6.82868 22.7916 in (null):P-9999 (2) and CG(35) at 43.7195 -8.57022 23.5407 in (null):K-9999 (5) other bump:2.87087 Ang CD(11) at 42.5317 -6.82868 22.7916 in (null):P-9999 (2) and CB(34) at 42.5285 -9.47054 23.9152 in (null):K-9999 (5) T0147_twice 137 :YEIDVKAVAEAAA 1pscA 143 :VEELTQFFLREIQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0147_twice 150 :KHQV 1pscA 160 :DTGI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 154 :ALEINNSS 1pscA 167 :IIKVATTG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.15832 Ang O(52) at 59.381 -5.737 23.707 in (null):S-9999 (7) and OG(57) at 61.186 -5.39622 24.8402 in (null):S-9999 (8) neighbor-bump: 2.76446 Ang C(53) at 58.648 -4.789 23.928 in (null):S-9999 (7) and OG(57) at 61.186 -5.39622 24.8402 in (null):S-9999 (8) neighbor-bump: 2.02026 Ang O(52) at 59.381 -5.737 23.707 in (null):S-9999 (7) and CB(56) at 61.1392 -4.75026 23.5788 in (null):S-9999 (8) neighbor-bump: 2.51588 Ang C(53) at 58.648 -4.789 23.928 in (null):S-9999 (7) and CB(56) at 61.1392 -4.75026 23.5788 in (null):S-9999 (8) neighbor-bump: 2.7433 Ang CG2(28) at 50.2917 -0.580561 18.8792 in (null):I-9999 (4) and N(32) at 50.082 -2.722 20.581 in (null):N-9999 (5) T0147_twice 164 :HSRKGSEDNCREVAAAVRDAGGWVAL 1pscA 175 :KATPFQELVLKAAARASLATGVPVTT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.1316 Ang CE3(167) at 42.5258 5.27137 22.8358 in (null):W-9999 (23) and CB(183) at 44.543 3.168 23.982 in (null):A-9999 (25) other bump:2.18696 Ang CZ3(170) at 42.6364 4.21288 23.7453 in (null):W-9999 (23) and CB(183) at 44.543 3.168 23.982 in (null):A-9999 (25) other bump:3.10672 Ang CH2(171) at 41.4908 3.62706 24.3359 in (null):W-9999 (23) and CB(183) at 44.543 3.168 23.982 in (null):A-9999 (25) neighbor-bump: 3.18682 Ang CE3(167) at 42.5258 5.27137 22.8358 in (null):W-9999 (23) and C(180) at 45.134 4.765 21.076 in (null):V-9999 (24) T0147_twice 194 :HTAFTMGEFEECLKILDAVDFPPERI 1pscA 201 :HTAASQRDGEQQAAIFESEGLSPSRV Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.87973 Ang CD2(103) at 53.6034 9.54899 21.1409 in (null):L-9999 (13) and CD1(209) at 50.859 9.16844 20.356 in (null):I-9999 (26) other bump:2.88011 Ang CD2(164) at 48.3002 9.5129 16.5648 in (null):F-9999 (21) and CG2(208) at 48.1963 8.20174 19.127 in (null):I-9999 (26) other bump:1.96449 Ang CE2(166) at 47.4738 9.2925 17.6616 in (null):F-9999 (21) and CG2(208) at 48.1963 8.20174 19.127 in (null):I-9999 (26) other bump:2.78286 Ang CZ(167) at 46.1395 9.08598 17.4741 in (null):F-9999 (21) and CG2(208) at 48.1963 8.20174 19.127 in (null):I-9999 (26) other bump:3.28765 Ang CE2(166) at 47.4738 9.2925 17.6616 in (null):F-9999 (21) and C(203) at 45.301 9.706 20.094 in (null):R-9999 (25) other bump:2.81981 Ang CZ(167) at 46.1395 9.08598 17.4741 in (null):F-9999 (21) and C(203) at 45.301 9.706 20.094 in (null):R-9999 (25) other bump:2.76173 Ang CZ(167) at 46.1395 9.08598 17.4741 in (null):F-9999 (21) and O(202) at 44.769 8.635 19.829 in (null):R-9999 (25) other bump:2.69305 Ang CE1(165) at 45.6201 9.13161 16.2079 in (null):F-9999 (21) and CB(195) at 44.499 10.724 18.068 in (null):R-9999 (25) other bump:2.39313 Ang CZ(167) at 46.1395 9.08598 17.4741 in (null):F-9999 (21) and CB(195) at 44.499 10.724 18.068 in (null):R-9999 (25) other bump:3.13011 Ang CZ(167) at 46.1395 9.08598 17.4741 in (null):F-9999 (21) and CA(194) at 44.742 10.964 19.552 in (null):R-9999 (25) neighbor-bump: 2.93166 Ang CE2(166) at 47.4738 9.2925 17.6616 in (null):F-9999 (21) and O(175) at 47.732 12.207 17.845 in (null):P-9999 (22) other bump:3.22809 Ang SG(95) at 52.8803 3.88015 19.8748 in (null):C-9999 (12) and CD2(128) at 51.611 6.307 18.166 in (null):L-9999 (16) other bump:2.11223 Ang CE1(30) at 53.5604 3.82398 29.7698 in (null):F-9999 (4) and CZ(71) at 52.9606 4.2139 27.7825 in (null):F-9999 (9) other bump:2.63821 Ang CZ(32) at 52.5411 2.92124 30.0437 in (null):F-9999 (4) and CZ(71) at 52.9606 4.2139 27.7825 in (null):F-9999 (9) other bump:2.14976 Ang CE1(30) at 53.5604 3.82398 29.7698 in (null):F-9999 (4) and CE2(70) at 53.6792 5.28657 28.1988 in (null):F-9999 (9) other bump:3.21734 Ang CE1(30) at 53.5604 3.82398 29.7698 in (null):F-9999 (4) and CE1(69) at 53.2245 3.63938 26.5754 in (null):F-9999 (9) other bump:2.91872 Ang CB(14) at 54.566 1.048 26.639 in (null):T-9999 (2) and CE1(69) at 53.2245 3.63938 26.5754 in (null):F-9999 (9) other bump:2.07936 Ang CG2(15) at 53.988 1.971 25.597 in (null):T-9999 (2) and CE1(69) at 53.2245 3.63938 26.5754 in (null):F-9999 (9) other bump:2.78858 Ang OG1(16) at 54.271 1.458 27.962 in (null):T-9999 (2) and CE1(69) at 53.2245 3.63938 26.5754 in (null):F-9999 (9) other bump:2.21802 Ang CG2(15) at 53.988 1.971 25.597 in (null):T-9999 (2) and CD1(67) at 54.2564 4.16695 25.7563 in (null):F-9999 (9) other bump:1.88859 Ang CB(21) at 58.101 -2.813 27.435 in (null):A-9999 (3) and OE2(60) at 57.8764 -2.64834 25.5671 in (null):E-9999 (8) other bump:2.70106 Ang C(18) at 54.86 -1.198 27.464 in (null):T-9999 (2) and OE1(59) at 56.0534 -1.47107 25.0563 in (null):E-9999 (8) other bump:2.24434 Ang N(19) at 56.166 -1.284 27.29 in (null):A-9999 (3) and OE1(59) at 56.0534 -1.47107 25.0563 in (null):E-9999 (8) other bump:2.58357 Ang CA(13) at 54.137 -0.392 26.412 in (null):T-9999 (2) and OE1(59) at 56.0534 -1.47107 25.0563 in (null):E-9999 (8) other bump:2.44061 Ang N(19) at 56.166 -1.284 27.29 in (null):A-9999 (3) and CD(58) at 57.2963 -1.61997 25.1531 in (null):E-9999 (8) other bump:3.06371 Ang CA(20) at 57.135 -1.886 28.201 in (null):A-9999 (3) and CD(58) at 57.2963 -1.61997 25.1531 in (null):E-9999 (8) other bump:2.69775 Ang CB(21) at 58.101 -2.813 27.435 in (null):A-9999 (3) and CD(58) at 57.2963 -1.61997 25.1531 in (null):E-9999 (8) other bump:3.09065 Ang OG1(16) at 54.271 1.458 27.962 in (null):T-9999 (2) and CE2(31) at 52.8285 1.72497 30.6823 in (null):F-9999 (4) T0147_twice 349 :VFAPHDKATNTQAMIATIASGNVHIISHPGNPKYEIDVKAVAEAA 1pscA 227 :CIGHSDDTDDLSYLTALAARGYLIGLDHIPHSAIGLEDNASASAL Fragment has 108 clashes (null) has 108 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.61335 Ang CE(239) at 53.0933 -10.8483 39.6418 in (null):K-9999 (33) and N(332) at 52.763 -8.708 38.179 in (null):G-9999 (46) other bump:2.29448 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and N(327) at 54.298 -10.71 36.68 in (null):A-9999 (45) other bump:2.19664 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and N(322) at 56.129 -11.539 38.475 in (null):A-9999 (44) other bump:2.3692 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and C(321) at 55.946 -10.576 39.413 in (null):E-9999 (43) other bump:2.66228 Ang CD(238) at 53.7845 -10.5697 40.9673 in (null):K-9999 (33) and C(321) at 55.946 -10.576 39.413 in (null):E-9999 (43) other bump:2.87482 Ang CE(239) at 53.0933 -10.8483 39.6418 in (null):K-9999 (33) and C(321) at 55.946 -10.576 39.413 in (null):E-9999 (43) other bump:2.51366 Ang C(271) at 54.061 -12.589 46.455 in (null):I-9999 (36) and OE2(319) at 54.7967 -11.2304 44.4722 in (null):E-9999 (43) other bump:2.7538 Ang CA(273) at 56.466 -12.371 46.342 in (null):D-9999 (37) and OE2(319) at 54.7967 -11.2304 44.4722 in (null):E-9999 (43) other bump:2.61018 Ang CB(236) at 53.6879 -9.2773 43.1423 in (null):K-9999 (33) and OE2(319) at 54.7967 -11.2304 44.4722 in (null):E-9999 (43) other bump:2.47886 Ang CB(236) at 53.6879 -9.2773 43.1423 in (null):K-9999 (33) and OE1(318) at 56.0905 -9.6982 43.584 in (null):E-9999 (43) other bump:3.08059 Ang CA(273) at 56.466 -12.371 46.342 in (null):D-9999 (37) and CD(317) at 55.7489 -10.887 43.7394 in (null):E-9999 (43) other bump:2.68248 Ang CB(236) at 53.6879 -9.2773 43.1423 in (null):K-9999 (33) and CD(317) at 55.7489 -10.887 43.7394 in (null):E-9999 (43) other bump:2.7494 Ang OD2(277) at 56.759 -9.56958 45.9311 in (null):D-9999 (37) and CD(317) at 55.7489 -10.887 43.7394 in (null):E-9999 (43) other bump:2.62909 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and CA(314) at 55.529 -11.114 40.769 in (null):E-9999 (43) other bump:3.1677 Ang CG(237) at 52.9125 -9.70107 41.8607 in (null):K-9999 (33) and CA(314) at 55.529 -11.114 40.769 in (null):E-9999 (43) other bump:1.83813 Ang CD(238) at 53.7845 -10.5697 40.9673 in (null):K-9999 (33) and CA(314) at 55.529 -11.114 40.769 in (null):E-9999 (43) other bump:2.69703 Ang CE(239) at 53.0933 -10.8483 39.6418 in (null):K-9999 (33) and CA(314) at 55.529 -11.114 40.769 in (null):E-9999 (43) other bump:2.08189 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and N(313) at 54.556 -12.185 40.661 in (null):E-9999 (43) other bump:1.81605 Ang CD(238) at 53.7845 -10.5697 40.9673 in (null):K-9999 (33) and N(313) at 54.556 -12.185 40.661 in (null):E-9999 (43) other bump:2.22827 Ang CE(239) at 53.0933 -10.8483 39.6418 in (null):K-9999 (33) and N(313) at 54.556 -12.185 40.661 in (null):E-9999 (43) other bump:1.56168 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and C(312) at 53.388 -11.896 40.176 in (null):A-9999 (42) other bump:2.80751 Ang CG(237) at 52.9125 -9.70107 41.8607 in (null):K-9999 (33) and C(312) at 53.388 -11.896 40.176 in (null):A-9999 (42) other bump:1.59445 Ang CD(238) at 53.7845 -10.5697 40.9673 in (null):K-9999 (33) and C(312) at 53.388 -11.896 40.176 in (null):A-9999 (42) other bump:1.21243 Ang CE(239) at 53.0933 -10.8483 39.6418 in (null):K-9999 (33) and C(312) at 53.388 -11.896 40.176 in (null):A-9999 (42) other bump:1.63843 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and O(311) at 53.124 -10.739 39.809 in (null):A-9999 (42) other bump:2.30902 Ang CG(237) at 52.9125 -9.70107 41.8607 in (null):K-9999 (33) and O(311) at 53.124 -10.739 39.809 in (null):A-9999 (42) other bump:1.34406 Ang CD(238) at 53.7845 -10.5697 40.9673 in (null):K-9999 (33) and O(311) at 53.124 -10.739 39.809 in (null):A-9999 (42) other bump:0.202077 Ang CE(239) at 53.0933 -10.8483 39.6418 in (null):K-9999 (33) and O(311) at 53.124 -10.739 39.809 in (null):A-9999 (42) other bump:2.49121 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and CA(309) at 52.449 -13.078 40.133 in (null):A-9999 (42) other bump:2.96158 Ang CD(238) at 53.7845 -10.5697 40.9673 in (null):K-9999 (33) and CA(309) at 52.449 -13.078 40.133 in (null):A-9999 (42) other bump:2.37235 Ang CE(239) at 53.0933 -10.8483 39.6418 in (null):K-9999 (33) and CA(309) at 52.449 -13.078 40.133 in (null):A-9999 (42) other bump:2.21422 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and O(306) at 53.542 -13.56 37.673 in (null):V-9999 (41) neighbor-bump: 2.22052 Ang O(253) at 52.199 -7.976 48.583 in (null):Y-9999 (34) and CB(257) at 52.2667 -8.98636 50.5592 in (null):E-9999 (35) neighbor-bump: 2.63164 Ang C(254) at 53.414 -7.939 48.435 in (null):Y-9999 (34) and CB(257) at 52.2667 -8.98636 50.5592 in (null):E-9999 (35) other bump:2.20103 Ang O(217) at 47.273 -3.767 42.332 in (null):G-9999 (30) and CD(231) at 49.4726 -3.83714 42.2961 in (null):P-9999 (32) other bump:2.44084 Ang C(218) at 47.375 -2.848 41.535 in (null):G-9999 (30) and CD(231) at 49.4726 -3.83714 42.2961 in (null):P-9999 (32) neighbor-bump: 2.4528 Ang N(219) at 48.178 -2.895 40.438 in (null):N-9999 (31) and CD(231) at 49.4726 -3.83714 42.2961 in (null):P-9999 (32) neighbor-bump: 2.20085 Ang CA(220) at 49.061 -4.054 40.145 in (null):N-9999 (31) and CD(231) at 49.4726 -3.83714 42.2961 in (null):P-9999 (32) neighbor-bump: 2.25219 Ang O(225) at 51.162 -3.161 40.969 in (null):N-9999 (31) and CD(231) at 49.4726 -3.83714 42.2961 in (null):P-9999 (32) neighbor-bump: 1.48434 Ang C(226) at 50.288 -4.049 41.074 in (null):N-9999 (31) and CD(231) at 49.4726 -3.83714 42.2961 in (null):P-9999 (32) neighbor-bump: 2.31465 Ang O(225) at 51.162 -3.161 40.969 in (null):N-9999 (31) and CG(230) at 50.3914 -3.00538 43.1461 in (null):P-9999 (32) neighbor-bump: 2.32235 Ang C(226) at 50.288 -4.049 41.074 in (null):N-9999 (31) and CG(230) at 50.3914 -3.00538 43.1461 in (null):P-9999 (32) other bump:2.71953 Ang C(197) at 46.82 0.942 35.035 in (null):S-9999 (27) and CD(212) at 46.6279 1.68906 37.6428 in (null):P-9999 (29) neighbor-bump: 2.38129 Ang N(198) at 47.933 0.926 35.803 in (null):H-9999 (28) and CD(212) at 46.6279 1.68906 37.6428 in (null):P-9999 (29) other bump:3.29969 Ang CA(193) at 46.477 2.216 34.389 in (null):S-9999 (27) and CD(212) at 46.6279 1.68906 37.6428 in (null):P-9999 (29) other bump:2.34692 Ang CE(55) at 52.2077 -2.14432 32.4591 in (null):K-9999 (7) and CE1(204) at 50.235 -3.097 33.301 in (null):H-9999 (28) other bump:2.33003 Ang CE(55) at 52.2077 -2.14432 32.4591 in (null):K-9999 (7) and ND1(203) at 50.674 -2.208 34.212 in (null):H-9999 (28) other bump:3.48212 Ang NZ(56) at 52.1167 -2.69154 31.0799 in (null):K-9999 (7) and ND1(203) at 50.674 -2.208 34.212 in (null):H-9999 (28) other bump:2.04318 Ang CG2(180) at 46.1649 4.41311 30.4908 in (null):I-9999 (25) and OG(195) at 45.7583 3.29429 32.1514 in (null):S-9999 (27) other bump:2.7431 Ang CB(44) at 51.651 3.989 36.604 in (null):D-9999 (6) and CG2(188) at 49.4393 5.61086 36.6553 in (null):I-9999 (26) other bump:3.08047 Ang CD2(170) at 51.363 8.79013 32.675 in (null):H-9999 (24) and CG1(187) at 49.8129 7.42613 34.9611 in (null):I-9999 (26) other bump:3.01566 Ang CB(4) at 46.0321 6.67031 25.5022 in (null):V-9999 (1) and CD1(181) at 46.001 6.79436 28.5152 in (null):I-9999 (25) other bump:1.65759 Ang CG1(5) at 46.3001 6.29665 26.9626 in (null):V-9999 (1) and CD1(181) at 46.001 6.79436 28.5152 in (null):I-9999 (25) other bump:1.75409 Ang CG1(5) at 46.3001 6.29665 26.9626 in (null):V-9999 (1) and CG1(179) at 46.9607 5.62361 28.4416 in (null):I-9999 (25) other bump:2.5946 Ang CB(34) at 52.2783 5.66547 31.4523 in (null):H-9999 (5) and NE2(173) at 52.2552 7.78253 32.9521 in (null):H-9999 (24) other bump:1.63751 Ang CG(35) at 53.0304 6.91884 31.7969 in (null):H-9999 (5) and NE2(173) at 52.2552 7.78253 32.9521 in (null):H-9999 (24) other bump:0.586642 Ang CD2(36) at 52.7832 7.88501 32.7179 in (null):H-9999 (5) and NE2(173) at 52.2552 7.78253 32.9521 in (null):H-9999 (24) other bump:2.78104 Ang CE1(38) at 54.6638 8.40367 31.7083 in (null):H-9999 (5) and NE2(173) at 52.2552 7.78253 32.9521 in (null):H-9999 (24) other bump:1.88323 Ang NE2(39) at 53.8135 8.79378 32.6429 in (null):H-9999 (5) and NE2(173) at 52.2552 7.78253 32.9521 in (null):H-9999 (24) other bump:1.85389 Ang CB(34) at 52.2783 5.66547 31.4523 in (null):H-9999 (5) and CE1(172) at 52.8344 7.39243 31.8335 in (null):H-9999 (24) other bump:0.51386 Ang CG(35) at 53.0304 6.91884 31.7969 in (null):H-9999 (5) and CE1(172) at 52.8344 7.39243 31.8335 in (null):H-9999 (24) other bump:1.01359 Ang CD2(36) at 52.7832 7.88501 32.7179 in (null):H-9999 (5) and CE1(172) at 52.8344 7.39243 31.8335 in (null):H-9999 (24) other bump:1.5321 Ang ND1(37) at 54.215 7.27565 31.1796 in (null):H-9999 (5) and CE1(172) at 52.8344 7.39243 31.8335 in (null):H-9999 (24) other bump:2.09405 Ang CE1(38) at 54.6638 8.40367 31.7083 in (null):H-9999 (5) and CE1(172) at 52.8344 7.39243 31.8335 in (null):H-9999 (24) other bump:1.89146 Ang NE2(39) at 53.8135 8.79378 32.6429 in (null):H-9999 (5) and CE1(172) at 52.8344 7.39243 31.8335 in (null):H-9999 (24) other bump:2.57429 Ang SD(104) at 55.294 8.04678 31.4475 in (null):M-9999 (14) and CE1(172) at 52.8344 7.39243 31.8335 in (null):H-9999 (24) other bump:2.50024 Ang CE(105) at 55.1038 6.42445 32.2385 in (null):M-9999 (14) and CE1(172) at 52.8344 7.39243 31.8335 in (null):H-9999 (24) other bump:2.52168 Ang CB(34) at 52.2783 5.66547 31.4523 in (null):H-9999 (5) and ND1(171) at 52.3484 8.11148 30.8432 in (null):H-9999 (24) other bump:1.67241 Ang CG(35) at 53.0304 6.91884 31.7969 in (null):H-9999 (5) and ND1(171) at 52.3484 8.11148 30.8432 in (null):H-9999 (24) other bump:1.93772 Ang CD2(36) at 52.7832 7.88501 32.7179 in (null):H-9999 (5) and ND1(171) at 52.3484 8.11148 30.8432 in (null):H-9999 (24) other bump:2.07264 Ang ND1(37) at 54.215 7.27565 31.1796 in (null):H-9999 (5) and ND1(171) at 52.3484 8.11148 30.8432 in (null):H-9999 (24) other bump:2.48891 Ang CE1(38) at 54.6638 8.40367 31.7083 in (null):H-9999 (5) and ND1(171) at 52.3484 8.11148 30.8432 in (null):H-9999 (24) other bump:2.41888 Ang NE2(39) at 53.8135 8.79378 32.6429 in (null):H-9999 (5) and ND1(171) at 52.3484 8.11148 30.8432 in (null):H-9999 (24) other bump:3.00762 Ang SD(104) at 55.294 8.04678 31.4475 in (null):M-9999 (14) and ND1(171) at 52.3484 8.11148 30.8432 in (null):H-9999 (24) other bump:2.65573 Ang CG(35) at 53.0304 6.91884 31.7969 in (null):H-9999 (5) and CD2(170) at 51.363 8.79013 32.675 in (null):H-9999 (24) other bump:1.68465 Ang CD2(36) at 52.7832 7.88501 32.7179 in (null):H-9999 (5) and CD2(170) at 51.363 8.79013 32.675 in (null):H-9999 (24) other bump:2.45072 Ang NE2(39) at 53.8135 8.79378 32.6429 in (null):H-9999 (5) and CD2(170) at 51.363 8.79013 32.675 in (null):H-9999 (24) other bump:2.67209 Ang CG(35) at 53.0304 6.91884 31.7969 in (null):H-9999 (5) and CG(169) at 51.4188 9.00073 31.3402 in (null):H-9999 (24) other bump:2.23705 Ang CD2(36) at 52.7832 7.88501 32.7179 in (null):H-9999 (5) and CG(169) at 51.4188 9.00073 31.3402 in (null):H-9999 (24) other bump:2.73396 Ang NE2(39) at 53.8135 8.79378 32.6429 in (null):H-9999 (5) and CG(169) at 51.4188 9.00073 31.3402 in (null):H-9999 (24) other bump:1.95059 Ang O(0) at 47.714 9.603 23.515 in (null):G-9999 (0) and CG1(162) at 46.7205 9.50239 25.1906 in (null):V-9999 (23) other bump:2.53691 Ang C(1) at 47.325 8.631 22.886 in (null):G-9999 (0) and CG1(162) at 46.7205 9.50239 25.1906 in (null):V-9999 (23) other bump:2.70745 Ang N(2) at 47.07 7.472 23.434 in (null):V-9999 (1) and CG1(162) at 46.7205 9.50239 25.1906 in (null):V-9999 (23) other bump:2.3431 Ang CA(3) at 47.295 7.255 24.86 in (null):V-9999 (1) and CG1(162) at 46.7205 9.50239 25.1906 in (null):V-9999 (23) other bump:2.93116 Ang CB(4) at 46.0321 6.67031 25.5022 in (null):V-9999 (1) and CG1(162) at 46.7205 9.50239 25.1906 in (null):V-9999 (23) other bump:2.53813 Ang CG2(6) at 44.9022 7.74839 25.4342 in (null):V-9999 (1) and CG1(162) at 46.7205 9.50239 25.1906 in (null):V-9999 (23) other bump:3.00529 Ang CG2(124) at 54.2925 10.6508 25.3671 in (null):T-9999 (17) and ND2(155) at 53.6264 12.0757 22.8063 in (null):N-9999 (22) other bump:2.18689 Ang O(40) at 54.504 4.882 33.668 in (null):H-9999 (5) and CE(105) at 55.1038 6.42445 32.2385 in (null):M-9999 (14) other bump:2.88537 Ang C(41) at 53.456 4.342 33.367 in (null):H-9999 (5) and CE(105) at 55.1038 6.42445 32.2385 in (null):M-9999 (14) other bump:2.17679 Ang CG(35) at 53.0304 6.91884 31.7969 in (null):H-9999 (5) and CE(105) at 55.1038 6.42445 32.2385 in (null):M-9999 (14) other bump:2.78356 Ang CD2(36) at 52.7832 7.88501 32.7179 in (null):H-9999 (5) and CE(105) at 55.1038 6.42445 32.2385 in (null):M-9999 (14) other bump:1.62344 Ang ND1(37) at 54.215 7.27565 31.1796 in (null):H-9999 (5) and CE(105) at 55.1038 6.42445 32.2385 in (null):M-9999 (14) other bump:2.0957 Ang CE1(38) at 54.6638 8.40367 31.7083 in (null):H-9999 (5) and CE(105) at 55.1038 6.42445 32.2385 in (null):M-9999 (14) other bump:2.72803 Ang NE2(39) at 53.8135 8.79378 32.6429 in (null):H-9999 (5) and CE(105) at 55.1038 6.42445 32.2385 in (null):M-9999 (14) other bump:2.55311 Ang CG(35) at 53.0304 6.91884 31.7969 in (null):H-9999 (5) and SD(104) at 55.294 8.04678 31.4475 in (null):M-9999 (14) other bump:2.81855 Ang CD2(36) at 52.7832 7.88501 32.7179 in (null):H-9999 (5) and SD(104) at 55.294 8.04678 31.4475 in (null):M-9999 (14) other bump:1.35302 Ang ND1(37) at 54.215 7.27565 31.1796 in (null):H-9999 (5) and SD(104) at 55.294 8.04678 31.4475 in (null):M-9999 (14) other bump:0.769786 Ang CE1(38) at 54.6638 8.40367 31.7083 in (null):H-9999 (5) and SD(104) at 55.294 8.04678 31.4475 in (null):M-9999 (14) other bump:2.04423 Ang NE2(39) at 53.8135 8.79378 32.6429 in (null):H-9999 (5) and SD(104) at 55.294 8.04678 31.4475 in (null):M-9999 (14) other bump:1.89692 Ang CE1(38) at 54.6638 8.40367 31.7083 in (null):H-9999 (5) and CG(103) at 56.1379 8.97697 32.7555 in (null):M-9999 (14) other bump:2.33436 Ang NE2(39) at 53.8135 8.79378 32.6429 in (null):H-9999 (5) and CG(103) at 56.1379 8.97697 32.7555 in (null):M-9999 (14) other bump:2.66667 Ang CE1(38) at 54.6638 8.40367 31.7083 in (null):H-9999 (5) and CB(102) at 56.2123 10.4554 32.418 in (null):M-9999 (14) other bump:2.66168 Ang CB(27) at 50.9599 -0.301086 31.2589 in (null):P-9999 (4) and NZ(56) at 52.1167 -2.69154 31.0799 in (null):K-9999 (7) other bump:2.52887 Ang CB(27) at 50.9599 -0.301086 31.2589 in (null):P-9999 (4) and CE(55) at 52.2077 -2.14432 32.4591 in (null):K-9999 (7) neighbor-bump: 2.44528 Ang CB(22) at 48.7718 1.6914 27.7464 in (null):A-9999 (3) and CD(29) at 50.4817 0.722803 29.2016 in (null):P-9999 (4) self-bump: 2.22021 Ang CA(26) at 51.068 1.097 31.31 in (null):P-9999 (4) and CD(29) at 50.4817 0.722803 29.2016 in (null):P-9999 (4) neighbor-bump: 2.00631 Ang O(23) at 51.744 2.207 28.723 in (null):A-9999 (3) and CD(29) at 50.4817 0.722803 29.2016 in (null):P-9999 (4) neighbor-bump: 1.55234 Ang C(24) at 50.618 2.269 29.18 in (null):A-9999 (3) and CD(29) at 50.4817 0.722803 29.2016 in (null):P-9999 (4) T0147_twice 410 :SRKGSEDNCREVAAAVRDAGG 1pscA 272 :LGIRSWQTRALLIKALIDQGY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 2.39969 Ang O(6) at 53.127 -5.276 39.454 in (null):S-9999 (1) and CG(11) at 54.8205 -3.98718 38.3451 in (null):R-9999 (2) neighbor-bump: 2.51501 Ang C(7) at 53.428 -6.485 39.278 in (null):S-9999 (1) and CB(10) at 54.9859 -4.56474 39.7373 in (null):R-9999 (2) neighbor-bump: 2.01035 Ang O(6) at 53.127 -5.276 39.454 in (null):S-9999 (1) and CB(10) at 54.9859 -4.56474 39.7373 in (null):R-9999 (2) T0147_twice 431 :WVALGSDSHTAFT 1pscA 295 :QILVSNDWLFGFS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.71922 Ang NE2(67) at 42.8978 -10.9383 34.9002 in (null):H-9999 (9) and CD2(87) at 44.968 -12.555 34.197 in (null):F-9999 (12) other bump:3.07927 Ang ND1(65) at 41.4816 -11.1101 33.2888 in (null):H-9999 (9) and CB(84) at 42.873 -13.834 33.644 in (null):F-9999 (12) other bump:2.17486 Ang CE1(66) at 42.4476 -11.7226 33.9459 in (null):H-9999 (9) and CB(84) at 42.873 -13.834 33.644 in (null):F-9999 (12) neighbor-bump: 2.48903 Ang CB(79) at 38.3847 -15.0548 33.7105 in (null):A-9999 (11) and N(82) at 40.731 -14.641 32.99 in (null):F-9999 (12) self-bump: 2.17292 Ang CB(79) at 38.3847 -15.0548 33.7105 in (null):A-9999 (11) and C(81) at 39.846 -13.641 32.944 in (null):A-9999 (11) other bump:2.16026 Ang ND1(65) at 41.4816 -11.1101 33.2888 in (null):H-9999 (9) and O(80) at 40.106 -12.556 32.462 in (null):A-9999 (11) self-bump: 1.2269 Ang CA(78) at 38.488 -13.839 33.582 in (null):A-9999 (11) and CB(79) at 38.3847 -15.0548 33.7105 in (null):A-9999 (11) T0147_twice 448 :EECLKILDAVDFPPERILNVSPRRLLNFLESRGMAP 1pscA 308 :SYVTNIMDVMDRVNPDGMAFIPLRVIPFLREKGVPQ Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.98189 Ang NH2(129) at 41.6964 0.497782 46.5789 in (null):R-9999 (16) and NE(192) at 42.319 0.609 49.493 in (null):R-9999 (24) other bump:2.29015 Ang NE(126) at 39.7748 -0.517898 47.1292 in (null):R-9999 (16) and CD(191) at 41.443 0.486 48.335 in (null):R-9999 (24) other bump:1.89761 Ang CZ(127) at 40.3843 0.59708 46.7641 in (null):R-9999 (16) and CD(191) at 41.443 0.486 48.335 in (null):R-9999 (24) other bump:1.77428 Ang NH2(129) at 41.6964 0.497782 46.5789 in (null):R-9999 (16) and CD(191) at 41.443 0.486 48.335 in (null):R-9999 (24) other bump:2.67854 Ang NE(126) at 39.7748 -0.517898 47.1292 in (null):R-9999 (16) and CG(190) at 40.89 1.812 47.838 in (null):R-9999 (24) other bump:1.69854 Ang CZ(127) at 40.3843 0.59708 46.7641 in (null):R-9999 (16) and CG(190) at 40.89 1.812 47.838 in (null):R-9999 (24) other bump:1.99065 Ang NH2(129) at 41.6964 0.497782 46.5789 in (null):R-9999 (16) and CG(190) at 40.89 1.812 47.838 in (null):R-9999 (24) other bump:2.60107 Ang CZ(127) at 40.3843 0.59708 46.7641 in (null):R-9999 (16) and CB(189) at 41.851 2.725 47.058 in (null):R-9999 (24) other bump:2.26515 Ang NH1(128) at 39.8433 1.80172 46.5602 in (null):R-9999 (16) and CB(189) at 41.851 2.725 47.058 in (null):R-9999 (24) other bump:2.28339 Ang NH2(129) at 41.6964 0.497782 46.5789 in (null):R-9999 (16) and CB(189) at 41.851 2.725 47.058 in (null):R-9999 (24) other bump:2.64865 Ang NH1(128) at 39.8433 1.80172 46.5602 in (null):R-9999 (16) and CA(188) at 41.135 4.082 46.944 in (null):R-9999 (24) other bump:2.11671 Ang NH1(128) at 39.8433 1.80172 46.5602 in (null):R-9999 (16) and N(187) at 39.814 3.905 46.324 in (null):R-9999 (24) other bump:2.707 Ang NH1(128) at 39.8433 1.80172 46.5602 in (null):R-9999 (16) and C(186) at 38.729 4.231 46.99 in (null):R-9999 (23) other bump:2.3748 Ang CB(123) at 38.3089 -2.49625 45.4681 in (null):R-9999 (16) and NH1(183) at 36.4283 -2.07113 46.8546 in (null):R-9999 (23) other bump:1.75434 Ang CG(124) at 38.1558 -2.34823 46.9837 in (null):R-9999 (16) and NH1(183) at 36.4283 -2.07113 46.8546 in (null):R-9999 (23) other bump:2.39011 Ang CD(125) at 38.4407 -0.921761 47.4393 in (null):R-9999 (16) and NH1(183) at 36.4283 -2.07113 46.8546 in (null):R-9999 (23) other bump:2.5969 Ang CG(124) at 38.1558 -2.34823 46.9837 in (null):R-9999 (16) and CZ(182) at 35.9549 -1.19794 47.743 in (null):R-9999 (23) other bump:2.5195 Ang CD(125) at 38.4407 -0.921761 47.4393 in (null):R-9999 (16) and CZ(182) at 35.9549 -1.19794 47.743 in (null):R-9999 (23) neighbor-bump: 2.3449 Ang CG2(136) at 38.3646 -5.1952 39.0317 in (null):I-9999 (17) and N(140) at 37.547 -3.146 39.826 in (null):L-9999 (18) self-bump: 1.338 Ang CA(133) at 38.464 -4.771 41.368 in (null):I-9999 (17) and CB(134) at 38.0659 -5.64931 40.4405 in (null):I-9999 (17) other bump:2.01014 Ang O(96) at 43.865 -9.435 47.761 in (null):F-9999 (12) and OE2(118) at 42.1244 -9.25976 48.751 in (null):E-9999 (15) other bump:2.61751 Ang O(77) at 43.428 -9.491 43.057 in (null):V-9999 (10) and CD(109) at 44.3008 -7.0867 43.6128 in (null):P-9999 (14) self-bump: 2.25621 Ang CA(106) at 42.619 -6.157 44.795 in (null):P-9999 (14) and CD(109) at 44.3008 -7.0867 43.6128 in (null):P-9999 (14) neighbor-bump: 2.79215 Ang CB(100) at 46.3592 -8.71825 44.5599 in (null):P-9999 (13) and CD(109) at 44.3008 -7.0867 43.6128 in (null):P-9999 (14) self-bump: 2.13464 Ang CA(106) at 42.619 -6.157 44.795 in (null):P-9999 (14) and CG(108) at 43.8464 -5.74021 43.099 in (null):P-9999 (14) neighbor-bump: 2.66069 Ang N(87) at 42.637 -11.519 45.231 in (null):F-9999 (12) and CD(102) at 45.1505 -10.7502 44.818 in (null):P-9999 (13) other bump:3.26099 Ang CA(73) at 44.552 -11.056 41.627 in (null):V-9999 (10) and CD(102) at 45.1505 -10.7502 44.818 in (null):P-9999 (13) other bump:2.9295 Ang C(78) at 43.405 -10.586 42.471 in (null):V-9999 (10) and CD(102) at 45.1505 -10.7502 44.818 in (null):P-9999 (13) other bump:1.62421 Ang O(70) at 45.599 -12.004 43.888 in (null):A-9999 (9) and CD(102) at 45.1505 -10.7502 44.818 in (null):P-9999 (13) other bump:2.7656 Ang C(71) at 45.352 -12.835 43.012 in (null):A-9999 (9) and CD(102) at 45.1505 -10.7502 44.818 in (null):P-9999 (13) other bump:2.0958 Ang O(70) at 45.599 -12.004 43.888 in (null):A-9999 (9) and CG(101) at 46.5154 -10.2031 44.444 in (null):P-9999 (13) other bump:3.21423 Ang C(71) at 45.352 -12.835 43.012 in (null):A-9999 (9) and CG(101) at 46.5154 -10.2031 44.444 in (null):P-9999 (13) other bump:3.19336 Ang CD(15) at 47.2486 -13.4867 34.0873 in (null):E-9999 (2) and CG2(47) at 45.681 -15.592 35.906 in (null):I-9999 (6) other bump:2.69352 Ang OE1(16) at 47.6596 -13.9068 35.1989 in (null):E-9999 (2) and CG2(47) at 45.681 -15.592 35.906 in (null):I-9999 (6) other bump:2.24279 Ang OE1(16) at 47.6596 -13.9068 35.1989 in (null):E-9999 (2) and CG1(46) at 47.429 -14.487 37.353 in (null):I-9999 (6) other bump:2.81427 Ang OE1(16) at 47.6596 -13.9068 35.1989 in (null):E-9999 (2) and CB(45) at 46.702 -15.793 37.055 in (null):I-9999 (6) neighbor-bump: 2.47833 Ang CB(28) at 44.8209 -21.5574 35.4073 in (null):L-9999 (4) and N(34) at 44.675 -20.163 37.451 in (null):K-9999 (5) self-bump: 2.21658 Ang CB(28) at 44.8209 -21.5574 35.4073 in (null):L-9999 (4) and C(33) at 45.837 -20.635 37.148 in (null):L-9999 (4) self-bump: 1.28397 Ang CA(27) at 46.003 -21.169 35.724 in (null):L-9999 (4) and CB(28) at 44.8209 -21.5574 35.4073 in (null):L-9999 (4) T0147_twice 485 :AEF 1pscA 360 :PTL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 14 total=306 Number of alignments=21 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1pscA/T0147_twice-1pscA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1pscA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1pscA/T0147_twice-1pscA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1pscA in template set T0147_twice 44 :MEDAPHHWHFINMRIWPRVVDGVGILRGI 1pscA 73 :FGSRKALAEKAVRGLRRARAAGVRTIVDV Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.4085 Ang C(168) at 31.113 1.202 40.046 in (null):R-9999 (18) and OD2(188) at 32.4751 2.94156 41.0048 in (null):D-9999 (21) other bump:1.442 Ang O(167) at 31.346 2.451 40.254 in (null):R-9999 (18) and OD2(188) at 32.4751 2.94156 41.0048 in (null):D-9999 (21) other bump:3.23574 Ang C(168) at 31.113 1.202 40.046 in (null):R-9999 (18) and CG(186) at 33.1233 2.75098 42.0533 in (null):D-9999 (21) other bump:2.54684 Ang O(167) at 31.346 2.451 40.254 in (null):R-9999 (18) and CG(186) at 33.1233 2.75098 42.0533 in (null):D-9999 (21) other bump:3.11847 Ang CG(105) at 25.5183 -7.73122 36.6498 in (null):N-9999 (12) and CH2(148) at 23.1319 -7.77221 38.6568 in (null):W-9999 (16) other bump:2.07558 Ang OD1(107) at 24.9891 -7.93758 37.7451 in (null):N-9999 (12) and CH2(148) at 23.1319 -7.77221 38.6568 in (null):W-9999 (16) other bump:2.53972 Ang OD1(107) at 24.9891 -7.93758 37.7451 in (null):N-9999 (12) and CZ3(147) at 23.726 -7.58909 39.9207 in (null):W-9999 (16) other bump:2.48227 Ang CG(105) at 25.5183 -7.73122 36.6498 in (null):N-9999 (12) and CZ2(146) at 23.383 -6.91342 37.6159 in (null):W-9999 (16) other bump:2.51 Ang ND2(106) at 25.1228 -6.77233 35.8122 in (null):N-9999 (12) and CZ2(146) at 23.383 -6.91342 37.6159 in (null):W-9999 (16) other bump:1.90923 Ang OD1(107) at 24.9891 -7.93758 37.7451 in (null):N-9999 (12) and CZ2(146) at 23.383 -6.91342 37.6159 in (null):W-9999 (16) other bump:3.02629 Ang CG(105) at 25.5183 -7.73122 36.6498 in (null):N-9999 (12) and NE1(145) at 24.683 -4.84579 37.0171 in (null):W-9999 (16) other bump:2.31447 Ang ND2(106) at 25.1228 -6.77233 35.8122 in (null):N-9999 (12) and NE1(145) at 24.683 -4.84579 37.0171 in (null):W-9999 (16) other bump:2.82331 Ang OD1(107) at 24.9891 -7.93758 37.7451 in (null):N-9999 (12) and CE3(144) at 24.5953 -6.52397 40.1571 in (null):W-9999 (16) other bump:2.56979 Ang CG(105) at 25.5183 -7.73122 36.6498 in (null):N-9999 (12) and CE2(143) at 24.257 -5.84307 37.853 in (null):W-9999 (16) other bump:2.40377 Ang ND2(106) at 25.1228 -6.77233 35.8122 in (null):N-9999 (12) and CE2(143) at 24.257 -5.84307 37.853 in (null):W-9999 (16) other bump:2.22141 Ang OD1(107) at 24.9891 -7.93758 37.7451 in (null):N-9999 (12) and CE2(143) at 24.257 -5.84307 37.853 in (null):W-9999 (16) other bump:2.6829 Ang OD1(107) at 24.9891 -7.93758 37.7451 in (null):N-9999 (12) and CD2(142) at 24.87 -5.63152 39.1111 in (null):W-9999 (16) other bump:2.92102 Ang CD1(87) at 34.4614 -11.7869 38.1881 in (null):F-9999 (10) and CD(122) at 34.71 -8.90521 38.5959 in (null):R-9999 (14) other bump:2.52001 Ang CD(36) at 24.31 -18.639 34.87 in (null):P-9999 (5) and NE2(80) at 24.6278 -16.2974 35.7454 in (null):H-9999 (9) other bump:2.56504 Ang O(37) at 27.862 -16.12 34.663 in (null):P-9999 (5) and CD2(77) at 25.8817 -16.1751 36.2923 in (null):H-9999 (9) other bump:2.3284 Ang OD1(23) at 29.5485 -20.225 34.6801 in (null):D-9999 (3) and CB(41) at 30.4531 -18.884 36.3548 in (null):H-9999 (6) other bump:2.80585 Ang OD1(23) at 29.5485 -20.225 34.6801 in (null):D-9999 (3) and CA(40) at 29.542 -17.693 35.889 in (null):H-9999 (6) other bump:2.22939 Ang OD1(23) at 29.5485 -20.225 34.6801 in (null):D-9999 (3) and N(39) at 28.83 -18.115 34.721 in (null):H-9999 (6) T0147_twice 106 :APHDKATNTQAMIATIASGNVHIISHPGNPK 1pscA 102 :STFDIGRDVSLLAEVSRAADVHIVAATGLWF Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.47627 Ang CG(27) at 45.753 -10.275 19.481 in (null):D-9999 (4) and CD(213) at 45.7983 -7.80739 19.2791 in (null):P-9999 (30) other bump:1.58504 Ang OD1(28) at 45.015 -9.185 19.311 in (null):D-9999 (4) and CD(213) at 45.7983 -7.80739 19.2791 in (null):P-9999 (30) neighbor-bump: 2.35696 Ang CA(202) at 45.85 -6.182 17.573 in (null):N-9999 (29) and CD(213) at 45.7983 -7.80739 19.2791 in (null):P-9999 (30) other bump:2.75797 Ang OD2(29) at 46.917 -10.259 19.866 in (null):D-9999 (4) and CD(213) at 45.7983 -7.80739 19.2791 in (null):P-9999 (30) self-bump: 1.36622 Ang N(209) at 46.931 -7.065 19.459 in (null):P-9999 (30) and CD(213) at 45.7983 -7.80739 19.2791 in (null):P-9999 (30) other bump:2.8309 Ang CG(10) at 43.5112 -6.6725 21.6615 in (null):P-9999 (2) and CG(212) at 45.5815 -8.34592 20.6983 in (null):P-9999 (30) other bump:2.28749 Ang CG(27) at 45.753 -10.275 19.481 in (null):D-9999 (4) and CG(212) at 45.5815 -8.34592 20.6983 in (null):P-9999 (30) other bump:1.71744 Ang OD1(28) at 45.015 -9.185 19.311 in (null):D-9999 (4) and CG(212) at 45.5815 -8.34592 20.6983 in (null):P-9999 (30) other bump:2.47714 Ang OD2(29) at 46.917 -10.259 19.866 in (null):D-9999 (4) and CG(212) at 45.5815 -8.34592 20.6983 in (null):P-9999 (30) other bump:2.80653 Ang CG(27) at 45.753 -10.275 19.481 in (null):D-9999 (4) and CB(211) at 46.9807 -8.49041 21.2656 in (null):P-9999 (30) other bump:2.25627 Ang OD2(29) at 46.917 -10.259 19.866 in (null):D-9999 (4) and CB(211) at 46.9807 -8.49041 21.2656 in (null):P-9999 (30) neighbor-bump: 2.10579 Ang C(189) at 38.339 -2.833 19.484 in (null):H-9999 (26) and CD(194) at 38.3013 -1.05358 18.3586 in (null):P-9999 (27) other bump:2.41451 Ang CG1(113) at 28.626 -3.47924 28.2642 in (null):I-9999 (16) and CD1(163) at 30.789 -3.858 29.268 in (null):I-9999 (23) other bump:2.84363 Ang CE(87) at 33.54 -4.43772 25.374 in (null):M-9999 (12) and CG2(162) at 32.475 -2.564 27.229 in (null):I-9999 (23) other bump:3.04069 Ang CD1(115) at 29.0598 -3.19891 26.8307 in (null):I-9999 (16) and CG1(161) at 30.867 -2.334 29.118 in (null):I-9999 (23) other bump:2.6576 Ang CG1(113) at 28.626 -3.47924 28.2642 in (null):I-9999 (16) and CG1(161) at 30.867 -2.334 29.118 in (null):I-9999 (23) other bump:2.58802 Ang CD1(115) at 29.0598 -3.19891 26.8307 in (null):I-9999 (16) and CB(160) at 31.141 -1.913 27.675 in (null):I-9999 (23) other bump:3.02086 Ang CG1(113) at 28.626 -3.47924 28.2642 in (null):I-9999 (16) and CB(160) at 31.141 -1.913 27.675 in (null):I-9999 (23) other bump:2.63692 Ang CG2(114) at 26.6625 -1.86043 28.3781 in (null):I-9999 (16) and O(146) at 27.632 -0.507 30.423 in (null):V-9999 (21) other bump:2.58325 Ang CB(4) at 39.405 -7.464 24.941 in (null):A-9999 (1) and OG1(50) at 38.5045 -8.05552 22.5931 in (null):T-9999 (7) other bump:2.2031 Ang O(5) at 39.148 -5.962 22.355 in (null):A-9999 (1) and OG1(50) at 38.5045 -8.05552 22.5931 in (null):T-9999 (7) other bump:2.38959 Ang C(6) at 40.187 -6.377 22.842 in (null):A-9999 (1) and OG1(50) at 38.5045 -8.05552 22.5931 in (null):T-9999 (7) neighbor-bump: 2.07575 Ang O(39) at 40.983 -12.002 24.753 in (null):K-9999 (5) and CB(43) at 40.2888 -13.8205 24.032 in (null):A-9999 (6) neighbor-bump: 2.40425 Ang C(40) at 41.402 -11.727 23.634 in (null):K-9999 (5) and CB(43) at 40.2888 -13.8205 24.032 in (null):A-9999 (6) other bump:2.6788 Ang CG(10) at 43.5112 -6.6725 21.6615 in (null):P-9999 (2) and CG(35) at 43.7195 -8.57022 23.5407 in (null):K-9999 (5) other bump:2.23716 Ang CD(11) at 42.5317 -6.82868 22.7916 in (null):P-9999 (2) and CG(35) at 43.7195 -8.57022 23.5407 in (null):K-9999 (5) other bump:2.87087 Ang CD(11) at 42.5317 -6.82868 22.7916 in (null):P-9999 (2) and CB(34) at 42.5285 -9.47054 23.9152 in (null):K-9999 (5) T0147_twice 137 :YEIDVKAVAEAAAK 1pscA 143 :VEELTQFFLREIQY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0147_twice 151 :HQVALEINNSS 1pscA 164 :RAGIIKVATTG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.15832 Ang O(78) at 59.381 -5.737 23.707 in (null):S-9999 (10) and OG(83) at 61.186 -5.39622 24.8402 in (null):S-9999 (11) neighbor-bump: 2.76446 Ang C(79) at 58.648 -4.789 23.928 in (null):S-9999 (10) and OG(83) at 61.186 -5.39622 24.8402 in (null):S-9999 (11) neighbor-bump: 2.02026 Ang O(78) at 59.381 -5.737 23.707 in (null):S-9999 (10) and CB(82) at 61.1392 -4.75026 23.5788 in (null):S-9999 (11) neighbor-bump: 2.51588 Ang C(79) at 58.648 -4.789 23.928 in (null):S-9999 (10) and CB(82) at 61.1392 -4.75026 23.5788 in (null):S-9999 (11) neighbor-bump: 2.7433 Ang CG2(54) at 50.2917 -0.580561 18.8792 in (null):I-9999 (7) and N(58) at 50.082 -2.722 20.581 in (null):N-9999 (8) other bump:2.47516 Ang CD(16) at 38.4388 -1.01578 17.6028 in (null):Q-9999 (2) and O(31) at 39.474 0.602 19.164 in (null):A-9999 (4) T0147_twice 164 :HSRKGSEDNCREVAAAVRDAGGWVAL 1pscA 175 :KATPFQELVLKAAARASLATGVPVTT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.1316 Ang CE3(167) at 42.5258 5.27137 22.8358 in (null):W-9999 (23) and CB(183) at 44.543 3.168 23.982 in (null):A-9999 (25) other bump:2.18696 Ang CZ3(170) at 42.6364 4.21288 23.7453 in (null):W-9999 (23) and CB(183) at 44.543 3.168 23.982 in (null):A-9999 (25) other bump:3.10672 Ang CH2(171) at 41.4908 3.62706 24.3359 in (null):W-9999 (23) and CB(183) at 44.543 3.168 23.982 in (null):A-9999 (25) neighbor-bump: 3.18682 Ang CE3(167) at 42.5258 5.27137 22.8358 in (null):W-9999 (23) and C(180) at 45.134 4.765 21.076 in (null):V-9999 (24) T0147_twice 194 :HTAFTMGEFEECLKILDAVDFPPERI 1pscA 201 :HTAASQRDGEQQAAIFESEGLSPSRV Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.87973 Ang CD2(103) at 53.6034 9.54899 21.1409 in (null):L-9999 (13) and CD1(209) at 50.859 9.16844 20.356 in (null):I-9999 (26) other bump:2.88011 Ang CD2(164) at 48.3002 9.5129 16.5648 in (null):F-9999 (21) and CG2(208) at 48.1963 8.20174 19.127 in (null):I-9999 (26) other bump:1.96449 Ang CE2(166) at 47.4738 9.2925 17.6616 in (null):F-9999 (21) and CG2(208) at 48.1963 8.20174 19.127 in (null):I-9999 (26) other bump:2.78286 Ang CZ(167) at 46.1395 9.08598 17.4741 in (null):F-9999 (21) and CG2(208) at 48.1963 8.20174 19.127 in (null):I-9999 (26) other bump:3.28765 Ang CE2(166) at 47.4738 9.2925 17.6616 in (null):F-9999 (21) and C(203) at 45.301 9.706 20.094 in (null):R-9999 (25) other bump:2.81981 Ang CZ(167) at 46.1395 9.08598 17.4741 in (null):F-9999 (21) and C(203) at 45.301 9.706 20.094 in (null):R-9999 (25) other bump:2.76173 Ang CZ(167) at 46.1395 9.08598 17.4741 in (null):F-9999 (21) and O(202) at 44.769 8.635 19.829 in (null):R-9999 (25) other bump:2.69305 Ang CE1(165) at 45.6201 9.13161 16.2079 in (null):F-9999 (21) and CB(195) at 44.499 10.724 18.068 in (null):R-9999 (25) other bump:2.39313 Ang CZ(167) at 46.1395 9.08598 17.4741 in (null):F-9999 (21) and CB(195) at 44.499 10.724 18.068 in (null):R-9999 (25) other bump:3.13011 Ang CZ(167) at 46.1395 9.08598 17.4741 in (null):F-9999 (21) and CA(194) at 44.742 10.964 19.552 in (null):R-9999 (25) neighbor-bump: 2.93166 Ang CE2(166) at 47.4738 9.2925 17.6616 in (null):F-9999 (21) and O(175) at 47.732 12.207 17.845 in (null):P-9999 (22) other bump:3.22809 Ang SG(95) at 52.8803 3.88015 19.8748 in (null):C-9999 (12) and CD2(128) at 51.611 6.307 18.166 in (null):L-9999 (16) other bump:2.11223 Ang CE1(30) at 53.5604 3.82398 29.7698 in (null):F-9999 (4) and CZ(71) at 52.9606 4.2139 27.7825 in (null):F-9999 (9) other bump:2.63821 Ang CZ(32) at 52.5411 2.92124 30.0437 in (null):F-9999 (4) and CZ(71) at 52.9606 4.2139 27.7825 in (null):F-9999 (9) other bump:2.14976 Ang CE1(30) at 53.5604 3.82398 29.7698 in (null):F-9999 (4) and CE2(70) at 53.6792 5.28657 28.1988 in (null):F-9999 (9) other bump:3.21734 Ang CE1(30) at 53.5604 3.82398 29.7698 in (null):F-9999 (4) and CE1(69) at 53.2245 3.63938 26.5754 in (null):F-9999 (9) other bump:2.91872 Ang CB(14) at 54.566 1.048 26.639 in (null):T-9999 (2) and CE1(69) at 53.2245 3.63938 26.5754 in (null):F-9999 (9) other bump:2.07936 Ang CG2(15) at 53.988 1.971 25.597 in (null):T-9999 (2) and CE1(69) at 53.2245 3.63938 26.5754 in (null):F-9999 (9) other bump:2.78858 Ang OG1(16) at 54.271 1.458 27.962 in (null):T-9999 (2) and CE1(69) at 53.2245 3.63938 26.5754 in (null):F-9999 (9) other bump:2.21802 Ang CG2(15) at 53.988 1.971 25.597 in (null):T-9999 (2) and CD1(67) at 54.2564 4.16695 25.7563 in (null):F-9999 (9) other bump:1.88859 Ang CB(21) at 58.101 -2.813 27.435 in (null):A-9999 (3) and OE2(60) at 57.8764 -2.64834 25.5671 in (null):E-9999 (8) other bump:2.70106 Ang C(18) at 54.86 -1.198 27.464 in (null):T-9999 (2) and OE1(59) at 56.0534 -1.47107 25.0563 in (null):E-9999 (8) other bump:2.24434 Ang N(19) at 56.166 -1.284 27.29 in (null):A-9999 (3) and OE1(59) at 56.0534 -1.47107 25.0563 in (null):E-9999 (8) other bump:2.58357 Ang CA(13) at 54.137 -0.392 26.412 in (null):T-9999 (2) and OE1(59) at 56.0534 -1.47107 25.0563 in (null):E-9999 (8) other bump:2.44061 Ang N(19) at 56.166 -1.284 27.29 in (null):A-9999 (3) and CD(58) at 57.2963 -1.61997 25.1531 in (null):E-9999 (8) other bump:3.06371 Ang CA(20) at 57.135 -1.886 28.201 in (null):A-9999 (3) and CD(58) at 57.2963 -1.61997 25.1531 in (null):E-9999 (8) other bump:2.69775 Ang CB(21) at 58.101 -2.813 27.435 in (null):A-9999 (3) and CD(58) at 57.2963 -1.61997 25.1531 in (null):E-9999 (8) other bump:3.09065 Ang OG1(16) at 54.271 1.458 27.962 in (null):T-9999 (2) and CE2(31) at 52.8285 1.72497 30.6823 in (null):F-9999 (4) T0147_twice 349 :VFAPHDKATNTQAMIATIASGNVHIISHPGNPKYEIDVKAVAEAA 1pscA 227 :CIGHSDDTDDLSYLTALAARGYLIGLDHIPHSAIGLEDNASASAL Fragment has 108 clashes (null) has 108 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.61335 Ang CE(239) at 53.0933 -10.8483 39.6418 in (null):K-9999 (33) and N(332) at 52.763 -8.708 38.179 in (null):G-9999 (46) other bump:2.29448 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and N(327) at 54.298 -10.71 36.68 in (null):A-9999 (45) other bump:2.19664 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and N(322) at 56.129 -11.539 38.475 in (null):A-9999 (44) other bump:2.3692 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and C(321) at 55.946 -10.576 39.413 in (null):E-9999 (43) other bump:2.66228 Ang CD(238) at 53.7845 -10.5697 40.9673 in (null):K-9999 (33) and C(321) at 55.946 -10.576 39.413 in (null):E-9999 (43) other bump:2.87482 Ang CE(239) at 53.0933 -10.8483 39.6418 in (null):K-9999 (33) and C(321) at 55.946 -10.576 39.413 in (null):E-9999 (43) other bump:2.51366 Ang C(271) at 54.061 -12.589 46.455 in (null):I-9999 (36) and OE2(319) at 54.7967 -11.2304 44.4722 in (null):E-9999 (43) other bump:2.7538 Ang CA(273) at 56.466 -12.371 46.342 in (null):D-9999 (37) and OE2(319) at 54.7967 -11.2304 44.4722 in (null):E-9999 (43) other bump:2.61018 Ang CB(236) at 53.6879 -9.2773 43.1423 in (null):K-9999 (33) and OE2(319) at 54.7967 -11.2304 44.4722 in (null):E-9999 (43) other bump:2.47886 Ang CB(236) at 53.6879 -9.2773 43.1423 in (null):K-9999 (33) and OE1(318) at 56.0905 -9.6982 43.584 in (null):E-9999 (43) other bump:3.08059 Ang CA(273) at 56.466 -12.371 46.342 in (null):D-9999 (37) and CD(317) at 55.7489 -10.887 43.7394 in (null):E-9999 (43) other bump:2.68248 Ang CB(236) at 53.6879 -9.2773 43.1423 in (null):K-9999 (33) and CD(317) at 55.7489 -10.887 43.7394 in (null):E-9999 (43) other bump:2.7494 Ang OD2(277) at 56.759 -9.56958 45.9311 in (null):D-9999 (37) and CD(317) at 55.7489 -10.887 43.7394 in (null):E-9999 (43) other bump:2.62909 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and CA(314) at 55.529 -11.114 40.769 in (null):E-9999 (43) other bump:3.1677 Ang CG(237) at 52.9125 -9.70107 41.8607 in (null):K-9999 (33) and CA(314) at 55.529 -11.114 40.769 in (null):E-9999 (43) other bump:1.83813 Ang CD(238) at 53.7845 -10.5697 40.9673 in (null):K-9999 (33) and CA(314) at 55.529 -11.114 40.769 in (null):E-9999 (43) other bump:2.69703 Ang CE(239) at 53.0933 -10.8483 39.6418 in (null):K-9999 (33) and CA(314) at 55.529 -11.114 40.769 in (null):E-9999 (43) other bump:2.08189 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and N(313) at 54.556 -12.185 40.661 in (null):E-9999 (43) other bump:1.81605 Ang CD(238) at 53.7845 -10.5697 40.9673 in (null):K-9999 (33) and N(313) at 54.556 -12.185 40.661 in (null):E-9999 (43) other bump:2.22827 Ang CE(239) at 53.0933 -10.8483 39.6418 in (null):K-9999 (33) and N(313) at 54.556 -12.185 40.661 in (null):E-9999 (43) other bump:1.56168 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and C(312) at 53.388 -11.896 40.176 in (null):A-9999 (42) other bump:2.80751 Ang CG(237) at 52.9125 -9.70107 41.8607 in (null):K-9999 (33) and C(312) at 53.388 -11.896 40.176 in (null):A-9999 (42) other bump:1.59445 Ang CD(238) at 53.7845 -10.5697 40.9673 in (null):K-9999 (33) and C(312) at 53.388 -11.896 40.176 in (null):A-9999 (42) other bump:1.21243 Ang CE(239) at 53.0933 -10.8483 39.6418 in (null):K-9999 (33) and C(312) at 53.388 -11.896 40.176 in (null):A-9999 (42) other bump:1.63843 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and O(311) at 53.124 -10.739 39.809 in (null):A-9999 (42) other bump:2.30902 Ang CG(237) at 52.9125 -9.70107 41.8607 in (null):K-9999 (33) and O(311) at 53.124 -10.739 39.809 in (null):A-9999 (42) other bump:1.34406 Ang CD(238) at 53.7845 -10.5697 40.9673 in (null):K-9999 (33) and O(311) at 53.124 -10.739 39.809 in (null):A-9999 (42) other bump:0.202077 Ang CE(239) at 53.0933 -10.8483 39.6418 in (null):K-9999 (33) and O(311) at 53.124 -10.739 39.809 in (null):A-9999 (42) other bump:2.49121 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and CA(309) at 52.449 -13.078 40.133 in (null):A-9999 (42) other bump:2.96158 Ang CD(238) at 53.7845 -10.5697 40.9673 in (null):K-9999 (33) and CA(309) at 52.449 -13.078 40.133 in (null):A-9999 (42) other bump:2.37235 Ang CE(239) at 53.0933 -10.8483 39.6418 in (null):K-9999 (33) and CA(309) at 52.449 -13.078 40.133 in (null):A-9999 (42) other bump:2.21422 Ang NZ(240) at 53.9517 -11.6627 38.7384 in (null):K-9999 (33) and O(306) at 53.542 -13.56 37.673 in (null):V-9999 (41) neighbor-bump: 2.22052 Ang O(253) at 52.199 -7.976 48.583 in (null):Y-9999 (34) and CB(257) at 52.2667 -8.98636 50.5592 in (null):E-9999 (35) neighbor-bump: 2.63164 Ang C(254) at 53.414 -7.939 48.435 in (null):Y-9999 (34) and CB(257) at 52.2667 -8.98636 50.5592 in (null):E-9999 (35) other bump:2.20103 Ang O(217) at 47.273 -3.767 42.332 in (null):G-9999 (30) and CD(231) at 49.4726 -3.83714 42.2961 in (null):P-9999 (32) other bump:2.44084 Ang C(218) at 47.375 -2.848 41.535 in (null):G-9999 (30) and CD(231) at 49.4726 -3.83714 42.2961 in (null):P-9999 (32) neighbor-bump: 2.4528 Ang N(219) at 48.178 -2.895 40.438 in (null):N-9999 (31) and CD(231) at 49.4726 -3.83714 42.2961 in (null):P-9999 (32) neighbor-bump: 2.20085 Ang CA(220) at 49.061 -4.054 40.145 in (null):N-9999 (31) and CD(231) at 49.4726 -3.83714 42.2961 in (null):P-9999 (32) neighbor-bump: 2.25219 Ang O(225) at 51.162 -3.161 40.969 in (null):N-9999 (31) and CD(231) at 49.4726 -3.83714 42.2961 in (null):P-9999 (32) neighbor-bump: 1.48434 Ang C(226) at 50.288 -4.049 41.074 in (null):N-9999 (31) and CD(231) at 49.4726 -3.83714 42.2961 in (null):P-9999 (32) neighbor-bump: 2.31465 Ang O(225) at 51.162 -3.161 40.969 in (null):N-9999 (31) and CG(230) at 50.3914 -3.00538 43.1461 in (null):P-9999 (32) neighbor-bump: 2.32235 Ang C(226) at 50.288 -4.049 41.074 in (null):N-9999 (31) and CG(230) at 50.3914 -3.00538 43.1461 in (null):P-9999 (32) other bump:2.71953 Ang C(197) at 46.82 0.942 35.035 in (null):S-9999 (27) and CD(212) at 46.6279 1.68906 37.6428 in (null):P-9999 (29) neighbor-bump: 2.38129 Ang N(198) at 47.933 0.926 35.803 in (null):H-9999 (28) and CD(212) at 46.6279 1.68906 37.6428 in (null):P-9999 (29) other bump:3.29969 Ang CA(193) at 46.477 2.216 34.389 in (null):S-9999 (27) and CD(212) at 46.6279 1.68906 37.6428 in (null):P-9999 (29) other bump:2.34692 Ang CE(55) at 52.2077 -2.14432 32.4591 in (null):K-9999 (7) and CE1(204) at 50.235 -3.097 33.301 in (null):H-9999 (28) other bump:2.33003 Ang CE(55) at 52.2077 -2.14432 32.4591 in (null):K-9999 (7) and ND1(203) at 50.674 -2.208 34.212 in (null):H-9999 (28) other bump:3.48212 Ang NZ(56) at 52.1167 -2.69154 31.0799 in (null):K-9999 (7) and ND1(203) at 50.674 -2.208 34.212 in (null):H-9999 (28) other bump:2.04318 Ang CG2(180) at 46.1649 4.41311 30.4908 in (null):I-9999 (25) and OG(195) at 45.7583 3.29429 32.1514 in (null):S-9999 (27) other bump:2.7431 Ang CB(44) at 51.651 3.989 36.604 in (null):D-9999 (6) and CG2(188) at 49.4393 5.61086 36.6553 in (null):I-9999 (26) other bump:3.08047 Ang CD2(170) at 51.363 8.79013 32.675 in (null):H-9999 (24) and CG1(187) at 49.8129 7.42613 34.9611 in (null):I-9999 (26) other bump:3.01566 Ang CB(4) at 46.0321 6.67031 25.5022 in (null):V-9999 (1) and CD1(181) at 46.001 6.79436 28.5152 in (null):I-9999 (25) other bump:1.65759 Ang CG1(5) at 46.3001 6.29665 26.9626 in (null):V-9999 (1) and CD1(181) at 46.001 6.79436 28.5152 in (null):I-9999 (25) other bump:1.75409 Ang CG1(5) at 46.3001 6.29665 26.9626 in (null):V-9999 (1) and CG1(179) at 46.9607 5.62361 28.4416 in (null):I-9999 (25) other bump:2.5946 Ang CB(34) at 52.2783 5.66547 31.4523 in (null):H-9999 (5) and NE2(173) at 52.2552 7.78253 32.9521 in (null):H-9999 (24) other bump:1.63751 Ang CG(35) at 53.0304 6.91884 31.7969 in (null):H-9999 (5) and NE2(173) at 52.2552 7.78253 32.9521 in (null):H-9999 (24) other bump:0.586642 Ang CD2(36) at 52.7832 7.88501 32.7179 in (null):H-9999 (5) and NE2(173) at 52.2552 7.78253 32.9521 in (null):H-9999 (24) other bump:2.78104 Ang CE1(38) at 54.6638 8.40367 31.7083 in (null):H-9999 (5) and NE2(173) at 52.2552 7.78253 32.9521 in (null):H-9999 (24) other bump:1.88323 Ang NE2(39) at 53.8135 8.79378 32.6429 in (null):H-9999 (5) and NE2(173) at 52.2552 7.78253 32.9521 in (null):H-9999 (24) other bump:1.85389 Ang CB(34) at 52.2783 5.66547 31.4523 in (null):H-9999 (5) and CE1(172) at 52.8344 7.39243 31.8335 in (null):H-9999 (24) other bump:0.51386 Ang CG(35) at 53.0304 6.91884 31.7969 in (null):H-9999 (5) and CE1(172) at 52.8344 7.39243 31.8335 in (null):H-9999 (24) other bump:1.01359 Ang CD2(36) at 52.7832 7.88501 32.7179 in (null):H-9999 (5) and CE1(172) at 52.8344 7.39243 31.8335 in (null):H-9999 (24) other bump:1.5321 Ang ND1(37) at 54.215 7.27565 31.1796 in (null):H-9999 (5) and CE1(172) at 52.8344 7.39243 31.8335 in (null):H-9999 (24) other bump:2.09405 Ang CE1(38) at 54.6638 8.40367 31.7083 in (null):H-9999 (5) and CE1(172) at 52.8344 7.39243 31.8335 in (null):H-9999 (24) other bump:1.89146 Ang NE2(39) at 53.8135 8.79378 32.6429 in (null):H-9999 (5) and CE1(172) at 52.8344 7.39243 31.8335 in (null):H-9999 (24) other bump:2.57429 Ang SD(104) at 55.294 8.04678 31.4475 in (null):M-9999 (14) and CE1(172) at 52.8344 7.39243 31.8335 in (null):H-9999 (24) other bump:2.50024 Ang CE(105) at 55.1038 6.42445 32.2385 in (null):M-9999 (14) and CE1(172) at 52.8344 7.39243 31.8335 in (null):H-9999 (24) other bump:2.52168 Ang CB(34) at 52.2783 5.66547 31.4523 in (null):H-9999 (5) and ND1(171) at 52.3484 8.11148 30.8432 in (null):H-9999 (24) other bump:1.67241 Ang CG(35) at 53.0304 6.91884 31.7969 in (null):H-9999 (5) and ND1(171) at 52.3484 8.11148 30.8432 in (null):H-9999 (24) other bump:1.93772 Ang CD2(36) at 52.7832 7.88501 32.7179 in (null):H-9999 (5) and ND1(171) at 52.3484 8.11148 30.8432 in (null):H-9999 (24) other bump:2.07264 Ang ND1(37) at 54.215 7.27565 31.1796 in (null):H-9999 (5) and ND1(171) at 52.3484 8.11148 30.8432 in (null):H-9999 (24) other bump:2.48891 Ang CE1(38) at 54.6638 8.40367 31.7083 in (null):H-9999 (5) and ND1(171) at 52.3484 8.11148 30.8432 in (null):H-9999 (24) other bump:2.41888 Ang NE2(39) at 53.8135 8.79378 32.6429 in (null):H-9999 (5) and ND1(171) at 52.3484 8.11148 30.8432 in (null):H-9999 (24) other bump:3.00762 Ang SD(104) at 55.294 8.04678 31.4475 in (null):M-9999 (14) and ND1(171) at 52.3484 8.11148 30.8432 in (null):H-9999 (24) other bump:2.65573 Ang CG(35) at 53.0304 6.91884 31.7969 in (null):H-9999 (5) and CD2(170) at 51.363 8.79013 32.675 in (null):H-9999 (24) other bump:1.68465 Ang CD2(36) at 52.7832 7.88501 32.7179 in (null):H-9999 (5) and CD2(170) at 51.363 8.79013 32.675 in (null):H-9999 (24) other bump:2.45072 Ang NE2(39) at 53.8135 8.79378 32.6429 in (null):H-9999 (5) and CD2(170) at 51.363 8.79013 32.675 in (null):H-9999 (24) other bump:2.67209 Ang CG(35) at 53.0304 6.91884 31.7969 in (null):H-9999 (5) and CG(169) at 51.4188 9.00073 31.3402 in (null):H-9999 (24) other bump:2.23705 Ang CD2(36) at 52.7832 7.88501 32.7179 in (null):H-9999 (5) and CG(169) at 51.4188 9.00073 31.3402 in (null):H-9999 (24) other bump:2.73396 Ang NE2(39) at 53.8135 8.79378 32.6429 in (null):H-9999 (5) and CG(169) at 51.4188 9.00073 31.3402 in (null):H-9999 (24) other bump:1.95059 Ang O(0) at 47.714 9.603 23.515 in (null):G-9999 (0) and CG1(162) at 46.7205 9.50239 25.1906 in (null):V-9999 (23) other bump:2.53691 Ang C(1) at 47.325 8.631 22.886 in (null):G-9999 (0) and CG1(162) at 46.7205 9.50239 25.1906 in (null):V-9999 (23) other bump:2.70745 Ang N(2) at 47.07 7.472 23.434 in (null):V-9999 (1) and CG1(162) at 46.7205 9.50239 25.1906 in (null):V-9999 (23) other bump:2.3431 Ang CA(3) at 47.295 7.255 24.86 in (null):V-9999 (1) and CG1(162) at 46.7205 9.50239 25.1906 in (null):V-9999 (23) other bump:2.93116 Ang CB(4) at 46.0321 6.67031 25.5022 in (null):V-9999 (1) and CG1(162) at 46.7205 9.50239 25.1906 in (null):V-9999 (23) other bump:2.53813 Ang CG2(6) at 44.9022 7.74839 25.4342 in (null):V-9999 (1) and CG1(162) at 46.7205 9.50239 25.1906 in (null):V-9999 (23) other bump:3.00529 Ang CG2(124) at 54.2925 10.6508 25.3671 in (null):T-9999 (17) and ND2(155) at 53.6264 12.0757 22.8063 in (null):N-9999 (22) other bump:2.18689 Ang O(40) at 54.504 4.882 33.668 in (null):H-9999 (5) and CE(105) at 55.1038 6.42445 32.2385 in (null):M-9999 (14) other bump:2.88537 Ang C(41) at 53.456 4.342 33.367 in (null):H-9999 (5) and CE(105) at 55.1038 6.42445 32.2385 in (null):M-9999 (14) other bump:2.17679 Ang CG(35) at 53.0304 6.91884 31.7969 in (null):H-9999 (5) and CE(105) at 55.1038 6.42445 32.2385 in (null):M-9999 (14) other bump:2.78356 Ang CD2(36) at 52.7832 7.88501 32.7179 in (null):H-9999 (5) and CE(105) at 55.1038 6.42445 32.2385 in (null):M-9999 (14) other bump:1.62344 Ang ND1(37) at 54.215 7.27565 31.1796 in (null):H-9999 (5) and CE(105) at 55.1038 6.42445 32.2385 in (null):M-9999 (14) other bump:2.0957 Ang CE1(38) at 54.6638 8.40367 31.7083 in (null):H-9999 (5) and CE(105) at 55.1038 6.42445 32.2385 in (null):M-9999 (14) other bump:2.72803 Ang NE2(39) at 53.8135 8.79378 32.6429 in (null):H-9999 (5) and CE(105) at 55.1038 6.42445 32.2385 in (null):M-9999 (14) other bump:2.55311 Ang CG(35) at 53.0304 6.91884 31.7969 in (null):H-9999 (5) and SD(104) at 55.294 8.04678 31.4475 in (null):M-9999 (14) other bump:2.81855 Ang CD2(36) at 52.7832 7.88501 32.7179 in (null):H-9999 (5) and SD(104) at 55.294 8.04678 31.4475 in (null):M-9999 (14) other bump:1.35302 Ang ND1(37) at 54.215 7.27565 31.1796 in (null):H-9999 (5) and SD(104) at 55.294 8.04678 31.4475 in (null):M-9999 (14) other bump:0.769786 Ang CE1(38) at 54.6638 8.40367 31.7083 in (null):H-9999 (5) and SD(104) at 55.294 8.04678 31.4475 in (null):M-9999 (14) other bump:2.04423 Ang NE2(39) at 53.8135 8.79378 32.6429 in (null):H-9999 (5) and SD(104) at 55.294 8.04678 31.4475 in (null):M-9999 (14) other bump:1.89692 Ang CE1(38) at 54.6638 8.40367 31.7083 in (null):H-9999 (5) and CG(103) at 56.1379 8.97697 32.7555 in (null):M-9999 (14) other bump:2.33436 Ang NE2(39) at 53.8135 8.79378 32.6429 in (null):H-9999 (5) and CG(103) at 56.1379 8.97697 32.7555 in (null):M-9999 (14) other bump:2.66667 Ang CE1(38) at 54.6638 8.40367 31.7083 in (null):H-9999 (5) and CB(102) at 56.2123 10.4554 32.418 in (null):M-9999 (14) other bump:2.66168 Ang CB(27) at 50.9599 -0.301086 31.2589 in (null):P-9999 (4) and NZ(56) at 52.1167 -2.69154 31.0799 in (null):K-9999 (7) other bump:2.52887 Ang CB(27) at 50.9599 -0.301086 31.2589 in (null):P-9999 (4) and CE(55) at 52.2077 -2.14432 32.4591 in (null):K-9999 (7) neighbor-bump: 2.44528 Ang CB(22) at 48.7718 1.6914 27.7464 in (null):A-9999 (3) and CD(29) at 50.4817 0.722803 29.2016 in (null):P-9999 (4) self-bump: 2.22021 Ang CA(26) at 51.068 1.097 31.31 in (null):P-9999 (4) and CD(29) at 50.4817 0.722803 29.2016 in (null):P-9999 (4) neighbor-bump: 2.00631 Ang O(23) at 51.744 2.207 28.723 in (null):A-9999 (3) and CD(29) at 50.4817 0.722803 29.2016 in (null):P-9999 (4) neighbor-bump: 1.55234 Ang C(24) at 50.618 2.269 29.18 in (null):A-9999 (3) and CD(29) at 50.4817 0.722803 29.2016 in (null):P-9999 (4) T0147_twice 410 :SRKGSEDNCREVAAAVRDAGG 1pscA 272 :LGIRSWQTRALLIKALIDQGY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 2.39969 Ang O(6) at 53.127 -5.276 39.454 in (null):S-9999 (1) and CG(11) at 54.8205 -3.98718 38.3451 in (null):R-9999 (2) neighbor-bump: 2.51501 Ang C(7) at 53.428 -6.485 39.278 in (null):S-9999 (1) and CB(10) at 54.9859 -4.56474 39.7373 in (null):R-9999 (2) neighbor-bump: 2.01035 Ang O(6) at 53.127 -5.276 39.454 in (null):S-9999 (1) and CB(10) at 54.9859 -4.56474 39.7373 in (null):R-9999 (2) T0147_twice 431 :WVALGSDS 1pscA 295 :QILVSNDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0147_twice 443 :TMGEFEECLKILDAVDFPPERILNVSPRRLLNFLESRGMAPI 1pscA 303 :LFGFSSYVTNIMDVMDRVNPDGMAFIPLRVIPFLREKGVPQE Fragment has 46 clashes (null) has 46 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.98189 Ang NH2(168) at 41.6964 0.497782 46.5789 in (null):R-9999 (21) and NE(231) at 42.319 0.609 49.493 in (null):R-9999 (29) other bump:2.29015 Ang NE(165) at 39.7748 -0.517898 47.1292 in (null):R-9999 (21) and CD(230) at 41.443 0.486 48.335 in (null):R-9999 (29) other bump:1.89761 Ang CZ(166) at 40.3843 0.59708 46.7641 in (null):R-9999 (21) and CD(230) at 41.443 0.486 48.335 in (null):R-9999 (29) other bump:1.77428 Ang NH2(168) at 41.6964 0.497782 46.5789 in (null):R-9999 (21) and CD(230) at 41.443 0.486 48.335 in (null):R-9999 (29) other bump:2.67854 Ang NE(165) at 39.7748 -0.517898 47.1292 in (null):R-9999 (21) and CG(229) at 40.89 1.812 47.838 in (null):R-9999 (29) other bump:1.69854 Ang CZ(166) at 40.3843 0.59708 46.7641 in (null):R-9999 (21) and CG(229) at 40.89 1.812 47.838 in (null):R-9999 (29) other bump:1.99065 Ang NH2(168) at 41.6964 0.497782 46.5789 in (null):R-9999 (21) and CG(229) at 40.89 1.812 47.838 in (null):R-9999 (29) other bump:2.60107 Ang CZ(166) at 40.3843 0.59708 46.7641 in (null):R-9999 (21) and CB(228) at 41.851 2.725 47.058 in (null):R-9999 (29) other bump:2.26515 Ang NH1(167) at 39.8433 1.80172 46.5602 in (null):R-9999 (21) and CB(228) at 41.851 2.725 47.058 in (null):R-9999 (29) other bump:2.28339 Ang NH2(168) at 41.6964 0.497782 46.5789 in (null):R-9999 (21) and CB(228) at 41.851 2.725 47.058 in (null):R-9999 (29) other bump:2.64865 Ang NH1(167) at 39.8433 1.80172 46.5602 in (null):R-9999 (21) and CA(227) at 41.135 4.082 46.944 in (null):R-9999 (29) other bump:2.11671 Ang NH1(167) at 39.8433 1.80172 46.5602 in (null):R-9999 (21) and N(226) at 39.814 3.905 46.324 in (null):R-9999 (29) other bump:2.707 Ang NH1(167) at 39.8433 1.80172 46.5602 in (null):R-9999 (21) and C(225) at 38.729 4.231 46.99 in (null):R-9999 (28) other bump:2.3748 Ang CB(162) at 38.3089 -2.49625 45.4681 in (null):R-9999 (21) and NH1(222) at 36.4283 -2.07113 46.8546 in (null):R-9999 (28) other bump:1.75434 Ang CG(163) at 38.1558 -2.34823 46.9837 in (null):R-9999 (21) and NH1(222) at 36.4283 -2.07113 46.8546 in (null):R-9999 (28) other bump:2.39011 Ang CD(164) at 38.4407 -0.921761 47.4393 in (null):R-9999 (21) and NH1(222) at 36.4283 -2.07113 46.8546 in (null):R-9999 (28) other bump:2.5969 Ang CG(163) at 38.1558 -2.34823 46.9837 in (null):R-9999 (21) and CZ(221) at 35.9549 -1.19794 47.743 in (null):R-9999 (28) other bump:2.5195 Ang CD(164) at 38.4407 -0.921761 47.4393 in (null):R-9999 (21) and CZ(221) at 35.9549 -1.19794 47.743 in (null):R-9999 (28) neighbor-bump: 2.3449 Ang CG2(175) at 38.3646 -5.1952 39.0317 in (null):I-9999 (22) and N(179) at 37.547 -3.146 39.826 in (null):L-9999 (23) other bump:2.25212 Ang CE(14) at 36.5405 -8.31182 38.0318 in (null):M-9999 (2) and CD1(176) at 37.6796 -8.12631 39.9657 in (null):I-9999 (22) self-bump: 1.338 Ang CA(172) at 38.464 -4.771 41.368 in (null):I-9999 (22) and CB(173) at 38.0659 -5.64931 40.4405 in (null):I-9999 (22) other bump:2.01014 Ang O(135) at 43.865 -9.435 47.761 in (null):F-9999 (17) and OE2(157) at 42.1244 -9.25976 48.751 in (null):E-9999 (20) other bump:2.61751 Ang O(116) at 43.428 -9.491 43.057 in (null):V-9999 (15) and CD(148) at 44.3008 -7.0867 43.6128 in (null):P-9999 (19) self-bump: 2.25621 Ang CA(145) at 42.619 -6.157 44.795 in (null):P-9999 (19) and CD(148) at 44.3008 -7.0867 43.6128 in (null):P-9999 (19) neighbor-bump: 2.79215 Ang CB(139) at 46.3592 -8.71825 44.5599 in (null):P-9999 (18) and CD(148) at 44.3008 -7.0867 43.6128 in (null):P-9999 (19) self-bump: 2.13464 Ang CA(145) at 42.619 -6.157 44.795 in (null):P-9999 (19) and CG(147) at 43.8464 -5.74021 43.099 in (null):P-9999 (19) other bump:3.26099 Ang CA(112) at 44.552 -11.056 41.627 in (null):V-9999 (15) and CD(141) at 45.1505 -10.7502 44.818 in (null):P-9999 (18) other bump:2.9295 Ang C(117) at 43.405 -10.586 42.471 in (null):V-9999 (15) and CD(141) at 45.1505 -10.7502 44.818 in (null):P-9999 (18) neighbor-bump: 2.66069 Ang N(126) at 42.637 -11.519 45.231 in (null):F-9999 (17) and CD(141) at 45.1505 -10.7502 44.818 in (null):P-9999 (18) other bump:1.62421 Ang O(109) at 45.599 -12.004 43.888 in (null):A-9999 (14) and CD(141) at 45.1505 -10.7502 44.818 in (null):P-9999 (18) other bump:2.7656 Ang C(110) at 45.352 -12.835 43.012 in (null):A-9999 (14) and CD(141) at 45.1505 -10.7502 44.818 in (null):P-9999 (18) other bump:2.0958 Ang O(109) at 45.599 -12.004 43.888 in (null):A-9999 (14) and CG(140) at 46.5154 -10.2031 44.444 in (null):P-9999 (18) other bump:3.21423 Ang C(110) at 45.352 -12.835 43.012 in (null):A-9999 (14) and CG(140) at 46.5154 -10.2031 44.444 in (null):P-9999 (18) other bump:3.19337 Ang CD(54) at 47.2486 -13.4867 34.0873 in (null):E-9999 (7) and CG2(86) at 45.681 -15.592 35.906 in (null):I-9999 (11) other bump:2.69352 Ang OE1(55) at 47.6596 -13.9068 35.1989 in (null):E-9999 (7) and CG2(86) at 45.681 -15.592 35.906 in (null):I-9999 (11) other bump:2.2428 Ang OE1(55) at 47.6596 -13.9068 35.1989 in (null):E-9999 (7) and CG1(85) at 47.429 -14.487 37.353 in (null):I-9999 (11) other bump:2.81428 Ang OE1(55) at 47.6596 -13.9068 35.1989 in (null):E-9999 (7) and CB(84) at 46.702 -15.793 37.055 in (null):I-9999 (11) neighbor-bump: 2.47832 Ang CB(67) at 44.8209 -21.5574 35.4073 in (null):L-9999 (9) and N(73) at 44.675 -20.163 37.451 in (null):K-9999 (10) self-bump: 2.21657 Ang CB(67) at 44.8209 -21.5574 35.4073 in (null):L-9999 (9) and C(72) at 45.837 -20.635 37.148 in (null):L-9999 (9) self-bump: 1.28396 Ang CA(66) at 46.003 -21.169 35.724 in (null):L-9999 (9) and CB(67) at 44.8209 -21.5574 35.4073 in (null):L-9999 (9) other bump:2.87201 Ang CG(24) at 44.2418 -13.22 32.4005 in (null):E-9999 (4) and OE2(56) at 46.5244 -12.4631 33.9707 in (null):E-9999 (7) other bump:1.5955 Ang CD(25) at 45.1469 -12.3046 33.1814 in (null):E-9999 (4) and OE2(56) at 46.5244 -12.4631 33.9707 in (null):E-9999 (7) other bump:0.840383 Ang OE1(26) at 45.7671 -12.7751 34.1587 in (null):E-9999 (4) and OE2(56) at 46.5244 -12.4631 33.9707 in (null):E-9999 (7) other bump:2.20041 Ang OE2(27) at 45.2242 -11.109 32.8228 in (null):E-9999 (4) and OE2(56) at 46.5244 -12.4631 33.9707 in (null):E-9999 (7) other bump:2.57591 Ang CD(25) at 45.1469 -12.3046 33.1814 in (null):E-9999 (4) and CD(54) at 47.2486 -13.4867 34.0873 in (null):E-9999 (7) other bump:1.64515 Ang OE1(26) at 45.7671 -12.7751 34.1587 in (null):E-9999 (4) and CD(54) at 47.2486 -13.4867 34.0873 in (null):E-9999 (7) T0147_twice 485 :AEF 1pscA 360 :PTL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 11 total=317 Number of alignments=22 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/2mnr/T0147_twice-2mnr-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 2mnr read from /projects/compbio/experiments/casp5/t0147/t0147_twice/2mnr/T0147_twice-2mnr-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 2mnr in template set T0147_twice 7 :H 2mnr 140 :H Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 13 :STHAYSTLSDYIAQAKQKGIKLFAI 2mnr 141 :SLDGVKLATERAVTAAELGFRAVKT Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.8441 Ang OG1(12) at 28.6697 -0.646786 26.0921 in (null):T-9999 (2) and CA(197) at 27.172 1.44 24.871 in (null):G-9999 (26) other bump:2.36551 Ang CD1(59) at 28.3226 1.38002 31.0436 in (null):L-9999 (8) and CD1(193) at 26.4999 2.55041 30.093 in (null):I-9999 (25) other bump:3.15783 Ang CD1(59) at 28.3226 1.38002 31.0436 in (null):L-9999 (8) and CG1(191) at 26.8806 2.88624 28.6721 in (null):I-9999 (25) other bump:2.41818 Ang O(95) at 28.834 12.368 34.191 in (null):I-9999 (12) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:3.27325 Ang C(96) at 29.197 11.229 34.512 in (null):I-9999 (12) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:2.81302 Ang N(116) at 29.229 15.267 33.604 in (null):K-9999 (16) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:2.81512 Ang CA(112) at 31.009 14.58 32.029 in (null):A-9999 (15) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:1.95492 Ang CB(113) at 30.248 13.723 31.028 in (null):A-9999 (15) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:2.95845 Ang C(115) at 30.042 15.603 32.614 in (null):A-9999 (15) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:2.72801 Ang O(95) at 28.834 12.368 34.191 in (null):I-9999 (12) and CE2(179) at 27.2405 12.856 32.0312 in (null):F-9999 (23) other bump:2.9172 Ang CA(112) at 31.009 14.58 32.029 in (null):A-9999 (15) and CE1(178) at 29.3339 12.4726 30.9052 in (null):F-9999 (23) other bump:1.55374 Ang CB(113) at 30.248 13.723 31.028 in (null):A-9999 (15) and CE1(178) at 29.3339 12.4726 30.9052 in (null):F-9999 (23) other bump:2.83332 Ang CB(113) at 30.248 13.723 31.028 in (null):A-9999 (15) and CD1(176) at 28.6959 11.5714 30.0334 in (null):F-9999 (23) other bump:2.62821 Ang CG2(151) at 27.5558 16.0265 28.2794 in (null):I-9999 (20) and O(170) at 26.202 13.849 27.702 in (null):L-9999 (22) other bump:2.88227 Ang CB(17) at 32.4408 1.89044 30.4398 in (null):H-9999 (3) and CD2(60) at 29.8574 3.13865 30.165 in (null):L-9999 (8) other bump:3.12861 Ang CB(17) at 32.4408 1.89044 30.4398 in (null):H-9999 (3) and CG(58) at 29.4827 2.29231 31.3757 in (null):L-9999 (8) neighbor-bump: 2.37382 Ang CB(27) at 30.2594 -2.77993 33.4062 in (null):A-9999 (4) and N(30) at 29.292 -1.113 34.792 in (null):Y-9999 (5) self-bump: 2.15509 Ang CB(27) at 30.2594 -2.77993 33.4062 in (null):A-9999 (4) and C(29) at 30.007 -0.671 33.771 in (null):A-9999 (4) self-bump: 1.24199 Ang CA(26) at 30.585 -1.723 32.841 in (null):A-9999 (4) and CB(27) at 30.2594 -2.77993 33.4062 in (null):A-9999 (4) other bump:2.91119 Ang CB(4) at 33.009 2.714 24.962 in (null):S-9999 (1) and NE2(22) at 33.6643 3.86745 27.5534 in (null):H-9999 (3) other bump:2.2079 Ang OG(5) at 34.084 2.492 25.878 in (null):S-9999 (1) and NE2(22) at 33.6643 3.86745 27.5534 in (null):H-9999 (3) other bump:2.25289 Ang OG(5) at 34.084 2.492 25.878 in (null):S-9999 (1) and CE1(21) at 34.7216 3.18438 27.9248 in (null):H-9999 (3) other bump:2.4127 Ang N(2) at 31.808 4.316 26.27 in (null):S-9999 (1) and CD2(19) at 32.6387 3.50027 28.3832 in (null):H-9999 (3) other bump:3.01712 Ang CA(3) at 31.64 3.05 25.572 in (null):S-9999 (1) and CD2(19) at 32.6387 3.50027 28.3832 in (null):H-9999 (3) other bump:3.00622 Ang C(7) at 31.053 1.891 26.4 in (null):S-9999 (1) and CD2(19) at 32.6387 3.50027 28.3832 in (null):H-9999 (3) self-bump: 1.32145 Ang CA(9) at 30.769 -0.478 26.897 in (null):T-9999 (2) and CB(10) at 29.9131 -1.34303 26.3818 in (null):T-9999 (2) T0147_twice 43 :DMEDAPHHWHFINMRIW 2mnr 166 :KIGYPALDQDLAVVRSI Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.27942 Ang ND1(52) at 16.8351 -5.53308 28.8973 in (null):H-9999 (7) and CZ(99) at 15.66 -4.45489 30.5259 in (null):F-9999 (11) other bump:1.21609 Ang CE1(53) at 15.9661 -4.65045 29.3653 in (null):H-9999 (7) and CZ(99) at 15.66 -4.45489 30.5259 in (null):F-9999 (11) other bump:2.61761 Ang CG(50) at 16.8524 -6.6423 29.7225 in (null):H-9999 (7) and CZ(99) at 15.66 -4.45489 30.5259 in (null):F-9999 (11) other bump:1.96549 Ang CD2(51) at 15.9512 -6.39032 30.706 in (null):H-9999 (7) and CZ(99) at 15.66 -4.45489 30.5259 in (null):F-9999 (11) other bump:0.736033 Ang NE2(54) at 15.4165 -5.14647 30.461 in (null):H-9999 (7) and CZ(99) at 15.66 -4.45489 30.5259 in (null):F-9999 (11) other bump:2.69392 Ang ND1(52) at 16.8351 -5.53308 28.8973 in (null):H-9999 (7) and CE2(98) at 16.3062 -3.24582 30.2186 in (null):F-9999 (11) other bump:1.67835 Ang CE1(53) at 15.9661 -4.65045 29.3653 in (null):H-9999 (7) and CE2(98) at 16.3062 -3.24582 30.2186 in (null):F-9999 (11) other bump:2.11252 Ang NE2(54) at 15.4165 -5.14647 30.461 in (null):H-9999 (7) and CE2(98) at 16.3062 -3.24582 30.2186 in (null):F-9999 (11) other bump:3.02114 Ang ND1(52) at 16.8351 -5.53308 28.8973 in (null):H-9999 (7) and CE1(97) at 15.8911 -5.11698 31.7368 in (null):F-9999 (11) other bump:2.41816 Ang CE1(53) at 15.9661 -4.65045 29.3653 in (null):H-9999 (7) and CE1(97) at 15.8911 -5.11698 31.7368 in (null):F-9999 (11) other bump:2.70334 Ang CG(50) at 16.8524 -6.6423 29.7225 in (null):H-9999 (7) and CE1(97) at 15.8911 -5.11698 31.7368 in (null):F-9999 (11) other bump:1.6394 Ang CD2(51) at 15.9512 -6.39032 30.706 in (null):H-9999 (7) and CE1(97) at 15.8911 -5.11698 31.7368 in (null):F-9999 (11) other bump:1.36153 Ang NE2(54) at 15.4165 -5.14647 30.461 in (null):H-9999 (7) and CE1(97) at 15.8911 -5.11698 31.7368 in (null):F-9999 (11) other bump:2.77873 Ang CD2(51) at 15.9512 -6.39032 30.706 in (null):H-9999 (7) and CD1(95) at 16.7786 -4.57559 32.6408 in (null):F-9999 (11) other bump:2.63298 Ang NE2(54) at 15.4165 -5.14647 30.461 in (null):H-9999 (7) and CD1(95) at 16.7786 -4.57559 32.6408 in (null):F-9999 (11) other bump:2.04048 Ang CA(19) at 24.38 -5.093 24.621 in (null):E-9999 (3) and NE2(88) at 23.4489 -4.89747 26.4261 in (null):H-9999 (10) other bump:1.70048 Ang N(18) at 24.343 -3.87 25.408 in (null):E-9999 (3) and NE2(88) at 23.4489 -4.89747 26.4261 in (null):H-9999 (10) other bump:2.39235 Ang C(26) at 25.207 -6.124 25.364 in (null):E-9999 (3) and NE2(88) at 23.4489 -4.89747 26.4261 in (null):H-9999 (10) other bump:2.02291 Ang N(27) at 25.004 -6.169 26.665 in (null):D-9999 (4) and NE2(88) at 23.4489 -4.89747 26.4261 in (null):H-9999 (10) other bump:2.31491 Ang CA(19) at 24.38 -5.093 24.621 in (null):E-9999 (3) and CE1(87) at 23.3062 -3.63889 26.0672 in (null):H-9999 (10) other bump:1.25012 Ang N(18) at 24.343 -3.87 25.408 in (null):E-9999 (3) and CE1(87) at 23.3062 -3.63889 26.0672 in (null):H-9999 (10) other bump:3.20674 Ang C(26) at 25.207 -6.124 25.364 in (null):E-9999 (3) and CE1(87) at 23.3062 -3.63889 26.0672 in (null):H-9999 (10) other bump:2.76237 Ang CA(11) at 25.165 -1.598 25.965 in (null):M-9999 (2) and CE1(87) at 23.3062 -3.63889 26.0672 in (null):H-9999 (10) other bump:2.41607 Ang CB(12) at 23.5036 -1.2503 25.762 in (null):M-9999 (2) and CE1(87) at 23.3062 -3.63889 26.0672 in (null):H-9999 (10) other bump:2.19742 Ang C(17) at 25.066 -2.81 25.045 in (null):M-9999 (2) and CE1(87) at 23.3062 -3.63889 26.0672 in (null):H-9999 (10) other bump:2.53364 Ang N(18) at 24.343 -3.87 25.408 in (null):E-9999 (3) and ND1(86) at 22.5615 -3.00945 26.9908 in (null):H-9999 (10) other bump:3.13408 Ang CA(11) at 25.165 -1.598 25.965 in (null):M-9999 (2) and ND1(86) at 22.5615 -3.00945 26.9908 in (null):H-9999 (10) other bump:2.34349 Ang CB(12) at 23.5036 -1.2503 25.762 in (null):M-9999 (2) and ND1(86) at 22.5615 -3.00945 26.9908 in (null):H-9999 (10) other bump:3.17776 Ang C(17) at 25.066 -2.81 25.045 in (null):M-9999 (2) and ND1(86) at 22.5615 -3.00945 26.9908 in (null):H-9999 (10) other bump:2.64036 Ang N(27) at 25.004 -6.169 26.665 in (null):D-9999 (4) and CD2(85) at 22.7927 -5.09797 27.6318 in (null):H-9999 (10) neighbor-bump: 2.83852 Ang CB(37) at 25.834 -11.877 28.362 in (null):A-9999 (5) and CD(44) at 24.1754 -10.6892 30.3357 in (null):P-9999 (6) T0147_twice 60 :PRVVDGVGILR 2mnr 184 :QAVGDDFGIMV Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.17314 Ang CG2(61) at 21.815 6.868 29.681 in (null):I-9999 (9) and NH2(81) at 22.2747 5.18848 30.9812 in (null):R-9999 (11) other bump:1.74546 Ang CG2(61) at 21.815 6.868 29.681 in (null):I-9999 (9) and NH1(80) at 22.9878 5.84001 28.8971 in (null):R-9999 (11) other bump:2.07353 Ang CG2(61) at 21.815 6.868 29.681 in (null):I-9999 (9) and CZ(79) at 22.4891 4.9072 29.6993 in (null):R-9999 (11) other bump:2.60926 Ang CG2(24) at 22.892 10.999 35.303 in (null):V-9999 (3) and CG1(49) at 21.1105 12.164 33.794 in (null):V-9999 (7) neighbor-bump: 2.44589 Ang O(25) at 21.965 13.947 37.292 in (null):V-9999 (3) and CG2(31) at 21.0635 14.741 39.4225 in (null):V-9999 (4) neighbor-bump: 2.83019 Ang C(26) at 22.147 12.79 37.682 in (null):V-9999 (3) and CG2(31) at 21.0635 14.741 39.4225 in (null):V-9999 (4) neighbor-bump: 2.14855 Ang O(25) at 21.965 13.947 37.292 in (null):V-9999 (3) and CB(29) at 20.1093 14.3022 38.3149 in (null):V-9999 (4) neighbor-bump: 2.61527 Ang C(26) at 22.147 12.79 37.682 in (null):V-9999 (3) and CB(29) at 20.1093 14.3022 38.3149 in (null):V-9999 (4) T0147_twice 77 :K 2mnr 196 :Y Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 80 :D 2mnr 197 :N Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 106 :APHDKATNTQAM 2mnr 198 :QSLDVPAAIKRS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.06704 Ang CG(56) at 16.3451 -3.4784 19.0835 in (null):N-9999 (8) and SD(86) at 14.7575 -1.02527 20.0152 in (null):M-9999 (12) other bump:2.55523 Ang ND2(57) at 15.6101 -2.72622 18.3097 in (null):N-9999 (8) and SD(86) at 14.7575 -1.02527 20.0152 in (null):M-9999 (12) other bump:3.16666 Ang OD1(58) at 17.2143 -3.01294 19.8128 in (null):N-9999 (8) and SD(86) at 14.7575 -1.02527 20.0152 in (null):M-9999 (12) other bump:2.41501 Ang C(1) at 25.68 -2.414 17.17 in (null):G-9999 (0) and CD(11) at 24.3375 -3.90419 18.5151 in (null):P-9999 (2) neighbor-bump: 2.27997 Ang N(2) at 24.417 -2.497 16.723 in (null):A-9999 (1) and CD(11) at 24.3375 -3.90419 18.5151 in (null):P-9999 (2) T0147_twice 119 :ATIASGNVHIISHPGNPK 2mnr 210 :QALQQEGVTWIEEPTLQH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:3.1861 Ang CG2(18) at 16.8109 1.81964 27.4152 in (null):I-9999 (3) and CG1(48) at 17.729 4.66 28.529 in (null):V-9999 (8) T0147_twice 140 :DVKAVAEAAAKHQVALEINNSS 2mnr 228 :DYEGHQRIQSKLNVPVQMGENW Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.26129 Ang O(130) at 20.873 7.628 12.28 in (null):I-9999 (18) and CG(135) at 20.6278 8.21503 10.11 in (null):N-9999 (19) neighbor-bump: 2.65085 Ang CG2(128) at 20.4016 4.13597 11.1349 in (null):I-9999 (18) and N(132) at 22.222 6.028 11.5 in (null):N-9999 (19) other bump:2.0591 Ang CG1(34) at 15.4865 1.38159 12.6126 in (null):V-9999 (5) and CD2(112) at 15.065 2.01454 14.5261 in (null):L-9999 (16) self-bump: 1.379 Ang CA(87) at 7.591 5.367 22.082 in (null):Q-9999 (13) and CB(88) at 6.90836 5.93663 23.1361 in (null):Q-9999 (13) other bump:2.50867 Ang O(55) at 10.248 -0.762 17.526 in (null):A-9999 (8) and ND1(81) at 10.9612 -0.217954 19.8688 in (null):H-9999 (12) other bump:2.72007 Ang CG(5) at 16.929 -5.612 8.788 in (null):D-9999 (1) and CB(28) at 15.2572 -5.27734 10.9074 in (null):A-9999 (4) other bump:2.26338 Ang OD2(7) at 16.745 -6.446 9.665 in (null):D-9999 (1) and CB(28) at 15.2572 -5.27734 10.9074 in (null):A-9999 (4) T0147_twice 172 :NCREVAAAVRDAGGWVALGSDSHTAFTMGEFEECLKILDAVDFPP 2mnr 250 :LGPEEMFKALSIGACRLAMPDAMKIGGVTGWIRASALAQQFGIPM Fragment has 127 clashes (null) has 127 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.44929 Ang O(321) at 15.696 15.581 11.338 in (null):F-9999 (43) and CD(334) at 17.6676 16.6814 12.2871 in (null):P-9999 (45) other bump:3.1334 Ang CB(278) at 17.2155 15.4561 8.14952 in (null):L-9999 (38) and CG(333) at 18.2345 16.0321 11.0561 in (null):P-9999 (45) other bump:2.7259 Ang CD1(280) at 19.381 14.5968 9.04213 in (null):L-9999 (38) and CG(333) at 18.2345 16.0321 11.0561 in (null):P-9999 (45) other bump:2.68855 Ang CD1(280) at 19.381 14.5968 9.04213 in (null):L-9999 (38) and CB(332) at 19.6719 15.8248 11.4161 in (null):P-9999 (45) other bump:0.450785 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:2.67605 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:1.59455 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:2.35041 Ang NH1(72) at 12.7862 8.40231 9.53849 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:2.68684 Ang CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:1.08733 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:2.67931 Ang O(302) at 10.263 13.292 8.646 in (null):V-9999 (41) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:2.24729 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:1.90328 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:3.14375 Ang NH1(72) at 12.7862 8.40231 9.53849 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:2.7609 Ang CB(299) at 12.3768 12.8691 6.24259 in (null):V-9999 (41) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:1.38757 Ang CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:1.67204 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:3.10822 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:1.97591 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:2.18539 Ang NH1(72) at 12.7862 8.40231 9.53849 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:2.19035 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:3.15886 Ang C(303) at 10.765 14.161 7.93 in (null):V-9999 (41) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.34621 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.47028 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.82239 Ang CB(299) at 12.3768 12.8691 6.24259 in (null):V-9999 (41) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:1.93065 Ang CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.53656 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CD1(316) at 12.7241 10.9062 11.0109 in (null):F-9999 (43) other bump:3.18252 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CD1(316) at 12.7241 10.9062 11.0109 in (null):F-9999 (43) other bump:2.53225 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CD1(316) at 12.7241 10.9062 11.0109 in (null):F-9999 (43) other bump:2.85187 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CG(315) at 13.3051 11.892 10.2124 in (null):F-9999 (43) other bump:2.43687 Ang CD1(127) at 16.4515 11.6082 10.5036 in (null):L-9999 (18) and CB(314) at 14.352 12.8156 10.7729 in (null):F-9999 (43) other bump:2.31066 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) other bump:2.48421 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) other bump:2.771 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) other bump:2.49651 Ang CD2(128) at 17.9791 10.5879 8.69345 in (null):L-9999 (18) and CD2(281) at 17.4722 13.0324 8.6824 in (null):L-9999 (38) other bump:2.82535 Ang CG(126) at 17.6546 10.6557 10.1993 in (null):L-9999 (18) and CD2(281) at 17.4722 13.0324 8.6824 in (null):L-9999 (38) other bump:2.52725 Ang CD1(127) at 16.4515 11.6082 10.5036 in (null):L-9999 (18) and CD2(281) at 17.4722 13.0324 8.6824 in (null):L-9999 (38) other bump:2.71054 Ang CE1(222) at 25.2172 19.367 8.2478 in (null):F-9999 (31) and CD1(255) at 23.0741 20.3908 6.94164 in (null):L-9999 (35) other bump:2.90866 Ang CG(19) at 23.1833 13.093 1.14526 in (null):R-9999 (3) and SG(248) at 23.6533 13.229 4.01247 in (null):C-9999 (34) other bump:3.02584 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and N(245) at 21.997 15.559 2.796 in (null):C-9999 (34) other bump:2.68811 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and N(245) at 21.997 15.559 2.796 in (null):C-9999 (34) other bump:3.14841 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:2.25998 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:2.83441 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:2.90527 Ang NH2(24) at 20.1942 16.1129 -0.766164 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:1.70214 Ang NH1(23) at 22.1352 15.8748 -1.95309 in (null):R-9999 (3) and OE1(241) at 23.0652 14.8832 -2.97729 in (null):E-9999 (33) other bump:3.09313 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CD(240) at 23.7611 15.7409 -2.42038 in (null):E-9999 (33) other bump:2.81585 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and CD(240) at 23.7611 15.7409 -2.42038 in (null):E-9999 (33) other bump:1.69702 Ang NH1(23) at 22.1352 15.8748 -1.95309 in (null):R-9999 (3) and CD(240) at 23.7611 15.7409 -2.42038 in (null):E-9999 (33) other bump:2.90308 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CG(239) at 23.0768 16.693 -1.43415 in (null):E-9999 (33) other bump:2.64175 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and CG(239) at 23.0768 16.693 -1.43415 in (null):E-9999 (33) other bump:1.85235 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:1.33339 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:1.41084 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:1.85121 Ang NH1(23) at 22.1352 15.8748 -1.95309 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:2.47342 Ang NH2(24) at 20.1942 16.1129 -0.766164 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:2.97129 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.17305 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.2383 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.57434 Ang NH2(24) at 20.1942 16.1129 -0.766164 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.73099 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and O(214) at 24.737 15.339 2.353 in (null):E-9999 (30) other bump:2.35817 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and OE1(212) at 26.0994 12.6538 -0.806096 in (null):E-9999 (30) other bump:2.64099 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and CD(211) at 27.291 12.9998 -0.925587 in (null):E-9999 (30) other bump:2.11907 Ang CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) and CD(211) at 27.291 12.9998 -0.925587 in (null):E-9999 (30) other bump:2.25343 Ang CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) and CD(211) at 27.291 12.9998 -0.925587 in (null):E-9999 (30) other bump:2.57025 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:2.32792 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:0.868925 Ang CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:1.88605 Ang CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:3.08367 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:3.09853 Ang N(177) at 29.449 11.619 2.747 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:2.26225 Ang CA(178) at 29.915 12.315 1.537 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:2.87699 Ang C(187) at 30.529 13.696 1.811 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:3.07746 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.00986 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.09712 Ang CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.97562 Ang CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.80852 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:3.17191 Ang N(177) at 29.449 11.619 2.747 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.84902 Ang CA(178) at 29.915 12.315 1.537 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:3.10154 Ang C(187) at 30.529 13.696 1.811 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) neighbor-bump: 2.25271 Ang CG2(191) at 32.8442 16.9816 4.40693 in (null):T-9999 (27) and N(195) at 31.027 17.617 3.237 in (null):M-9999 (28) self-bump: 1.26808 Ang CA(189) at 31.623 15.221 3.362 in (null):T-9999 (27) and CB(190) at 32.7677 15.7333 3.54966 in (null):T-9999 (27) other bump:1.78768 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:0.654383 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:2.41753 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:3.24603 Ang C(9) at 26.52 6.45 1.751 in (null):N-9999 (1) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:2.68585 Ang N(10) at 26.554 7.761 1.949 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:3.06385 Ang C(15) at 24.5 9.043 1.333 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:1.26702 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:1.41753 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:3.062 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:2.39883 Ang N(16) at 23.949 10.173 0.868 in (null):R-9999 (3) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:2.59183 Ang N(10) at 26.554 7.761 1.949 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:2.12662 Ang C(15) at 24.5 9.043 1.333 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:3.01394 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CE1(183) at 28.1864 9.00726 -1.03109 in (null):F-9999 (26) other bump:2.03022 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CE1(183) at 28.1864 9.00726 -1.03109 in (null):F-9999 (26) other bump:2.37967 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) other bump:2.67608 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) other bump:3.04698 Ang C(15) at 24.5 9.043 1.333 in (null):C-9999 (2) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) neighbor-bump: 1.8901 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) neighbor-bump: 2.78022 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) neighbor-bump: 2.24244 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) neighbor-bump: 2.83737 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) neighbor-bump: 2.29488 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) other bump:3.15089 Ang C(1) at 25.949 5.907 4.89 in (null):G-9999 (0) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:2.5135 Ang O(0) at 26.608 6.901 5.246 in (null):G-9999 (0) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:2.50608 Ang CG(5) at 29.1787 4.56451 3.73539 in (null):N-9999 (1) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:1.32318 Ang OD1(7) at 29.0303 5.18587 4.78433 in (null):N-9999 (1) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:2.72047 Ang OD1(7) at 29.0303 5.18587 4.78433 in (null):N-9999 (1) and CB(167) at 29.7948 7.31666 6.29306 in (null):T-9999 (24) other bump:2.05386 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and C(122) at 17.239 9.98 13.622 in (null):A-9999 (17) other bump:2.08624 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and C(122) at 17.239 9.98 13.622 in (null):A-9999 (17) other bump:2.32209 Ang CG(100) at 16.256 6.70846 13.4369 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:1.0396 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:2.81768 Ang CE2(103) at 17.3328 7.02244 15.4257 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:1.6066 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:2.60224 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and CB(120) at 16.813 10.419 16.038 in (null):A-9999 (17) other bump:2.68958 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and CA(119) at 16.191 10.446 14.607 in (null):A-9999 (17) other bump:2.48401 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and CA(119) at 16.191 10.446 14.607 in (null):A-9999 (17) other bump:2.38667 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and N(118) at 15.051 9.528 14.477 in (null):A-9999 (17) other bump:2.59638 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and N(118) at 15.051 9.528 14.477 in (null):A-9999 (17) other bump:2.06559 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and OE2(33) at 25.247 6.882 -3.029 in (null):E-9999 (4) other bump:2.67092 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and OE1(32) at 24.288 8.613 -2.182 in (null):E-9999 (4) other bump:2.20826 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and OE1(32) at 24.288 8.613 -2.182 in (null):E-9999 (4) other bump:1.88677 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CD(31) at 24.261 7.43 -2.533 in (null):E-9999 (4) other bump:2.68306 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CG(30) at 22.987 6.593 -2.362 in (null):E-9999 (4) neighbor-bump: 2.20895 Ang O(8) at 25.951 5.915 0.799 in (null):N-9999 (1) and SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) Number of specific fragments= 10 total=327 Number of alignments=23 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/2mnr/T0147_twice-2mnr-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 2mnr read from /projects/compbio/experiments/casp5/t0147/t0147_twice/2mnr/T0147_twice-2mnr-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 2mnr in template set T0147_twice 13 :STHAYSTLSDYIAQAKQKGIKLF 2mnr 141 :SLDGVKLATERAVTAAELGFRAV Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.4182 Ang O(95) at 28.834 12.368 34.191 in (null):I-9999 (12) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:3.27327 Ang C(96) at 29.197 11.229 34.512 in (null):I-9999 (12) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:2.81303 Ang N(116) at 29.229 15.267 33.604 in (null):K-9999 (16) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:2.81511 Ang CA(112) at 31.009 14.58 32.029 in (null):A-9999 (15) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:1.9549 Ang CB(113) at 30.248 13.723 31.028 in (null):A-9999 (15) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:2.95844 Ang C(115) at 30.042 15.603 32.614 in (null):A-9999 (15) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:2.72801 Ang O(95) at 28.834 12.368 34.191 in (null):I-9999 (12) and CE2(179) at 27.2405 12.856 32.0312 in (null):F-9999 (23) other bump:2.91719 Ang CA(112) at 31.009 14.58 32.029 in (null):A-9999 (15) and CE1(178) at 29.3339 12.4726 30.9051 in (null):F-9999 (23) other bump:1.55373 Ang CB(113) at 30.248 13.723 31.028 in (null):A-9999 (15) and CE1(178) at 29.3339 12.4726 30.9051 in (null):F-9999 (23) other bump:2.83332 Ang CB(113) at 30.248 13.723 31.028 in (null):A-9999 (15) and CD1(176) at 28.6959 11.5714 30.0333 in (null):F-9999 (23) other bump:2.62821 Ang CG2(151) at 27.5558 16.0265 28.2794 in (null):I-9999 (20) and O(170) at 26.202 13.849 27.702 in (null):L-9999 (22) other bump:2.88227 Ang CB(17) at 32.4408 1.89044 30.4398 in (null):H-9999 (3) and CD2(60) at 29.8574 3.13865 30.165 in (null):L-9999 (8) other bump:3.12861 Ang CB(17) at 32.4408 1.89044 30.4398 in (null):H-9999 (3) and CG(58) at 29.4827 2.29231 31.3757 in (null):L-9999 (8) neighbor-bump: 2.37382 Ang CB(27) at 30.2594 -2.77993 33.4062 in (null):A-9999 (4) and N(30) at 29.292 -1.113 34.792 in (null):Y-9999 (5) self-bump: 2.15509 Ang CB(27) at 30.2594 -2.77993 33.4062 in (null):A-9999 (4) and C(29) at 30.007 -0.671 33.771 in (null):A-9999 (4) self-bump: 1.24199 Ang CA(26) at 30.585 -1.723 32.841 in (null):A-9999 (4) and CB(27) at 30.2594 -2.77993 33.4062 in (null):A-9999 (4) other bump:2.91119 Ang CB(4) at 33.009 2.714 24.962 in (null):S-9999 (1) and NE2(22) at 33.6643 3.86745 27.5534 in (null):H-9999 (3) other bump:2.2079 Ang OG(5) at 34.084 2.492 25.878 in (null):S-9999 (1) and NE2(22) at 33.6643 3.86745 27.5534 in (null):H-9999 (3) other bump:2.25289 Ang OG(5) at 34.084 2.492 25.878 in (null):S-9999 (1) and CE1(21) at 34.7216 3.18438 27.9248 in (null):H-9999 (3) other bump:2.4127 Ang N(2) at 31.808 4.316 26.27 in (null):S-9999 (1) and CD2(19) at 32.6387 3.50027 28.3832 in (null):H-9999 (3) other bump:3.01712 Ang CA(3) at 31.64 3.05 25.572 in (null):S-9999 (1) and CD2(19) at 32.6387 3.50027 28.3832 in (null):H-9999 (3) other bump:3.00622 Ang C(7) at 31.053 1.891 26.4 in (null):S-9999 (1) and CD2(19) at 32.6387 3.50027 28.3832 in (null):H-9999 (3) self-bump: 1.32145 Ang CA(9) at 30.769 -0.478 26.897 in (null):T-9999 (2) and CB(10) at 29.9131 -1.34303 26.3818 in (null):T-9999 (2) T0147_twice 41 :GPDMEDAPHHWHFINMRIW 2mnr 164 :KTKIGYPALDQDLAVVRSI Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.27942 Ang ND1(63) at 16.8351 -5.53308 28.8973 in (null):H-9999 (9) and CZ(110) at 15.66 -4.45489 30.5259 in (null):F-9999 (13) other bump:1.21609 Ang CE1(64) at 15.9661 -4.65045 29.3653 in (null):H-9999 (9) and CZ(110) at 15.66 -4.45489 30.5259 in (null):F-9999 (13) other bump:2.61761 Ang CG(61) at 16.8524 -6.6423 29.7225 in (null):H-9999 (9) and CZ(110) at 15.66 -4.45489 30.5259 in (null):F-9999 (13) other bump:1.96549 Ang CD2(62) at 15.9512 -6.39032 30.706 in (null):H-9999 (9) and CZ(110) at 15.66 -4.45489 30.5259 in (null):F-9999 (13) other bump:0.736033 Ang NE2(65) at 15.4165 -5.14647 30.461 in (null):H-9999 (9) and CZ(110) at 15.66 -4.45489 30.5259 in (null):F-9999 (13) other bump:2.69392 Ang ND1(63) at 16.8351 -5.53308 28.8973 in (null):H-9999 (9) and CE2(109) at 16.3062 -3.24582 30.2186 in (null):F-9999 (13) other bump:1.67835 Ang CE1(64) at 15.9661 -4.65045 29.3653 in (null):H-9999 (9) and CE2(109) at 16.3062 -3.24582 30.2186 in (null):F-9999 (13) other bump:2.11252 Ang NE2(65) at 15.4165 -5.14647 30.461 in (null):H-9999 (9) and CE2(109) at 16.3062 -3.24582 30.2186 in (null):F-9999 (13) other bump:3.02114 Ang ND1(63) at 16.8351 -5.53308 28.8973 in (null):H-9999 (9) and CE1(108) at 15.8911 -5.11698 31.7368 in (null):F-9999 (13) other bump:2.41816 Ang CE1(64) at 15.9661 -4.65045 29.3653 in (null):H-9999 (9) and CE1(108) at 15.8911 -5.11698 31.7368 in (null):F-9999 (13) other bump:2.70334 Ang CG(61) at 16.8524 -6.6423 29.7225 in (null):H-9999 (9) and CE1(108) at 15.8911 -5.11698 31.7368 in (null):F-9999 (13) other bump:1.6394 Ang CD2(62) at 15.9512 -6.39032 30.706 in (null):H-9999 (9) and CE1(108) at 15.8911 -5.11698 31.7368 in (null):F-9999 (13) other bump:1.36153 Ang NE2(65) at 15.4165 -5.14647 30.461 in (null):H-9999 (9) and CE1(108) at 15.8911 -5.11698 31.7368 in (null):F-9999 (13) other bump:2.77873 Ang CD2(62) at 15.9512 -6.39032 30.706 in (null):H-9999 (9) and CD1(106) at 16.7786 -4.57559 32.6408 in (null):F-9999 (13) other bump:2.63298 Ang NE2(65) at 15.4165 -5.14647 30.461 in (null):H-9999 (9) and CD1(106) at 16.7786 -4.57559 32.6408 in (null):F-9999 (13) other bump:2.04048 Ang CA(30) at 24.38 -5.093 24.621 in (null):E-9999 (5) and NE2(99) at 23.4489 -4.89747 26.4261 in (null):H-9999 (12) other bump:1.70048 Ang N(29) at 24.343 -3.87 25.408 in (null):E-9999 (5) and NE2(99) at 23.4489 -4.89747 26.4261 in (null):H-9999 (12) other bump:2.39235 Ang C(37) at 25.207 -6.124 25.364 in (null):E-9999 (5) and NE2(99) at 23.4489 -4.89747 26.4261 in (null):H-9999 (12) other bump:2.02291 Ang N(38) at 25.004 -6.169 26.665 in (null):D-9999 (6) and NE2(99) at 23.4489 -4.89747 26.4261 in (null):H-9999 (12) other bump:2.31491 Ang CA(30) at 24.38 -5.093 24.621 in (null):E-9999 (5) and CE1(98) at 23.3062 -3.63889 26.0672 in (null):H-9999 (12) other bump:1.25012 Ang N(29) at 24.343 -3.87 25.408 in (null):E-9999 (5) and CE1(98) at 23.3062 -3.63889 26.0672 in (null):H-9999 (12) other bump:3.20674 Ang C(37) at 25.207 -6.124 25.364 in (null):E-9999 (5) and CE1(98) at 23.3062 -3.63889 26.0672 in (null):H-9999 (12) other bump:2.76237 Ang CA(22) at 25.165 -1.598 25.965 in (null):M-9999 (4) and CE1(98) at 23.3062 -3.63889 26.0672 in (null):H-9999 (12) other bump:2.41607 Ang CB(23) at 23.5036 -1.2503 25.762 in (null):M-9999 (4) and CE1(98) at 23.3062 -3.63889 26.0672 in (null):H-9999 (12) other bump:2.19742 Ang C(28) at 25.066 -2.81 25.045 in (null):M-9999 (4) and CE1(98) at 23.3062 -3.63889 26.0672 in (null):H-9999 (12) other bump:2.53364 Ang N(29) at 24.343 -3.87 25.408 in (null):E-9999 (5) and ND1(97) at 22.5615 -3.00945 26.9908 in (null):H-9999 (12) other bump:3.13408 Ang CA(22) at 25.165 -1.598 25.965 in (null):M-9999 (4) and ND1(97) at 22.5615 -3.00945 26.9908 in (null):H-9999 (12) other bump:2.34349 Ang CB(23) at 23.5036 -1.2503 25.762 in (null):M-9999 (4) and ND1(97) at 22.5615 -3.00945 26.9908 in (null):H-9999 (12) other bump:3.17776 Ang C(28) at 25.066 -2.81 25.045 in (null):M-9999 (4) and ND1(97) at 22.5615 -3.00945 26.9908 in (null):H-9999 (12) other bump:2.64036 Ang N(38) at 25.004 -6.169 26.665 in (null):D-9999 (6) and CD2(96) at 22.7927 -5.09797 27.6318 in (null):H-9999 (12) neighbor-bump: 2.83852 Ang CB(48) at 25.834 -11.877 28.362 in (null):A-9999 (7) and CD(55) at 24.1754 -10.6892 30.3357 in (null):P-9999 (8) T0147_twice 60 :PRVVDGVGIL 2mnr 184 :QAVGDDFGIM Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.60926 Ang CG2(24) at 22.892 10.999 35.303 in (null):V-9999 (3) and CG1(49) at 21.1105 12.164 33.794 in (null):V-9999 (7) neighbor-bump: 2.44589 Ang O(25) at 21.965 13.947 37.292 in (null):V-9999 (3) and CG2(31) at 21.0635 14.741 39.4225 in (null):V-9999 (4) neighbor-bump: 2.83019 Ang C(26) at 22.147 12.79 37.682 in (null):V-9999 (3) and CG2(31) at 21.0635 14.741 39.4225 in (null):V-9999 (4) neighbor-bump: 2.14855 Ang O(25) at 21.965 13.947 37.292 in (null):V-9999 (3) and CB(29) at 20.1093 14.3022 38.3149 in (null):V-9999 (4) neighbor-bump: 2.61527 Ang C(26) at 22.147 12.79 37.682 in (null):V-9999 (3) and CB(29) at 20.1093 14.3022 38.3149 in (null):V-9999 (4) T0147_twice 74 :ANIKN 2mnr 194 :VDYNQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.55153 Ang CG(10) at 25.9455 2.67473 20.084 in (null):N-9999 (2) and CE(28) at 28.4446 2.34812 19.6863 in (null):K-9999 (4) other bump:2.07351 Ang ND2(11) at 26.7514 3.52525 19.4694 in (null):N-9999 (2) and CE(28) at 28.4446 2.34812 19.6863 in (null):K-9999 (4) other bump:2.62111 Ang OD1(12) at 25.7292 1.54545 19.645 in (null):N-9999 (2) and CG(26) at 27.7775 -0.0878216 19.5619 in (null):K-9999 (4) T0147_twice 107 :PHDKATNTQAM 2mnr 199 :SLDVPAAIKRS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:3.06704 Ang CG(51) at 16.3451 -3.4784 19.0835 in (null):N-9999 (7) and SD(81) at 14.7575 -1.02527 20.0152 in (null):M-9999 (11) other bump:2.55523 Ang ND2(52) at 15.6101 -2.72622 18.3097 in (null):N-9999 (7) and SD(81) at 14.7575 -1.02527 20.0152 in (null):M-9999 (11) other bump:3.16666 Ang OD1(53) at 17.2143 -3.01294 19.8128 in (null):N-9999 (7) and SD(81) at 14.7575 -1.02527 20.0152 in (null):M-9999 (11) T0147_twice 119 :ATIASGNVHIISHPGNPK 2mnr 210 :QALQQEGVTWIEEPTLQH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:3.1861 Ang CG2(18) at 16.8109 1.81964 27.4152 in (null):I-9999 (3) and CG1(48) at 17.729 4.66 28.529 in (null):V-9999 (8) T0147_twice 140 :DVKAVAEAAAKHQVALEINNSS 2mnr 228 :DYEGHQRIQSKLNVPVQMGENW Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.26129 Ang O(130) at 20.873 7.628 12.28 in (null):I-9999 (18) and CG(135) at 20.6278 8.21503 10.11 in (null):N-9999 (19) neighbor-bump: 2.65085 Ang CG2(128) at 20.4016 4.13597 11.1349 in (null):I-9999 (18) and N(132) at 22.222 6.028 11.5 in (null):N-9999 (19) other bump:2.0591 Ang CG1(34) at 15.4865 1.38159 12.6126 in (null):V-9999 (5) and CD2(112) at 15.065 2.01454 14.5261 in (null):L-9999 (16) self-bump: 1.379 Ang CA(87) at 7.591 5.367 22.082 in (null):Q-9999 (13) and CB(88) at 6.90836 5.93663 23.1361 in (null):Q-9999 (13) other bump:2.50867 Ang O(55) at 10.248 -0.762 17.526 in (null):A-9999 (8) and ND1(81) at 10.9612 -0.217954 19.8688 in (null):H-9999 (12) other bump:2.72007 Ang CG(5) at 16.929 -5.612 8.788 in (null):D-9999 (1) and CB(28) at 15.2572 -5.27734 10.9074 in (null):A-9999 (4) other bump:2.26338 Ang OD2(7) at 16.745 -6.446 9.665 in (null):D-9999 (1) and CB(28) at 15.2572 -5.27734 10.9074 in (null):A-9999 (4) T0147_twice 172 :NCREVAAAVRDAGGWVALGSDSHTAFTMGEFEECLKILDAVDFP 2mnr 250 :LGPEEMFKALSIGACRLAMPDAMKIGGVTGWIRASALAQQFGIP Fragment has 123 clashes (null) has 123 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 46 residues other bump:0.450785 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:2.67605 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:1.59455 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:2.35041 Ang NH1(72) at 12.7862 8.40231 9.53849 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:2.68684 Ang CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:1.08733 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:2.67931 Ang O(302) at 10.263 13.292 8.646 in (null):V-9999 (41) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:2.24729 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:1.90328 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:3.14375 Ang NH1(72) at 12.7862 8.40231 9.53849 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:2.7609 Ang CB(299) at 12.3768 12.8691 6.24259 in (null):V-9999 (41) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:1.38757 Ang CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:1.67204 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:3.10822 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:1.97591 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:2.18539 Ang NH1(72) at 12.7862 8.40231 9.53849 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:2.19035 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:3.15886 Ang C(303) at 10.765 14.161 7.93 in (null):V-9999 (41) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.34621 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.47028 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.82239 Ang CB(299) at 12.3768 12.8691 6.24259 in (null):V-9999 (41) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:1.93065 Ang CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.53656 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CD1(316) at 12.7241 10.9062 11.0109 in (null):F-9999 (43) other bump:3.18252 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CD1(316) at 12.7241 10.9062 11.0109 in (null):F-9999 (43) other bump:2.53225 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CD1(316) at 12.7241 10.9062 11.0109 in (null):F-9999 (43) other bump:2.85187 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CG(315) at 13.3051 11.892 10.2124 in (null):F-9999 (43) other bump:2.43687 Ang CD1(127) at 16.4515 11.6082 10.5036 in (null):L-9999 (18) and CB(314) at 14.352 12.8156 10.7729 in (null):F-9999 (43) other bump:2.31066 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) other bump:2.48421 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) other bump:2.771 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) other bump:2.49651 Ang CD2(128) at 17.9791 10.5879 8.69345 in (null):L-9999 (18) and CD2(281) at 17.4722 13.0324 8.6824 in (null):L-9999 (38) other bump:2.82535 Ang CG(126) at 17.6546 10.6557 10.1993 in (null):L-9999 (18) and CD2(281) at 17.4722 13.0324 8.6824 in (null):L-9999 (38) other bump:2.52725 Ang CD1(127) at 16.4515 11.6082 10.5036 in (null):L-9999 (18) and CD2(281) at 17.4722 13.0324 8.6824 in (null):L-9999 (38) other bump:2.71054 Ang CE1(222) at 25.2172 19.367 8.2478 in (null):F-9999 (31) and CD1(255) at 23.0741 20.3908 6.94164 in (null):L-9999 (35) other bump:2.90866 Ang CG(19) at 23.1833 13.093 1.14526 in (null):R-9999 (3) and SG(248) at 23.6533 13.229 4.01247 in (null):C-9999 (34) other bump:3.02584 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and N(245) at 21.997 15.559 2.796 in (null):C-9999 (34) other bump:2.68811 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and N(245) at 21.997 15.559 2.796 in (null):C-9999 (34) other bump:3.14841 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:2.25998 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:2.83441 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:2.90527 Ang NH2(24) at 20.1942 16.1129 -0.766164 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:1.70214 Ang NH1(23) at 22.1352 15.8748 -1.95309 in (null):R-9999 (3) and OE1(241) at 23.0652 14.8832 -2.97729 in (null):E-9999 (33) other bump:3.09313 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CD(240) at 23.7611 15.7409 -2.42038 in (null):E-9999 (33) other bump:2.81585 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and CD(240) at 23.7611 15.7409 -2.42038 in (null):E-9999 (33) other bump:1.69702 Ang NH1(23) at 22.1352 15.8748 -1.95309 in (null):R-9999 (3) and CD(240) at 23.7611 15.7409 -2.42038 in (null):E-9999 (33) other bump:2.90308 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CG(239) at 23.0768 16.693 -1.43415 in (null):E-9999 (33) other bump:2.64175 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and CG(239) at 23.0768 16.693 -1.43415 in (null):E-9999 (33) other bump:1.85235 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:1.33339 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:1.41084 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:1.85121 Ang NH1(23) at 22.1352 15.8748 -1.95309 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:2.47342 Ang NH2(24) at 20.1942 16.1129 -0.766164 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:2.97129 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.17305 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.2383 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.57434 Ang NH2(24) at 20.1942 16.1129 -0.766164 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.73099 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and O(214) at 24.737 15.339 2.353 in (null):E-9999 (30) other bump:2.35817 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and OE1(212) at 26.0994 12.6538 -0.806096 in (null):E-9999 (30) other bump:2.64099 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and CD(211) at 27.291 12.9998 -0.925587 in (null):E-9999 (30) other bump:2.11907 Ang CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) and CD(211) at 27.291 12.9998 -0.925587 in (null):E-9999 (30) other bump:2.25343 Ang CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) and CD(211) at 27.291 12.9998 -0.925587 in (null):E-9999 (30) other bump:2.57025 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:2.32792 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:0.868925 Ang CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:1.88605 Ang CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:3.08367 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:3.09853 Ang N(177) at 29.449 11.619 2.747 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:2.26225 Ang CA(178) at 29.915 12.315 1.537 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:2.87699 Ang C(187) at 30.529 13.696 1.811 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:3.07746 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.00986 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.09712 Ang CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.97562 Ang CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.80852 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:3.17191 Ang N(177) at 29.449 11.619 2.747 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.84902 Ang CA(178) at 29.915 12.315 1.537 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:3.10154 Ang C(187) at 30.529 13.696 1.811 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) neighbor-bump: 2.25271 Ang CG2(191) at 32.8442 16.9816 4.40693 in (null):T-9999 (27) and N(195) at 31.027 17.617 3.237 in (null):M-9999 (28) self-bump: 1.26808 Ang CA(189) at 31.623 15.221 3.362 in (null):T-9999 (27) and CB(190) at 32.7677 15.7333 3.54966 in (null):T-9999 (27) other bump:1.78768 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:0.654383 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:2.41753 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:3.24603 Ang C(9) at 26.52 6.45 1.751 in (null):N-9999 (1) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:2.68585 Ang N(10) at 26.554 7.761 1.949 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:3.06385 Ang C(15) at 24.5 9.043 1.333 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:1.26702 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:1.41753 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:3.062 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:2.39883 Ang N(16) at 23.949 10.173 0.868 in (null):R-9999 (3) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:2.59183 Ang N(10) at 26.554 7.761 1.949 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:2.12662 Ang C(15) at 24.5 9.043 1.333 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:3.01394 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CE1(183) at 28.1864 9.00726 -1.03109 in (null):F-9999 (26) other bump:2.03022 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CE1(183) at 28.1864 9.00726 -1.03109 in (null):F-9999 (26) other bump:2.37967 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) other bump:2.67608 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) other bump:3.04698 Ang C(15) at 24.5 9.043 1.333 in (null):C-9999 (2) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) neighbor-bump: 1.8901 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) neighbor-bump: 2.78022 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) neighbor-bump: 2.24244 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) neighbor-bump: 2.83737 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) neighbor-bump: 2.29488 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) other bump:3.15089 Ang C(1) at 25.949 5.907 4.89 in (null):G-9999 (0) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:2.5135 Ang O(0) at 26.608 6.901 5.246 in (null):G-9999 (0) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:2.50608 Ang CG(5) at 29.1787 4.56451 3.73539 in (null):N-9999 (1) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:1.32318 Ang OD1(7) at 29.0303 5.18587 4.78433 in (null):N-9999 (1) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:2.72047 Ang OD1(7) at 29.0303 5.18587 4.78433 in (null):N-9999 (1) and CB(167) at 29.7948 7.31666 6.29306 in (null):T-9999 (24) other bump:2.05386 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and C(122) at 17.239 9.98 13.622 in (null):A-9999 (17) other bump:2.08624 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and C(122) at 17.239 9.98 13.622 in (null):A-9999 (17) other bump:2.32209 Ang CG(100) at 16.256 6.70846 13.4369 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:1.0396 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:2.81768 Ang CE2(103) at 17.3328 7.02244 15.4257 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:1.6066 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:2.60224 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and CB(120) at 16.813 10.419 16.038 in (null):A-9999 (17) other bump:2.68958 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and CA(119) at 16.191 10.446 14.607 in (null):A-9999 (17) other bump:2.48401 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and CA(119) at 16.191 10.446 14.607 in (null):A-9999 (17) other bump:2.38667 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and N(118) at 15.051 9.528 14.477 in (null):A-9999 (17) other bump:2.59638 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and N(118) at 15.051 9.528 14.477 in (null):A-9999 (17) other bump:2.06559 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and OE2(33) at 25.247 6.882 -3.029 in (null):E-9999 (4) other bump:2.67092 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and OE1(32) at 24.288 8.613 -2.182 in (null):E-9999 (4) other bump:2.20826 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and OE1(32) at 24.288 8.613 -2.182 in (null):E-9999 (4) other bump:1.88677 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CD(31) at 24.261 7.43 -2.533 in (null):E-9999 (4) other bump:2.68306 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CG(30) at 22.987 6.593 -2.362 in (null):E-9999 (4) neighbor-bump: 2.20895 Ang O(8) at 25.951 5.915 0.799 in (null):N-9999 (1) and SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) Number of specific fragments= 8 total=335 Number of alignments=24 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1qfeA/T0147_twice-1qfeA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1qfeA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1qfeA/T0147_twice-1qfeA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # adding 1qfeA to template set 1qfeA:Skipped atom 1836, because occupancy 0.5 <= existing 0.500001 Skipped atom 1838, because occupancy 0.5 <= existing 0.500001 Skipped atom 1840, because occupancy 0.5 <= existing 0.500001 Skipped atom 1842, because occupancy 0.5 <= existing 0.500001 # found chain 1qfeA in template set T0147_twice 1 :MYPV 1qfeA 1 :MKTV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues other bump:2.95944 Ang CE2(15) at 18.6627 38.4052 52.1191 in (null):Y-9999 (1) and CG2(31) at 17.852 35.58 51.774 in (null):V-9999 (3) neighbor-bump: 3.25026 Ang CE2(15) at 18.6627 38.4052 52.1191 in (null):Y-9999 (1) and C(26) at 20.587 36.979 49.922 in (null):P-9999 (2) neighbor-bump: 3.2157 Ang CZ(16) at 19.9326 38.5879 52.6283 in (null):Y-9999 (1) and C(26) at 20.587 36.979 49.922 in (null):P-9999 (2) neighbor-bump: 2.42373 Ang CE2(15) at 18.6627 38.4052 52.1191 in (null):Y-9999 (1) and O(25) at 20.632 37.772 50.856 in (null):P-9999 (2) neighbor-bump: 2.21127 Ang CE1(14) at 20.7494 39.5827 52.1199 in (null):Y-9999 (1) and O(25) at 20.632 37.772 50.856 in (null):P-9999 (2) neighbor-bump: 2.07264 Ang CZ(16) at 19.9326 38.5879 52.6283 in (null):Y-9999 (1) and O(25) at 20.632 37.772 50.856 in (null):P-9999 (2) neighbor-bump: 2.63809 Ang CD1(12) at 20.2806 40.3753 51.0987 in (null):Y-9999 (1) and O(25) at 20.632 37.772 50.856 in (null):P-9999 (2) T0147_twice 10 :TVASTH 1qfeA 21 :SLMGRD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.42264 Ang OG1(31) at 5.07491 7.08712 60.3715 in (null):T-9999 (5) and ND1(39) at 5.21414 6.61418 62.7434 in (null):H-9999 (6) T0147_twice 17 :YSTLSDYIAQAKQKGIKLF 1qfeA 27 :INSVKAEALAYREATFDIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.51569 Ang CG2(23) at 9.49351 7.39865 57.5052 in (null):T-9999 (3) and CE2(56) at 9.80598 8.71471 55.3841 in (null):Y-9999 (7) T0147_twice 41 :GPDMEDAPHHWHFINMRIWPRVVDGVGILR 1qfeA 50 :DHFMDIASTQSVLTAARVIRDAMPDIPLLF Fragment has 45 clashes (null) has 45 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.68185 Ang CD2(96) at 9.35463 20.5647 65.8846 in (null):H-9999 (12) and NH2(249) at 8.48021 23.0467 65.3676 in (null):R-9999 (30) other bump:2.42699 Ang NE2(99) at 9.54225 21.0058 64.5949 in (null):H-9999 (12) and NH2(249) at 8.48021 23.0467 65.3676 in (null):R-9999 (30) other bump:2.73608 Ang NE2(99) at 9.54225 21.0058 64.5949 in (null):H-9999 (12) and CZ(247) at 9.32297 23.7331 64.5852 in (null):R-9999 (30) other bump:2.90362 Ang CG1(198) at 23.678 16.619 54.8505 in (null):V-9999 (23) and CG1(217) at 22.798 18.815 53.167 in (null):V-9999 (26) other bump:2.71033 Ang CD(141) at 19.71 15.872 69.281 in (null):R-9999 (17) and NH1(184) at 20.6978 13.3887 68.8302 in (null):R-9999 (21) other bump:2.735 Ang CE2(84) at 7.7822 11.723 66.2751 in (null):W-9999 (11) and ND2(125) at 9.67671 12.9005 64.6925 in (null):N-9999 (15) other bump:2.64611 Ang CZ2(87) at 7.42582 11.5308 64.9361 in (null):W-9999 (11) and ND2(125) at 9.67671 12.9005 64.6925 in (null):N-9999 (15) other bump:3.0505 Ang CH2(89) at 6.67308 12.5079 64.3326 in (null):W-9999 (11) and ND2(125) at 9.67671 12.9005 64.6925 in (null):N-9999 (15) other bump:2.44569 Ang ND1(73) at 11.3664 14.353 73.8209 in (null):H-9999 (10) and CD1(118) at 12.6145 13.4865 71.9044 in (null):I-9999 (14) other bump:2.51822 Ang CE1(74) at 12.5438 14.0684 74.3534 in (null):H-9999 (10) and CD1(118) at 12.6145 13.4865 71.9044 in (null):I-9999 (14) other bump:3.18211 Ang N(29) at 3.64 12.552 65.294 in (null):E-9999 (5) and CH2(89) at 6.67308 12.5079 64.3326 in (null):W-9999 (11) other bump:1.1673 Ang OD1(17) at 6.03955 13.2708 63.7169 in (null):D-9999 (3) and CH2(89) at 6.67308 12.5079 64.3326 in (null):W-9999 (11) other bump:2.12772 Ang OE1(34) at 5.57759 10.7118 64.6511 in (null):E-9999 (5) and CH2(89) at 6.67308 12.5079 64.3326 in (null):W-9999 (11) other bump:2.96284 Ang CB(31) at 5.28404 12.2137 66.9331 in (null):E-9999 (5) and CH2(89) at 6.67308 12.5079 64.3326 in (null):W-9999 (11) other bump:2.11633 Ang CG(16) at 6.53813 14.2944 63.2061 in (null):D-9999 (3) and CH2(89) at 6.67308 12.5079 64.3326 in (null):W-9999 (11) other bump:2.62655 Ang OD2(18) at 7.47248 14.9353 63.7265 in (null):D-9999 (3) and CH2(89) at 6.67308 12.5079 64.3326 in (null):W-9999 (11) other bump:2.86802 Ang N(29) at 3.64 12.552 65.294 in (null):E-9999 (5) and CZ3(88) at 6.27182 13.6611 65.0314 in (null):W-9999 (11) other bump:3.10643 Ang CA(30) at 3.787 12.85 66.71 in (null):E-9999 (5) and CZ3(88) at 6.27182 13.6611 65.0314 in (null):W-9999 (11) other bump:1.39079 Ang OD1(17) at 6.03955 13.2708 63.7169 in (null):D-9999 (3) and CZ3(88) at 6.27182 13.6611 65.0314 in (null):W-9999 (11) other bump:3.05364 Ang OE1(34) at 5.57759 10.7118 64.6511 in (null):E-9999 (5) and CZ3(88) at 6.27182 13.6611 65.0314 in (null):W-9999 (11) other bump:2.58592 Ang CB(31) at 5.28404 12.2137 66.9331 in (null):E-9999 (5) and CZ3(88) at 6.27182 13.6611 65.0314 in (null):W-9999 (11) other bump:1.95028 Ang CG(16) at 6.53813 14.2944 63.2061 in (null):D-9999 (3) and CZ3(88) at 6.27182 13.6611 65.0314 in (null):W-9999 (11) other bump:2.18353 Ang OD2(18) at 7.47248 14.9353 63.7265 in (null):D-9999 (3) and CZ3(88) at 6.27182 13.6611 65.0314 in (null):W-9999 (11) other bump:3.09943 Ang C(37) at 3.944 14.351 66.958 in (null):E-9999 (5) and CZ3(88) at 6.27182 13.6611 65.0314 in (null):W-9999 (11) other bump:2.5369 Ang OD1(17) at 6.03955 13.2708 63.7169 in (null):D-9999 (3) and CZ2(87) at 7.42582 11.5308 64.9361 in (null):W-9999 (11) other bump:2.74861 Ang CD(33) at 5.2204 10.0547 65.6516 in (null):E-9999 (5) and CZ2(87) at 7.42582 11.5308 64.9361 in (null):W-9999 (11) other bump:2.04155 Ang OE1(34) at 5.57759 10.7118 64.6511 in (null):E-9999 (5) and CZ2(87) at 7.42582 11.5308 64.9361 in (null):W-9999 (11) other bump:3.00692 Ang CB(31) at 5.28404 12.2137 66.9331 in (null):E-9999 (5) and CZ2(87) at 7.42582 11.5308 64.9361 in (null):W-9999 (11) other bump:3.15971 Ang CG(32) at 5.18036 10.7196 67.0058 in (null):E-9999 (5) and CZ2(87) at 7.42582 11.5308 64.9361 in (null):W-9999 (11) other bump:3.03119 Ang CA(30) at 3.787 12.85 66.71 in (null):E-9999 (5) and CE3(85) at 6.62658 13.8528 66.3647 in (null):W-9999 (11) other bump:2.77389 Ang OD1(17) at 6.03955 13.2708 63.7169 in (null):D-9999 (3) and CE3(85) at 6.62658 13.8528 66.3647 in (null):W-9999 (11) other bump:2.19366 Ang CB(31) at 5.28404 12.2137 66.9331 in (null):E-9999 (5) and CE3(85) at 6.62658 13.8528 66.3647 in (null):W-9999 (11) other bump:3.19052 Ang CG(16) at 6.53813 14.2944 63.2061 in (null):D-9999 (3) and CE3(85) at 6.62658 13.8528 66.3647 in (null):W-9999 (11) other bump:2.97443 Ang OD2(18) at 7.47248 14.9353 63.7265 in (null):D-9999 (3) and CE3(85) at 6.62658 13.8528 66.3647 in (null):W-9999 (11) other bump:2.62455 Ang O(36) at 4.67 14.759 67.861 in (null):E-9999 (5) and CE3(85) at 6.62658 13.8528 66.3647 in (null):W-9999 (11) other bump:2.79221 Ang C(37) at 3.944 14.351 66.958 in (null):E-9999 (5) and CE3(85) at 6.62658 13.8528 66.3647 in (null):W-9999 (11) other bump:3.12004 Ang CD(33) at 5.2204 10.0547 65.6516 in (null):E-9999 (5) and CE2(84) at 7.7822 11.723 66.2751 in (null):W-9999 (11) other bump:2.91891 Ang OE1(34) at 5.57759 10.7118 64.6511 in (null):E-9999 (5) and CE2(84) at 7.7822 11.723 66.2751 in (null):W-9999 (11) other bump:2.62957 Ang CB(31) at 5.28404 12.2137 66.9331 in (null):E-9999 (5) and CE2(84) at 7.7822 11.723 66.2751 in (null):W-9999 (11) other bump:2.88275 Ang CG(32) at 5.18036 10.7196 67.0058 in (null):E-9999 (5) and CE2(84) at 7.7822 11.723 66.2751 in (null):W-9999 (11) other bump:2.21299 Ang CB(31) at 5.28404 12.2137 66.9331 in (null):E-9999 (5) and CD2(83) at 7.39515 12.8733 67.0072 in (null):W-9999 (11) other bump:3.04182 Ang CB(31) at 5.28404 12.2137 66.9331 in (null):E-9999 (5) and CG(81) at 7.93566 12.7347 68.3296 in (null):W-9999 (11) self-bump: 1.3994 Ang CA(59) at 7.215 19.413 71.145 in (null):H-9999 (9) and CB(60) at 7.47012 20.6747 71.694 in (null):H-9999 (9) self-bump: 1.37917 Ang N(6) at 3.787 15.919 58.036 in (null):P-9999 (2) and CD(10) at 4.40176 16.7848 57.1559 in (null):P-9999 (2) neighbor-bump: 2.4184 Ang N(2) at 4.34 18.457 58.902 in (null):G-9999 (1) and CD(10) at 4.40176 16.7848 57.1559 in (null):P-9999 (2) T0147_twice 78 :NVDGE 1qfeA 85 :KEGGE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0147_twice 106 :APHDKATNTQAMIATIASGNVHIISHPGNPK 1qfeA 90 :QTITTQHYLTLNRAAIDSGLVDMIDLELFTG Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.39537 Ang CD(36) at -3.37854 32.3716 65.8205 in (null):K-9999 (5) and NZ(222) at -3.92544 34.5694 66.6007 in (null):K-9999 (31) other bump:2.61972 Ang CE(37) at -4.42806 32.0126 66.8717 in (null):K-9999 (5) and NZ(222) at -3.92544 34.5694 66.6007 in (null):K-9999 (31) other bump:2.24226 Ang NZ(38) at -5.52035 33.0276 66.9278 in (null):K-9999 (5) and NZ(222) at -3.92544 34.5694 66.6007 in (null):K-9999 (31) other bump:2.33542 Ang CD(36) at -3.37854 32.3716 65.8205 in (null):K-9999 (5) and CE(221) at -2.95814 34.6424 65.4722 in (null):K-9999 (31) neighbor-bump: 2.5255 Ang O(214) at -2.844 33.7 61.493 in (null):P-9999 (30) and CG(219) at -2.49746 35.563 63.1626 in (null):K-9999 (31) other bump:2.51475 Ang C(196) at 1.875 32.311 56.35 in (null):P-9999 (27) and CD(213) at -0.168186 32.9644 57.6624 in (null):P-9999 (30) other bump:3.2058 Ang CA(198) at 1.337 34.461 55.26 in (null):G-9999 (28) and CD(213) at -0.168186 32.9644 57.6624 in (null):P-9999 (30) other bump:2.44206 Ang C(200) at -0.018 34.688 55.939 in (null):G-9999 (28) and CD(213) at -0.168186 32.9644 57.6624 in (null):P-9999 (30) neighbor-bump: 2.40703 Ang N(201) at -0.995 33.858 55.586 in (null):N-9999 (29) and CD(213) at -0.168186 32.9644 57.6624 in (null):P-9999 (30) other bump:1.81168 Ang O(195) at 1.617 32.709 57.489 in (null):P-9999 (27) and CD(213) at -0.168186 32.9644 57.6624 in (null):P-9999 (30) other bump:2.72484 Ang C(196) at 1.875 32.311 56.35 in (null):P-9999 (27) and CG(212) at 0.467993 32.02 58.6652 in (null):P-9999 (30) other bump:1.78285 Ang O(195) at 1.617 32.709 57.489 in (null):P-9999 (27) and CG(212) at 0.467993 32.02 58.6652 in (null):P-9999 (30) neighbor-bump: 2.11857 Ang C(6) at -3.235 19.457 59.511 in (null):A-9999 (1) and CD(11) at -5.22477 18.7927 59.8074 in (null):P-9999 (2) T0147_twice 138 :EIDVKAVAEAAAKHQVALEINNSSFLHSRKGSEDNCREVAAAVRDAGGWVAL 1qfeA 121 :DADVKATVDYAHAHNVYVVMSNHDFHQTPSAEEMVSRLRKMQALGADIPKIA Fragment has 74 clashes (null) has 74 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:2.67929 Ang OE2(290) at 4.26498 35.051 46.2781 in (null):E-9999 (38) and CB(377) at 3.42 32.609 45.57 in (null):A-9999 (51) other bump:2.59668 Ang OE2(138) at 10.7189 28.7726 50.2819 in (null):E-9999 (19) and CG2(372) at 9.07682 30.5761 49.3911 in (null):V-9999 (50) other bump:2.80362 Ang CD(136) at 10.1116 28.8785 51.368 in (null):E-9999 (19) and CG2(372) at 9.07682 30.5761 49.3911 in (null):V-9999 (50) other bump:2.78771 Ang CG(135) at 10.0055 30.2399 51.998 in (null):E-9999 (19) and CG2(372) at 9.07682 30.5761 49.3911 in (null):V-9999 (50) other bump:2.56835 Ang O(303) at 4.394 41.436 53.27 in (null):A-9999 (40) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:1.93595 Ang C(304) at 4.031 41.089 52.148 in (null):A-9999 (40) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:0.763595 Ang N(305) at 4.44 39.964 51.578 in (null):A-9999 (41) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:0.725906 Ang CA(306) at 5.359 39.073 52.251 in (null):A-9999 (41) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:1.75297 Ang CB(307) at 5.609 37.843 51.395 in (null):A-9999 (41) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:3.17289 Ang CA(301) at 3.101 41.965 51.318 in (null):A-9999 (40) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:2.98627 Ang O(308) at 7.242 39.639 53.602 in (null):A-9999 (41) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:1.98297 Ang C(309) at 6.665 39.798 52.532 in (null):A-9999 (41) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:2.58841 Ang N(310) at 7.137 40.595 51.573 in (null):A-9999 (42) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:2.44356 Ang O(282) at 2.845 38.903 49.358 in (null):R-9999 (37) and CZ3(364) at 4.4749 38.2545 51.0591 in (null):W-9999 (49) other bump:3.06871 Ang C(304) at 4.031 41.089 52.148 in (null):A-9999 (40) and CZ3(364) at 4.4749 38.2545 51.0591 in (null):W-9999 (49) other bump:1.78683 Ang N(305) at 4.44 39.964 51.578 in (null):A-9999 (41) and CZ3(364) at 4.4749 38.2545 51.0591 in (null):W-9999 (49) other bump:1.69472 Ang CA(306) at 5.359 39.073 52.251 in (null):A-9999 (41) and CZ3(364) at 4.4749 38.2545 51.0591 in (null):W-9999 (49) other bump:1.25233 Ang CB(307) at 5.609 37.843 51.395 in (null):A-9999 (41) and CZ3(364) at 4.4749 38.2545 51.0591 in (null):W-9999 (49) other bump:3.05748 Ang C(309) at 6.665 39.798 52.532 in (null):A-9999 (41) and CZ3(364) at 4.4749 38.2545 51.0591 in (null):W-9999 (49) other bump:2.8089 Ang O(303) at 4.394 41.436 53.27 in (null):A-9999 (40) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:2.52328 Ang C(304) at 4.031 41.089 52.148 in (null):A-9999 (40) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:1.76346 Ang N(305) at 4.44 39.964 51.578 in (null):A-9999 (41) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:1.15561 Ang CA(306) at 5.359 39.073 52.251 in (null):A-9999 (41) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:2.0771 Ang CB(307) at 5.609 37.843 51.395 in (null):A-9999 (41) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:2.05634 Ang O(308) at 7.242 39.639 53.602 in (null):A-9999 (41) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:0.839512 Ang C(309) at 6.665 39.798 52.532 in (null):A-9999 (41) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:1.28676 Ang N(310) at 7.137 40.595 51.573 in (null):A-9999 (42) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:2.7078 Ang CA(311) at 8.378 41.358 51.751 in (null):A-9999 (42) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:2.44082 Ang C(309) at 6.665 39.798 52.532 in (null):A-9999 (41) and NE1(362) at 8.45759 39.2351 50.974 in (null):W-9999 (49) other bump:1.98797 Ang N(310) at 7.137 40.595 51.573 in (null):A-9999 (42) and NE1(362) at 8.45759 39.2351 50.974 in (null):W-9999 (49) other bump:2.26201 Ang CA(311) at 8.378 41.358 51.751 in (null):A-9999 (42) and NE1(362) at 8.45759 39.2351 50.974 in (null):W-9999 (49) other bump:2.89327 Ang CB(312) at 8.805 42.06 50.454 in (null):A-9999 (42) and NE1(362) at 8.45759 39.2351 50.974 in (null):W-9999 (49) other bump:2.91032 Ang N(305) at 4.44 39.964 51.578 in (null):A-9999 (41) and CE3(361) at 5.4059 37.5212 50.3251 in (null):W-9999 (49) other bump:2.47374 Ang CA(306) at 5.359 39.073 52.251 in (null):A-9999 (41) and CE3(361) at 5.4059 37.5212 50.3251 in (null):W-9999 (49) other bump:1.13557 Ang CB(307) at 5.609 37.843 51.395 in (null):A-9999 (41) and CE3(361) at 5.4059 37.5212 50.3251 in (null):W-9999 (49) other bump:2.75362 Ang O(291) at 6.199 39.891 48.655 in (null):E-9999 (38) and CE2(360) at 7.10785 39.0555 51.1164 in (null):W-9999 (49) other bump:2.85584 Ang N(305) at 4.44 39.964 51.578 in (null):A-9999 (41) and CE2(360) at 7.10785 39.0555 51.1164 in (null):W-9999 (49) other bump:2.08474 Ang CA(306) at 5.359 39.073 52.251 in (null):A-9999 (41) and CE2(360) at 7.10785 39.0555 51.1164 in (null):W-9999 (49) other bump:1.94792 Ang CB(307) at 5.609 37.843 51.395 in (null):A-9999 (41) and CE2(360) at 7.10785 39.0555 51.1164 in (null):W-9999 (49) other bump:2.55671 Ang O(308) at 7.242 39.639 53.602 in (null):A-9999 (41) and CE2(360) at 7.10785 39.0555 51.1164 in (null):W-9999 (49) other bump:1.65872 Ang C(309) at 6.665 39.798 52.532 in (null):A-9999 (41) and CE2(360) at 7.10785 39.0555 51.1164 in (null):W-9999 (49) other bump:1.60603 Ang N(310) at 7.137 40.595 51.573 in (null):A-9999 (42) and CE2(360) at 7.10785 39.0555 51.1164 in (null):W-9999 (49) other bump:2.70508 Ang CA(311) at 8.378 41.358 51.751 in (null):A-9999 (42) and CE2(360) at 7.10785 39.0555 51.1164 in (null):W-9999 (49) other bump:2.65295 Ang O(291) at 6.199 39.891 48.655 in (null):E-9999 (38) and CD2(359) at 6.74829 37.9251 50.3496 in (null):W-9999 (49) other bump:2.61975 Ang CA(306) at 5.359 39.073 52.251 in (null):A-9999 (41) and CD2(359) at 6.74829 37.9251 50.3496 in (null):W-9999 (49) other bump:1.54841 Ang CB(307) at 5.609 37.843 51.395 in (null):A-9999 (41) and CD2(359) at 6.74829 37.9251 50.3496 in (null):W-9999 (49) other bump:2.87707 Ang C(309) at 6.665 39.798 52.532 in (null):A-9999 (41) and CD2(359) at 6.74829 37.9251 50.3496 in (null):W-9999 (49) other bump:2.89219 Ang CB(307) at 5.609 37.843 51.395 in (null):A-9999 (41) and CG(357) at 7.94463 37.4312 49.7397 in (null):W-9999 (49) other bump:2.74868 Ang OE1(289) at 6.19773 35.8965 46.8779 in (null):E-9999 (38) and CB(356) at 8.06923 36.2255 48.864 in (null):W-9999 (49) other bump:2.66121 Ang CG1(144) at 7.49745 35.4335 55.2265 in (null):I-9999 (20) and CB(343) at 9.019 37.076 53.788 in (null):A-9999 (46) other bump:1.93329 Ang CD1(146) at 7.65882 36.9017 55.1508 in (null):I-9999 (20) and CB(343) at 9.019 37.076 53.788 in (null):A-9999 (46) other bump:2.49588 Ang CD1(146) at 7.65882 36.9017 55.1508 in (null):I-9999 (20) and CA(342) at 10.033 37.586 54.798 in (null):A-9999 (46) other bump:2.81207 Ang CD1(146) at 7.65882 36.9017 55.1508 in (null):I-9999 (20) and N(341) at 9.64 38.891 55.31 in (null):A-9999 (46) other bump:2.4359 Ang CD(216) at -4.27531 34.8861 44.5488 in (null):R-9999 (29) and NH2(281) at -5.053 35.151 46.842 in (null):R-9999 (37) other bump:1.38354 Ang NE(217) at -4.61811 34.3078 45.835 in (null):R-9999 (29) and NH2(281) at -5.053 35.151 46.842 in (null):R-9999 (37) other bump:1.51998 Ang NH1(219) at -6.374 35.7269 46.3586 in (null):R-9999 (29) and NH2(281) at -5.053 35.151 46.842 in (null):R-9999 (37) other bump:0.671347 Ang CZ(218) at -5.54814 34.726 46.6841 in (null):R-9999 (29) and NH2(281) at -5.053 35.151 46.842 in (null):R-9999 (37) other bump:1.58851 Ang NH2(220) at -5.71644 34.1567 47.8883 in (null):R-9999 (29) and NH2(281) at -5.053 35.151 46.842 in (null):R-9999 (37) other bump:1.88789 Ang NE(217) at -4.61811 34.3078 45.835 in (null):R-9999 (29) and NH1(280) at -3.19 33.831 46.974 in (null):R-9999 (37) other bump:2.53887 Ang CZ(218) at -5.54814 34.726 46.6841 in (null):R-9999 (29) and NH1(280) at -3.19 33.831 46.974 in (null):R-9999 (37) other bump:2.70646 Ang NH2(220) at -5.71644 34.1567 47.8883 in (null):R-9999 (29) and NH1(280) at -3.19 33.831 46.974 in (null):R-9999 (37) other bump:2.57734 Ang CD(216) at -4.27531 34.8861 44.5488 in (null):R-9999 (29) and CZ(279) at -3.758 35.023 47.07 in (null):R-9999 (37) other bump:1.6663 Ang NE(217) at -4.61811 34.3078 45.835 in (null):R-9999 (29) and CZ(279) at -3.758 35.023 47.07 in (null):R-9999 (37) other bump:2.80089 Ang NH1(219) at -6.374 35.7269 46.3586 in (null):R-9999 (29) and CZ(279) at -3.758 35.023 47.07 in (null):R-9999 (37) other bump:1.85518 Ang CZ(218) at -5.54814 34.726 46.6841 in (null):R-9999 (29) and CZ(279) at -3.758 35.023 47.07 in (null):R-9999 (37) other bump:2.29248 Ang NH2(220) at -5.71644 34.1567 47.8883 in (null):R-9999 (29) and CZ(279) at -3.758 35.023 47.07 in (null):R-9999 (37) other bump:2.83911 Ang NE(217) at -4.61811 34.3078 45.835 in (null):R-9999 (29) and NE(278) at -3.032 36.09 47.374 in (null):R-9999 (37) other bump:2.94404 Ang CZ(218) at -5.54814 34.726 46.6841 in (null):R-9999 (29) and NE(278) at -3.032 36.09 47.374 in (null):R-9999 (37) other bump:2.40751 Ang NH1(219) at -6.374 35.7269 46.3586 in (null):R-9999 (29) and OE2(248) at -6.657 37.921 45.409 in (null):E-9999 (33) other bump:2.80583 Ang CD(227) at -4.83607 41.1746 38.9125 in (null):K-9999 (30) and CB(238) at -2.42855 42.5334 39.3925 in (null):S-9999 (32) other bump:2.88816 Ang CG(226) at -4.21319 39.8788 38.3936 in (null):K-9999 (30) and N(236) at -1.425 40.365 38.969 in (null):S-9999 (32) other bump:3.0654 Ang CB(76) at 12.71 33.701 62.578 in (null):A-9999 (11) and CD2(129) at 11.0353 32.8792 60.1456 in (null):L-9999 (18) other bump:2.77135 Ang CA(56) at 9.6 36.779 62.061 in (null):A-9999 (8) and CD1(128) at 10.7042 35.3509 59.9582 in (null):L-9999 (18) other bump:3.05224 Ang CB(57) at 9.05 37.724 60.932 in (null):A-9999 (8) and CD1(128) at 10.7042 35.3509 59.9582 in (null):L-9999 (18) T0147_twice 211 :AVDFPPERILNVSPRRLLNFLESRGMAP 1qfeA 173 :VMPQSKHDVLTLLTATLEMQQHYADRPV Fragment has 53 clashes (null) has 53 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues neighbor-bump: 2.0989 Ang C(218) at 13.564 35.853 46.592 in (null):A-9999 (27) and CD(223) at 13.2405 36.4692 44.6118 in (null):P-9999 (28) other bump:2.5698 Ang CB(151) at 7.83932 39.6353 41.5542 in (null):N-9999 (19) and NH2(199) at 7.26712 37.438 42.7577 in (null):R-9999 (24) other bump:2.53857 Ang ND2(153) at 9.0851 39.0407 43.5132 in (null):N-9999 (19) and NH2(199) at 7.26712 37.438 42.7577 in (null):R-9999 (24) other bump:2.65102 Ang CG(152) at 8.25791 39.8883 42.9635 in (null):N-9999 (19) and NH2(199) at 7.26712 37.438 42.7577 in (null):R-9999 (24) other bump:1.37571 Ang CB(151) at 7.83932 39.6353 41.5542 in (null):N-9999 (19) and NH1(198) at 8.6365 38.5493 41.2753 in (null):R-9999 (24) other bump:2.33475 Ang ND2(153) at 9.0851 39.0407 43.5132 in (null):N-9999 (19) and NH1(198) at 8.6365 38.5493 41.2753 in (null):R-9999 (24) other bump:2.32677 Ang CA(150) at 8.186 40.741 40.637 in (null):N-9999 (19) and NH1(198) at 8.6365 38.5493 41.2753 in (null):R-9999 (24) other bump:2.18779 Ang CG(152) at 8.25791 39.8883 42.9635 in (null):N-9999 (19) and NH1(198) at 8.6365 38.5493 41.2753 in (null):R-9999 (24) other bump:2.69043 Ang C(156) at 9.706 40.937 40.648 in (null):N-9999 (19) and NH1(198) at 8.6365 38.5493 41.2753 in (null):R-9999 (24) other bump:2.68513 Ang N(157) at 10.433 40.058 39.969 in (null):F-9999 (20) and NH1(198) at 8.6365 38.5493 41.2753 in (null):R-9999 (24) other bump:1.60051 Ang CB(151) at 7.83932 39.6353 41.5542 in (null):N-9999 (19) and CZ(197) at 8.16314 38.3899 42.506 in (null):R-9999 (24) other bump:2.69275 Ang OD1(154) at 7.77025 40.824 43.5884 in (null):N-9999 (19) and CZ(197) at 8.16314 38.3899 42.506 in (null):R-9999 (24) other bump:1.51263 Ang ND2(153) at 9.0851 39.0407 43.5132 in (null):N-9999 (19) and CZ(197) at 8.16314 38.3899 42.506 in (null):R-9999 (24) other bump:3.00351 Ang CA(150) at 8.186 40.741 40.637 in (null):N-9999 (19) and CZ(197) at 8.16314 38.3899 42.506 in (null):R-9999 (24) other bump:1.56954 Ang CG(152) at 8.25791 39.8883 42.9635 in (null):N-9999 (19) and CZ(197) at 8.16314 38.3899 42.506 in (null):R-9999 (24) other bump:2.13241 Ang CB(151) at 7.83932 39.6353 41.5542 in (null):N-9999 (19) and NE(196) at 8.57911 39.166 43.4983 in (null):R-9999 (24) other bump:1.84704 Ang OD1(154) at 7.77025 40.824 43.5884 in (null):N-9999 (19) and NE(196) at 8.57911 39.166 43.4983 in (null):R-9999 (24) other bump:0.521492 Ang ND2(153) at 9.0851 39.0407 43.5132 in (null):N-9999 (19) and NE(196) at 8.57911 39.166 43.4983 in (null):R-9999 (24) other bump:0.954414 Ang CG(152) at 8.25791 39.8883 42.9635 in (null):N-9999 (19) and NE(196) at 8.57911 39.166 43.4983 in (null):R-9999 (24) other bump:2.57232 Ang CB(151) at 7.83932 39.6353 41.5542 in (null):N-9999 (19) and CD(195) at 9.56464 40.2309 43.3667 in (null):R-9999 (24) other bump:1.90283 Ang OD1(154) at 7.77025 40.824 43.5884 in (null):N-9999 (19) and CD(195) at 9.56464 40.2309 43.3667 in (null):R-9999 (24) other bump:1.29155 Ang ND2(153) at 9.0851 39.0407 43.5132 in (null):N-9999 (19) and CD(195) at 9.56464 40.2309 43.3667 in (null):R-9999 (24) other bump:3.10036 Ang CA(150) at 8.186 40.741 40.637 in (null):N-9999 (19) and CD(195) at 9.56464 40.2309 43.3667 in (null):R-9999 (24) other bump:1.40978 Ang CG(152) at 8.25791 39.8883 42.9635 in (null):N-9999 (19) and CD(195) at 9.56464 40.2309 43.3667 in (null):R-9999 (24) other bump:2.81248 Ang C(156) at 9.706 40.937 40.648 in (null):N-9999 (19) and CD(195) at 9.56464 40.2309 43.3667 in (null):R-9999 (24) other bump:2.02601 Ang ND2(153) at 9.0851 39.0407 43.5132 in (null):N-9999 (19) and CG(194) at 10.7433 39.9515 44.2382 in (null):R-9999 (24) other bump:2.79388 Ang CG(152) at 8.25791 39.8883 42.9635 in (null):N-9999 (19) and CG(194) at 10.7433 39.9515 44.2382 in (null):R-9999 (24) other bump:2.4326 Ang ND2(87) at -1.85107 34.882 36.8318 in (null):N-9999 (11) and NH2(119) at -0.81461 33.5869 38.6111 in (null):R-9999 (15) other bump:2.41497 Ang CG(86) at -1.46797 35.1853 35.621 in (null):N-9999 (11) and NH1(118) at -1.65908 35.6339 37.9862 in (null):R-9999 (15) other bump:1.39098 Ang ND2(87) at -1.85107 34.882 36.8318 in (null):N-9999 (11) and NH1(118) at -1.65908 35.6339 37.9862 in (null):R-9999 (15) other bump:3.0935 Ang CG(86) at -1.46797 35.1853 35.621 in (null):N-9999 (11) and CZ(117) at -0.729886 34.9144 38.6129 in (null):R-9999 (15) other bump:2.10483 Ang ND2(87) at -1.85107 34.882 36.8318 in (null):N-9999 (11) and CZ(117) at -0.729886 34.9144 38.6129 in (null):R-9999 (15) other bump:1.41925 Ang O(81) at 2.713 33.892 32.79 in (null):L-9999 (10) and CD(108) at 3.64593 34.6391 33.5554 in (null):P-9999 (14) other bump:2.60385 Ang C(82) at 1.81 33.075 32.574 in (null):L-9999 (10) and CD(108) at 3.64593 34.6391 33.5554 in (null):P-9999 (14) other bump:3.00428 Ang C(90) at 1.313 34.107 35.372 in (null):N-9999 (11) and CD(108) at 3.64593 34.6391 33.5554 in (null):P-9999 (14) other bump:1.88941 Ang O(81) at 2.713 33.892 32.79 in (null):L-9999 (10) and CG(107) at 3.12195 35.7306 32.6409 in (null):P-9999 (14) other bump:2.96274 Ang C(82) at 1.81 33.075 32.574 in (null):L-9999 (10) and CG(107) at 3.12195 35.7306 32.6409 in (null):P-9999 (14) other bump:2.68942 Ang OD2(19) at 0.465253 26.0659 36.1772 in (null):D-9999 (3) and CG1(70) at 1.00492 26.3179 33.5546 in (null):I-9999 (9) other bump:2.66628 Ang CD(37) at -6.32479 26.8596 33.641 in (null):P-9999 (5) and NH1(63) at -8.06998 27.0706 35.6457 in (null):R-9999 (8) other bump:2.53829 Ang CA(23) at -6.351 25.233 35.312 in (null):F-9999 (4) and NH1(63) at -8.06998 27.0706 35.6457 in (null):R-9999 (8) other bump:1.22455 Ang CB(24) at -7.62115 25.9313 35.6546 in (null):F-9999 (4) and NH1(63) at -8.06998 27.0706 35.6457 in (null):R-9999 (8) other bump:1.92116 Ang CG(25) at -7.96411 25.8349 37.113 in (null):F-9999 (4) and NH1(63) at -8.06998 27.0706 35.6457 in (null):R-9999 (8) other bump:2.2744 Ang CD2(27) at -7.9614 26.9721 37.9154 in (null):F-9999 (4) and NH1(63) at -8.06998 27.0706 35.6457 in (null):R-9999 (8) other bump:2.49159 Ang CB(24) at -7.62115 25.9313 35.6546 in (null):F-9999 (4) and CZ(62) at -8.04358 28.3802 35.8344 in (null):R-9999 (8) other bump:2.84944 Ang CG(25) at -7.96411 25.8349 37.113 in (null):F-9999 (4) and CZ(62) at -8.04358 28.3802 35.8344 in (null):R-9999 (8) other bump:2.51391 Ang CD2(27) at -7.9614 26.9721 37.9154 in (null):F-9999 (4) and CZ(62) at -8.04358 28.3802 35.8344 in (null):R-9999 (8) other bump:2.67533 Ang CD(37) at -6.32479 26.8596 33.641 in (null):P-9999 (5) and CD(60) at -5.59286 28.5056 35.619 in (null):R-9999 (8) other bump:2.63279 Ang N(22) at -5.173 25.915 35.829 in (null):F-9999 (4) and CD(60) at -5.59286 28.5056 35.619 in (null):R-9999 (8) neighbor-bump: 1.73007 Ang C(32) at -6.251 25.137 33.784 in (null):F-9999 (4) and CD(37) at -6.32479 26.8596 33.641 in (null):P-9999 (5) neighbor-bump: 2.6469 Ang N(22) at -5.173 25.915 35.829 in (null):F-9999 (4) and CD(37) at -6.32479 26.8596 33.641 in (null):P-9999 (5) neighbor-bump: 2.33208 Ang CA(23) at -6.351 25.233 35.312 in (null):F-9999 (4) and CD(37) at -6.32479 26.8596 33.641 in (null):P-9999 (5) neighbor-bump: 2.56842 Ang CB(24) at -7.62115 25.9313 35.6546 in (null):F-9999 (4) and CD(37) at -6.32479 26.8596 33.641 in (null):P-9999 (5) neighbor-bump: 2.68418 Ang C(32) at -6.251 25.137 33.784 in (null):F-9999 (4) and CG(36) at -6.99797 27.2614 32.3232 in (null):P-9999 (5) T0147_twice 249 :VDLHMHT 1qfeA 201 :ITMSMAK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.28173 Ang O(41) at 0.814 22.736 38.025 in (null):M-9999 (5) and CB(45) at -0.350185 20.8575 37.4575 in (null):H-9999 (6) neighbor-bump: 2.6518 Ang C(42) at 1.273 22.231 39.042 in (null):M-9999 (5) and CB(45) at -0.350185 20.8575 37.4575 in (null):H-9999 (6) T0147_twice 383 :EIDVKAVAEAA 1qfeA 208 :EGVISRLAGEV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0147_twice 428 :AGGWVALGS 1qfeA 219 :FGSAATFGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0147_twice 455 :DAVDFPPERILNVSPRRLLNFLES 1qfeA 228 :VKQASAPGQIAVNDLRSVLMILHN Fragment has 48 clashes (null) has 48 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:3.07793 Ang NE(135) at 20.5532 15.249 30.3706 in (null):R-9999 (17) and CE1(171) at 21.2927 18.1829 29.8058 in (null):F-9999 (21) other bump:2.83339 Ang CZ(136) at 20.0319 15.71 29.2368 in (null):R-9999 (17) and CE1(171) at 21.2927 18.1829 29.8058 in (null):F-9999 (21) other bump:3.04782 Ang NH1(137) at 18.8907 16.3926 29.2448 in (null):R-9999 (17) and CE1(171) at 21.2927 18.1829 29.8058 in (null):F-9999 (21) other bump:1.51582 Ang O(89) at 14.447 15.313 39.109 in (null):L-9999 (11) and CD(116) at 15.0597 16.3978 38.2455 in (null):P-9999 (15) other bump:2.70598 Ang C(90) at 14.199 14.623 40.098 in (null):L-9999 (11) and CD(116) at 15.0597 16.3978 38.2455 in (null):P-9999 (15) other bump:3.03092 Ang C(98) at 17.094 15.63 40.357 in (null):N-9999 (12) and CD(116) at 15.0597 16.3978 38.2455 in (null):P-9999 (15) other bump:3.07915 Ang CG1(78) at 11.469 17.37 37.504 in (null):I-9999 (10) and CG(115) at 14.2037 17.4559 38.9164 in (null):P-9999 (15) other bump:2.1652 Ang O(89) at 14.447 15.313 39.109 in (null):L-9999 (11) and CG(115) at 14.2037 17.4559 38.9164 in (null):P-9999 (15) other bump:3.0694 Ang C(90) at 14.199 14.623 40.098 in (null):L-9999 (11) and CG(115) at 14.2037 17.4559 38.9164 in (null):P-9999 (15) other bump:1.92686 Ang CD1(34) at 7.04901 19.9777 48.4297 in (null):F-9999 (5) and NH2(72) at 7.67875 21.3466 47.2289 in (null):R-9999 (9) other bump:0.711103 Ang CE1(36) at 7.79232 20.9856 47.8309 in (null):F-9999 (5) and NH2(72) at 7.67875 21.3466 47.2289 in (null):R-9999 (9) other bump:2.71235 Ang CE2(37) at 9.59994 19.4513 47.5001 in (null):F-9999 (5) and NH2(72) at 7.67875 21.3466 47.2289 in (null):R-9999 (9) other bump:1.52715 Ang CZ(38) at 9.06714 20.726 47.3679 in (null):F-9999 (5) and NH2(72) at 7.67875 21.3466 47.2289 in (null):R-9999 (9) other bump:2.53963 Ang CE1(36) at 7.79232 20.9856 47.8309 in (null):F-9999 (5) and NH1(71) at 9.44316 20.7012 45.9221 in (null):R-9999 (9) other bump:2.01915 Ang CE2(37) at 9.59994 19.4513 47.5001 in (null):F-9999 (5) and NH1(71) at 9.44316 20.7012 45.9221 in (null):R-9999 (9) other bump:1.49417 Ang CZ(38) at 9.06714 20.726 47.3679 in (null):F-9999 (5) and NH1(71) at 9.44316 20.7012 45.9221 in (null):R-9999 (9) other bump:2.96714 Ang CG(33) at 7.56922 18.6984 48.569 in (null):F-9999 (5) and CZ(70) at 8.17387 20.5129 46.3005 in (null):R-9999 (9) other bump:2.46688 Ang CD1(34) at 7.04901 19.9777 48.4297 in (null):F-9999 (5) and CZ(70) at 8.17387 20.5129 46.3005 in (null):R-9999 (9) other bump:1.64658 Ang CE1(36) at 7.79232 20.9856 47.8309 in (null):F-9999 (5) and CZ(70) at 8.17387 20.5129 46.3005 in (null):R-9999 (9) other bump:2.81877 Ang CD2(35) at 8.84833 18.4485 48.0975 in (null):F-9999 (5) and CZ(70) at 8.17387 20.5129 46.3005 in (null):R-9999 (9) other bump:2.1447 Ang CE2(37) at 9.59994 19.4513 47.5001 in (null):F-9999 (5) and CZ(70) at 8.17387 20.5129 46.3005 in (null):R-9999 (9) other bump:1.40814 Ang CZ(38) at 9.06714 20.726 47.3679 in (null):F-9999 (5) and CZ(70) at 8.17387 20.5129 46.3005 in (null):R-9999 (9) other bump:2.94042 Ang CG(33) at 7.56922 18.6984 48.569 in (null):F-9999 (5) and NE(69) at 7.43773 19.5512 45.758 in (null):R-9999 (9) other bump:2.73331 Ang CD1(34) at 7.04901 19.9777 48.4297 in (null):F-9999 (5) and NE(69) at 7.43773 19.5512 45.758 in (null):R-9999 (9) other bump:2.93214 Ang CG(44) at 4.95108 20.1273 47.201 in (null):P-9999 (6) and NE(69) at 7.43773 19.5512 45.758 in (null):R-9999 (9) other bump:2.33926 Ang CD(45) at 5.66831 18.7775 47.0781 in (null):P-9999 (6) and NE(69) at 7.43773 19.5512 45.758 in (null):R-9999 (9) other bump:2.7785 Ang CE2(37) at 9.59994 19.4513 47.5001 in (null):F-9999 (5) and NE(69) at 7.43773 19.5512 45.758 in (null):R-9999 (9) other bump:2.57428 Ang CZ(38) at 9.06714 20.726 47.3679 in (null):F-9999 (5) and NE(69) at 7.43773 19.5512 45.758 in (null):R-9999 (9) other bump:2.74313 Ang OD2(27) at 6.2252 16.5578 43.0261 in (null):D-9999 (4) and CG(67) at 7.64471 18.8791 43.3741 in (null):R-9999 (9) other bump:2.19145 Ang OD2(27) at 6.2252 16.5578 43.0261 in (null):D-9999 (4) and CB(66) at 8.06367 17.6443 42.5342 in (null):R-9999 (9) neighbor-bump: 2.42696 Ang O(53) at 3.097 19.956 41.436 in (null):P-9999 (7) and CG(58) at 2.75844 20.4417 39.0824 in (null):E-9999 (8) other bump:3.11979 Ang CG(25) at 5.69203 16.1133 44.0659 in (null):D-9999 (4) and C(47) at 3.467 18.274 44.403 in (null):P-9999 (6) other bump:2.17437 Ang OD1(26) at 5.01984 16.8183 44.8475 in (null):D-9999 (4) and C(47) at 3.467 18.274 44.403 in (null):P-9999 (6) other bump:2.11863 Ang CG(25) at 5.69203 16.1133 44.0659 in (null):D-9999 (4) and O(46) at 4.441 17.804 43.811 in (null):P-9999 (6) other bump:2.31355 Ang OD2(27) at 6.2252 16.5578 43.0261 in (null):D-9999 (4) and O(46) at 4.441 17.804 43.811 in (null):P-9999 (6) other bump:1.54303 Ang OD1(26) at 5.01984 16.8183 44.8475 in (null):D-9999 (4) and O(46) at 4.441 17.804 43.811 in (null):P-9999 (6) neighbor-bump: 2.36698 Ang O(39) at 3.934 18.308 48.619 in (null):F-9999 (5) and CD(45) at 5.66831 18.7775 47.0781 in (null):P-9999 (6) neighbor-bump: 2.35267 Ang CA(31) at 5.8 16.827 48.387 in (null):F-9999 (5) and CD(45) at 5.66831 18.7775 47.0781 in (null):P-9999 (6) neighbor-bump: 2.72071 Ang CB(32) at 6.77517 17.6118 49.2731 in (null):F-9999 (5) and CD(45) at 5.66831 18.7775 47.0781 in (null):P-9999 (6) neighbor-bump: 2.41709 Ang CG(33) at 7.56922 18.6984 48.569 in (null):F-9999 (5) and CD(45) at 5.66831 18.7775 47.0781 in (null):P-9999 (6) neighbor-bump: 2.27452 Ang CD1(34) at 7.04901 19.9777 48.4297 in (null):F-9999 (5) and CD(45) at 5.66831 18.7775 47.0781 in (null):P-9999 (6) neighbor-bump: 1.60299 Ang C(40) at 4.703 17.756 47.849 in (null):F-9999 (5) and CD(45) at 5.66831 18.7775 47.0781 in (null):P-9999 (6) neighbor-bump: 2.52089 Ang O(39) at 3.934 18.308 48.619 in (null):F-9999 (5) and CG(44) at 4.95108 20.1273 47.201 in (null):P-9999 (6) neighbor-bump: 2.43587 Ang CD1(34) at 7.04901 19.9777 48.4297 in (null):F-9999 (5) and CG(44) at 4.95108 20.1273 47.201 in (null):P-9999 (6) neighbor-bump: 2.47069 Ang C(40) at 4.703 17.756 47.849 in (null):F-9999 (5) and CG(44) at 4.95108 20.1273 47.201 in (null):P-9999 (6) other bump:2.58323 Ang OD1(26) at 5.01984 16.8183 44.8475 in (null):D-9999 (4) and CA(42) at 3.59 18.715 45.863 in (null):P-9999 (6) other bump:2.03345 Ang OD1(26) at 5.01984 16.8183 44.8475 in (null):D-9999 (4) and N(41) at 4.616 17.899 46.522 in (null):P-9999 (6) self-bump: 1.39814 Ang CA(3) at 13.836 12.186 45.69 in (null):D-9999 (1) and CB(4) at 14.6407 12.045 46.8246 in (null):D-9999 (1) Number of specific fragments= 12 total=347 Number of alignments=25 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1qfeA/T0147_twice-1qfeA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1qfeA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1qfeA/T0147_twice-1qfeA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1qfeA in template set T0147_twice 1 :MYPV 1qfeA 1 :MKTV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues other bump:2.95944 Ang CE2(15) at 18.6627 38.4052 52.1191 in (null):Y-9999 (1) and CG2(31) at 17.852 35.58 51.774 in (null):V-9999 (3) neighbor-bump: 3.25026 Ang CE2(15) at 18.6627 38.4052 52.1191 in (null):Y-9999 (1) and C(26) at 20.587 36.979 49.922 in (null):P-9999 (2) neighbor-bump: 3.2157 Ang CZ(16) at 19.9326 38.5879 52.6283 in (null):Y-9999 (1) and C(26) at 20.587 36.979 49.922 in (null):P-9999 (2) neighbor-bump: 2.42373 Ang CE2(15) at 18.6627 38.4052 52.1191 in (null):Y-9999 (1) and O(25) at 20.632 37.772 50.856 in (null):P-9999 (2) neighbor-bump: 2.21127 Ang CE1(14) at 20.7494 39.5827 52.1199 in (null):Y-9999 (1) and O(25) at 20.632 37.772 50.856 in (null):P-9999 (2) neighbor-bump: 2.07264 Ang CZ(16) at 19.9326 38.5879 52.6283 in (null):Y-9999 (1) and O(25) at 20.632 37.772 50.856 in (null):P-9999 (2) neighbor-bump: 2.63809 Ang CD1(12) at 20.2806 40.3753 51.0987 in (null):Y-9999 (1) and O(25) at 20.632 37.772 50.856 in (null):P-9999 (2) T0147_twice 10 :TVASTH 1qfeA 21 :SLMGRD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.42264 Ang OG1(31) at 5.07491 7.08712 60.3715 in (null):T-9999 (5) and ND1(39) at 5.21414 6.61418 62.7434 in (null):H-9999 (6) T0147_twice 17 :YSTLSDYIAQAKQKGIKLF 1qfeA 27 :INSVKAEALAYREATFDIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.51569 Ang CG2(23) at 9.49351 7.39865 57.5052 in (null):T-9999 (3) and CE2(56) at 9.80598 8.71471 55.3841 in (null):Y-9999 (7) T0147_twice 41 :GPDMEDAPHHWHFINMRIWPRVVDGVGILR 1qfeA 50 :DHFMDIASTQSVLTAARVIRDAMPDIPLLF Fragment has 45 clashes (null) has 45 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.68185 Ang CD2(96) at 9.35463 20.5647 65.8846 in (null):H-9999 (12) and NH2(249) at 8.48021 23.0467 65.3676 in (null):R-9999 (30) other bump:2.42699 Ang NE2(99) at 9.54225 21.0058 64.5949 in (null):H-9999 (12) and NH2(249) at 8.48021 23.0467 65.3676 in (null):R-9999 (30) other bump:2.73608 Ang NE2(99) at 9.54225 21.0058 64.5949 in (null):H-9999 (12) and CZ(247) at 9.32297 23.7331 64.5852 in (null):R-9999 (30) other bump:2.90362 Ang CG1(198) at 23.678 16.619 54.8505 in (null):V-9999 (23) and CG1(217) at 22.798 18.815 53.167 in (null):V-9999 (26) other bump:2.71033 Ang CD(141) at 19.71 15.872 69.281 in (null):R-9999 (17) and NH1(184) at 20.6978 13.3887 68.8302 in (null):R-9999 (21) other bump:2.735 Ang CE2(84) at 7.7822 11.723 66.2751 in (null):W-9999 (11) and ND2(125) at 9.67671 12.9005 64.6925 in (null):N-9999 (15) other bump:2.64611 Ang CZ2(87) at 7.42582 11.5308 64.9361 in (null):W-9999 (11) and ND2(125) at 9.67671 12.9005 64.6925 in (null):N-9999 (15) other bump:3.0505 Ang CH2(89) at 6.67308 12.5079 64.3326 in (null):W-9999 (11) and ND2(125) at 9.67671 12.9005 64.6925 in (null):N-9999 (15) other bump:2.44569 Ang ND1(73) at 11.3664 14.353 73.8209 in (null):H-9999 (10) and CD1(118) at 12.6145 13.4865 71.9044 in (null):I-9999 (14) other bump:2.51822 Ang CE1(74) at 12.5438 14.0684 74.3534 in (null):H-9999 (10) and CD1(118) at 12.6145 13.4865 71.9044 in (null):I-9999 (14) other bump:3.18211 Ang N(29) at 3.64 12.552 65.294 in (null):E-9999 (5) and CH2(89) at 6.67308 12.5079 64.3326 in (null):W-9999 (11) other bump:1.1673 Ang OD1(17) at 6.03955 13.2708 63.7169 in (null):D-9999 (3) and CH2(89) at 6.67308 12.5079 64.3326 in (null):W-9999 (11) other bump:2.12772 Ang OE1(34) at 5.57759 10.7118 64.6511 in (null):E-9999 (5) and CH2(89) at 6.67308 12.5079 64.3326 in (null):W-9999 (11) other bump:2.96284 Ang CB(31) at 5.28404 12.2137 66.9331 in (null):E-9999 (5) and CH2(89) at 6.67308 12.5079 64.3326 in (null):W-9999 (11) other bump:2.11633 Ang CG(16) at 6.53813 14.2944 63.2061 in (null):D-9999 (3) and CH2(89) at 6.67308 12.5079 64.3326 in (null):W-9999 (11) other bump:2.62655 Ang OD2(18) at 7.47248 14.9353 63.7265 in (null):D-9999 (3) and CH2(89) at 6.67308 12.5079 64.3326 in (null):W-9999 (11) other bump:2.86802 Ang N(29) at 3.64 12.552 65.294 in (null):E-9999 (5) and CZ3(88) at 6.27182 13.6611 65.0314 in (null):W-9999 (11) other bump:3.10643 Ang CA(30) at 3.787 12.85 66.71 in (null):E-9999 (5) and CZ3(88) at 6.27182 13.6611 65.0314 in (null):W-9999 (11) other bump:1.39079 Ang OD1(17) at 6.03955 13.2708 63.7169 in (null):D-9999 (3) and CZ3(88) at 6.27182 13.6611 65.0314 in (null):W-9999 (11) other bump:3.05364 Ang OE1(34) at 5.57759 10.7118 64.6511 in (null):E-9999 (5) and CZ3(88) at 6.27182 13.6611 65.0314 in (null):W-9999 (11) other bump:2.58592 Ang CB(31) at 5.28404 12.2137 66.9331 in (null):E-9999 (5) and CZ3(88) at 6.27182 13.6611 65.0314 in (null):W-9999 (11) other bump:1.95028 Ang CG(16) at 6.53813 14.2944 63.2061 in (null):D-9999 (3) and CZ3(88) at 6.27182 13.6611 65.0314 in (null):W-9999 (11) other bump:2.18353 Ang OD2(18) at 7.47248 14.9353 63.7265 in (null):D-9999 (3) and CZ3(88) at 6.27182 13.6611 65.0314 in (null):W-9999 (11) other bump:3.09943 Ang C(37) at 3.944 14.351 66.958 in (null):E-9999 (5) and CZ3(88) at 6.27182 13.6611 65.0314 in (null):W-9999 (11) other bump:2.5369 Ang OD1(17) at 6.03955 13.2708 63.7169 in (null):D-9999 (3) and CZ2(87) at 7.42582 11.5308 64.9361 in (null):W-9999 (11) other bump:2.74861 Ang CD(33) at 5.2204 10.0547 65.6516 in (null):E-9999 (5) and CZ2(87) at 7.42582 11.5308 64.9361 in (null):W-9999 (11) other bump:2.04155 Ang OE1(34) at 5.57759 10.7118 64.6511 in (null):E-9999 (5) and CZ2(87) at 7.42582 11.5308 64.9361 in (null):W-9999 (11) other bump:3.00692 Ang CB(31) at 5.28404 12.2137 66.9331 in (null):E-9999 (5) and CZ2(87) at 7.42582 11.5308 64.9361 in (null):W-9999 (11) other bump:3.15971 Ang CG(32) at 5.18036 10.7196 67.0058 in (null):E-9999 (5) and CZ2(87) at 7.42582 11.5308 64.9361 in (null):W-9999 (11) other bump:3.03119 Ang CA(30) at 3.787 12.85 66.71 in (null):E-9999 (5) and CE3(85) at 6.62658 13.8528 66.3647 in (null):W-9999 (11) other bump:2.77389 Ang OD1(17) at 6.03955 13.2708 63.7169 in (null):D-9999 (3) and CE3(85) at 6.62658 13.8528 66.3647 in (null):W-9999 (11) other bump:2.19366 Ang CB(31) at 5.28404 12.2137 66.9331 in (null):E-9999 (5) and CE3(85) at 6.62658 13.8528 66.3647 in (null):W-9999 (11) other bump:3.19052 Ang CG(16) at 6.53813 14.2944 63.2061 in (null):D-9999 (3) and CE3(85) at 6.62658 13.8528 66.3647 in (null):W-9999 (11) other bump:2.97443 Ang OD2(18) at 7.47248 14.9353 63.7265 in (null):D-9999 (3) and CE3(85) at 6.62658 13.8528 66.3647 in (null):W-9999 (11) other bump:2.62455 Ang O(36) at 4.67 14.759 67.861 in (null):E-9999 (5) and CE3(85) at 6.62658 13.8528 66.3647 in (null):W-9999 (11) other bump:2.79221 Ang C(37) at 3.944 14.351 66.958 in (null):E-9999 (5) and CE3(85) at 6.62658 13.8528 66.3647 in (null):W-9999 (11) other bump:3.12004 Ang CD(33) at 5.2204 10.0547 65.6516 in (null):E-9999 (5) and CE2(84) at 7.7822 11.723 66.2751 in (null):W-9999 (11) other bump:2.91891 Ang OE1(34) at 5.57759 10.7118 64.6511 in (null):E-9999 (5) and CE2(84) at 7.7822 11.723 66.2751 in (null):W-9999 (11) other bump:2.62957 Ang CB(31) at 5.28404 12.2137 66.9331 in (null):E-9999 (5) and CE2(84) at 7.7822 11.723 66.2751 in (null):W-9999 (11) other bump:2.88275 Ang CG(32) at 5.18036 10.7196 67.0058 in (null):E-9999 (5) and CE2(84) at 7.7822 11.723 66.2751 in (null):W-9999 (11) other bump:2.21299 Ang CB(31) at 5.28404 12.2137 66.9331 in (null):E-9999 (5) and CD2(83) at 7.39515 12.8733 67.0072 in (null):W-9999 (11) other bump:3.04182 Ang CB(31) at 5.28404 12.2137 66.9331 in (null):E-9999 (5) and CG(81) at 7.93566 12.7347 68.3296 in (null):W-9999 (11) self-bump: 1.3994 Ang CA(59) at 7.215 19.413 71.145 in (null):H-9999 (9) and CB(60) at 7.47012 20.6747 71.694 in (null):H-9999 (9) self-bump: 1.37917 Ang N(6) at 3.787 15.919 58.036 in (null):P-9999 (2) and CD(10) at 4.40176 16.7848 57.1559 in (null):P-9999 (2) neighbor-bump: 2.4184 Ang N(2) at 4.34 18.457 58.902 in (null):G-9999 (1) and CD(10) at 4.40176 16.7848 57.1559 in (null):P-9999 (2) T0147_twice 111 :ATNTQAMIATIASGNVHIISHPGNPK 1qfeA 95 :QHYLTLNRAAIDSGLVDMIDLELFTG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues neighbor-bump: 2.5255 Ang O(175) at -2.844 33.7 61.493 in (null):P-9999 (25) and CG(180) at -2.49746 35.563 63.1626 in (null):K-9999 (26) other bump:2.44206 Ang C(161) at -0.018 34.688 55.939 in (null):G-9999 (23) and CD(174) at -0.168186 32.9644 57.6624 in (null):P-9999 (25) neighbor-bump: 2.40703 Ang N(162) at -0.995 33.858 55.586 in (null):N-9999 (24) and CD(174) at -0.168186 32.9644 57.6624 in (null):P-9999 (25) other bump:2.51475 Ang C(157) at 1.875 32.311 56.35 in (null):P-9999 (22) and CD(174) at -0.168186 32.9644 57.6624 in (null):P-9999 (25) other bump:3.2058 Ang CA(159) at 1.337 34.461 55.26 in (null):G-9999 (23) and CD(174) at -0.168186 32.9644 57.6624 in (null):P-9999 (25) other bump:1.81168 Ang O(156) at 1.617 32.709 57.489 in (null):P-9999 (22) and CD(174) at -0.168186 32.9644 57.6624 in (null):P-9999 (25) other bump:2.72484 Ang C(157) at 1.875 32.311 56.35 in (null):P-9999 (22) and CG(173) at 0.467993 32.02 58.6652 in (null):P-9999 (25) other bump:1.78285 Ang O(156) at 1.617 32.709 57.489 in (null):P-9999 (22) and CG(173) at 0.467993 32.02 58.6652 in (null):P-9999 (25) T0147_twice 138 :EIDVKAVAEAAAKHQVALEINNSSFLHSRKGSEDNCREVAAAVRDAGGWVAL 1qfeA 121 :DADVKATVDYAHAHNVYVVMSNHDFHQTPSAEEMVSRLRKMQALGADIPKIA Fragment has 74 clashes (null) has 74 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:2.67929 Ang OE2(290) at 4.26498 35.051 46.2781 in (null):E-9999 (38) and CB(377) at 3.42 32.609 45.57 in (null):A-9999 (51) other bump:2.59668 Ang OE2(138) at 10.7189 28.7726 50.2819 in (null):E-9999 (19) and CG2(372) at 9.07682 30.5761 49.3911 in (null):V-9999 (50) other bump:2.80362 Ang CD(136) at 10.1116 28.8785 51.368 in (null):E-9999 (19) and CG2(372) at 9.07682 30.5761 49.3911 in (null):V-9999 (50) other bump:2.78771 Ang CG(135) at 10.0055 30.2399 51.998 in (null):E-9999 (19) and CG2(372) at 9.07682 30.5761 49.3911 in (null):V-9999 (50) other bump:2.56835 Ang O(303) at 4.394 41.436 53.27 in (null):A-9999 (40) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:1.93595 Ang C(304) at 4.031 41.089 52.148 in (null):A-9999 (40) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:0.763595 Ang N(305) at 4.44 39.964 51.578 in (null):A-9999 (41) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:0.725906 Ang CA(306) at 5.359 39.073 52.251 in (null):A-9999 (41) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:1.75297 Ang CB(307) at 5.609 37.843 51.395 in (null):A-9999 (41) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:3.17289 Ang CA(301) at 3.101 41.965 51.318 in (null):A-9999 (40) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:2.98627 Ang O(308) at 7.242 39.639 53.602 in (null):A-9999 (41) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:1.98297 Ang C(309) at 6.665 39.798 52.532 in (null):A-9999 (41) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:2.58841 Ang N(310) at 7.137 40.595 51.573 in (null):A-9999 (42) and CH2(365) at 4.86649 39.3753 51.8117 in (null):W-9999 (49) other bump:2.44356 Ang O(282) at 2.845 38.903 49.358 in (null):R-9999 (37) and CZ3(364) at 4.4749 38.2545 51.0591 in (null):W-9999 (49) other bump:3.06871 Ang C(304) at 4.031 41.089 52.148 in (null):A-9999 (40) and CZ3(364) at 4.4749 38.2545 51.0591 in (null):W-9999 (49) other bump:1.78683 Ang N(305) at 4.44 39.964 51.578 in (null):A-9999 (41) and CZ3(364) at 4.4749 38.2545 51.0591 in (null):W-9999 (49) other bump:1.69472 Ang CA(306) at 5.359 39.073 52.251 in (null):A-9999 (41) and CZ3(364) at 4.4749 38.2545 51.0591 in (null):W-9999 (49) other bump:1.25233 Ang CB(307) at 5.609 37.843 51.395 in (null):A-9999 (41) and CZ3(364) at 4.4749 38.2545 51.0591 in (null):W-9999 (49) other bump:3.05748 Ang C(309) at 6.665 39.798 52.532 in (null):A-9999 (41) and CZ3(364) at 4.4749 38.2545 51.0591 in (null):W-9999 (49) other bump:2.8089 Ang O(303) at 4.394 41.436 53.27 in (null):A-9999 (40) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:2.52328 Ang C(304) at 4.031 41.089 52.148 in (null):A-9999 (40) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:1.76346 Ang N(305) at 4.44 39.964 51.578 in (null):A-9999 (41) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:1.15561 Ang CA(306) at 5.359 39.073 52.251 in (null):A-9999 (41) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:2.0771 Ang CB(307) at 5.609 37.843 51.395 in (null):A-9999 (41) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:2.05634 Ang O(308) at 7.242 39.639 53.602 in (null):A-9999 (41) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:0.839512 Ang C(309) at 6.665 39.798 52.532 in (null):A-9999 (41) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:1.28676 Ang N(310) at 7.137 40.595 51.573 in (null):A-9999 (42) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:2.7078 Ang CA(311) at 8.378 41.358 51.751 in (null):A-9999 (42) and CZ2(363) at 6.1733 39.7891 51.8516 in (null):W-9999 (49) other bump:2.44082 Ang C(309) at 6.665 39.798 52.532 in (null):A-9999 (41) and NE1(362) at 8.45759 39.2351 50.974 in (null):W-9999 (49) other bump:1.98797 Ang N(310) at 7.137 40.595 51.573 in (null):A-9999 (42) and NE1(362) at 8.45759 39.2351 50.974 in (null):W-9999 (49) other bump:2.26201 Ang CA(311) at 8.378 41.358 51.751 in (null):A-9999 (42) and NE1(362) at 8.45759 39.2351 50.974 in (null):W-9999 (49) other bump:2.89327 Ang CB(312) at 8.805 42.06 50.454 in (null):A-9999 (42) and NE1(362) at 8.45759 39.2351 50.974 in (null):W-9999 (49) other bump:2.91032 Ang N(305) at 4.44 39.964 51.578 in (null):A-9999 (41) and CE3(361) at 5.4059 37.5212 50.3251 in (null):W-9999 (49) other bump:2.47374 Ang CA(306) at 5.359 39.073 52.251 in (null):A-9999 (41) and CE3(361) at 5.4059 37.5212 50.3251 in (null):W-9999 (49) other bump:1.13557 Ang CB(307) at 5.609 37.843 51.395 in (null):A-9999 (41) and CE3(361) at 5.4059 37.5212 50.3251 in (null):W-9999 (49) other bump:2.75362 Ang O(291) at 6.199 39.891 48.655 in (null):E-9999 (38) and CE2(360) at 7.10785 39.0555 51.1164 in (null):W-9999 (49) other bump:2.85584 Ang N(305) at 4.44 39.964 51.578 in (null):A-9999 (41) and CE2(360) at 7.10785 39.0555 51.1164 in (null):W-9999 (49) other bump:2.08474 Ang CA(306) at 5.359 39.073 52.251 in (null):A-9999 (41) and CE2(360) at 7.10785 39.0555 51.1164 in (null):W-9999 (49) other bump:1.94792 Ang CB(307) at 5.609 37.843 51.395 in (null):A-9999 (41) and CE2(360) at 7.10785 39.0555 51.1164 in (null):W-9999 (49) other bump:2.55671 Ang O(308) at 7.242 39.639 53.602 in (null):A-9999 (41) and CE2(360) at 7.10785 39.0555 51.1164 in (null):W-9999 (49) other bump:1.65872 Ang C(309) at 6.665 39.798 52.532 in (null):A-9999 (41) and CE2(360) at 7.10785 39.0555 51.1164 in (null):W-9999 (49) other bump:1.60603 Ang N(310) at 7.137 40.595 51.573 in (null):A-9999 (42) and CE2(360) at 7.10785 39.0555 51.1164 in (null):W-9999 (49) other bump:2.70508 Ang CA(311) at 8.378 41.358 51.751 in (null):A-9999 (42) and CE2(360) at 7.10785 39.0555 51.1164 in (null):W-9999 (49) other bump:2.65295 Ang O(291) at 6.199 39.891 48.655 in (null):E-9999 (38) and CD2(359) at 6.74829 37.9251 50.3496 in (null):W-9999 (49) other bump:2.61975 Ang CA(306) at 5.359 39.073 52.251 in (null):A-9999 (41) and CD2(359) at 6.74829 37.9251 50.3496 in (null):W-9999 (49) other bump:1.54841 Ang CB(307) at 5.609 37.843 51.395 in (null):A-9999 (41) and CD2(359) at 6.74829 37.9251 50.3496 in (null):W-9999 (49) other bump:2.87707 Ang C(309) at 6.665 39.798 52.532 in (null):A-9999 (41) and CD2(359) at 6.74829 37.9251 50.3496 in (null):W-9999 (49) other bump:2.89219 Ang CB(307) at 5.609 37.843 51.395 in (null):A-9999 (41) and CG(357) at 7.94463 37.4312 49.7397 in (null):W-9999 (49) other bump:2.74868 Ang OE1(289) at 6.19773 35.8965 46.8779 in (null):E-9999 (38) and CB(356) at 8.06923 36.2255 48.864 in (null):W-9999 (49) other bump:2.66121 Ang CG1(144) at 7.49745 35.4335 55.2265 in (null):I-9999 (20) and CB(343) at 9.019 37.076 53.788 in (null):A-9999 (46) other bump:1.93329 Ang CD1(146) at 7.65882 36.9017 55.1508 in (null):I-9999 (20) and CB(343) at 9.019 37.076 53.788 in (null):A-9999 (46) other bump:2.49588 Ang CD1(146) at 7.65882 36.9017 55.1508 in (null):I-9999 (20) and CA(342) at 10.033 37.586 54.798 in (null):A-9999 (46) other bump:2.81207 Ang CD1(146) at 7.65882 36.9017 55.1508 in (null):I-9999 (20) and N(341) at 9.64 38.891 55.31 in (null):A-9999 (46) other bump:2.4359 Ang CD(216) at -4.27531 34.8861 44.5488 in (null):R-9999 (29) and NH2(281) at -5.053 35.151 46.842 in (null):R-9999 (37) other bump:1.38354 Ang NE(217) at -4.61811 34.3078 45.835 in (null):R-9999 (29) and NH2(281) at -5.053 35.151 46.842 in (null):R-9999 (37) other bump:1.51998 Ang NH1(219) at -6.374 35.7269 46.3586 in (null):R-9999 (29) and NH2(281) at -5.053 35.151 46.842 in (null):R-9999 (37) other bump:0.671347 Ang CZ(218) at -5.54814 34.726 46.6841 in (null):R-9999 (29) and NH2(281) at -5.053 35.151 46.842 in (null):R-9999 (37) other bump:1.58851 Ang NH2(220) at -5.71644 34.1567 47.8883 in (null):R-9999 (29) and NH2(281) at -5.053 35.151 46.842 in (null):R-9999 (37) other bump:1.88789 Ang NE(217) at -4.61811 34.3078 45.835 in (null):R-9999 (29) and NH1(280) at -3.19 33.831 46.974 in (null):R-9999 (37) other bump:2.53887 Ang CZ(218) at -5.54814 34.726 46.6841 in (null):R-9999 (29) and NH1(280) at -3.19 33.831 46.974 in (null):R-9999 (37) other bump:2.70646 Ang NH2(220) at -5.71644 34.1567 47.8883 in (null):R-9999 (29) and NH1(280) at -3.19 33.831 46.974 in (null):R-9999 (37) other bump:2.57734 Ang CD(216) at -4.27531 34.8861 44.5488 in (null):R-9999 (29) and CZ(279) at -3.758 35.023 47.07 in (null):R-9999 (37) other bump:1.6663 Ang NE(217) at -4.61811 34.3078 45.835 in (null):R-9999 (29) and CZ(279) at -3.758 35.023 47.07 in (null):R-9999 (37) other bump:2.80089 Ang NH1(219) at -6.374 35.7269 46.3586 in (null):R-9999 (29) and CZ(279) at -3.758 35.023 47.07 in (null):R-9999 (37) other bump:1.85518 Ang CZ(218) at -5.54814 34.726 46.6841 in (null):R-9999 (29) and CZ(279) at -3.758 35.023 47.07 in (null):R-9999 (37) other bump:2.29248 Ang NH2(220) at -5.71644 34.1567 47.8883 in (null):R-9999 (29) and CZ(279) at -3.758 35.023 47.07 in (null):R-9999 (37) other bump:2.83911 Ang NE(217) at -4.61811 34.3078 45.835 in (null):R-9999 (29) and NE(278) at -3.032 36.09 47.374 in (null):R-9999 (37) other bump:2.94404 Ang CZ(218) at -5.54814 34.726 46.6841 in (null):R-9999 (29) and NE(278) at -3.032 36.09 47.374 in (null):R-9999 (37) other bump:2.40751 Ang NH1(219) at -6.374 35.7269 46.3586 in (null):R-9999 (29) and OE2(248) at -6.657 37.921 45.409 in (null):E-9999 (33) other bump:2.80583 Ang CD(227) at -4.83607 41.1746 38.9125 in (null):K-9999 (30) and CB(238) at -2.42855 42.5334 39.3925 in (null):S-9999 (32) other bump:2.88816 Ang CG(226) at -4.21319 39.8788 38.3936 in (null):K-9999 (30) and N(236) at -1.425 40.365 38.969 in (null):S-9999 (32) other bump:3.0654 Ang CB(76) at 12.71 33.701 62.578 in (null):A-9999 (11) and CD2(129) at 11.0353 32.8792 60.1456 in (null):L-9999 (18) other bump:2.77135 Ang CA(56) at 9.6 36.779 62.061 in (null):A-9999 (8) and CD1(128) at 10.7042 35.3509 59.9582 in (null):L-9999 (18) other bump:3.05224 Ang CB(57) at 9.05 37.724 60.932 in (null):A-9999 (8) and CD1(128) at 10.7042 35.3509 59.9582 in (null):L-9999 (18) T0147_twice 211 :AVDFPPERILNVSPRRLLNFLESRGMAPIAEFADL 1qfeA 173 :VMPQSKHDVLTLLTATLEMQQHYADRPVITMSMAK Fragment has 84 clashes (null) has 84 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 2.00792 Ang O(262) at 0.814 22.736 38.025 in (null):A-9999 (33) and CG(267) at -0.692949 21.7135 37.1792 in (null):D-9999 (34) neighbor-bump: 2.75729 Ang C(263) at 1.273 22.231 39.042 in (null):A-9999 (33) and CG(267) at -0.692949 21.7135 37.1792 in (null):D-9999 (34) other bump:2.61461 Ang O(73) at 2.778 30.578 33.897 in (null):I-9999 (9) and CZ(256) at 2.35592 30.9863 36.4448 in (null):F-9999 (32) other bump:2.13321 Ang N(91) at 1.635 32.892 35.813 in (null):V-9999 (12) and CZ(256) at 2.35592 30.9863 36.4448 in (null):F-9999 (32) other bump:1.77621 Ang CA(92) at 2.575 32.687 36.908 in (null):V-9999 (12) and CZ(256) at 2.35592 30.9863 36.4448 in (null):F-9999 (32) other bump:0.955762 Ang CB(93) at 2.6374 31.2095 37.3305 in (null):V-9999 (12) and CZ(256) at 2.35592 30.9863 36.4448 in (null):F-9999 (32) other bump:2.34855 Ang CG1(94) at 3.75431 30.9778 38.3316 in (null):V-9999 (12) and CZ(256) at 2.35592 30.9863 36.4448 in (null):F-9999 (32) other bump:1.84673 Ang CG2(95) at 1.29081 30.7933 37.941 in (null):V-9999 (12) and CZ(256) at 2.35592 30.9863 36.4448 in (null):F-9999 (32) other bump:2.71859 Ang C(97) at 3.981 33.164 36.531 in (null):V-9999 (12) and CZ(256) at 2.35592 30.9863 36.4448 in (null):F-9999 (32) other bump:2.97619 Ang N(98) at 4.441 32.8 35.34 in (null):S-9999 (13) and CZ(256) at 2.35592 30.9863 36.4448 in (null):F-9999 (32) other bump:2.66433 Ang O(73) at 2.778 30.578 33.897 in (null):I-9999 (9) and CE2(255) at 3.61346 30.4104 36.4214 in (null):F-9999 (32) other bump:2.54911 Ang CA(92) at 2.575 32.687 36.908 in (null):V-9999 (12) and CE2(255) at 3.61346 30.4104 36.4214 in (null):F-9999 (32) other bump:1.55486 Ang CB(93) at 2.6374 31.2095 37.3305 in (null):V-9999 (12) and CE2(255) at 3.61346 30.4104 36.4214 in (null):F-9999 (32) other bump:1.99769 Ang CG1(94) at 3.75431 30.9778 38.3316 in (null):V-9999 (12) and CE2(255) at 3.61346 30.4104 36.4214 in (null):F-9999 (32) other bump:2.80188 Ang CG2(95) at 1.29081 30.7933 37.941 in (null):V-9999 (12) and CE2(255) at 3.61346 30.4104 36.4214 in (null):F-9999 (32) other bump:2.78015 Ang C(97) at 3.981 33.164 36.531 in (null):V-9999 (12) and CE2(255) at 3.61346 30.4104 36.4214 in (null):F-9999 (32) other bump:2.75032 Ang N(98) at 4.441 32.8 35.34 in (null):S-9999 (13) and CE2(255) at 3.61346 30.4104 36.4214 in (null):F-9999 (32) other bump:2.40822 Ang O(65) at -0.434 30.584 35.086 in (null):R-9999 (8) and CE1(254) at 1.24389 30.1856 36.7669 in (null):F-9999 (32) other bump:2.83704 Ang CA(92) at 2.575 32.687 36.908 in (null):V-9999 (12) and CE1(254) at 1.24389 30.1856 36.7669 in (null):F-9999 (32) other bump:1.81873 Ang CB(93) at 2.6374 31.2095 37.3305 in (null):V-9999 (12) and CE1(254) at 1.24389 30.1856 36.7669 in (null):F-9999 (32) other bump:1.32288 Ang CG2(95) at 1.29081 30.7933 37.941 in (null):V-9999 (12) and CE1(254) at 1.24389 30.1856 36.7669 in (null):F-9999 (32) other bump:2.50405 Ang CB(93) at 2.6374 31.2095 37.3305 in (null):V-9999 (12) and CD2(253) at 3.77783 29.0674 36.7131 in (null):F-9999 (32) other bump:2.504 Ang CG1(94) at 3.75431 30.9778 38.3316 in (null):V-9999 (12) and CD2(253) at 3.77783 29.0674 36.7131 in (null):F-9999 (32) other bump:2.43135 Ang OD1(18) at -0.746404 27.8591 36.5538 in (null):D-9999 (3) and CD1(252) at 1.41967 28.8423 37.0566 in (null):F-9999 (32) other bump:3.06476 Ang OD2(19) at 0.465253 26.0659 36.1772 in (null):D-9999 (3) and CD1(252) at 1.41967 28.8423 37.0566 in (null):F-9999 (32) other bump:2.67605 Ang CB(93) at 2.6374 31.2095 37.3305 in (null):V-9999 (12) and CD1(252) at 1.41967 28.8423 37.0566 in (null):F-9999 (32) other bump:2.14592 Ang CG2(95) at 1.29081 30.7933 37.941 in (null):V-9999 (12) and CD1(252) at 1.41967 28.8423 37.0566 in (null):F-9999 (32) other bump:2.96035 Ang CB(93) at 2.6374 31.2095 37.3305 in (null):V-9999 (12) and CG(251) at 2.68233 28.264 37.0368 in (null):F-9999 (32) other bump:3.02503 Ang CG2(95) at 1.29081 30.7933 37.941 in (null):V-9999 (12) and CG(251) at 2.68233 28.264 37.0368 in (null):F-9999 (32) neighbor-bump: 2.47262 Ang CA(215) at 15.053 36.184 46.469 in (null):A-9999 (27) and CD(223) at 13.2546 36.5819 44.8194 in (null):P-9999 (28) neighbor-bump: 1.94141 Ang C(218) at 13.564 35.853 46.592 in (null):A-9999 (27) and CD(223) at 13.2546 36.5819 44.8194 in (null):P-9999 (28) other bump:3.05371 Ang CG(194) at 10.7433 39.9515 44.2382 in (null):R-9999 (24) and CG(222) at 11.8721 37.1422 44.6369 in (null):P-9999 (28) other bump:2.5698 Ang CB(151) at 7.83932 39.6353 41.5542 in (null):N-9999 (19) and NH2(199) at 7.26712 37.438 42.7577 in (null):R-9999 (24) other bump:2.65102 Ang CG(152) at 8.25791 39.8883 42.9635 in (null):N-9999 (19) and NH2(199) at 7.26712 37.438 42.7577 in (null):R-9999 (24) other bump:2.53857 Ang ND2(153) at 9.0851 39.0407 43.5132 in (null):N-9999 (19) and NH2(199) at 7.26712 37.438 42.7577 in (null):R-9999 (24) other bump:1.37571 Ang CB(151) at 7.83932 39.6353 41.5542 in (null):N-9999 (19) and NH1(198) at 8.6365 38.5493 41.2753 in (null):R-9999 (24) other bump:2.32677 Ang CA(150) at 8.186 40.741 40.637 in (null):N-9999 (19) and NH1(198) at 8.6365 38.5493 41.2753 in (null):R-9999 (24) other bump:2.18779 Ang CG(152) at 8.25791 39.8883 42.9635 in (null):N-9999 (19) and NH1(198) at 8.6365 38.5493 41.2753 in (null):R-9999 (24) other bump:2.69043 Ang C(156) at 9.706 40.937 40.648 in (null):N-9999 (19) and NH1(198) at 8.6365 38.5493 41.2753 in (null):R-9999 (24) other bump:2.68513 Ang N(157) at 10.433 40.058 39.969 in (null):F-9999 (20) and NH1(198) at 8.6365 38.5493 41.2753 in (null):R-9999 (24) other bump:2.33475 Ang ND2(153) at 9.0851 39.0407 43.5132 in (null):N-9999 (19) and NH1(198) at 8.6365 38.5493 41.2753 in (null):R-9999 (24) other bump:1.60051 Ang CB(151) at 7.83932 39.6353 41.5542 in (null):N-9999 (19) and CZ(197) at 8.16314 38.3899 42.506 in (null):R-9999 (24) other bump:2.69275 Ang OD1(154) at 7.77025 40.824 43.5884 in (null):N-9999 (19) and CZ(197) at 8.16314 38.3899 42.506 in (null):R-9999 (24) other bump:3.00351 Ang CA(150) at 8.186 40.741 40.637 in (null):N-9999 (19) and CZ(197) at 8.16314 38.3899 42.506 in (null):R-9999 (24) other bump:1.56954 Ang CG(152) at 8.25791 39.8883 42.9635 in (null):N-9999 (19) and CZ(197) at 8.16314 38.3899 42.506 in (null):R-9999 (24) other bump:1.51263 Ang ND2(153) at 9.0851 39.0407 43.5132 in (null):N-9999 (19) and CZ(197) at 8.16314 38.3899 42.506 in (null):R-9999 (24) other bump:2.13241 Ang CB(151) at 7.83932 39.6353 41.5542 in (null):N-9999 (19) and NE(196) at 8.57911 39.166 43.4983 in (null):R-9999 (24) other bump:1.84704 Ang OD1(154) at 7.77025 40.824 43.5884 in (null):N-9999 (19) and NE(196) at 8.57911 39.166 43.4983 in (null):R-9999 (24) other bump:0.954414 Ang CG(152) at 8.25791 39.8883 42.9635 in (null):N-9999 (19) and NE(196) at 8.57911 39.166 43.4983 in (null):R-9999 (24) other bump:0.521492 Ang ND2(153) at 9.0851 39.0407 43.5132 in (null):N-9999 (19) and NE(196) at 8.57911 39.166 43.4983 in (null):R-9999 (24) other bump:2.57232 Ang CB(151) at 7.83932 39.6353 41.5542 in (null):N-9999 (19) and CD(195) at 9.56464 40.2309 43.3667 in (null):R-9999 (24) other bump:1.90283 Ang OD1(154) at 7.77025 40.824 43.5884 in (null):N-9999 (19) and CD(195) at 9.56464 40.2309 43.3667 in (null):R-9999 (24) other bump:3.10036 Ang CA(150) at 8.186 40.741 40.637 in (null):N-9999 (19) and CD(195) at 9.56464 40.2309 43.3667 in (null):R-9999 (24) other bump:1.40978 Ang CG(152) at 8.25791 39.8883 42.9635 in (null):N-9999 (19) and CD(195) at 9.56464 40.2309 43.3667 in (null):R-9999 (24) other bump:2.81248 Ang C(156) at 9.706 40.937 40.648 in (null):N-9999 (19) and CD(195) at 9.56464 40.2309 43.3667 in (null):R-9999 (24) other bump:1.29155 Ang ND2(153) at 9.0851 39.0407 43.5132 in (null):N-9999 (19) and CD(195) at 9.56464 40.2309 43.3667 in (null):R-9999 (24) other bump:2.79388 Ang CG(152) at 8.25791 39.8883 42.9635 in (null):N-9999 (19) and CG(194) at 10.7433 39.9515 44.2382 in (null):R-9999 (24) other bump:2.02601 Ang ND2(153) at 9.0851 39.0407 43.5132 in (null):N-9999 (19) and CG(194) at 10.7433 39.9515 44.2382 in (null):R-9999 (24) other bump:2.4326 Ang ND2(87) at -1.85107 34.882 36.8318 in (null):N-9999 (11) and NH2(119) at -0.81461 33.5869 38.6111 in (null):R-9999 (15) other bump:2.41497 Ang CG(86) at -1.46797 35.1853 35.621 in (null):N-9999 (11) and NH1(118) at -1.65908 35.6339 37.9862 in (null):R-9999 (15) other bump:1.39098 Ang ND2(87) at -1.85107 34.882 36.8318 in (null):N-9999 (11) and NH1(118) at -1.65908 35.6339 37.9862 in (null):R-9999 (15) other bump:3.0935 Ang CG(86) at -1.46797 35.1853 35.621 in (null):N-9999 (11) and CZ(117) at -0.729886 34.9144 38.6129 in (null):R-9999 (15) other bump:2.10483 Ang ND2(87) at -1.85107 34.882 36.8318 in (null):N-9999 (11) and CZ(117) at -0.729886 34.9144 38.6129 in (null):R-9999 (15) other bump:2.60385 Ang C(82) at 1.81 33.075 32.574 in (null):L-9999 (10) and CD(108) at 3.64593 34.6391 33.5554 in (null):P-9999 (14) other bump:1.41925 Ang O(81) at 2.713 33.892 32.79 in (null):L-9999 (10) and CD(108) at 3.64593 34.6391 33.5554 in (null):P-9999 (14) other bump:3.00428 Ang C(90) at 1.313 34.107 35.372 in (null):N-9999 (11) and CD(108) at 3.64593 34.6391 33.5554 in (null):P-9999 (14) other bump:2.96274 Ang C(82) at 1.81 33.075 32.574 in (null):L-9999 (10) and CG(107) at 3.12195 35.7306 32.6409 in (null):P-9999 (14) other bump:1.88941 Ang O(81) at 2.713 33.892 32.79 in (null):L-9999 (10) and CG(107) at 3.12195 35.7306 32.6409 in (null):P-9999 (14) other bump:2.68942 Ang OD2(19) at 0.465253 26.0659 36.1772 in (null):D-9999 (3) and CG1(70) at 1.00492 26.3179 33.5546 in (null):I-9999 (9) other bump:2.66628 Ang CD(37) at -6.32479 26.8596 33.641 in (null):P-9999 (5) and NH1(63) at -8.06998 27.0706 35.6457 in (null):R-9999 (8) other bump:2.53829 Ang CA(23) at -6.351 25.233 35.312 in (null):F-9999 (4) and NH1(63) at -8.06998 27.0706 35.6457 in (null):R-9999 (8) other bump:1.22455 Ang CB(24) at -7.62115 25.9313 35.6546 in (null):F-9999 (4) and NH1(63) at -8.06998 27.0706 35.6457 in (null):R-9999 (8) other bump:1.92116 Ang CG(25) at -7.96411 25.8349 37.113 in (null):F-9999 (4) and NH1(63) at -8.06998 27.0706 35.6457 in (null):R-9999 (8) other bump:2.2744 Ang CD2(27) at -7.9614 26.9721 37.9154 in (null):F-9999 (4) and NH1(63) at -8.06998 27.0706 35.6457 in (null):R-9999 (8) other bump:2.49159 Ang CB(24) at -7.62115 25.9313 35.6546 in (null):F-9999 (4) and CZ(62) at -8.04358 28.3802 35.8344 in (null):R-9999 (8) other bump:2.84944 Ang CG(25) at -7.96411 25.8349 37.113 in (null):F-9999 (4) and CZ(62) at -8.04358 28.3802 35.8344 in (null):R-9999 (8) other bump:2.51391 Ang CD2(27) at -7.9614 26.9721 37.9154 in (null):F-9999 (4) and CZ(62) at -8.04358 28.3802 35.8344 in (null):R-9999 (8) other bump:2.67533 Ang CD(37) at -6.32479 26.8596 33.641 in (null):P-9999 (5) and CD(60) at -5.59286 28.5056 35.619 in (null):R-9999 (8) other bump:2.63279 Ang N(22) at -5.173 25.915 35.829 in (null):F-9999 (4) and CD(60) at -5.59286 28.5056 35.619 in (null):R-9999 (8) neighbor-bump: 1.73007 Ang C(32) at -6.251 25.137 33.784 in (null):F-9999 (4) and CD(37) at -6.32479 26.8596 33.641 in (null):P-9999 (5) neighbor-bump: 2.6469 Ang N(22) at -5.173 25.915 35.829 in (null):F-9999 (4) and CD(37) at -6.32479 26.8596 33.641 in (null):P-9999 (5) neighbor-bump: 2.33208 Ang CA(23) at -6.351 25.233 35.312 in (null):F-9999 (4) and CD(37) at -6.32479 26.8596 33.641 in (null):P-9999 (5) neighbor-bump: 2.56842 Ang CB(24) at -7.62115 25.9313 35.6546 in (null):F-9999 (4) and CD(37) at -6.32479 26.8596 33.641 in (null):P-9999 (5) neighbor-bump: 2.68418 Ang C(32) at -6.251 25.137 33.784 in (null):F-9999 (4) and CG(36) at -6.99797 27.2614 32.3232 in (null):P-9999 (5) T0147_twice 383 :EIDVKAVAEAAAKHQVALEINNSSFLHSRKGSEDNCREVAAAVR 1qfeA 208 :EGVISRLAGEVFGSAATFGAVKQASAPGQIAVNDLRSVLMILHN Fragment has 80 clashes (null) has 80 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 46 residues other bump:2.37251 Ang O(298) at 20.614 24.994 34.381 in (null):V-9999 (39) and CG2(319) at 21.6614 26.983 35.1396 in (null):V-9999 (43) other bump:2.6192 Ang CG1(51) at 13.4508 23.349 33.0381 in (null):V-9999 (7) and CG(287) at 15.3449 21.6832 32.3324 in (null):E-9999 (38) other bump:2.54981 Ang CD(136) at 15.9124 18.782 41.297 in (null):E-9999 (19) and ND2(263) at 15.332 20.9336 40.0578 in (null):N-9999 (35) other bump:1.83168 Ang OE1(137) at 16.5218 19.7416 40.778 in (null):E-9999 (19) and ND2(263) at 15.332 20.9336 40.0578 in (null):N-9999 (35) other bump:2.97248 Ang CG(135) at 14.4351 18.943 41.6017 in (null):E-9999 (19) and CG(262) at 14.7789 20.3709 39.0174 in (null):N-9999 (35) other bump:3.00096 Ang CD(136) at 15.9124 18.782 41.297 in (null):E-9999 (19) and CG(262) at 14.7789 20.3709 39.0174 in (null):N-9999 (35) other bump:2.556 Ang OE1(137) at 16.5218 19.7416 40.778 in (null):E-9999 (19) and CG(262) at 14.7789 20.3709 39.0174 in (null):N-9999 (35) other bump:2.84991 Ang CG(135) at 14.4351 18.943 41.6017 in (null):E-9999 (19) and CB(261) at 15.0124 18.912 38.8111 in (null):N-9999 (35) other bump:2.64704 Ang CD(136) at 15.9124 18.782 41.297 in (null):E-9999 (19) and CB(261) at 15.0124 18.912 38.8111 in (null):N-9999 (35) other bump:2.61447 Ang OE1(137) at 16.5218 19.7416 40.778 in (null):E-9999 (19) and CB(261) at 15.0124 18.912 38.8111 in (null):N-9999 (35) other bump:2.48672 Ang OE2(138) at 16.4676 17.7001 41.5842 in (null):E-9999 (19) and C(241) at 17.094 15.63 40.357 in (null):S-9999 (32) other bump:2.24357 Ang OE2(138) at 16.4676 17.7001 41.5842 in (null):E-9999 (19) and O(240) at 17.635 16.665 39.972 in (null):S-9999 (32) other bump:2.34154 Ang OE2(138) at 16.4676 17.7001 41.5842 in (null):E-9999 (19) and CB(238) at 16.5882 15.6804 42.7628 in (null):S-9999 (32) other bump:3.0929 Ang CD(136) at 15.9124 18.782 41.297 in (null):E-9999 (19) and CA(237) at 15.979 15.691 41.382 in (null):S-9999 (32) other bump:2.07749 Ang OE2(138) at 16.4676 17.7001 41.5842 in (null):E-9999 (19) and CA(237) at 15.979 15.691 41.382 in (null):S-9999 (32) other bump:2.99755 Ang CD1(146) at 8.11307 14.3831 42.1861 in (null):I-9999 (20) and C(222) at 8.294 16.666 40.252 in (null):R-9999 (29) other bump:2.46741 Ang CD1(146) at 8.11307 14.3831 42.1861 in (null):I-9999 (20) and O(221) at 7.6 15.655 40.135 in (null):R-9999 (29) other bump:2.71235 Ang CE2(184) at 9.59993 19.4513 47.5001 in (null):F-9999 (25) and NH2(220) at 7.67875 21.3466 47.2289 in (null):R-9999 (29) other bump:1.92686 Ang CD1(181) at 7.049 19.9777 48.4297 in (null):F-9999 (25) and NH2(220) at 7.67875 21.3466 47.2289 in (null):R-9999 (29) other bump:0.711108 Ang CE1(183) at 7.79232 20.9856 47.8309 in (null):F-9999 (25) and NH2(220) at 7.67875 21.3466 47.2289 in (null):R-9999 (29) other bump:1.52715 Ang CZ(185) at 9.06714 20.726 47.3679 in (null):F-9999 (25) and NH2(220) at 7.67875 21.3466 47.2289 in (null):R-9999 (29) other bump:2.83265 Ang CD2(129) at 10.454 21.729 47.648 in (null):L-9999 (18) and NH2(220) at 7.67875 21.3466 47.2289 in (null):R-9999 (29) other bump:2.01915 Ang CE2(184) at 9.59993 19.4513 47.5001 in (null):F-9999 (25) and NH1(219) at 9.44316 20.7012 45.9221 in (null):R-9999 (29) other bump:2.53964 Ang CE1(183) at 7.79232 20.9856 47.8309 in (null):F-9999 (25) and NH1(219) at 9.44316 20.7012 45.9221 in (null):R-9999 (29) other bump:1.49417 Ang CZ(185) at 9.06714 20.726 47.3679 in (null):F-9999 (25) and NH1(219) at 9.44316 20.7012 45.9221 in (null):R-9999 (29) other bump:1.5043 Ang CB(126) at 10.318 21.634 45.13 in (null):L-9999 (18) and NH1(219) at 9.44316 20.7012 45.9221 in (null):R-9999 (29) other bump:1.98859 Ang CG(127) at 10.336 22.403 46.433 in (null):L-9999 (18) and NH1(219) at 9.44316 20.7012 45.9221 in (null):R-9999 (29) other bump:2.24881 Ang CD2(129) at 10.454 21.729 47.648 in (null):L-9999 (18) and NH1(219) at 9.44316 20.7012 45.9221 in (null):R-9999 (29) other bump:2.96714 Ang CG(180) at 7.56921 18.6984 48.569 in (null):F-9999 (25) and CZ(218) at 8.17387 20.5129 46.3005 in (null):R-9999 (29) other bump:2.81877 Ang CD2(182) at 8.84833 18.4485 48.0975 in (null):F-9999 (25) and CZ(218) at 8.17387 20.5129 46.3005 in (null):R-9999 (29) other bump:2.1447 Ang CE2(184) at 9.59993 19.4513 47.5001 in (null):F-9999 (25) and CZ(218) at 8.17387 20.5129 46.3005 in (null):R-9999 (29) other bump:2.46688 Ang CD1(181) at 7.049 19.9777 48.4297 in (null):F-9999 (25) and CZ(218) at 8.17387 20.5129 46.3005 in (null):R-9999 (29) other bump:1.64659 Ang CE1(183) at 7.79232 20.9856 47.8309 in (null):F-9999 (25) and CZ(218) at 8.17387 20.5129 46.3005 in (null):R-9999 (29) other bump:1.40814 Ang CZ(185) at 9.06714 20.726 47.3679 in (null):F-9999 (25) and CZ(218) at 8.17387 20.5129 46.3005 in (null):R-9999 (29) other bump:2.6878 Ang CB(126) at 10.318 21.634 45.13 in (null):L-9999 (18) and CZ(218) at 8.17387 20.5129 46.3005 in (null):R-9999 (29) other bump:2.8749 Ang CG(127) at 10.336 22.403 46.433 in (null):L-9999 (18) and CZ(218) at 8.17387 20.5129 46.3005 in (null):R-9999 (29) other bump:2.91443 Ang CD2(129) at 10.454 21.729 47.648 in (null):L-9999 (18) and CZ(218) at 8.17387 20.5129 46.3005 in (null):R-9999 (29) other bump:2.94042 Ang CG(180) at 7.56921 18.6984 48.569 in (null):F-9999 (25) and NE(217) at 7.43773 19.5512 45.758 in (null):R-9999 (29) other bump:2.7785 Ang CE2(184) at 9.59993 19.4513 47.5001 in (null):F-9999 (25) and NE(217) at 7.43773 19.5512 45.758 in (null):R-9999 (29) other bump:2.73332 Ang CD1(181) at 7.049 19.9777 48.4297 in (null):F-9999 (25) and NE(217) at 7.43773 19.5512 45.758 in (null):R-9999 (29) other bump:2.57429 Ang CZ(185) at 9.06714 20.726 47.3679 in (null):F-9999 (25) and NE(217) at 7.43773 19.5512 45.758 in (null):R-9999 (29) other bump:3.01537 Ang CG1(144) at 9.09819 14.9011 43.2392 in (null):I-9999 (20) and CB(214) at 8.06367 17.6443 42.5342 in (null):R-9999 (29) neighbor-bump: 2.76003 Ang C(205) at 2.98 18.732 41.379 in (null):H-9999 (27) and OG(209) at 2.74627 20.3563 39.1598 in (null):S-9999 (28) neighbor-bump: 2.53881 Ang C(205) at 2.98 18.732 41.379 in (null):H-9999 (27) and CB(208) at 4.09217 20.1206 39.5678 in (null):S-9999 (28) neighbor-bump: 2.12311 Ang O(204) at 3.097 19.956 41.436 in (null):H-9999 (27) and CB(208) at 4.09217 20.1206 39.5678 in (null):S-9999 (28) other bump:2.28713 Ang OG(174) at 6.02793 16.2061 44.21 in (null):S-9999 (24) and O(194) at 4.441 17.804 43.811 in (null):L-9999 (26) neighbor-bump: 2.18265 Ang O(186) at 3.934 18.308 48.619 in (null):F-9999 (25) and CD1(192) at 3.29369 20.3752 48.3349 in (null):L-9999 (26) other bump:2.71983 Ang CB(126) at 10.318 21.634 45.13 in (null):L-9999 (18) and CZ(185) at 9.06714 20.726 47.3679 in (null):F-9999 (25) other bump:2.3014 Ang CG(127) at 10.336 22.403 46.433 in (null):L-9999 (18) and CZ(185) at 9.06714 20.726 47.3679 in (null):F-9999 (25) other bump:1.73431 Ang CD2(129) at 10.454 21.729 47.648 in (null):L-9999 (18) and CZ(185) at 9.06714 20.726 47.3679 in (null):F-9999 (25) other bump:2.43705 Ang CD2(129) at 10.454 21.729 47.648 in (null):L-9999 (18) and CE2(184) at 9.59993 19.4513 47.5001 in (null):F-9999 (25) other bump:2.76958 Ang CD2(129) at 10.454 21.729 47.648 in (null):L-9999 (18) and CE1(183) at 7.79232 20.9856 47.8309 in (null):F-9999 (25) other bump:2.88022 Ang CD1(146) at 8.11307 14.3831 42.1861 in (null):I-9999 (20) and CB(173) at 6.21991 14.8086 44.3146 in (null):S-9999 (24) other bump:3.07017 Ang CG2(145) at 9.93218 12.7205 44.1483 in (null):I-9999 (20) and C(170) at 7.945 12.418 46.469 in (null):S-9999 (23) self-bump: 1.32588 Ang CA(158) at 11.427 9.298 46.198 in (null):N-9999 (22) and CB(159) at 11.3907 8.30074 47.071 in (null):N-9999 (22) neighbor-bump: 2.75268 Ang OD1(154) at 12.8026 11.018 47.8493 in (null):N-9999 (21) and CA(158) at 11.427 9.298 46.198 in (null):N-9999 (22) neighbor-bump: 1.74214 Ang OD1(154) at 12.8026 11.018 47.8493 in (null):N-9999 (21) and N(157) at 12.184 10.538 46.293 in (null):N-9999 (22) neighbor-bump: 2.57218 Ang CG(152) at 13.9394 11.4875 47.9157 in (null):N-9999 (21) and N(157) at 12.184 10.538 46.293 in (null):N-9999 (22) self-bump: 2.43041 Ang OD1(154) at 12.8026 11.018 47.8493 in (null):N-9999 (21) and C(156) at 13.163 10.845 45.452 in (null):N-9999 (21) self-bump: 2.19114 Ang CB(151) at 14.6919 11.8597 46.6494 in (null):N-9999 (21) and C(156) at 13.163 10.845 45.452 in (null):N-9999 (21) self-bump: 1.32649 Ang CA(150) at 13.836 12.186 45.69 in (null):N-9999 (21) and CB(151) at 14.6919 11.8597 46.6494 in (null):N-9999 (21) other bump:3.19268 Ang CD(64) at 14.6625 29.1354 41.0935 in (null):E-9999 (9) and CA(113) at 14.857 27.924 44.041 in (null):V-9999 (16) other bump:2.95183 Ang OE1(65) at 15.5396 28.3315 41.1982 in (null):E-9999 (9) and CA(113) at 14.857 27.924 44.041 in (null):V-9999 (16) other bump:2.84479 Ang OE2(66) at 13.8742 29.5544 41.9271 in (null):E-9999 (9) and CA(113) at 14.857 27.924 44.041 in (null):V-9999 (16) other bump:2.50645 Ang CD(64) at 14.6625 29.1354 41.0935 in (null):E-9999 (9) and N(112) at 14.766 29.306 43.592 in (null):V-9999 (16) other bump:1.90497 Ang OE2(66) at 13.8742 29.5544 41.9271 in (null):E-9999 (9) and N(112) at 14.766 29.306 43.592 in (null):V-9999 (16) other bump:2.88791 Ang CD(64) at 14.6625 29.1354 41.0935 in (null):E-9999 (9) and C(111) at 15.835 30.09 43.554 in (null):Q-9999 (15) other bump:2.95453 Ang OE1(65) at 15.5396 28.3315 41.1982 in (null):E-9999 (9) and C(111) at 15.835 30.09 43.554 in (null):Q-9999 (15) other bump:2.60353 Ang OE2(66) at 13.8742 29.5544 41.9271 in (null):E-9999 (9) and C(111) at 15.835 30.09 43.554 in (null):Q-9999 (15) other bump:3.26728 Ang CD(64) at 14.6625 29.1354 41.0935 in (null):E-9999 (9) and CA(104) at 15.634 31.524 43.1 in (null):Q-9999 (15) other bump:2.88994 Ang OE2(66) at 13.8742 29.5544 41.9271 in (null):E-9999 (9) and CA(104) at 15.634 31.524 43.1 in (null):Q-9999 (15) other bump:3.13806 Ang CD(64) at 14.6625 29.1354 41.0935 in (null):E-9999 (9) and N(103) at 14.344 31.903 42.538 in (null):Q-9999 (15) other bump:2.34915 Ang CG(63) at 14.3627 29.8567 39.7356 in (null):E-9999 (9) and C(102) at 13.973 31.557 41.309 in (null):H-9999 (14) other bump:2.52701 Ang CD(64) at 14.6625 29.1354 41.0935 in (null):E-9999 (9) and C(102) at 13.973 31.557 41.309 in (null):H-9999 (14) other bump:2.09811 Ang OE2(66) at 13.8742 29.5544 41.9271 in (null):E-9999 (9) and C(102) at 13.973 31.557 41.309 in (null):H-9999 (14) other bump:1.3322 Ang CG(63) at 14.3627 29.8567 39.7356 in (null):E-9999 (9) and O(101) at 14.658 30.837 40.588 in (null):H-9999 (14) other bump:1.77507 Ang CD(64) at 14.6625 29.1354 41.0935 in (null):E-9999 (9) and O(101) at 14.658 30.837 40.588 in (null):H-9999 (14) other bump:2.01308 Ang OE2(66) at 13.8742 29.5544 41.9271 in (null):E-9999 (9) and O(101) at 14.658 30.837 40.588 in (null):H-9999 (14) other bump:2.93828 Ang CG(63) at 14.3627 29.8567 39.7356 in (null):E-9999 (9) and CB(95) at 11.711 30.9016 40.4498 in (null):H-9999 (14) other bump:3.01956 Ang CG(63) at 14.3627 29.8567 39.7356 in (null):E-9999 (9) and CA(94) at 12.624 32.073 40.823 in (null):H-9999 (14) Number of specific fragments= 8 total=355 Number of alignments=26 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/2bjxA/T0147_twice-2bjxA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 2bjxA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/2bjxA/T0147_twice-2bjxA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # adding 2bjxA to template set 2bjxA:# found chain 2bjxA in template set T0147_twice 10 :TVASTH 2bjxA 121 :TTLPDG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0147_twice 45 :EDAPHHW 2bjxA 127 :AAAESLV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.83885 Ang C(30) at 4.543 12.469 -0.926 in (null):P-9999 (4) and NE1(59) at 2.59454 12.2124 1.1226 in (null):W-9999 (7) other bump:2.59972 Ang CA(25) at 5.075 11.923 0.4 in (null):P-9999 (4) and NE1(59) at 2.59454 12.2124 1.1226 in (null):W-9999 (7) other bump:2.38575 Ang O(29) at 3.381 12.803 -1.051 in (null):P-9999 (4) and NE1(59) at 2.59454 12.2124 1.1226 in (null):W-9999 (7) other bump:2.78261 Ang O(29) at 3.381 12.803 -1.051 in (null):P-9999 (4) and CE2(57) at 1.50502 13.0424 0.990158 in (null):W-9999 (7) other bump:2.95105 Ang CA(25) at 5.075 11.923 0.4 in (null):P-9999 (4) and CD1(55) at 2.27592 10.9991 0.542427 in (null):W-9999 (7) other bump:2.64844 Ang O(29) at 3.381 12.803 -1.051 in (null):P-9999 (4) and CD1(55) at 2.27592 10.9991 0.542427 in (null):W-9999 (7) T0147_twice 122 :ASGNVHIISHPGNPKYEIDVKAVAEAAAKHQVALEINNSS 2bjxA 134 :ESSEVAVIGFFKDVESDSAKQFLQAAEAIDDIPFGITSNS Fragment has 44 clashes (null) has 44 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.14375 Ang ND2(272) at 13.6292 3.42831 -0.171463 in (null):N-9999 (37) and OG(287) at 14.1692 4.11335 1.78681 in (null):S-9999 (39) other bump:2.41578 Ang ND2(272) at 13.6292 3.42831 -0.171463 in (null):N-9999 (37) and CB(286) at 15.4839 3.9083 1.30021 in (null):S-9999 (39) other bump:2.44539 Ang CG2(54) at 6.079 3.485 -0.279 in (null):I-9999 (8) and OE1(256) at 6.73941 5.22375 -1.86661 in (null):E-9999 (35) other bump:2.54382 Ang CD1(55) at 4.494 5.89 -0.874 in (null):I-9999 (8) and OE1(256) at 6.73941 5.22375 -1.86661 in (null):E-9999 (35) other bump:2.70526 Ang CD1(47) at -0.288232 -1.20022 -3.25678 in (null):I-9999 (7) and CD2(248) at 1.022 -2.001 -5.484 in (null):L-9999 (34) other bump:2.80938 Ang C(99) at 13.533 -7.692 -3.059 in (null):P-9999 (14) and OD2(143) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (19) other bump:2.6703 Ang CB(95) at 13.2348 -5.19747 -2.8887 in (null):P-9999 (14) and OD2(143) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (19) other bump:2.75238 Ang C(92) at 14.209 -7.412 -0.218 in (null):N-9999 (13) and OD2(143) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (19) other bump:2.29032 Ang N(93) at 14.028 -6.384 -1.003 in (null):P-9999 (14) and OD2(143) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (19) other bump:1.71293 Ang CA(94) at 13.129 -6.498 -2.189 in (null):P-9999 (14) and OD2(143) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (19) other bump:2.42181 Ang CB(76) at 10.3281 -5.07929 1.06204 in (null):P-9999 (11) and OD1(142) at 9.90358 -7.14688 -0.125415 in (null):D-9999 (19) other bump:3.07444 Ang CB(76) at 10.3281 -5.07929 1.06204 in (null):P-9999 (11) and CG(141) at 10.6759 -7.23329 -1.10394 in (null):D-9999 (19) other bump:2.78129 Ang CA(94) at 13.129 -6.498 -2.189 in (null):P-9999 (14) and CG(141) at 10.6759 -7.23329 -1.10394 in (null):D-9999 (19) other bump:3.26896 Ang CA(94) at 13.129 -6.498 -2.189 in (null):P-9999 (14) and CB(140) at 10.2974 -8.12935 -2.27093 in (null):D-9999 (19) other bump:2.83847 Ang CB(87) at 15.2733 -8.61183 1.69357 in (null):N-9999 (13) and OH(118) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (16) other bump:1.7287 Ang ND2(89) at 15.8512 -8.74006 4.03168 in (null):N-9999 (13) and OH(118) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (16) other bump:1.53463 Ang CG(88) at 16.2982 -8.52594 2.80452 in (null):N-9999 (13) and OH(118) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (16) other bump:1.55836 Ang OD1(90) at 17.473 -8.1973 2.56758 in (null):N-9999 (13) and OH(118) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (16) other bump:1.90663 Ang CB(87) at 15.2733 -8.61183 1.69357 in (null):N-9999 (13) and CZ(117) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (16) other bump:1.88309 Ang ND2(89) at 15.8512 -8.74006 4.03168 in (null):N-9999 (13) and CZ(117) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (16) other bump:1.38162 Ang CG(88) at 16.2982 -8.52594 2.80452 in (null):N-9999 (13) and CZ(117) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (16) other bump:2.04656 Ang OD1(90) at 17.473 -8.1973 2.56758 in (null):N-9999 (13) and CZ(117) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (16) other bump:0.534498 Ang CB(87) at 15.2733 -8.61183 1.69357 in (null):N-9999 (13) and CE2(116) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (16) other bump:2.04859 Ang ND2(89) at 15.8512 -8.74006 4.03168 in (null):N-9999 (13) and CE2(116) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (16) other bump:2.75897 Ang N(85) at 14.466 -6.406 2.028 in (null):N-9999 (13) and CE2(116) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (16) other bump:2.06068 Ang CA(86) at 15.141 -7.227 0.983 in (null):N-9999 (13) and CE2(116) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (16) other bump:3.01768 Ang C(92) at 14.209 -7.412 -0.218 in (null):N-9999 (13) and CE2(116) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (16) other bump:1.20562 Ang CG(88) at 16.2982 -8.52594 2.80452 in (null):N-9999 (13) and CE2(116) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (16) other bump:2.19617 Ang OD1(90) at 17.473 -8.1973 2.56758 in (null):N-9999 (13) and CE2(116) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (16) other bump:2.87054 Ang CB(87) at 15.2733 -8.61183 1.69357 in (null):N-9999 (13) and CE1(115) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (16) other bump:3.00885 Ang ND2(89) at 15.8512 -8.74006 4.03168 in (null):N-9999 (13) and CE1(115) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (16) other bump:2.75622 Ang CG(88) at 16.2982 -8.52594 2.80452 in (null):N-9999 (13) and CE1(115) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (16) other bump:1.24223 Ang CB(87) at 15.2733 -8.61183 1.69357 in (null):N-9999 (13) and CD2(114) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (16) other bump:2.05068 Ang O(91) at 13.658 -8.474 -0.43 in (null):N-9999 (13) and CD2(114) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (16) other bump:2.30176 Ang CA(86) at 15.141 -7.227 0.983 in (null):N-9999 (13) and CD2(114) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (16) other bump:2.47008 Ang C(92) at 14.209 -7.412 -0.218 in (null):N-9999 (13) and CD2(114) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (16) other bump:2.59288 Ang CG(88) at 16.2982 -8.52594 2.80452 in (null):N-9999 (13) and CD2(114) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (16) other bump:2.49115 Ang CB(87) at 15.2733 -8.61183 1.69357 in (null):N-9999 (13) and CG(112) at 14.2647 -10.7723 0.971673 in (null):Y-9999 (16) neighbor-bump: 3.06937 Ang C(49) at 1.975 2.318 -1.92 in (null):I-9999 (7) and CG1(53) at 4.055 4.498 -1.335 in (null):I-9999 (8) other bump:2.72946 Ang C(1) at -0.277 11.184 -2.812 in (null):G-9999 (0) and NE2(39) at 0.272249 8.66747 -1.90902 in (null):H-9999 (6) other bump:3.24477 Ang C(1) at -0.277 11.184 -2.812 in (null):G-9999 (0) and CE1(38) at 1.4237 8.43822 -2.50084 in (null):H-9999 (6) neighbor-bump: 2.61661 Ang OD1(22) at -7.28278 7.99904 -5.57427 in (null):N-9999 (4) and CG2(29) at -7.456 5.791 -4.181 in (null):V-9999 (5) neighbor-bump: 2.18298 Ang OD1(22) at -7.28278 7.99904 -5.57427 in (null):N-9999 (4) and N(25) at -5.328 7.651 -4.667 in (null):V-9999 (5) self-bump: 1.39213 Ang CA(18) at -5.804 10.025 -4.593 in (null):N-9999 (4) and CB(19) at -7.18907 10.1394 -4.5122 in (null):N-9999 (4) T0147_twice 218 :RILNVS 2bjxA 174 :DVFSKY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.50822 Ang O(11) at 12.611 7.536 5.783 in (null):R-9999 (1) and CG2(41) at 10.6 8.94244 6.30167 in (null):V-9999 (5) T0147_twice 307 :VVDGVGILRGIEANIKNVDGEID 2bjxA 180 :QLDKDGVVLFKKFDEGRNNFEGE Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.14078 Ang CG2(157) at -0.48458 -13.8322 8.22175 in (null):I-9999 (22) and N(161) at 0.631 -12.604 6.869 in (null):D-9999 (23) self-bump: 2.42001 Ang CG2(157) at -0.48458 -13.8322 8.22175 in (null):I-9999 (22) and C(160) at 0.724 -11.766 7.866 in (null):I-9999 (22) self-bump: 1.29603 Ang CA(154) at -0.532 -11.533 8.712 in (null):I-9999 (22) and CB(155) at -1.25634 -12.6057 8.6461 in (null):I-9999 (22) neighbor-bump: 3.22702 Ang CG1(128) at -2.62303 -0.757888 5.5578 in (null):V-9999 (18) and CA(133) at -1.11 -1.408 8.333 in (null):D-9999 (19) neighbor-bump: 2.16766 Ang CG1(128) at -2.62303 -0.757888 5.5578 in (null):V-9999 (18) and N(132) at -2.158 -0.586 7.668 in (null):D-9999 (19) other bump:2.71012 Ang N(55) at -0.767 1.161 2.919 in (null):R-9999 (9) and CG2(129) at -3.10705 1.30006 4.279 in (null):V-9999 (18) other bump:3.15194 Ang CA(56) at -1.326 1.893 1.747 in (null):R-9999 (9) and CG2(129) at -3.10705 1.30006 4.279 in (null):V-9999 (18) other bump:2.58796 Ang CB(57) at -2.88058 1.45546 1.70565 in (null):R-9999 (9) and CG2(129) at -3.10705 1.30006 4.279 in (null):V-9999 (18) other bump:3.13561 Ang N(55) at -0.767 1.161 2.919 in (null):R-9999 (9) and CB(127) at -2.43849 0.763484 5.54201 in (null):V-9999 (18) other bump:2.62075 Ang CA(79) at -6.505 10.955 1.028 in (null):E-9999 (12) and CE(113) at -6.48692 11.0821 3.64561 in (null):K-9999 (16) other bump:1.89419 Ang O(85) at -8.013 11.725 2.726 in (null):E-9999 (12) and CE(113) at -6.48692 11.0821 3.64561 in (null):K-9999 (16) other bump:2.23244 Ang C(86) at -7.796 10.915 1.845 in (null):E-9999 (12) and CE(113) at -6.48692 11.0821 3.64561 in (null):K-9999 (16) neighbor-bump: 2.06552 Ang O(106) at -6.356 9.287 7.548 in (null):I-9999 (15) and CG(111) at -5.73095 10.4401 5.9524 in (null):K-9999 (16) neighbor-bump: 2.79333 Ang C(107) at -6.842 8.219 7.231 in (null):I-9999 (15) and CG(111) at -5.73095 10.4401 5.9524 in (null):K-9999 (16) other bump:3.20233 Ang NE(60) at -5.7865 2.54829 -0.563585 in (null):R-9999 (9) and CD1(75) at -7.06345 4.16584 1.8875 in (null):I-9999 (11) other bump:2.93669 Ang CZ(61) at -7.09922 2.74166 -0.680494 in (null):R-9999 (9) and CD1(75) at -7.06345 4.16584 1.8875 in (null):I-9999 (11) other bump:2.55716 Ang NH1(62) at -7.92319 2.36524 0.288198 in (null):R-9999 (9) and CD1(75) at -7.06345 4.16584 1.8875 in (null):I-9999 (11) other bump:3.03476 Ang NE(60) at -5.7865 2.54829 -0.563585 in (null):R-9999 (9) and CG1(73) at -6.17099 5.08799 1.05253 in (null):I-9999 (11) other bump:3.06109 Ang CZ(61) at -7.09922 2.74166 -0.680494 in (null):R-9999 (9) and CG1(73) at -6.17099 5.08799 1.05253 in (null):I-9999 (11) other bump:2.2766 Ang CG1(12) at 8.44337 -1.16104 9.54114 in (null):V-9999 (2) and O(26) at 10.028 -2.606 8.777 in (null):G-9999 (4) T0147_twice 467 :VSPRRLLNFLESRGMAPIAEFAD 2bjxA 203 :VTKENLLDFIKHNQLPLVIEFTE Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues self-bump: 1.39562 Ang N(130) at -17.073 1.383 2.212 in (null):P-9999 (17) and CD(134) at -16.9463 2.19738 3.33827 in (null):P-9999 (17) neighbor-bump: 2.72953 Ang CB(127) at -15.733 4.032 1.722 in (null):A-9999 (16) and CD(134) at -16.9463 2.19738 3.33827 in (null):P-9999 (17) other bump:2.74139 Ang CA(3) at 2.703 -11.165 2.7 in (null):V-9999 (1) and NH2(41) at 1.57458 -13.4788 3.64237 in (null):R-9999 (5) other bump:2.64153 Ang C(8) at 2.495 -12.155 1.55 in (null):V-9999 (1) and NH2(41) at 1.57458 -13.4788 3.64237 in (null):R-9999 (5) other bump:2.07548 Ang O(0) at 0.598 -11.758 4.269 in (null):G-9999 (0) and NH2(41) at 1.57458 -13.4788 3.64237 in (null):R-9999 (5) other bump:1.70803 Ang C(1) at 1.681 -12.124 4.677 in (null):G-9999 (0) and NH2(41) at 1.57458 -13.4788 3.64237 in (null):R-9999 (5) other bump:2.02061 Ang N(2) at 2.773 -11.892 4.001 in (null):V-9999 (1) and NH2(41) at 1.57458 -13.4788 3.64237 in (null):R-9999 (5) other bump:2.58916 Ang CA(3) at 2.703 -11.165 2.7 in (null):V-9999 (1) and NH1(40) at 0.401403 -11.5106 3.83444 in (null):R-9999 (5) other bump:0.537286 Ang O(0) at 0.598 -11.758 4.269 in (null):G-9999 (0) and NH1(40) at 0.401403 -11.5106 3.83444 in (null):R-9999 (5) other bump:1.6503 Ang C(1) at 1.681 -12.124 4.677 in (null):G-9999 (0) and NH1(40) at 0.401403 -11.5106 3.83444 in (null):R-9999 (5) other bump:2.40783 Ang N(2) at 2.773 -11.892 4.001 in (null):V-9999 (1) and NH1(40) at 0.401403 -11.5106 3.83444 in (null):R-9999 (5) other bump:2.96898 Ang CA(3) at 2.703 -11.165 2.7 in (null):V-9999 (1) and CZ(39) at 0.405823 -12.8119 3.60855 in (null):R-9999 (5) other bump:3.00564 Ang C(8) at 2.495 -12.155 1.55 in (null):V-9999 (1) and CZ(39) at 0.405823 -12.8119 3.60855 in (null):R-9999 (5) other bump:2.97364 Ang N(9) at 1.371 -12.083 0.892 in (null):S-9999 (2) and CZ(39) at 0.405823 -12.8119 3.60855 in (null):R-9999 (5) other bump:1.25852 Ang O(0) at 0.598 -11.758 4.269 in (null):G-9999 (0) and CZ(39) at 0.405823 -12.8119 3.60855 in (null):R-9999 (5) other bump:1.80025 Ang C(1) at 1.681 -12.124 4.677 in (null):G-9999 (0) and CZ(39) at 0.405823 -12.8119 3.60855 in (null):R-9999 (5) other bump:2.56979 Ang N(2) at 2.773 -11.892 4.001 in (null):V-9999 (1) and CZ(39) at 0.405823 -12.8119 3.60855 in (null):R-9999 (5) Number of specific fragments= 6 total=361 Number of alignments=27 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/2bjxA/T0147_twice-2bjxA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 2bjxA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/2bjxA/T0147_twice-2bjxA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 2bjxA in template set T0147_twice 10 :TVASTH 2bjxA 121 :TTLPDG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0147_twice 48 :PHHW 2bjxA 127 :AAAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 119 :ATIASGNVHIISHPGNPKYEIDVKAVAEAAAKHQVALEINNSS 2bjxA 131 :SLVESSEVAVIGFFKDVESDSAKQFLQAAEAIDDIPFGITSNS Fragment has 65 clashes (null) has 65 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:2.14375 Ang ND2(292) at 13.6292 3.42831 -0.171463 in (null):N-9999 (40) and OG(307) at 14.1692 4.11335 1.78681 in (null):S-9999 (42) other bump:2.41578 Ang ND2(292) at 13.6292 3.42831 -0.171463 in (null):N-9999 (40) and CB(306) at 15.4839 3.9083 1.30021 in (null):S-9999 (42) other bump:2.44539 Ang CG2(74) at 6.079 3.485 -0.279 in (null):I-9999 (11) and OE1(276) at 6.73941 5.22375 -1.86661 in (null):E-9999 (38) other bump:2.54382 Ang CD1(75) at 4.494 5.89 -0.874 in (null):I-9999 (11) and OE1(276) at 6.73941 5.22375 -1.86661 in (null):E-9999 (38) other bump:2.70526 Ang CD1(67) at -0.288232 -1.20022 -3.25678 in (null):I-9999 (10) and CD2(268) at 1.022 -2.001 -5.484 in (null):L-9999 (37) other bump:2.80938 Ang C(119) at 13.533 -7.692 -3.059 in (null):P-9999 (17) and OD2(163) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (22) other bump:2.6703 Ang CB(115) at 13.2348 -5.19747 -2.8887 in (null):P-9999 (17) and OD2(163) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (22) other bump:2.75238 Ang C(112) at 14.209 -7.412 -0.218 in (null):N-9999 (16) and OD2(163) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (22) other bump:2.29032 Ang N(113) at 14.028 -6.384 -1.003 in (null):P-9999 (17) and OD2(163) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (22) other bump:1.71293 Ang CA(114) at 13.129 -6.498 -2.189 in (null):P-9999 (17) and OD2(163) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (22) other bump:2.42181 Ang CB(96) at 10.3281 -5.07929 1.06204 in (null):P-9999 (14) and OD1(162) at 9.90358 -7.14688 -0.125415 in (null):D-9999 (22) other bump:3.07444 Ang CB(96) at 10.3281 -5.07929 1.06204 in (null):P-9999 (14) and CG(161) at 10.6759 -7.23329 -1.10394 in (null):D-9999 (22) other bump:2.78129 Ang CA(114) at 13.129 -6.498 -2.189 in (null):P-9999 (17) and CG(161) at 10.6759 -7.23329 -1.10394 in (null):D-9999 (22) other bump:3.26896 Ang CA(114) at 13.129 -6.498 -2.189 in (null):P-9999 (17) and CB(160) at 10.2974 -8.12935 -2.27093 in (null):D-9999 (22) other bump:2.83847 Ang CB(107) at 15.2733 -8.61183 1.69357 in (null):N-9999 (16) and OH(138) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (19) other bump:1.7287 Ang ND2(109) at 15.8512 -8.74006 4.03168 in (null):N-9999 (16) and OH(138) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (19) other bump:1.53463 Ang CG(108) at 16.2982 -8.52594 2.80452 in (null):N-9999 (16) and OH(138) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (19) other bump:1.55836 Ang OD1(110) at 17.473 -8.1973 2.56758 in (null):N-9999 (16) and OH(138) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (19) other bump:1.90663 Ang CB(107) at 15.2733 -8.61183 1.69357 in (null):N-9999 (16) and CZ(137) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (19) other bump:1.88309 Ang ND2(109) at 15.8512 -8.74006 4.03168 in (null):N-9999 (16) and CZ(137) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (19) other bump:1.38162 Ang CG(108) at 16.2982 -8.52594 2.80452 in (null):N-9999 (16) and CZ(137) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (19) other bump:2.04656 Ang OD1(110) at 17.473 -8.1973 2.56758 in (null):N-9999 (16) and CZ(137) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (19) other bump:0.534498 Ang CB(107) at 15.2733 -8.61183 1.69357 in (null):N-9999 (16) and CE2(136) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (19) other bump:2.04859 Ang ND2(109) at 15.8512 -8.74006 4.03168 in (null):N-9999 (16) and CE2(136) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (19) other bump:2.75897 Ang N(105) at 14.466 -6.406 2.028 in (null):N-9999 (16) and CE2(136) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (19) other bump:2.06068 Ang CA(106) at 15.141 -7.227 0.983 in (null):N-9999 (16) and CE2(136) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (19) other bump:3.01768 Ang C(112) at 14.209 -7.412 -0.218 in (null):N-9999 (16) and CE2(136) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (19) other bump:1.20562 Ang CG(108) at 16.2982 -8.52594 2.80452 in (null):N-9999 (16) and CE2(136) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (19) other bump:2.19617 Ang OD1(110) at 17.473 -8.1973 2.56758 in (null):N-9999 (16) and CE2(136) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (19) other bump:2.87054 Ang CB(107) at 15.2733 -8.61183 1.69357 in (null):N-9999 (16) and CE1(135) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (19) other bump:3.00885 Ang ND2(109) at 15.8512 -8.74006 4.03168 in (null):N-9999 (16) and CE1(135) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (19) other bump:2.75622 Ang CG(108) at 16.2982 -8.52594 2.80452 in (null):N-9999 (16) and CE1(135) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (19) other bump:1.24223 Ang CB(107) at 15.2733 -8.61183 1.69357 in (null):N-9999 (16) and CD2(134) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (19) other bump:2.05068 Ang O(111) at 13.658 -8.474 -0.43 in (null):N-9999 (16) and CD2(134) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (19) other bump:2.30176 Ang CA(106) at 15.141 -7.227 0.983 in (null):N-9999 (16) and CD2(134) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (19) other bump:2.47008 Ang C(112) at 14.209 -7.412 -0.218 in (null):N-9999 (16) and CD2(134) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (19) other bump:2.59288 Ang CG(108) at 16.2982 -8.52594 2.80452 in (null):N-9999 (16) and CD2(134) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (19) other bump:2.49115 Ang CB(107) at 15.2733 -8.61183 1.69357 in (null):N-9999 (16) and CG(132) at 14.2647 -10.7723 0.971673 in (null):Y-9999 (19) neighbor-bump: 3.06937 Ang C(69) at 1.975 2.318 -1.92 in (null):I-9999 (10) and CG1(73) at 4.055 4.498 -1.335 in (null):I-9999 (11) other bump:2.95782 Ang C(13) at 2.056 9.825 -3.965 in (null):T-9999 (2) and NE2(59) at 0.272249 8.66747 -1.90902 in (null):H-9999 (9) other bump:2.04402 Ang N(14) at 1.778 9.808 -2.69 in (null):I-9999 (3) and NE2(59) at 0.272249 8.66747 -1.90902 in (null):H-9999 (9) other bump:1.2975 Ang CA(15) at 0.364 9.92 -2.235 in (null):I-9999 (3) and NE2(59) at 0.272249 8.66747 -1.90902 in (null):H-9999 (9) other bump:1.67768 Ang CB(16) at 0.225781 9.85787 -0.727756 in (null):I-9999 (3) and NE2(59) at 0.272249 8.66747 -1.90902 in (null):H-9999 (9) other bump:1.81447 Ang CG2(18) at 0.782732 8.5358 -0.172825 in (null):I-9999 (3) and NE2(59) at 0.272249 8.66747 -1.90902 in (null):H-9999 (9) other bump:2.72946 Ang C(21) at -0.277 11.184 -2.812 in (null):I-9999 (3) and NE2(59) at 0.272249 8.66747 -1.90902 in (null):H-9999 (9) other bump:3.08775 Ang CA(8) at 3.528 9.708 -4.37 in (null):T-9999 (2) and CE1(58) at 1.4237 8.43822 -2.50084 in (null):H-9999 (9) other bump:2.11346 Ang C(13) at 2.056 9.825 -3.965 in (null):T-9999 (2) and CE1(58) at 1.4237 8.43822 -2.50084 in (null):H-9999 (9) other bump:1.42745 Ang N(14) at 1.778 9.808 -2.69 in (null):I-9999 (3) and CE1(58) at 1.4237 8.43822 -2.50084 in (null):H-9999 (9) other bump:1.84101 Ang CA(15) at 0.364 9.92 -2.235 in (null):I-9999 (3) and CE1(58) at 1.4237 8.43822 -2.50084 in (null):H-9999 (9) other bump:2.56793 Ang CB(16) at 0.225781 9.85787 -0.727756 in (null):I-9999 (3) and CE1(58) at 1.4237 8.43822 -2.50084 in (null):H-9999 (9) other bump:2.41662 Ang CG2(18) at 0.782732 8.5358 -0.172825 in (null):I-9999 (3) and CE1(58) at 1.4237 8.43822 -2.50084 in (null):H-9999 (9) other bump:3.24477 Ang C(21) at -0.277 11.184 -2.812 in (null):I-9999 (3) and CE1(58) at 1.4237 8.43822 -2.50084 in (null):H-9999 (9) other bump:3.08208 Ang CB(9) at 4.03274 8.35047 -4.13927 in (null):T-9999 (2) and CE1(58) at 1.4237 8.43822 -2.50084 in (null):H-9999 (9) other bump:2.39264 Ang CG2(10) at 3.18086 7.31782 -4.85129 in (null):T-9999 (2) and ND1(57) at 1.26826 7.51171 -3.42683 in (null):H-9999 (9) other bump:2.50229 Ang C(13) at 2.056 9.825 -3.965 in (null):T-9999 (2) and ND1(57) at 1.26826 7.51171 -3.42683 in (null):H-9999 (9) other bump:2.46489 Ang N(14) at 1.778 9.808 -2.69 in (null):I-9999 (3) and ND1(57) at 1.26826 7.51171 -3.42683 in (null):H-9999 (9) other bump:2.83514 Ang CA(15) at 0.364 9.92 -2.235 in (null):I-9999 (3) and ND1(57) at 1.26826 7.51171 -3.42683 in (null):H-9999 (9) other bump:2.97547 Ang CB(9) at 4.03274 8.35047 -4.13927 in (null):T-9999 (2) and ND1(57) at 1.26826 7.51171 -3.42683 in (null):H-9999 (9) other bump:2.32718 Ang CA(15) at 0.364 9.92 -2.235 in (null):I-9999 (3) and CD2(56) at -0.682611 7.85972 -2.50994 in (null):H-9999 (9) other bump:2.82736 Ang CB(16) at 0.225781 9.85787 -0.727756 in (null):I-9999 (3) and CD2(56) at -0.682611 7.85972 -2.50994 in (null):H-9999 (9) other bump:2.84015 Ang CG2(18) at 0.782732 8.5358 -0.172825 in (null):I-9999 (3) and CD2(56) at -0.682611 7.85972 -2.50994 in (null):H-9999 (9) other bump:3.08512 Ang CA(15) at 0.364 9.92 -2.235 in (null):I-9999 (3) and CG(55) at -0.0577157 7.11414 -3.44633 in (null):H-9999 (9) neighbor-bump: 2.61661 Ang OD1(42) at -7.28278 7.99904 -5.57427 in (null):N-9999 (7) and CG2(49) at -7.456 5.791 -4.181 in (null):V-9999 (8) neighbor-bump: 2.18298 Ang OD1(42) at -7.28278 7.99904 -5.57427 in (null):N-9999 (7) and N(45) at -5.328 7.651 -4.667 in (null):V-9999 (8) self-bump: 1.39213 Ang CA(38) at -5.804 10.025 -4.593 in (null):N-9999 (7) and CB(39) at -7.18907 10.1394 -4.5122 in (null):N-9999 (7) T0147_twice 218 :RILNVSP 2bjxA 174 :DVFSKYQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.50822 Ang O(11) at 12.611 7.536 5.783 in (null):R-9999 (1) and CG2(41) at 10.6 8.94244 6.30167 in (null):V-9999 (5) T0147_twice 308 :VDGVGIL 2bjxA 181 :LDKDGVV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.27659 Ang CG1(5) at 8.44337 -1.16103 9.54113 in (null):V-9999 (1) and O(19) at 10.028 -2.606 8.777 in (null):G-9999 (3) T0147_twice 446 :EFEECLKILDAVDF 2bjxA 188 :LFKKFDEGRNNFEG Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 3.07036 Ang CE2(114) at 0.0759131 -15.3629 6.44573 in (null):F-9999 (14) and CA(119) at 1.818 -12.873 6.007 in (null):G-9999 (15) neighbor-bump: 2.86655 Ang CD2(112) at -0.588565 -14.1923 6.83459 in (null):F-9999 (14) and CA(119) at 1.818 -12.873 6.007 in (null):G-9999 (15) neighbor-bump: 2.84587 Ang CE2(114) at 0.0759131 -15.3629 6.44573 in (null):F-9999 (14) and N(118) at 0.631 -12.604 6.869 in (null):G-9999 (15) neighbor-bump: 2.23188 Ang CG(110) at -0.684296 -13.8356 8.186 in (null):F-9999 (14) and N(118) at 0.631 -12.604 6.869 in (null):G-9999 (15) neighbor-bump: 2.00284 Ang CD2(112) at -0.588565 -14.1923 6.83459 in (null):F-9999 (14) and N(118) at 0.631 -12.604 6.869 in (null):G-9999 (15) self-bump: 2.52365 Ang CG(110) at -0.684296 -13.8356 8.186 in (null):F-9999 (14) and C(117) at 0.724 -11.766 7.866 in (null):F-9999 (14) self-bump: 1.27966 Ang CA(108) at -0.532 -11.533 8.712 in (null):F-9999 (14) and CB(109) at -1.31416 -12.5377 8.58419 in (null):F-9999 (14) other bump:2.07668 Ang OE1(7) at -5.66879 1.73296 1.99591 in (null):E-9999 (1) and OD2(84) at -4.3958 1.39503 3.60151 in (null):D-9999 (10) other bump:2.37362 Ang CB(4) at -2.89347 1.44079 1.7644 in (null):E-9999 (1) and OD2(84) at -4.3958 1.39503 3.60151 in (null):D-9999 (10) other bump:1.93793 Ang CE(59) at -6.19914 3.9123 8.45963 in (null):K-9999 (7) and O(77) at -4.561 3.794 7.431 in (null):L-9999 (9) neighbor-bump: 2.42559 Ang O(61) at -6.356 9.287 7.548 in (null):K-9999 (7) and CG2(67) at -5.76711 10.5348 5.55311 in (null):I-9999 (8) neighbor-bump: 2.28927 Ang O(61) at -6.356 9.287 7.548 in (null):K-9999 (7) and CG1(66) at -4.11799 9.41916 7.08475 in (null):I-9999 (8) neighbor-bump: 2.98027 Ang C(62) at -6.842 8.219 7.231 in (null):K-9999 (7) and CG1(66) at -4.11799 9.41916 7.08475 in (null):I-9999 (8) neighbor-bump: 2.46778 Ang CB(48) at -11.316 6.88192 6.01553 in (null):L-9999 (6) and N(54) at -9.151 7.325 7.114 in (null):K-9999 (7) self-bump: 2.20163 Ang CB(48) at -11.316 6.88192 6.01553 in (null):L-9999 (6) and C(53) at -9.629 8.257 6.348 in (null):L-9999 (6) self-bump: 1.2447 Ang CA(47) at -10.807 7.871 5.457 in (null):L-9999 (6) and CB(48) at -11.316 6.88192 6.01553 in (null):L-9999 (6) neighbor-bump: 2.42255 Ang CB(42) at -11.0674 10.3852 2.46945 in (null):C-9999 (5) and N(46) at -10.863 8.752 4.247 in (null):L-9999 (6) self-bump: 2.18234 Ang CB(42) at -11.0674 10.3852 2.46945 in (null):C-9999 (5) and C(45) at -9.789 8.975 3.537 in (null):C-9999 (5) self-bump: 1.24053 Ang CA(41) at -9.94 9.89 2.319 in (null):C-9999 (5) and CB(42) at -11.0674 10.3852 2.46945 in (null):C-9999 (5) other bump:1.66252 Ang OE2(8) at -5.88851 2.36219 -0.104188 in (null):E-9999 (1) and OE1(27) at -7.18553 3.00079 0.716737 in (null):E-9999 (3) other bump:2.20946 Ang CD(6) at -5.18555 2.07749 0.887938 in (null):E-9999 (1) and OE1(27) at -7.18553 3.00079 0.716737 in (null):E-9999 (3) other bump:2.54607 Ang OE2(8) at -5.88851 2.36219 -0.104188 in (null):E-9999 (1) and CD(26) at -7.34884 4.23607 0.811522 in (null):E-9999 (3) other bump:3.05698 Ang CD(6) at -5.18555 2.07749 0.887938 in (null):E-9999 (1) and CD(26) at -7.34884 4.23607 0.811522 in (null):E-9999 (3) T0147_twice 466 :NVSPRRLLNFLESRGMAPIAEFAD 2bjxA 202 :EVTKENLLDFIKHNQLPLVIEFTE Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues self-bump: 1.39562 Ang N(138) at -17.073 1.383 2.212 in (null):P-9999 (18) and CD(142) at -16.9463 2.19738 3.33827 in (null):P-9999 (18) neighbor-bump: 2.72953 Ang CB(135) at -15.733 4.032 1.722 in (null):A-9999 (17) and CD(142) at -16.9463 2.19738 3.33827 in (null):P-9999 (18) other bump:2.21665 Ang CB(4) at 1.79165 -14.3859 5.65326 in (null):N-9999 (1) and NH2(49) at 1.57458 -13.4788 3.64237 in (null):R-9999 (6) other bump:2.02061 Ang N(10) at 2.773 -11.892 4.001 in (null):V-9999 (2) and NH2(49) at 1.57458 -13.4788 3.64237 in (null):R-9999 (6) other bump:2.74139 Ang CA(11) at 2.703 -11.165 2.7 in (null):V-9999 (2) and NH2(49) at 1.57458 -13.4788 3.64237 in (null):R-9999 (6) other bump:2.64153 Ang C(16) at 2.495 -12.155 1.55 in (null):V-9999 (2) and NH2(49) at 1.57458 -13.4788 3.64237 in (null):R-9999 (6) other bump:2.45312 Ang CA(3) at 1.818 -12.873 6.007 in (null):N-9999 (1) and NH2(49) at 1.57458 -13.4788 3.64237 in (null):R-9999 (6) other bump:2.07548 Ang O(8) at 0.598 -11.758 4.269 in (null):N-9999 (1) and NH2(49) at 1.57458 -13.4788 3.64237 in (null):R-9999 (6) other bump:1.70803 Ang C(9) at 1.681 -12.124 4.677 in (null):N-9999 (1) and NH2(49) at 1.57458 -13.4788 3.64237 in (null):R-9999 (6) other bump:2.40783 Ang N(10) at 2.773 -11.892 4.001 in (null):V-9999 (2) and NH1(48) at 0.401403 -11.5106 3.83444 in (null):R-9999 (6) other bump:2.58916 Ang CA(11) at 2.703 -11.165 2.7 in (null):V-9999 (2) and NH1(48) at 0.401403 -11.5106 3.83444 in (null):R-9999 (6) other bump:0.537286 Ang O(8) at 0.598 -11.758 4.269 in (null):N-9999 (1) and NH1(48) at 0.401403 -11.5106 3.83444 in (null):R-9999 (6) other bump:1.6503 Ang C(9) at 1.681 -12.124 4.677 in (null):N-9999 (1) and NH1(48) at 0.401403 -11.5106 3.83444 in (null):R-9999 (6) other bump:2.92894 Ang CB(4) at 1.79165 -14.3859 5.65326 in (null):N-9999 (1) and CZ(47) at 0.405823 -12.8119 3.60855 in (null):R-9999 (6) other bump:2.56979 Ang N(10) at 2.773 -11.892 4.001 in (null):V-9999 (2) and CZ(47) at 0.405823 -12.8119 3.60855 in (null):R-9999 (6) other bump:2.96898 Ang CA(11) at 2.703 -11.165 2.7 in (null):V-9999 (2) and CZ(47) at 0.405823 -12.8119 3.60855 in (null):R-9999 (6) other bump:3.00564 Ang C(16) at 2.495 -12.155 1.55 in (null):V-9999 (2) and CZ(47) at 0.405823 -12.8119 3.60855 in (null):R-9999 (6) other bump:2.97364 Ang N(17) at 1.371 -12.083 0.892 in (null):S-9999 (3) and CZ(47) at 0.405823 -12.8119 3.60855 in (null):R-9999 (6) other bump:2.78398 Ang CA(3) at 1.818 -12.873 6.007 in (null):N-9999 (1) and CZ(47) at 0.405823 -12.8119 3.60855 in (null):R-9999 (6) other bump:1.25852 Ang O(8) at 0.598 -11.758 4.269 in (null):N-9999 (1) and CZ(47) at 0.405823 -12.8119 3.60855 in (null):R-9999 (6) other bump:1.80025 Ang C(9) at 1.681 -12.124 4.677 in (null):N-9999 (1) and CZ(47) at 0.405823 -12.8119 3.60855 in (null):R-9999 (6) Number of specific fragments= 7 total=368 Number of alignments=28 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1bjx/T0147_twice-1bjx-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1bjx read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1bjx/T0147_twice-1bjx-2track-protein-STR-global-adpstyle5.pw.a2m.gz # adding 1bjx to template set 1bjx:# found chain 1bjx in template set T0147_twice 10 :TVASTH 1bjx 121 :TTLPDG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0147_twice 48 :PHHW 1bjx 127 :AAAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 119 :ATIASGNVHIISHPGNPKYEIDVKAVAEAAAKHQVALEINNSS 1bjx 131 :SLVESSEVAVIGFFKDVESDSAKQFLQAAEAIDDIPFGITSNS Fragment has 65 clashes (null) has 65 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:2.14375 Ang ND2(292) at 13.6292 3.42831 -0.171463 in (null):N-9999 (40) and OG(307) at 14.1692 4.11335 1.78681 in (null):S-9999 (42) other bump:2.41578 Ang ND2(292) at 13.6292 3.42831 -0.171463 in (null):N-9999 (40) and CB(306) at 15.4839 3.9083 1.30021 in (null):S-9999 (42) other bump:2.44539 Ang CG2(74) at 6.079 3.485 -0.279 in (null):I-9999 (11) and OE1(276) at 6.73941 5.22375 -1.86661 in (null):E-9999 (38) other bump:2.54382 Ang CD1(75) at 4.494 5.89 -0.874 in (null):I-9999 (11) and OE1(276) at 6.73941 5.22375 -1.86661 in (null):E-9999 (38) other bump:2.70526 Ang CD1(67) at -0.288232 -1.20022 -3.25678 in (null):I-9999 (10) and CD2(268) at 1.022 -2.001 -5.484 in (null):L-9999 (37) other bump:2.80938 Ang C(119) at 13.533 -7.692 -3.059 in (null):P-9999 (17) and OD2(163) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (22) other bump:2.6703 Ang CB(115) at 13.2348 -5.19747 -2.8887 in (null):P-9999 (17) and OD2(163) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (22) other bump:2.75238 Ang C(112) at 14.209 -7.412 -0.218 in (null):N-9999 (16) and OD2(163) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (22) other bump:2.29032 Ang N(113) at 14.028 -6.384 -1.003 in (null):P-9999 (17) and OD2(163) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (22) other bump:1.71293 Ang CA(114) at 13.129 -6.498 -2.189 in (null):P-9999 (17) and OD2(163) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (22) other bump:2.42181 Ang CB(96) at 10.3281 -5.07929 1.06204 in (null):P-9999 (14) and OD1(162) at 9.90358 -7.14688 -0.125415 in (null):D-9999 (22) other bump:3.07444 Ang CB(96) at 10.3281 -5.07929 1.06204 in (null):P-9999 (14) and CG(161) at 10.6759 -7.23329 -1.10394 in (null):D-9999 (22) other bump:2.78129 Ang CA(114) at 13.129 -6.498 -2.189 in (null):P-9999 (17) and CG(161) at 10.6759 -7.23329 -1.10394 in (null):D-9999 (22) other bump:3.26896 Ang CA(114) at 13.129 -6.498 -2.189 in (null):P-9999 (17) and CB(160) at 10.2974 -8.12935 -2.27093 in (null):D-9999 (22) other bump:2.83847 Ang CB(107) at 15.2733 -8.61183 1.69357 in (null):N-9999 (16) and OH(138) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (19) other bump:1.7287 Ang ND2(109) at 15.8512 -8.74006 4.03168 in (null):N-9999 (16) and OH(138) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (19) other bump:1.53463 Ang CG(108) at 16.2982 -8.52594 2.80452 in (null):N-9999 (16) and OH(138) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (19) other bump:1.55836 Ang OD1(110) at 17.473 -8.1973 2.56758 in (null):N-9999 (16) and OH(138) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (19) other bump:1.90663 Ang CB(107) at 15.2733 -8.61183 1.69357 in (null):N-9999 (16) and CZ(137) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (19) other bump:1.88309 Ang ND2(109) at 15.8512 -8.74006 4.03168 in (null):N-9999 (16) and CZ(137) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (19) other bump:1.38162 Ang CG(108) at 16.2982 -8.52594 2.80452 in (null):N-9999 (16) and CZ(137) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (19) other bump:2.04656 Ang OD1(110) at 17.473 -8.1973 2.56758 in (null):N-9999 (16) and CZ(137) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (19) other bump:0.534498 Ang CB(107) at 15.2733 -8.61183 1.69357 in (null):N-9999 (16) and CE2(136) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (19) other bump:2.04859 Ang ND2(109) at 15.8512 -8.74006 4.03168 in (null):N-9999 (16) and CE2(136) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (19) other bump:2.75897 Ang N(105) at 14.466 -6.406 2.028 in (null):N-9999 (16) and CE2(136) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (19) other bump:2.06068 Ang CA(106) at 15.141 -7.227 0.983 in (null):N-9999 (16) and CE2(136) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (19) other bump:3.01768 Ang C(112) at 14.209 -7.412 -0.218 in (null):N-9999 (16) and CE2(136) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (19) other bump:1.20562 Ang CG(108) at 16.2982 -8.52594 2.80452 in (null):N-9999 (16) and CE2(136) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (19) other bump:2.19617 Ang OD1(110) at 17.473 -8.1973 2.56758 in (null):N-9999 (16) and CE2(136) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (19) other bump:2.87054 Ang CB(107) at 15.2733 -8.61183 1.69357 in (null):N-9999 (16) and CE1(135) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (19) other bump:3.00885 Ang ND2(109) at 15.8512 -8.74006 4.03168 in (null):N-9999 (16) and CE1(135) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (19) other bump:2.75622 Ang CG(108) at 16.2982 -8.52594 2.80452 in (null):N-9999 (16) and CE1(135) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (19) other bump:1.24223 Ang CB(107) at 15.2733 -8.61183 1.69357 in (null):N-9999 (16) and CD2(134) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (19) other bump:2.05068 Ang O(111) at 13.658 -8.474 -0.43 in (null):N-9999 (16) and CD2(134) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (19) other bump:2.30176 Ang CA(106) at 15.141 -7.227 0.983 in (null):N-9999 (16) and CD2(134) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (19) other bump:2.47008 Ang C(112) at 14.209 -7.412 -0.218 in (null):N-9999 (16) and CD2(134) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (19) other bump:2.59288 Ang CG(108) at 16.2982 -8.52594 2.80452 in (null):N-9999 (16) and CD2(134) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (19) other bump:2.49115 Ang CB(107) at 15.2733 -8.61183 1.69357 in (null):N-9999 (16) and CG(132) at 14.2647 -10.7723 0.971673 in (null):Y-9999 (19) neighbor-bump: 3.06937 Ang C(69) at 1.975 2.318 -1.92 in (null):I-9999 (10) and CG1(73) at 4.055 4.498 -1.335 in (null):I-9999 (11) other bump:2.95782 Ang C(13) at 2.056 9.825 -3.965 in (null):T-9999 (2) and NE2(59) at 0.272249 8.66747 -1.90902 in (null):H-9999 (9) other bump:2.04402 Ang N(14) at 1.778 9.808 -2.69 in (null):I-9999 (3) and NE2(59) at 0.272249 8.66747 -1.90902 in (null):H-9999 (9) other bump:1.2975 Ang CA(15) at 0.364 9.92 -2.235 in (null):I-9999 (3) and NE2(59) at 0.272249 8.66747 -1.90902 in (null):H-9999 (9) other bump:1.67768 Ang CB(16) at 0.225781 9.85787 -0.727756 in (null):I-9999 (3) and NE2(59) at 0.272249 8.66747 -1.90902 in (null):H-9999 (9) other bump:1.81447 Ang CG2(18) at 0.782732 8.5358 -0.172825 in (null):I-9999 (3) and NE2(59) at 0.272249 8.66747 -1.90902 in (null):H-9999 (9) other bump:2.72946 Ang C(21) at -0.277 11.184 -2.812 in (null):I-9999 (3) and NE2(59) at 0.272249 8.66747 -1.90902 in (null):H-9999 (9) other bump:3.08775 Ang CA(8) at 3.528 9.708 -4.37 in (null):T-9999 (2) and CE1(58) at 1.4237 8.43822 -2.50084 in (null):H-9999 (9) other bump:2.11346 Ang C(13) at 2.056 9.825 -3.965 in (null):T-9999 (2) and CE1(58) at 1.4237 8.43822 -2.50084 in (null):H-9999 (9) other bump:1.42745 Ang N(14) at 1.778 9.808 -2.69 in (null):I-9999 (3) and CE1(58) at 1.4237 8.43822 -2.50084 in (null):H-9999 (9) other bump:1.84101 Ang CA(15) at 0.364 9.92 -2.235 in (null):I-9999 (3) and CE1(58) at 1.4237 8.43822 -2.50084 in (null):H-9999 (9) other bump:2.56793 Ang CB(16) at 0.225781 9.85787 -0.727756 in (null):I-9999 (3) and CE1(58) at 1.4237 8.43822 -2.50084 in (null):H-9999 (9) other bump:2.41662 Ang CG2(18) at 0.782732 8.5358 -0.172825 in (null):I-9999 (3) and CE1(58) at 1.4237 8.43822 -2.50084 in (null):H-9999 (9) other bump:3.24477 Ang C(21) at -0.277 11.184 -2.812 in (null):I-9999 (3) and CE1(58) at 1.4237 8.43822 -2.50084 in (null):H-9999 (9) other bump:3.08208 Ang CB(9) at 4.03274 8.35047 -4.13927 in (null):T-9999 (2) and CE1(58) at 1.4237 8.43822 -2.50084 in (null):H-9999 (9) other bump:2.39264 Ang CG2(10) at 3.18086 7.31782 -4.85129 in (null):T-9999 (2) and ND1(57) at 1.26826 7.51171 -3.42683 in (null):H-9999 (9) other bump:2.50229 Ang C(13) at 2.056 9.825 -3.965 in (null):T-9999 (2) and ND1(57) at 1.26826 7.51171 -3.42683 in (null):H-9999 (9) other bump:2.46489 Ang N(14) at 1.778 9.808 -2.69 in (null):I-9999 (3) and ND1(57) at 1.26826 7.51171 -3.42683 in (null):H-9999 (9) other bump:2.83514 Ang CA(15) at 0.364 9.92 -2.235 in (null):I-9999 (3) and ND1(57) at 1.26826 7.51171 -3.42683 in (null):H-9999 (9) other bump:2.97547 Ang CB(9) at 4.03274 8.35047 -4.13927 in (null):T-9999 (2) and ND1(57) at 1.26826 7.51171 -3.42683 in (null):H-9999 (9) other bump:2.32718 Ang CA(15) at 0.364 9.92 -2.235 in (null):I-9999 (3) and CD2(56) at -0.682611 7.85972 -2.50994 in (null):H-9999 (9) other bump:2.82736 Ang CB(16) at 0.225781 9.85787 -0.727756 in (null):I-9999 (3) and CD2(56) at -0.682611 7.85972 -2.50994 in (null):H-9999 (9) other bump:2.84015 Ang CG2(18) at 0.782732 8.5358 -0.172825 in (null):I-9999 (3) and CD2(56) at -0.682611 7.85972 -2.50994 in (null):H-9999 (9) other bump:3.08512 Ang CA(15) at 0.364 9.92 -2.235 in (null):I-9999 (3) and CG(55) at -0.0577157 7.11414 -3.44633 in (null):H-9999 (9) neighbor-bump: 2.61661 Ang OD1(42) at -7.28278 7.99904 -5.57427 in (null):N-9999 (7) and CG2(49) at -7.456 5.791 -4.181 in (null):V-9999 (8) neighbor-bump: 2.18298 Ang OD1(42) at -7.28278 7.99904 -5.57427 in (null):N-9999 (7) and N(45) at -5.328 7.651 -4.667 in (null):V-9999 (8) self-bump: 1.39213 Ang CA(38) at -5.804 10.025 -4.593 in (null):N-9999 (7) and CB(39) at -7.18907 10.1394 -4.5122 in (null):N-9999 (7) T0147_twice 218 :RILNVSP 1bjx 174 :DVFSKYQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.50822 Ang O(11) at 12.611 7.536 5.783 in (null):R-9999 (1) and CG2(41) at 10.6 8.94244 6.30167 in (null):V-9999 (5) T0147_twice 308 :VDGVGIL 1bjx 181 :LDKDGVV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.27659 Ang CG1(5) at 8.44337 -1.16103 9.54113 in (null):V-9999 (1) and O(19) at 10.028 -2.606 8.777 in (null):G-9999 (3) T0147_twice 446 :EFEECLKILDAVDF 1bjx 188 :LFKKFDEGRNNFEG Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 3.07036 Ang CE2(114) at 0.0759131 -15.3629 6.44573 in (null):F-9999 (14) and CA(119) at 1.818 -12.873 6.007 in (null):G-9999 (15) neighbor-bump: 2.86655 Ang CD2(112) at -0.588565 -14.1923 6.83459 in (null):F-9999 (14) and CA(119) at 1.818 -12.873 6.007 in (null):G-9999 (15) neighbor-bump: 2.84587 Ang CE2(114) at 0.0759131 -15.3629 6.44573 in (null):F-9999 (14) and N(118) at 0.631 -12.604 6.869 in (null):G-9999 (15) neighbor-bump: 2.23188 Ang CG(110) at -0.684296 -13.8356 8.186 in (null):F-9999 (14) and N(118) at 0.631 -12.604 6.869 in (null):G-9999 (15) neighbor-bump: 2.00284 Ang CD2(112) at -0.588565 -14.1923 6.83459 in (null):F-9999 (14) and N(118) at 0.631 -12.604 6.869 in (null):G-9999 (15) self-bump: 2.52365 Ang CG(110) at -0.684296 -13.8356 8.186 in (null):F-9999 (14) and C(117) at 0.724 -11.766 7.866 in (null):F-9999 (14) self-bump: 1.27966 Ang CA(108) at -0.532 -11.533 8.712 in (null):F-9999 (14) and CB(109) at -1.31416 -12.5377 8.58419 in (null):F-9999 (14) other bump:2.07668 Ang OE1(7) at -5.66879 1.73296 1.99591 in (null):E-9999 (1) and OD2(84) at -4.3958 1.39503 3.60151 in (null):D-9999 (10) other bump:2.37362 Ang CB(4) at -2.89347 1.44079 1.7644 in (null):E-9999 (1) and OD2(84) at -4.3958 1.39503 3.60151 in (null):D-9999 (10) other bump:1.93793 Ang CE(59) at -6.19914 3.9123 8.45963 in (null):K-9999 (7) and O(77) at -4.561 3.794 7.431 in (null):L-9999 (9) neighbor-bump: 2.42559 Ang O(61) at -6.356 9.287 7.548 in (null):K-9999 (7) and CG2(67) at -5.76711 10.5348 5.55311 in (null):I-9999 (8) neighbor-bump: 2.28927 Ang O(61) at -6.356 9.287 7.548 in (null):K-9999 (7) and CG1(66) at -4.11799 9.41916 7.08475 in (null):I-9999 (8) neighbor-bump: 2.98027 Ang C(62) at -6.842 8.219 7.231 in (null):K-9999 (7) and CG1(66) at -4.11799 9.41916 7.08475 in (null):I-9999 (8) neighbor-bump: 2.46778 Ang CB(48) at -11.316 6.88192 6.01553 in (null):L-9999 (6) and N(54) at -9.151 7.325 7.114 in (null):K-9999 (7) self-bump: 2.20163 Ang CB(48) at -11.316 6.88192 6.01553 in (null):L-9999 (6) and C(53) at -9.629 8.257 6.348 in (null):L-9999 (6) self-bump: 1.2447 Ang CA(47) at -10.807 7.871 5.457 in (null):L-9999 (6) and CB(48) at -11.316 6.88192 6.01553 in (null):L-9999 (6) neighbor-bump: 2.42255 Ang CB(42) at -11.0674 10.3852 2.46945 in (null):C-9999 (5) and N(46) at -10.863 8.752 4.247 in (null):L-9999 (6) self-bump: 2.18234 Ang CB(42) at -11.0674 10.3852 2.46945 in (null):C-9999 (5) and C(45) at -9.789 8.975 3.537 in (null):C-9999 (5) self-bump: 1.24053 Ang CA(41) at -9.94 9.89 2.319 in (null):C-9999 (5) and CB(42) at -11.0674 10.3852 2.46945 in (null):C-9999 (5) other bump:1.66252 Ang OE2(8) at -5.88851 2.36219 -0.104188 in (null):E-9999 (1) and OE1(27) at -7.18553 3.00079 0.716737 in (null):E-9999 (3) other bump:2.20946 Ang CD(6) at -5.18555 2.07749 0.887938 in (null):E-9999 (1) and OE1(27) at -7.18553 3.00079 0.716737 in (null):E-9999 (3) other bump:2.54607 Ang OE2(8) at -5.88851 2.36219 -0.104188 in (null):E-9999 (1) and CD(26) at -7.34884 4.23607 0.811522 in (null):E-9999 (3) other bump:3.05698 Ang CD(6) at -5.18555 2.07749 0.887938 in (null):E-9999 (1) and CD(26) at -7.34884 4.23607 0.811522 in (null):E-9999 (3) T0147_twice 466 :NVSPRRLLNFLESRGMAPIAEFAD 1bjx 202 :EVTKENLLDFIKHNQLPLVIEFTE Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues self-bump: 1.39562 Ang N(138) at -17.073 1.383 2.212 in (null):P-9999 (18) and CD(142) at -16.9463 2.19738 3.33827 in (null):P-9999 (18) neighbor-bump: 2.72953 Ang CB(135) at -15.733 4.032 1.722 in (null):A-9999 (17) and CD(142) at -16.9463 2.19738 3.33827 in (null):P-9999 (18) other bump:2.21665 Ang CB(4) at 1.79165 -14.3859 5.65326 in (null):N-9999 (1) and NH2(49) at 1.57458 -13.4788 3.64237 in (null):R-9999 (6) other bump:2.02061 Ang N(10) at 2.773 -11.892 4.001 in (null):V-9999 (2) and NH2(49) at 1.57458 -13.4788 3.64237 in (null):R-9999 (6) other bump:2.74139 Ang CA(11) at 2.703 -11.165 2.7 in (null):V-9999 (2) and NH2(49) at 1.57458 -13.4788 3.64237 in (null):R-9999 (6) other bump:2.64153 Ang C(16) at 2.495 -12.155 1.55 in (null):V-9999 (2) and NH2(49) at 1.57458 -13.4788 3.64237 in (null):R-9999 (6) other bump:2.45312 Ang CA(3) at 1.818 -12.873 6.007 in (null):N-9999 (1) and NH2(49) at 1.57458 -13.4788 3.64237 in (null):R-9999 (6) other bump:2.07548 Ang O(8) at 0.598 -11.758 4.269 in (null):N-9999 (1) and NH2(49) at 1.57458 -13.4788 3.64237 in (null):R-9999 (6) other bump:1.70803 Ang C(9) at 1.681 -12.124 4.677 in (null):N-9999 (1) and NH2(49) at 1.57458 -13.4788 3.64237 in (null):R-9999 (6) other bump:2.40783 Ang N(10) at 2.773 -11.892 4.001 in (null):V-9999 (2) and NH1(48) at 0.401403 -11.5106 3.83444 in (null):R-9999 (6) other bump:2.58916 Ang CA(11) at 2.703 -11.165 2.7 in (null):V-9999 (2) and NH1(48) at 0.401403 -11.5106 3.83444 in (null):R-9999 (6) other bump:0.537286 Ang O(8) at 0.598 -11.758 4.269 in (null):N-9999 (1) and NH1(48) at 0.401403 -11.5106 3.83444 in (null):R-9999 (6) other bump:1.6503 Ang C(9) at 1.681 -12.124 4.677 in (null):N-9999 (1) and NH1(48) at 0.401403 -11.5106 3.83444 in (null):R-9999 (6) other bump:2.92894 Ang CB(4) at 1.79165 -14.3859 5.65326 in (null):N-9999 (1) and CZ(47) at 0.405823 -12.8119 3.60855 in (null):R-9999 (6) other bump:2.56979 Ang N(10) at 2.773 -11.892 4.001 in (null):V-9999 (2) and CZ(47) at 0.405823 -12.8119 3.60855 in (null):R-9999 (6) other bump:2.96898 Ang CA(11) at 2.703 -11.165 2.7 in (null):V-9999 (2) and CZ(47) at 0.405823 -12.8119 3.60855 in (null):R-9999 (6) other bump:3.00564 Ang C(16) at 2.495 -12.155 1.55 in (null):V-9999 (2) and CZ(47) at 0.405823 -12.8119 3.60855 in (null):R-9999 (6) other bump:2.97364 Ang N(17) at 1.371 -12.083 0.892 in (null):S-9999 (3) and CZ(47) at 0.405823 -12.8119 3.60855 in (null):R-9999 (6) other bump:2.78398 Ang CA(3) at 1.818 -12.873 6.007 in (null):N-9999 (1) and CZ(47) at 0.405823 -12.8119 3.60855 in (null):R-9999 (6) other bump:1.25852 Ang O(8) at 0.598 -11.758 4.269 in (null):N-9999 (1) and CZ(47) at 0.405823 -12.8119 3.60855 in (null):R-9999 (6) other bump:1.80025 Ang C(9) at 1.681 -12.124 4.677 in (null):N-9999 (1) and CZ(47) at 0.405823 -12.8119 3.60855 in (null):R-9999 (6) Number of specific fragments= 7 total=375 Number of alignments=29 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1bjx/T0147_twice-1bjx-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1bjx read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1bjx/T0147_twice-1bjx-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1bjx in template set T0147_twice 10 :TVASTH 1bjx 121 :TTLPDG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0147_twice 45 :EDAPHHW 1bjx 127 :AAAESLV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.83885 Ang C(30) at 4.543 12.469 -0.926 in (null):P-9999 (4) and NE1(59) at 2.59454 12.2124 1.1226 in (null):W-9999 (7) other bump:2.59972 Ang CA(25) at 5.075 11.923 0.4 in (null):P-9999 (4) and NE1(59) at 2.59454 12.2124 1.1226 in (null):W-9999 (7) other bump:2.38575 Ang O(29) at 3.381 12.803 -1.051 in (null):P-9999 (4) and NE1(59) at 2.59454 12.2124 1.1226 in (null):W-9999 (7) other bump:2.78261 Ang O(29) at 3.381 12.803 -1.051 in (null):P-9999 (4) and CE2(57) at 1.50502 13.0424 0.990158 in (null):W-9999 (7) other bump:2.95105 Ang CA(25) at 5.075 11.923 0.4 in (null):P-9999 (4) and CD1(55) at 2.27592 10.9991 0.542427 in (null):W-9999 (7) other bump:2.64844 Ang O(29) at 3.381 12.803 -1.051 in (null):P-9999 (4) and CD1(55) at 2.27592 10.9991 0.542427 in (null):W-9999 (7) T0147_twice 122 :ASGNVHIISHPGNPKYEIDVKAVAEAAAKHQVALEINNSS 1bjx 134 :ESSEVAVIGFFKDVESDSAKQFLQAAEAIDDIPFGITSNS Fragment has 44 clashes (null) has 44 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.14375 Ang ND2(272) at 13.6292 3.42831 -0.171463 in (null):N-9999 (37) and OG(287) at 14.1692 4.11335 1.78681 in (null):S-9999 (39) other bump:2.41578 Ang ND2(272) at 13.6292 3.42831 -0.171463 in (null):N-9999 (37) and CB(286) at 15.4839 3.9083 1.30021 in (null):S-9999 (39) other bump:2.44539 Ang CG2(54) at 6.079 3.485 -0.279 in (null):I-9999 (8) and OE1(256) at 6.73941 5.22375 -1.86661 in (null):E-9999 (35) other bump:2.54382 Ang CD1(55) at 4.494 5.89 -0.874 in (null):I-9999 (8) and OE1(256) at 6.73941 5.22375 -1.86661 in (null):E-9999 (35) other bump:2.70526 Ang CD1(47) at -0.288232 -1.20022 -3.25678 in (null):I-9999 (7) and CD2(248) at 1.022 -2.001 -5.484 in (null):L-9999 (34) other bump:2.80938 Ang C(99) at 13.533 -7.692 -3.059 in (null):P-9999 (14) and OD2(143) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (19) other bump:2.6703 Ang CB(95) at 13.2348 -5.19747 -2.8887 in (null):P-9999 (14) and OD2(143) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (19) other bump:2.75238 Ang C(92) at 14.209 -7.412 -0.218 in (null):N-9999 (13) and OD2(143) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (19) other bump:2.29032 Ang N(93) at 14.028 -6.384 -1.003 in (null):P-9999 (14) and OD2(143) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (19) other bump:1.71293 Ang CA(94) at 13.129 -6.498 -2.189 in (null):P-9999 (14) and OD2(143) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (19) other bump:2.42181 Ang CB(76) at 10.3281 -5.07929 1.06204 in (null):P-9999 (11) and OD1(142) at 9.90358 -7.14688 -0.125415 in (null):D-9999 (19) other bump:3.07444 Ang CB(76) at 10.3281 -5.07929 1.06204 in (null):P-9999 (11) and CG(141) at 10.6759 -7.23329 -1.10394 in (null):D-9999 (19) other bump:2.78129 Ang CA(94) at 13.129 -6.498 -2.189 in (null):P-9999 (14) and CG(141) at 10.6759 -7.23329 -1.10394 in (null):D-9999 (19) other bump:3.26896 Ang CA(94) at 13.129 -6.498 -2.189 in (null):P-9999 (14) and CB(140) at 10.2974 -8.12935 -2.27093 in (null):D-9999 (19) other bump:2.83847 Ang CB(87) at 15.2733 -8.61183 1.69357 in (null):N-9999 (13) and OH(118) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (16) other bump:1.7287 Ang ND2(89) at 15.8512 -8.74006 4.03168 in (null):N-9999 (13) and OH(118) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (16) other bump:1.53463 Ang CG(88) at 16.2982 -8.52594 2.80452 in (null):N-9999 (13) and OH(118) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (16) other bump:1.55836 Ang OD1(90) at 17.473 -8.1973 2.56758 in (null):N-9999 (13) and OH(118) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (16) other bump:1.90663 Ang CB(87) at 15.2733 -8.61183 1.69357 in (null):N-9999 (13) and CZ(117) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (16) other bump:1.88309 Ang ND2(89) at 15.8512 -8.74006 4.03168 in (null):N-9999 (13) and CZ(117) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (16) other bump:1.38162 Ang CG(88) at 16.2982 -8.52594 2.80452 in (null):N-9999 (13) and CZ(117) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (16) other bump:2.04656 Ang OD1(90) at 17.473 -8.1973 2.56758 in (null):N-9999 (13) and CZ(117) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (16) other bump:0.534498 Ang CB(87) at 15.2733 -8.61183 1.69357 in (null):N-9999 (13) and CE2(116) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (16) other bump:2.04859 Ang ND2(89) at 15.8512 -8.74006 4.03168 in (null):N-9999 (13) and CE2(116) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (16) other bump:2.75897 Ang N(85) at 14.466 -6.406 2.028 in (null):N-9999 (13) and CE2(116) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (16) other bump:2.06068 Ang CA(86) at 15.141 -7.227 0.983 in (null):N-9999 (13) and CE2(116) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (16) other bump:3.01768 Ang C(92) at 14.209 -7.412 -0.218 in (null):N-9999 (13) and CE2(116) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (16) other bump:1.20562 Ang CG(88) at 16.2982 -8.52594 2.80452 in (null):N-9999 (13) and CE2(116) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (16) other bump:2.19617 Ang OD1(90) at 17.473 -8.1973 2.56758 in (null):N-9999 (13) and CE2(116) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (16) other bump:2.87054 Ang CB(87) at 15.2733 -8.61183 1.69357 in (null):N-9999 (13) and CE1(115) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (16) other bump:3.00885 Ang ND2(89) at 15.8512 -8.74006 4.03168 in (null):N-9999 (13) and CE1(115) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (16) other bump:2.75622 Ang CG(88) at 16.2982 -8.52594 2.80452 in (null):N-9999 (13) and CE1(115) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (16) other bump:1.24223 Ang CB(87) at 15.2733 -8.61183 1.69357 in (null):N-9999 (13) and CD2(114) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (16) other bump:2.05068 Ang O(91) at 13.658 -8.474 -0.43 in (null):N-9999 (13) and CD2(114) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (16) other bump:2.30176 Ang CA(86) at 15.141 -7.227 0.983 in (null):N-9999 (13) and CD2(114) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (16) other bump:2.47008 Ang C(92) at 14.209 -7.412 -0.218 in (null):N-9999 (13) and CD2(114) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (16) other bump:2.59288 Ang CG(88) at 16.2982 -8.52594 2.80452 in (null):N-9999 (13) and CD2(114) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (16) other bump:2.49115 Ang CB(87) at 15.2733 -8.61183 1.69357 in (null):N-9999 (13) and CG(112) at 14.2647 -10.7723 0.971673 in (null):Y-9999 (16) neighbor-bump: 3.06937 Ang C(49) at 1.975 2.318 -1.92 in (null):I-9999 (7) and CG1(53) at 4.055 4.498 -1.335 in (null):I-9999 (8) other bump:2.72946 Ang C(1) at -0.277 11.184 -2.812 in (null):G-9999 (0) and NE2(39) at 0.272249 8.66747 -1.90902 in (null):H-9999 (6) other bump:3.24477 Ang C(1) at -0.277 11.184 -2.812 in (null):G-9999 (0) and CE1(38) at 1.4237 8.43822 -2.50084 in (null):H-9999 (6) neighbor-bump: 2.61661 Ang OD1(22) at -7.28278 7.99904 -5.57427 in (null):N-9999 (4) and CG2(29) at -7.456 5.791 -4.181 in (null):V-9999 (5) neighbor-bump: 2.18298 Ang OD1(22) at -7.28278 7.99904 -5.57427 in (null):N-9999 (4) and N(25) at -5.328 7.651 -4.667 in (null):V-9999 (5) self-bump: 1.39213 Ang CA(18) at -5.804 10.025 -4.593 in (null):N-9999 (4) and CB(19) at -7.18907 10.1394 -4.5122 in (null):N-9999 (4) T0147_twice 218 :RILNVS 1bjx 174 :DVFSKY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.50822 Ang O(11) at 12.611 7.536 5.783 in (null):R-9999 (1) and CG2(41) at 10.6 8.94244 6.30167 in (null):V-9999 (5) T0147_twice 307 :VVDGVGILRGIEANIKNVDGEID 1bjx 180 :QLDKDGVVLFKKFDEGRNNFEGE Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.14078 Ang CG2(157) at -0.48458 -13.8322 8.22175 in (null):I-9999 (22) and N(161) at 0.631 -12.604 6.869 in (null):D-9999 (23) self-bump: 2.42001 Ang CG2(157) at -0.48458 -13.8322 8.22175 in (null):I-9999 (22) and C(160) at 0.724 -11.766 7.866 in (null):I-9999 (22) self-bump: 1.29603 Ang CA(154) at -0.532 -11.533 8.712 in (null):I-9999 (22) and CB(155) at -1.25634 -12.6057 8.6461 in (null):I-9999 (22) neighbor-bump: 3.22702 Ang CG1(128) at -2.62303 -0.757888 5.5578 in (null):V-9999 (18) and CA(133) at -1.11 -1.408 8.333 in (null):D-9999 (19) neighbor-bump: 2.16766 Ang CG1(128) at -2.62303 -0.757888 5.5578 in (null):V-9999 (18) and N(132) at -2.158 -0.586 7.668 in (null):D-9999 (19) other bump:2.71012 Ang N(55) at -0.767 1.161 2.919 in (null):R-9999 (9) and CG2(129) at -3.10705 1.30006 4.279 in (null):V-9999 (18) other bump:3.15194 Ang CA(56) at -1.326 1.893 1.747 in (null):R-9999 (9) and CG2(129) at -3.10705 1.30006 4.279 in (null):V-9999 (18) other bump:2.58796 Ang CB(57) at -2.88058 1.45546 1.70565 in (null):R-9999 (9) and CG2(129) at -3.10705 1.30006 4.279 in (null):V-9999 (18) other bump:3.13561 Ang N(55) at -0.767 1.161 2.919 in (null):R-9999 (9) and CB(127) at -2.43849 0.763484 5.54201 in (null):V-9999 (18) other bump:2.62075 Ang CA(79) at -6.505 10.955 1.028 in (null):E-9999 (12) and CE(113) at -6.48692 11.0821 3.64561 in (null):K-9999 (16) other bump:1.89419 Ang O(85) at -8.013 11.725 2.726 in (null):E-9999 (12) and CE(113) at -6.48692 11.0821 3.64561 in (null):K-9999 (16) other bump:2.23244 Ang C(86) at -7.796 10.915 1.845 in (null):E-9999 (12) and CE(113) at -6.48692 11.0821 3.64561 in (null):K-9999 (16) neighbor-bump: 2.06552 Ang O(106) at -6.356 9.287 7.548 in (null):I-9999 (15) and CG(111) at -5.73095 10.4401 5.9524 in (null):K-9999 (16) neighbor-bump: 2.79333 Ang C(107) at -6.842 8.219 7.231 in (null):I-9999 (15) and CG(111) at -5.73095 10.4401 5.9524 in (null):K-9999 (16) other bump:3.20233 Ang NE(60) at -5.7865 2.54829 -0.563585 in (null):R-9999 (9) and CD1(75) at -7.06345 4.16584 1.8875 in (null):I-9999 (11) other bump:2.93669 Ang CZ(61) at -7.09922 2.74166 -0.680494 in (null):R-9999 (9) and CD1(75) at -7.06345 4.16584 1.8875 in (null):I-9999 (11) other bump:2.55716 Ang NH1(62) at -7.92319 2.36524 0.288198 in (null):R-9999 (9) and CD1(75) at -7.06345 4.16584 1.8875 in (null):I-9999 (11) other bump:3.03476 Ang NE(60) at -5.7865 2.54829 -0.563585 in (null):R-9999 (9) and CG1(73) at -6.17099 5.08799 1.05253 in (null):I-9999 (11) other bump:3.06109 Ang CZ(61) at -7.09922 2.74166 -0.680494 in (null):R-9999 (9) and CG1(73) at -6.17099 5.08799 1.05253 in (null):I-9999 (11) other bump:2.2766 Ang CG1(12) at 8.44337 -1.16104 9.54114 in (null):V-9999 (2) and O(26) at 10.028 -2.606 8.777 in (null):G-9999 (4) T0147_twice 467 :VSPRRLLNFLESRGMAPIAEFAD 1bjx 203 :VTKENLLDFIKHNQLPLVIEFTE Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues self-bump: 1.39562 Ang N(130) at -17.073 1.383 2.212 in (null):P-9999 (17) and CD(134) at -16.9463 2.19738 3.33827 in (null):P-9999 (17) neighbor-bump: 2.72953 Ang CB(127) at -15.733 4.032 1.722 in (null):A-9999 (16) and CD(134) at -16.9463 2.19738 3.33827 in (null):P-9999 (17) other bump:2.74139 Ang CA(3) at 2.703 -11.165 2.7 in (null):V-9999 (1) and NH2(41) at 1.57458 -13.4788 3.64237 in (null):R-9999 (5) other bump:2.64153 Ang C(8) at 2.495 -12.155 1.55 in (null):V-9999 (1) and NH2(41) at 1.57458 -13.4788 3.64237 in (null):R-9999 (5) other bump:2.07548 Ang O(0) at 0.598 -11.758 4.269 in (null):G-9999 (0) and NH2(41) at 1.57458 -13.4788 3.64237 in (null):R-9999 (5) other bump:1.70803 Ang C(1) at 1.681 -12.124 4.677 in (null):G-9999 (0) and NH2(41) at 1.57458 -13.4788 3.64237 in (null):R-9999 (5) other bump:2.02061 Ang N(2) at 2.773 -11.892 4.001 in (null):V-9999 (1) and NH2(41) at 1.57458 -13.4788 3.64237 in (null):R-9999 (5) other bump:2.58916 Ang CA(3) at 2.703 -11.165 2.7 in (null):V-9999 (1) and NH1(40) at 0.401403 -11.5106 3.83444 in (null):R-9999 (5) other bump:0.537286 Ang O(0) at 0.598 -11.758 4.269 in (null):G-9999 (0) and NH1(40) at 0.401403 -11.5106 3.83444 in (null):R-9999 (5) other bump:1.6503 Ang C(1) at 1.681 -12.124 4.677 in (null):G-9999 (0) and NH1(40) at 0.401403 -11.5106 3.83444 in (null):R-9999 (5) other bump:2.40783 Ang N(2) at 2.773 -11.892 4.001 in (null):V-9999 (1) and NH1(40) at 0.401403 -11.5106 3.83444 in (null):R-9999 (5) other bump:2.96898 Ang CA(3) at 2.703 -11.165 2.7 in (null):V-9999 (1) and CZ(39) at 0.405823 -12.8119 3.60855 in (null):R-9999 (5) other bump:3.00564 Ang C(8) at 2.495 -12.155 1.55 in (null):V-9999 (1) and CZ(39) at 0.405823 -12.8119 3.60855 in (null):R-9999 (5) other bump:2.97364 Ang N(9) at 1.371 -12.083 0.892 in (null):S-9999 (2) and CZ(39) at 0.405823 -12.8119 3.60855 in (null):R-9999 (5) other bump:1.25852 Ang O(0) at 0.598 -11.758 4.269 in (null):G-9999 (0) and CZ(39) at 0.405823 -12.8119 3.60855 in (null):R-9999 (5) other bump:1.80025 Ang C(1) at 1.681 -12.124 4.677 in (null):G-9999 (0) and CZ(39) at 0.405823 -12.8119 3.60855 in (null):R-9999 (5) other bump:2.56979 Ang N(2) at 2.773 -11.892 4.001 in (null):V-9999 (1) and CZ(39) at 0.405823 -12.8119 3.60855 in (null):R-9999 (5) Number of specific fragments= 6 total=381 Number of alignments=30 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1mdl/T0147_twice-1mdl-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1mdl read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1mdl/T0147_twice-1mdl-2track-protein-STR-local-adpstyle5.pw.a2m.gz # adding 1mdl to template set 1mdl:# found chain 1mdl in template set T0147_twice 7 :H 1mdl 140 :H Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 13 :STHAYSTLSDYIAQAKQKGIKLFA 1mdl 141 :SLDGVKLATERAVTAAELGFRAVK Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.50541 Ang O(95) at 29.055 12.411 34.257 in (null):I-9999 (12) and CZ(180) at 28.6742 13.1459 31.8923 in (null):F-9999 (23) other bump:3.28917 Ang C(96) at 29.379 11.25 34.486 in (null):I-9999 (12) and CZ(180) at 28.6742 13.1459 31.8923 in (null):F-9999 (23) other bump:2.83532 Ang N(116) at 29.281 15.338 33.585 in (null):K-9999 (16) and CZ(180) at 28.6742 13.1459 31.8923 in (null):F-9999 (23) other bump:2.80194 Ang CA(112) at 31.057 14.605 32.102 in (null):A-9999 (15) and CZ(180) at 28.6742 13.1459 31.8923 in (null):F-9999 (23) other bump:1.88492 Ang CB(113) at 30.31 13.705 31.141 in (null):A-9999 (15) and CZ(180) at 28.6742 13.1459 31.8923 in (null):F-9999 (23) other bump:3.02288 Ang C(115) at 30.135 15.694 32.607 in (null):A-9999 (15) and CZ(180) at 28.6742 13.1459 31.8923 in (null):F-9999 (23) other bump:2.8998 Ang O(95) at 29.055 12.411 34.257 in (null):I-9999 (12) and CE2(179) at 27.2971 12.9339 32.0108 in (null):F-9999 (23) other bump:2.96484 Ang CA(112) at 31.057 14.605 32.102 in (null):A-9999 (15) and CE1(178) at 29.3897 12.4576 30.9192 in (null):F-9999 (23) other bump:1.56595 Ang CB(113) at 30.31 13.705 31.141 in (null):A-9999 (15) and CE1(178) at 29.3897 12.4576 30.9192 in (null):F-9999 (23) other bump:2.87543 Ang CB(113) at 30.31 13.705 31.141 in (null):A-9999 (15) and CD1(176) at 28.7329 11.557 30.0608 in (null):F-9999 (23) other bump:2.56612 Ang CG2(151) at 27.4802 16.1297 28.3343 in (null):I-9999 (20) and O(170) at 26.268 13.996 27.584 in (null):L-9999 (22) other bump:3.06814 Ang CG2(51) at 35.1258 3.09002 32.8813 in (null):T-9999 (7) and CZ(85) at 36.3863 5.52933 31.5123 in (null):Y-9999 (11) other bump:2.48546 Ang CG2(51) at 35.1258 3.09002 32.8813 in (null):T-9999 (7) and CE2(84) at 35.17 4.93922 31.2212 in (null):Y-9999 (11) other bump:2.83877 Ang CB(17) at 32.6334 1.89689 30.399 in (null):H-9999 (3) and CD2(60) at 30.0542 3.0527 30.1338 in (null):L-9999 (8) neighbor-bump: 2.39335 Ang CB(27) at 30.4768 -2.7045 33.4999 in (null):A-9999 (4) and N(30) at 29.409 -1.044 34.853 in (null):Y-9999 (5) self-bump: 2.15824 Ang CB(27) at 30.4768 -2.7045 33.4999 in (null):A-9999 (4) and C(29) at 30.121 -0.602 33.833 in (null):A-9999 (4) self-bump: 1.24658 Ang CA(26) at 30.724 -1.634 32.911 in (null):A-9999 (4) and CB(27) at 30.4768 -2.7045 33.4999 in (null):A-9999 (4) other bump:2.77087 Ang CB(4) at 33.349 2.595 25.167 in (null):S-9999 (1) and NE2(22) at 33.9676 3.86083 27.5529 in (null):H-9999 (3) other bump:1.79263 Ang OG(5) at 34.244 2.619 26.29 in (null):S-9999 (1) and NE2(22) at 33.9676 3.86083 27.5529 in (null):H-9999 (3) other bump:1.92024 Ang OG(5) at 34.244 2.619 26.29 in (null):S-9999 (1) and CE1(21) at 35.0076 3.17296 27.9625 in (null):H-9999 (3) other bump:2.48786 Ang N(2) at 31.954 4.348 26.213 in (null):S-9999 (1) and CD2(19) at 32.9117 3.50101 28.3472 in (null):H-9999 (3) other bump:2.97018 Ang CA(3) at 31.938 3.007 25.585 in (null):S-9999 (1) and CD2(19) at 32.9117 3.50101 28.3472 in (null):H-9999 (3) other bump:3.06 Ang C(7) at 31.251 1.876 26.356 in (null):S-9999 (1) and CD2(19) at 32.9117 3.50101 28.3472 in (null):H-9999 (3) other bump:2.60478 Ang OG(5) at 34.244 2.619 26.29 in (null):S-9999 (1) and CD2(19) at 32.9117 3.50101 28.3472 in (null):H-9999 (3) T0147_twice 42 :PDMEDAPHHWHFINMRIW 1mdl 165 :TRIGYPALDQDLAVVRSI Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:3.06381 Ang CE(22) at 21.1267 1.67495 27.2873 in (null):M-9999 (3) and SD(129) at 21.954 3.29437 29.7531 in (null):M-9999 (15) other bump:2.63809 Ang CG(57) at 16.9929 -6.73761 29.6412 in (null):H-9999 (8) and CZ(106) at 15.8574 -4.45884 30.3322 in (null):F-9999 (12) other bump:2.13517 Ang ND1(59) at 16.9529 -5.58167 28.8837 in (null):H-9999 (8) and CZ(106) at 15.8574 -4.45884 30.3322 in (null):F-9999 (12) other bump:0.996226 Ang CE1(60) at 16.0646 -4.74732 29.4014 in (null):H-9999 (8) and CZ(106) at 15.8574 -4.45884 30.3322 in (null):F-9999 (12) other bump:2.13924 Ang CD2(58) at 16.0854 -6.56413 30.6357 in (null):H-9999 (8) and CZ(106) at 15.8574 -4.45884 30.3322 in (null):F-9999 (12) other bump:0.932242 Ang NE2(61) at 15.5245 -5.31954 30.4642 in (null):H-9999 (8) and CZ(106) at 15.8574 -4.45884 30.3322 in (null):F-9999 (12) other bump:2.65728 Ang ND1(59) at 16.9529 -5.58167 28.8837 in (null):H-9999 (8) and CE2(105) at 16.5017 -3.24088 30.0577 in (null):F-9999 (12) other bump:1.70033 Ang CE1(60) at 16.0646 -4.74732 29.4014 in (null):H-9999 (8) and CE2(105) at 16.5017 -3.24088 30.0577 in (null):F-9999 (12) other bump:2.3326 Ang NE2(61) at 15.5245 -5.31954 30.4642 in (null):H-9999 (8) and CE2(105) at 16.5017 -3.24088 30.0577 in (null):F-9999 (12) other bump:2.65201 Ang CG(57) at 16.9929 -6.73761 29.6412 in (null):H-9999 (8) and CE1(104) at 16.0634 -5.13579 31.5394 in (null):F-9999 (12) other bump:2.83606 Ang ND1(59) at 16.9529 -5.58167 28.8837 in (null):H-9999 (8) and CE1(104) at 16.0634 -5.13579 31.5394 in (null):F-9999 (12) other bump:2.17306 Ang CE1(60) at 16.0646 -4.74732 29.4014 in (null):H-9999 (8) and CE1(104) at 16.0634 -5.13579 31.5394 in (null):F-9999 (12) other bump:1.69035 Ang CD2(58) at 16.0854 -6.56413 30.6357 in (null):H-9999 (8) and CE1(104) at 16.0634 -5.13579 31.5394 in (null):F-9999 (12) other bump:1.2167 Ang NE2(61) at 15.5245 -5.31954 30.4642 in (null):H-9999 (8) and CE1(104) at 16.0634 -5.13579 31.5394 in (null):F-9999 (12) other bump:2.8167 Ang CD2(58) at 16.0854 -6.56413 30.6357 in (null):H-9999 (8) and CD1(102) at 16.9238 -4.60031 32.4727 in (null):F-9999 (12) other bump:2.55134 Ang NE2(61) at 15.5245 -5.31954 30.4642 in (null):H-9999 (8) and CD1(102) at 16.9238 -4.60031 32.4727 in (null):F-9999 (12) other bump:1.8082 Ang CA(26) at 24.487 -4.977 24.711 in (null):E-9999 (4) and NE2(95) at 23.5697 -4.89884 26.2673 in (null):H-9999 (11) other bump:1.60344 Ang N(25) at 24.486 -3.797 25.548 in (null):E-9999 (4) and NE2(95) at 23.5697 -4.89884 26.2673 in (null):H-9999 (11) other bump:2.19269 Ang C(33) at 25.251 -6.056 25.466 in (null):E-9999 (4) and NE2(95) at 23.5697 -4.89884 26.2673 in (null):H-9999 (11) other bump:2.02088 Ang N(34) at 25.144 -6.058 26.779 in (null):D-9999 (5) and NE2(95) at 23.5697 -4.89884 26.2673 in (null):H-9999 (11) other bump:2.9261 Ang C(24) at 25.149 -2.74 25.081 in (null):M-9999 (3) and NE2(95) at 23.5697 -4.89884 26.2673 in (null):H-9999 (11) other bump:2.09727 Ang CA(26) at 24.487 -4.977 24.711 in (null):E-9999 (4) and CE1(94) at 23.4087 -3.64058 25.915 in (null):H-9999 (11) other bump:2.99394 Ang CB(27) at 24.2226 -4.89132 23.3195 in (null):E-9999 (4) and CE1(94) at 23.4087 -3.64058 25.915 in (null):H-9999 (11) other bump:1.14885 Ang N(25) at 24.486 -3.797 25.548 in (null):E-9999 (4) and CE1(94) at 23.4087 -3.64058 25.915 in (null):H-9999 (11) other bump:3.07085 Ang C(33) at 25.251 -6.056 25.466 in (null):E-9999 (4) and CE1(94) at 23.4087 -3.64058 25.915 in (null):H-9999 (11) other bump:2.12966 Ang C(24) at 25.149 -2.74 25.081 in (null):M-9999 (3) and CE1(94) at 23.4087 -3.64058 25.915 in (null):H-9999 (11) other bump:2.7883 Ang CA(18) at 25.204 -1.508 25.974 in (null):M-9999 (3) and CE1(94) at 23.4087 -3.64058 25.915 in (null):H-9999 (11) other bump:2.46219 Ang CB(19) at 23.5551 -1.18518 25.8057 in (null):M-9999 (3) and CE1(94) at 23.4087 -3.64058 25.915 in (null):H-9999 (11) other bump:2.3683 Ang N(25) at 24.486 -3.797 25.548 in (null):E-9999 (4) and ND1(93) at 22.6619 -3.02489 26.8462 in (null):H-9999 (11) other bump:3.06313 Ang C(24) at 25.149 -2.74 25.081 in (null):M-9999 (3) and ND1(93) at 22.6619 -3.02489 26.8462 in (null):H-9999 (11) other bump:3.08608 Ang CA(18) at 25.204 -1.508 25.974 in (null):M-9999 (3) and ND1(93) at 22.6619 -3.02489 26.8462 in (null):H-9999 (11) other bump:2.29458 Ang CB(19) at 23.5551 -1.18518 25.8057 in (null):M-9999 (3) and ND1(93) at 22.6619 -3.02489 26.8462 in (null):H-9999 (11) other bump:3.17931 Ang CA(26) at 24.487 -4.977 24.711 in (null):E-9999 (4) and CD2(92) at 22.9239 -5.11315 27.4762 in (null):H-9999 (11) other bump:2.80897 Ang N(25) at 24.486 -3.797 25.548 in (null):E-9999 (4) and CD2(92) at 22.9239 -5.11315 27.4762 in (null):H-9999 (11) other bump:2.51152 Ang N(34) at 25.144 -6.058 26.779 in (null):D-9999 (5) and CD2(92) at 22.9239 -5.11315 27.4762 in (null):H-9999 (11) other bump:3.12058 Ang N(25) at 24.486 -3.797 25.548 in (null):E-9999 (4) and CG(91) at 22.3445 -3.93594 27.8136 in (null):H-9999 (11) other bump:2.76236 Ang OD2(39) at 25.6122 -4.77006 30.4076 in (null):D-9999 (5) and CB(76) at 24.5724 -6.60343 32.1931 in (null):W-9999 (10) T0147_twice 60 :PRVVDGVGILR 1mdl 184 :QAVGDDFGIMV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.30738 Ang CG2(61) at 21.719 6.997 29.654 in (null):I-9999 (9) and NH2(81) at 22.8908 5.47681 30.9346 in (null):R-9999 (11) other bump:2.13007 Ang CG2(61) at 21.719 6.997 29.654 in (null):I-9999 (9) and NH1(80) at 23.4324 6.07732 28.7846 in (null):R-9999 (11) other bump:2.24296 Ang CG2(61) at 21.719 6.997 29.654 in (null):I-9999 (9) and CZ(79) at 23.009 5.16212 29.648 in (null):R-9999 (11) neighbor-bump: 2.21866 Ang O(25) at 22.019 13.962 37.27 in (null):V-9999 (3) and CG2(31) at 21.336 15.0266 39.0928 in (null):V-9999 (4) neighbor-bump: 2.71871 Ang C(26) at 22.16 12.83 37.719 in (null):V-9999 (3) and CG2(31) at 21.336 15.0266 39.0928 in (null):V-9999 (4) neighbor-bump: 1.90325 Ang O(25) at 22.019 13.962 37.27 in (null):V-9999 (3) and CB(29) at 20.362 14.4576 38.0644 in (null):V-9999 (4) neighbor-bump: 2.44977 Ang C(26) at 22.16 12.83 37.719 in (null):V-9999 (3) and CB(29) at 20.362 14.4576 38.0644 in (null):V-9999 (4) T0147_twice 77 :K 1mdl 196 :Y Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 80 :D 1mdl 197 :N Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 106 :APHDKATNTQAM 1mdl 198 :QSLDVPAAIKRS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.38156 Ang N(7) at 24.152 -4.888 17.699 in (null):P-9999 (2) and CD(11) at 24.4635 -3.77343 18.4536 in (null):P-9999 (2) other bump:2.24206 Ang C(1) at 25.586 -2.258 17.241 in (null):G-9999 (0) and CD(11) at 24.4635 -3.77343 18.4536 in (null):P-9999 (2) neighbor-bump: 2.31758 Ang N(2) at 24.386 -2.286 16.678 in (null):A-9999 (1) and CD(11) at 24.4635 -3.77343 18.4536 in (null):P-9999 (2) T0147_twice 119 :ATIASGNVHIISHPGNPK 1mdl 210 :QALQQEGVTWIEEPTLQH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:3.14735 Ang CG2(18) at 16.6908 1.83882 27.3915 in (null):I-9999 (3) and CG1(48) at 17.586 4.642 28.508 in (null):V-9999 (8) neighbor-bump: 2.69191 Ang C(36) at 14.025 4.779 32.238 in (null):G-9999 (6) and CB(39) at 13.8599 7.45125 31.9583 in (null):N-9999 (7) neighbor-bump: 2.28253 Ang O(35) at 14.126 5.541 33.179 in (null):G-9999 (6) and CB(39) at 13.8599 7.45125 31.9583 in (null):N-9999 (7) T0147_twice 140 :DVKAVAEAAAKHQVALEINNSS 1mdl 228 :DYEGHQRIQSKLNVPVQMGENW Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.45262 Ang O(130) at 20.766 7.587 12.473 in (null):I-9999 (18) and CG(135) at 20.6434 8.3645 10.1501 in (null):N-9999 (19) neighbor-bump: 2.57611 Ang CG2(128) at 20.4193 4.12203 11.2697 in (null):I-9999 (18) and N(132) at 22.121 6.043 11.494 in (null):N-9999 (19) other bump:2.7577 Ang CG1(34) at 15.5047 1.43166 12.6734 in (null):V-9999 (5) and CD1(129) at 17.5504 3.24529 12.3119 in (null):I-9999 (18) neighbor-bump: 3.06195 Ang C(123) at 19.334 5.725 15.387 in (null):E-9999 (17) and CG1(127) at 18.7486 3.75464 13.1175 in (null):I-9999 (18) other bump:2.0432 Ang CG1(34) at 15.5047 1.43166 12.6734 in (null):V-9999 (5) and CD2(112) at 14.9478 2.10775 14.5194 in (null):L-9999 (16) other bump:2.53314 Ang O(55) at 10.207 -0.711 17.587 in (null):A-9999 (8) and ND1(81) at 10.9628 -0.209016 19.9521 in (null):H-9999 (12) other bump:2.22777 Ang CE(22) at 9.57391 -4.66863 8.30219 in (null):K-9999 (3) and OE2(49) at 8.91536 -6.26057 9.71463 in (null):E-9999 (7) other bump:2.81705 Ang CE(22) at 9.57391 -4.66863 8.30219 in (null):K-9999 (3) and CD(47) at 9.60893 -6.07091 10.7452 in (null):E-9999 (7) other bump:2.89268 Ang CE(22) at 9.57391 -4.66863 8.30219 in (null):K-9999 (3) and CG(46) at 9.78042 -4.62976 11.1872 in (null):E-9999 (7) other bump:2.57075 Ang CG(5) at 16.918 -5.57 8.903 in (null):D-9999 (1) and CB(28) at 15.2712 -5.27617 10.855 in (null):A-9999 (4) other bump:2.10761 Ang OD2(7) at 16.722 -6.37 9.787 in (null):D-9999 (1) and CB(28) at 15.2712 -5.27617 10.855 in (null):A-9999 (4) T0147_twice 172 :NCREVAAAVRDAGGWVALGSDSHTAFTMGEFEECLKILDAVDFPP 1mdl 250 :LGPEEMFKALSIGACRLAMPDAMKIGGVTGWIRASALAQQFGIPM Fragment has 119 clashes (null) has 119 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.41956 Ang O(321) at 15.676 15.509 11.416 in (null):F-9999 (43) and CD(334) at 17.674 16.6087 12.2241 in (null):P-9999 (45) neighbor-bump: 2.10584 Ang C(329) at 17.345 15.136 13.693 in (null):P-9999 (44) and CD(334) at 17.674 16.6087 12.2241 in (null):P-9999 (45) other bump:2.69554 Ang CD1(280) at 19.4897 14.7982 8.91099 in (null):L-9999 (38) and CG(333) at 18.2344 15.8651 11.0446 in (null):P-9999 (45) other bump:2.65848 Ang CD1(280) at 19.4897 14.7982 8.91099 in (null):L-9999 (38) and CB(332) at 19.6776 15.7014 11.4043 in (null):P-9999 (45) other bump:3.03021 Ang CG1(300) at 12.2095 11.6722 7.14631 in (null):V-9999 (41) and CZ(320) at 10.993 10.2594 9.53507 in (null):F-9999 (43) other bump:2.60936 Ang O(302) at 10.284 13.381 8.658 in (null):V-9999 (41) and CE2(319) at 11.6367 11.1497 8.67006 in (null):F-9999 (43) other bump:3.06555 Ang CB(299) at 12.3937 12.8949 6.26614 in (null):V-9999 (41) and CE2(319) at 11.6367 11.1497 8.67006 in (null):F-9999 (43) other bump:1.70967 Ang CG1(300) at 12.2095 11.6722 7.14631 in (null):V-9999 (41) and CE2(319) at 11.6367 11.1497 8.67006 in (null):F-9999 (43) other bump:3.03678 Ang CB(299) at 12.3937 12.8949 6.26614 in (null):V-9999 (41) and CD2(317) at 12.6738 11.9622 9.14256 in (null):F-9999 (43) other bump:2.06993 Ang CG1(300) at 12.2095 11.6722 7.14631 in (null):V-9999 (41) and CD2(317) at 12.6738 11.9622 9.14256 in (null):F-9999 (43) other bump:2.64156 Ang CD1(127) at 16.4919 11.6437 10.4739 in (null):L-9999 (18) and CB(314) at 14.1741 12.8008 10.9905 in (null):F-9999 (43) other bump:2.95723 Ang CG(126) at 17.6675 10.6525 10.1864 in (null):L-9999 (18) and CD2(281) at 17.5902 13.1981 8.68344 in (null):L-9999 (38) other bump:2.61307 Ang CD1(127) at 16.4919 11.6437 10.4739 in (null):L-9999 (18) and CD2(281) at 17.5902 13.1981 8.68344 in (null):L-9999 (38) other bump:2.96891 Ang NH2(73) at 18.5404 11.5194 3.93467 in (null):R-9999 (10) and CG2(272) at 15.9675 12.8618 3.30819 in (null):I-9999 (37) other bump:2.61654 Ang NE(70) at 16.6329 11.1272 5.15067 in (null):R-9999 (10) and CG2(272) at 15.9675 12.8618 3.30819 in (null):I-9999 (37) other bump:3.11568 Ang CZ(71) at 17.9548 11.2684 5.10234 in (null):R-9999 (10) and CG2(272) at 15.9675 12.8618 3.30819 in (null):I-9999 (37) other bump:2.85896 Ang CD1(220) at 25.6081 18.9184 7.02342 in (null):F-9999 (31) and CD1(255) at 23.0823 20.2577 7.03247 in (null):L-9999 (35) other bump:2.44546 Ang CE1(222) at 24.9653 19.2423 8.21721 in (null):F-9999 (31) and CD1(255) at 23.0823 20.2577 7.03247 in (null):L-9999 (35) other bump:3.26067 Ang CD(20) at 23.1537 14.31 0.870341 in (null):R-9999 (3) and SG(248) at 22.9594 12.787 3.74687 in (null):C-9999 (34) other bump:2.23726 Ang CG(19) at 23.1572 12.9248 1.52263 in (null):R-9999 (3) and SG(248) at 22.9594 12.787 3.74687 in (null):C-9999 (34) other bump:3.38254 Ang CD(211) at 26.2419 12.3045 3.0882 in (null):E-9999 (30) and SG(248) at 22.9594 12.787 3.74687 in (null):C-9999 (34) other bump:2.86385 Ang OE2(213) at 25.3981 11.3906 3.19512 in (null):E-9999 (30) and SG(248) at 22.9594 12.787 3.74687 in (null):C-9999 (34) other bump:3.03028 Ang NE(21) at 21.8247 14.8913 0.876522 in (null):R-9999 (3) and CA(246) at 21.311 14.966 3.862 in (null):C-9999 (34) other bump:2.66948 Ang CD(20) at 23.1537 14.31 0.870341 in (null):R-9999 (3) and N(245) at 22.001 15.702 2.835 in (null):C-9999 (34) other bump:2.12697 Ang NE(21) at 21.8247 14.8913 0.876522 in (null):R-9999 (3) and N(245) at 22.001 15.702 2.835 in (null):C-9999 (34) other bump:2.94242 Ang CZ(22) at 21.3075 15.7066 -0.0245174 in (null):R-9999 (3) and N(245) at 22.001 15.702 2.835 in (null):C-9999 (34) other bump:2.89426 Ang CD(20) at 23.1537 14.31 0.870341 in (null):R-9999 (3) and C(244) at 21.339 16.321 1.89 in (null):E-9999 (33) other bump:1.81859 Ang NE(21) at 21.8247 14.8913 0.876522 in (null):R-9999 (3) and C(244) at 21.339 16.321 1.89 in (null):E-9999 (33) other bump:2.01095 Ang CZ(22) at 21.3075 15.7066 -0.0245174 in (null):R-9999 (3) and C(244) at 21.339 16.321 1.89 in (null):E-9999 (33) other bump:2.14837 Ang NH2(24) at 20.073 16.1416 0.163574 in (null):R-9999 (3) and C(244) at 21.339 16.321 1.89 in (null):E-9999 (33) other bump:2.36503 Ang CZ(22) at 21.3075 15.7066 -0.0245174 in (null):R-9999 (3) and O(243) at 20.096 16.385 1.89 in (null):E-9999 (33) other bump:1.74365 Ang NH2(24) at 20.073 16.1416 0.163574 in (null):R-9999 (3) and O(243) at 20.096 16.385 1.89 in (null):E-9999 (33) other bump:2.46785 Ang NH1(23) at 21.9773 16.1104 -1.10345 in (null):R-9999 (3) and CD(240) at 24.1565 15.7857 -2.21518 in (null):E-9999 (33) other bump:2.03585 Ang CD(20) at 23.1537 14.31 0.870341 in (null):R-9999 (3) and CB(238) at 22.8043 16.0832 -0.0669337 in (null):E-9999 (33) other bump:1.80845 Ang NE(21) at 21.8247 14.8913 0.876522 in (null):R-9999 (3) and CB(238) at 22.8043 16.0832 -0.0669337 in (null):E-9999 (33) other bump:1.5441 Ang CZ(22) at 21.3075 15.7066 -0.0245174 in (null):R-9999 (3) and CB(238) at 22.8043 16.0832 -0.0669337 in (null):E-9999 (33) other bump:1.3263 Ang NH1(23) at 21.9773 16.1104 -1.10345 in (null):R-9999 (3) and CB(238) at 22.8043 16.0832 -0.0669337 in (null):E-9999 (33) other bump:2.74166 Ang NH2(24) at 20.073 16.1416 0.163574 in (null):R-9999 (3) and CB(238) at 22.8043 16.0832 -0.0669337 in (null):E-9999 (33) other bump:2.9474 Ang CD(20) at 23.1537 14.31 0.870341 in (null):R-9999 (3) and CA(237) at 22.152 17.082 0.865 in (null):E-9999 (33) other bump:2.21509 Ang NE(21) at 21.8247 14.8913 0.876522 in (null):R-9999 (3) and CA(237) at 22.152 17.082 0.865 in (null):E-9999 (33) other bump:1.84291 Ang CZ(22) at 21.3075 15.7066 -0.0245174 in (null):R-9999 (3) and CA(237) at 22.152 17.082 0.865 in (null):E-9999 (33) other bump:2.20213 Ang NH1(23) at 21.9773 16.1104 -1.10345 in (null):R-9999 (3) and CA(237) at 22.152 17.082 0.865 in (null):E-9999 (33) other bump:2.38717 Ang NH2(24) at 20.073 16.1416 0.163574 in (null):R-9999 (3) and CA(237) at 22.152 17.082 0.865 in (null):E-9999 (33) other bump:2.49603 Ang CD(20) at 23.1537 14.31 0.870341 in (null):R-9999 (3) and O(214) at 24.76 15.312 2.497 in (null):E-9999 (30) other bump:2.60914 Ang CA(173) at 27.702 10.784 4.259 in (null):A-9999 (25) and OE2(213) at 25.3981 11.3906 3.19512 in (null):E-9999 (30) other bump:2.27064 Ang O(175) at 27.352 11.911 2.162 in (null):A-9999 (25) and OE2(213) at 25.3981 11.3906 3.19512 in (null):E-9999 (30) other bump:2.49017 Ang CB(174) at 26.848 11.642 5.204 in (null):A-9999 (25) and OE2(213) at 25.3981 11.3906 3.19512 in (null):E-9999 (30) other bump:2.75661 Ang C(176) at 28.147 11.517 3.032 in (null):A-9999 (25) and OE2(213) at 25.3981 11.3906 3.19512 in (null):E-9999 (30) other bump:2.36944 Ang CA(173) at 27.702 10.784 4.259 in (null):A-9999 (25) and OE1(212) at 26.7345 12.9373 4.05488 in (null):E-9999 (30) other bump:2.23998 Ang O(175) at 27.352 11.911 2.162 in (null):A-9999 (25) and OE1(212) at 26.7345 12.9373 4.05488 in (null):E-9999 (30) other bump:1.73525 Ang CB(174) at 26.848 11.642 5.204 in (null):A-9999 (25) and OE1(212) at 26.7345 12.9373 4.05488 in (null):E-9999 (30) other bump:2.24912 Ang C(176) at 28.147 11.517 3.032 in (null):A-9999 (25) and OE1(212) at 26.7345 12.9373 4.05488 in (null):E-9999 (30) other bump:2.85097 Ang CD2(182) at 26.816 10.8629 0.696496 in (null):F-9999 (26) and CD(211) at 26.2419 12.3045 3.0882 in (null):E-9999 (30) other bump:2.41133 Ang CA(173) at 27.702 10.784 4.259 in (null):A-9999 (25) and CD(211) at 26.2419 12.3045 3.0882 in (null):E-9999 (30) other bump:1.49831 Ang O(175) at 27.352 11.911 2.162 in (null):A-9999 (25) and CD(211) at 26.2419 12.3045 3.0882 in (null):E-9999 (30) other bump:2.29845 Ang CB(174) at 26.848 11.642 5.204 in (null):A-9999 (25) and CD(211) at 26.2419 12.3045 3.0882 in (null):E-9999 (30) other bump:2.06219 Ang C(176) at 28.147 11.517 3.032 in (null):A-9999 (25) and CD(211) at 26.2419 12.3045 3.0882 in (null):E-9999 (30) other bump:1.99804 Ang CD2(182) at 26.816 10.8629 0.696496 in (null):F-9999 (26) and CG(210) at 26.7003 12.5946 1.6864 in (null):E-9999 (30) other bump:1.05748 Ang O(175) at 27.352 11.911 2.162 in (null):A-9999 (25) and CG(210) at 26.7003 12.5946 1.6864 in (null):E-9999 (30) other bump:2.40146 Ang CB(179) at 28.8004 12.4454 0.531396 in (null):F-9999 (26) and CG(210) at 26.7003 12.5946 1.6864 in (null):E-9999 (30) other bump:2.49008 Ang CG(180) at 28.1002 11.1392 0.229513 in (null):F-9999 (26) and CG(210) at 26.7003 12.5946 1.6864 in (null):E-9999 (30) other bump:2.25053 Ang C(176) at 28.147 11.517 3.032 in (null):A-9999 (25) and CG(210) at 26.7003 12.5946 1.6864 in (null):E-9999 (30) other bump:3.13946 Ang N(177) at 29.464 11.643 2.832 in (null):F-9999 (26) and CG(210) at 26.7003 12.5946 1.6864 in (null):E-9999 (30) other bump:3.12772 Ang CD2(182) at 26.816 10.8629 0.696496 in (null):F-9999 (26) and CB(209) at 27.6075 13.7812 1.49605 in (null):E-9999 (30) other bump:2.00163 Ang O(175) at 27.352 11.911 2.162 in (null):A-9999 (25) and CB(209) at 27.6075 13.7812 1.49605 in (null):E-9999 (30) other bump:2.0342 Ang CB(179) at 28.8004 12.4454 0.531396 in (null):F-9999 (26) and CB(209) at 27.6075 13.7812 1.49605 in (null):E-9999 (30) other bump:2.97108 Ang CG(180) at 28.1002 11.1392 0.229513 in (null):F-9999 (26) and CB(209) at 27.6075 13.7812 1.49605 in (null):E-9999 (30) other bump:2.78871 Ang C(176) at 28.147 11.517 3.032 in (null):A-9999 (25) and CB(209) at 27.6075 13.7812 1.49605 in (null):E-9999 (30) other bump:3.13102 Ang N(177) at 29.464 11.643 2.832 in (null):F-9999 (26) and CB(209) at 27.6075 13.7812 1.49605 in (null):E-9999 (30) other bump:2.75955 Ang CA(178) at 29.951 12.327 1.588 in (null):F-9999 (26) and CB(209) at 27.6075 13.7812 1.49605 in (null):E-9999 (30) other bump:2.99549 Ang C(187) at 30.589 13.708 1.776 in (null):F-9999 (26) and CB(209) at 27.6075 13.7812 1.49605 in (null):E-9999 (30) neighbor-bump: 2.20685 Ang CG2(191) at 32.8405 17.0541 4.42065 in (null):T-9999 (27) and N(195) at 31.065 17.665 3.261 in (null):M-9999 (28) self-bump: 1.2838 Ang CA(189) at 31.612 15.3 3.343 in (null):T-9999 (27) and CB(190) at 32.769 15.8185 3.54472 in (null):T-9999 (27) other bump:0.678557 Ang CB(12) at 26.326 8.32508 -0.494995 in (null):C-9999 (2) and CZ(185) at 26.8775 8.67442 -0.309811 in (null):F-9999 (26) other bump:2.4948 Ang SG(13) at 25.2844 6.85525 -0.923599 in (null):C-9999 (2) and CZ(185) at 26.8775 8.67442 -0.309811 in (null):F-9999 (26) other bump:3.05776 Ang C(9) at 26.603 6.447 1.767 in (null):N-9999 (1) and CZ(185) at 26.8775 8.67442 -0.309811 in (null):F-9999 (26) other bump:2.45934 Ang N(10) at 26.573 7.778 1.96 in (null):C-9999 (2) and CZ(185) at 26.8775 8.67442 -0.309811 in (null):F-9999 (26) other bump:1.52308 Ang CA(11) at 25.978 8.648 0.919 in (null):C-9999 (2) and CZ(185) at 26.8775 8.67442 -0.309811 in (null):F-9999 (26) other bump:2.88151 Ang C(15) at 24.484 8.971 1.267 in (null):C-9999 (2) and CZ(185) at 26.8775 8.67442 -0.309811 in (null):F-9999 (26) other bump:2.34681 Ang N(16) at 23.917 10.1 0.779 in (null):R-9999 (3) and CE2(184) at 26.1957 9.66213 0.427999 in (null):F-9999 (26) other bump:1.62991 Ang CB(12) at 26.326 8.32508 -0.494995 in (null):C-9999 (2) and CE2(184) at 26.1957 9.66213 0.427999 in (null):F-9999 (26) other bump:3.2459 Ang SG(13) at 25.2844 6.85525 -0.923599 in (null):C-9999 (2) and CE2(184) at 26.1957 9.66213 0.427999 in (null):F-9999 (26) other bump:2.4575 Ang N(10) at 26.573 7.778 1.96 in (null):C-9999 (2) and CE2(184) at 26.1957 9.66213 0.427999 in (null):F-9999 (26) other bump:1.14758 Ang CA(11) at 25.978 8.648 0.919 in (null):C-9999 (2) and CE2(184) at 26.1957 9.66213 0.427999 in (null):F-9999 (26) other bump:2.0277 Ang C(15) at 24.484 8.971 1.267 in (null):C-9999 (2) and CE2(184) at 26.1957 9.66213 0.427999 in (null):F-9999 (26) other bump:1.9514 Ang CB(12) at 26.326 8.32508 -0.494995 in (null):C-9999 (2) and CE1(183) at 28.1514 8.92594 -0.834223 in (null):F-9999 (26) other bump:2.80617 Ang CA(11) at 25.978 8.648 0.919 in (null):C-9999 (2) and CE1(183) at 28.1514 8.92594 -0.834223 in (null):F-9999 (26) other bump:2.84606 Ang CB(12) at 26.326 8.32508 -0.494995 in (null):C-9999 (2) and CD2(182) at 26.816 10.8629 0.696496 in (null):F-9999 (26) other bump:2.37852 Ang CA(11) at 25.978 8.648 0.919 in (null):C-9999 (2) and CD2(182) at 26.816 10.8629 0.696496 in (null):F-9999 (26) other bump:3.05658 Ang C(15) at 24.484 8.971 1.267 in (null):C-9999 (2) and CD2(182) at 26.816 10.8629 0.696496 in (null):F-9999 (26) neighbor-bump: 1.87979 Ang O(175) at 27.352 11.911 2.162 in (null):A-9999 (25) and CD2(182) at 26.816 10.8629 0.696496 in (null):F-9999 (26) neighbor-bump: 2.76661 Ang C(176) at 28.147 11.517 3.032 in (null):A-9999 (25) and CD2(182) at 26.816 10.8629 0.696496 in (null):F-9999 (26) other bump:3.05986 Ang CB(12) at 26.326 8.32508 -0.494995 in (null):C-9999 (2) and CD1(181) at 28.7702 10.1653 -0.545564 in (null):F-9999 (26) neighbor-bump: 2.21133 Ang O(175) at 27.352 11.911 2.162 in (null):A-9999 (25) and CG(180) at 28.1002 11.1392 0.229513 in (null):F-9999 (26) neighbor-bump: 2.82823 Ang C(176) at 28.147 11.517 3.032 in (null):A-9999 (25) and CG(180) at 28.1002 11.1392 0.229513 in (null):F-9999 (26) neighbor-bump: 2.24553 Ang O(175) at 27.352 11.911 2.162 in (null):A-9999 (25) and CB(179) at 28.8004 12.4454 0.531396 in (null):F-9999 (26) other bump:3.15665 Ang C(1) at 26.026 5.896 4.935 in (null):G-9999 (0) and CG2(168) at 29.0942 6.26564 5.57826 in (null):T-9999 (24) other bump:2.53475 Ang O(0) at 26.661 6.901 5.261 in (null):G-9999 (0) and CG2(168) at 29.0942 6.26564 5.57826 in (null):T-9999 (24) other bump:2.41583 Ang CG(5) at 29.1549 4.51985 3.9095 in (null):N-9999 (1) and CG2(168) at 29.0942 6.26564 5.57826 in (null):T-9999 (24) other bump:1.29978 Ang OD1(7) at 28.9425 5.13853 4.94896 in (null):N-9999 (1) and CG2(168) at 29.0942 6.26564 5.57826 in (null):T-9999 (24) other bump:2.75237 Ang OD1(7) at 28.9425 5.13853 4.94896 in (null):N-9999 (1) and CB(167) at 29.8743 7.35903 6.28189 in (null):T-9999 (24) other bump:3.16486 Ang CD(69) at 15.8613 10.845 6.35106 in (null):R-9999 (10) and CD2(128) at 17.9814 10.5399 8.68093 in (null):L-9999 (18) other bump:2.6556 Ang NH1(72) at 18.6964 11.1815 6.2052 in (null):R-9999 (10) and CD2(128) at 17.9814 10.5399 8.68093 in (null):L-9999 (18) other bump:2.57777 Ang NE1(105) at 17.241 8.21559 10.9107 in (null):W-9999 (15) and CG(126) at 17.6675 10.6525 10.1864 in (null):L-9999 (18) other bump:2.9222 Ang CD1(101) at 16.4998 7.81808 11.9895 in (null):W-9999 (15) and C(122) at 17.336 10.057 13.671 in (null):A-9999 (17) other bump:1.80895 Ang CD1(101) at 16.4998 7.81808 11.9895 in (null):W-9999 (15) and O(121) at 17.279 8.891 13.22 in (null):A-9999 (17) other bump:2.40639 Ang NE1(105) at 17.241 8.21559 10.9107 in (null):W-9999 (15) and O(121) at 17.279 8.891 13.22 in (null):A-9999 (17) other bump:2.47421 Ang CB(60) at 17.2919 4.42467 6.18249 in (null):V-9999 (9) and CH2(108) at 17.8681 5.94244 8.04959 in (null):W-9999 (15) other bump:1.99266 Ang CG1(61) at 16.821 4.30242 7.6201 in (null):V-9999 (9) and CH2(108) at 17.8681 5.94244 8.04959 in (null):W-9999 (15) other bump:2.49097 Ang CB(60) at 17.2919 4.42467 6.18249 in (null):V-9999 (9) and CZ3(107) at 17.243 4.84788 8.63676 in (null):W-9999 (15) other bump:1.22852 Ang CG1(61) at 16.821 4.30242 7.6201 in (null):V-9999 (9) and CZ3(107) at 17.243 4.84788 8.63676 in (null):W-9999 (15) other bump:2.36076 Ang CG1(61) at 16.821 4.30242 7.6201 in (null):V-9999 (9) and CE3(104) at 16.6498 4.85828 9.90809 in (null):W-9999 (15) other bump:2.1294 Ang SG(13) at 25.2844 6.85525 -0.923599 in (null):C-9999 (2) and OE2(33) at 25.276 6.92 -3.052 in (null):E-9999 (4) other bump:2.67865 Ang CB(12) at 26.326 8.32508 -0.494995 in (null):C-9999 (2) and OE1(32) at 24.306 8.766 -2.198 in (null):E-9999 (4) other bump:2.49647 Ang SG(13) at 25.2844 6.85525 -0.923599 in (null):C-9999 (2) and OE1(32) at 24.306 8.766 -2.198 in (null):E-9999 (4) other bump:3.04935 Ang CB(12) at 26.326 8.32508 -0.494995 in (null):C-9999 (2) and CD(31) at 24.287 7.508 -2.61 in (null):E-9999 (4) other bump:2.06516 Ang SG(13) at 25.2844 6.85525 -0.923599 in (null):C-9999 (2) and CD(31) at 24.287 7.508 -2.61 in (null):E-9999 (4) other bump:2.67337 Ang SG(13) at 25.2844 6.85525 -0.923599 in (null):C-9999 (2) and CG(30) at 22.996 6.77 -2.303 in (null):E-9999 (4) neighbor-bump: 2.09636 Ang O(8) at 26.166 5.905 0.724 in (null):N-9999 (1) and SG(13) at 25.2844 6.85525 -0.923599 in (null):C-9999 (2) Number of specific fragments= 10 total=391 Number of alignments=31 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1mdl/T0147_twice-1mdl-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1mdl read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1mdl/T0147_twice-1mdl-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1mdl in template set T0147_twice 13 :STHAYSTLSDYIAQAKQKGIKLF 1mdl 141 :SLDGVKLATERAVTAAELGFRAV Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.5054 Ang O(95) at 29.055 12.411 34.257 in (null):I-9999 (12) and CZ(180) at 28.6742 13.1459 31.8923 in (null):F-9999 (23) other bump:3.28916 Ang C(96) at 29.379 11.25 34.486 in (null):I-9999 (12) and CZ(180) at 28.6742 13.1459 31.8923 in (null):F-9999 (23) other bump:2.83532 Ang N(116) at 29.281 15.338 33.585 in (null):K-9999 (16) and CZ(180) at 28.6742 13.1459 31.8923 in (null):F-9999 (23) other bump:2.80194 Ang CA(112) at 31.057 14.605 32.102 in (null):A-9999 (15) and CZ(180) at 28.6742 13.1459 31.8923 in (null):F-9999 (23) other bump:1.88492 Ang CB(113) at 30.31 13.705 31.141 in (null):A-9999 (15) and CZ(180) at 28.6742 13.1459 31.8923 in (null):F-9999 (23) other bump:3.02288 Ang C(115) at 30.135 15.694 32.607 in (null):A-9999 (15) and CZ(180) at 28.6742 13.1459 31.8923 in (null):F-9999 (23) other bump:2.8998 Ang O(95) at 29.055 12.411 34.257 in (null):I-9999 (12) and CE2(179) at 27.2971 12.9339 32.0108 in (null):F-9999 (23) other bump:2.96485 Ang CA(112) at 31.057 14.605 32.102 in (null):A-9999 (15) and CE1(178) at 29.3897 12.4576 30.9192 in (null):F-9999 (23) other bump:1.56595 Ang CB(113) at 30.31 13.705 31.141 in (null):A-9999 (15) and CE1(178) at 29.3897 12.4576 30.9192 in (null):F-9999 (23) other bump:2.87543 Ang CB(113) at 30.31 13.705 31.141 in (null):A-9999 (15) and CD1(176) at 28.7329 11.5569 30.0609 in (null):F-9999 (23) other bump:2.56612 Ang CG2(151) at 27.4802 16.1297 28.3343 in (null):I-9999 (20) and O(170) at 26.268 13.996 27.584 in (null):L-9999 (22) other bump:3.06814 Ang CG2(51) at 35.1258 3.09002 32.8813 in (null):T-9999 (7) and CZ(85) at 36.3863 5.52933 31.5123 in (null):Y-9999 (11) other bump:2.48546 Ang CG2(51) at 35.1258 3.09002 32.8813 in (null):T-9999 (7) and CE2(84) at 35.17 4.93922 31.2212 in (null):Y-9999 (11) other bump:2.83877 Ang CB(17) at 32.6334 1.89689 30.399 in (null):H-9999 (3) and CD2(60) at 30.0542 3.0527 30.1338 in (null):L-9999 (8) neighbor-bump: 2.39335 Ang CB(27) at 30.4768 -2.7045 33.4999 in (null):A-9999 (4) and N(30) at 29.409 -1.044 34.853 in (null):Y-9999 (5) self-bump: 2.15824 Ang CB(27) at 30.4768 -2.7045 33.4999 in (null):A-9999 (4) and C(29) at 30.121 -0.602 33.833 in (null):A-9999 (4) self-bump: 1.24658 Ang CA(26) at 30.724 -1.634 32.911 in (null):A-9999 (4) and CB(27) at 30.4768 -2.7045 33.4999 in (null):A-9999 (4) other bump:2.77087 Ang CB(4) at 33.349 2.595 25.167 in (null):S-9999 (1) and NE2(22) at 33.9676 3.86083 27.5529 in (null):H-9999 (3) other bump:1.79263 Ang OG(5) at 34.244 2.619 26.29 in (null):S-9999 (1) and NE2(22) at 33.9676 3.86083 27.5529 in (null):H-9999 (3) other bump:1.92024 Ang OG(5) at 34.244 2.619 26.29 in (null):S-9999 (1) and CE1(21) at 35.0076 3.17296 27.9625 in (null):H-9999 (3) other bump:2.48786 Ang N(2) at 31.954 4.348 26.213 in (null):S-9999 (1) and CD2(19) at 32.9117 3.50101 28.3472 in (null):H-9999 (3) other bump:2.97018 Ang CA(3) at 31.938 3.007 25.585 in (null):S-9999 (1) and CD2(19) at 32.9117 3.50101 28.3472 in (null):H-9999 (3) other bump:3.06 Ang C(7) at 31.251 1.876 26.356 in (null):S-9999 (1) and CD2(19) at 32.9117 3.50101 28.3472 in (null):H-9999 (3) other bump:2.60478 Ang OG(5) at 34.244 2.619 26.29 in (null):S-9999 (1) and CD2(19) at 32.9117 3.50101 28.3472 in (null):H-9999 (3) T0147_twice 41 :GPDMEDAPHHWHFINMRIW 1mdl 164 :KTRIGYPALDQDLAVVRSI Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:3.0638 Ang CE(26) at 21.1267 1.67496 27.2873 in (null):M-9999 (4) and SD(133) at 21.954 3.29437 29.7531 in (null):M-9999 (16) other bump:2.63809 Ang CG(61) at 16.9929 -6.73761 29.6412 in (null):H-9999 (9) and CZ(110) at 15.8574 -4.45884 30.3322 in (null):F-9999 (13) other bump:2.13517 Ang ND1(63) at 16.9529 -5.58167 28.8837 in (null):H-9999 (9) and CZ(110) at 15.8574 -4.45884 30.3322 in (null):F-9999 (13) other bump:0.996226 Ang CE1(64) at 16.0646 -4.74732 29.4014 in (null):H-9999 (9) and CZ(110) at 15.8574 -4.45884 30.3322 in (null):F-9999 (13) other bump:2.13924 Ang CD2(62) at 16.0854 -6.56413 30.6357 in (null):H-9999 (9) and CZ(110) at 15.8574 -4.45884 30.3322 in (null):F-9999 (13) other bump:0.932242 Ang NE2(65) at 15.5245 -5.31954 30.4642 in (null):H-9999 (9) and CZ(110) at 15.8574 -4.45884 30.3322 in (null):F-9999 (13) other bump:2.65728 Ang ND1(63) at 16.9529 -5.58167 28.8837 in (null):H-9999 (9) and CE2(109) at 16.5017 -3.24088 30.0577 in (null):F-9999 (13) other bump:1.70033 Ang CE1(64) at 16.0646 -4.74732 29.4014 in (null):H-9999 (9) and CE2(109) at 16.5017 -3.24088 30.0577 in (null):F-9999 (13) other bump:2.3326 Ang NE2(65) at 15.5245 -5.31954 30.4642 in (null):H-9999 (9) and CE2(109) at 16.5017 -3.24088 30.0577 in (null):F-9999 (13) other bump:2.65201 Ang CG(61) at 16.9929 -6.73761 29.6412 in (null):H-9999 (9) and CE1(108) at 16.0634 -5.13579 31.5394 in (null):F-9999 (13) other bump:2.83606 Ang ND1(63) at 16.9529 -5.58167 28.8837 in (null):H-9999 (9) and CE1(108) at 16.0634 -5.13579 31.5394 in (null):F-9999 (13) other bump:2.17306 Ang CE1(64) at 16.0646 -4.74732 29.4014 in (null):H-9999 (9) and CE1(108) at 16.0634 -5.13579 31.5394 in (null):F-9999 (13) other bump:1.69035 Ang CD2(62) at 16.0854 -6.56413 30.6357 in (null):H-9999 (9) and CE1(108) at 16.0634 -5.13579 31.5394 in (null):F-9999 (13) other bump:1.2167 Ang NE2(65) at 15.5245 -5.31954 30.4642 in (null):H-9999 (9) and CE1(108) at 16.0634 -5.13579 31.5394 in (null):F-9999 (13) other bump:2.8167 Ang CD2(62) at 16.0854 -6.56413 30.6357 in (null):H-9999 (9) and CD1(106) at 16.9238 -4.60031 32.4727 in (null):F-9999 (13) other bump:2.55134 Ang NE2(65) at 15.5245 -5.31954 30.4642 in (null):H-9999 (9) and CD1(106) at 16.9238 -4.60031 32.4727 in (null):F-9999 (13) other bump:1.8082 Ang CA(30) at 24.487 -4.977 24.711 in (null):E-9999 (5) and NE2(99) at 23.5697 -4.89884 26.2673 in (null):H-9999 (12) other bump:1.60344 Ang N(29) at 24.486 -3.797 25.548 in (null):E-9999 (5) and NE2(99) at 23.5697 -4.89884 26.2673 in (null):H-9999 (12) other bump:2.19269 Ang C(37) at 25.251 -6.056 25.466 in (null):E-9999 (5) and NE2(99) at 23.5697 -4.89884 26.2673 in (null):H-9999 (12) other bump:2.02088 Ang N(38) at 25.144 -6.058 26.779 in (null):D-9999 (6) and NE2(99) at 23.5697 -4.89884 26.2673 in (null):H-9999 (12) other bump:2.9261 Ang C(28) at 25.149 -2.74 25.081 in (null):M-9999 (4) and NE2(99) at 23.5697 -4.89884 26.2673 in (null):H-9999 (12) other bump:2.09727 Ang CA(30) at 24.487 -4.977 24.711 in (null):E-9999 (5) and CE1(98) at 23.4087 -3.64058 25.915 in (null):H-9999 (12) other bump:2.99394 Ang CB(31) at 24.2226 -4.89133 23.3195 in (null):E-9999 (5) and CE1(98) at 23.4087 -3.64058 25.915 in (null):H-9999 (12) other bump:1.14885 Ang N(29) at 24.486 -3.797 25.548 in (null):E-9999 (5) and CE1(98) at 23.4087 -3.64058 25.915 in (null):H-9999 (12) other bump:3.07085 Ang C(37) at 25.251 -6.056 25.466 in (null):E-9999 (5) and CE1(98) at 23.4087 -3.64058 25.915 in (null):H-9999 (12) other bump:2.12966 Ang C(28) at 25.149 -2.74 25.081 in (null):M-9999 (4) and CE1(98) at 23.4087 -3.64058 25.915 in (null):H-9999 (12) other bump:2.7883 Ang CA(22) at 25.204 -1.508 25.974 in (null):M-9999 (4) and CE1(98) at 23.4087 -3.64058 25.915 in (null):H-9999 (12) other bump:2.46219 Ang CB(23) at 23.5551 -1.18518 25.8057 in (null):M-9999 (4) and CE1(98) at 23.4087 -3.64058 25.915 in (null):H-9999 (12) other bump:2.3683 Ang N(29) at 24.486 -3.797 25.548 in (null):E-9999 (5) and ND1(97) at 22.6619 -3.02489 26.8462 in (null):H-9999 (12) other bump:3.06313 Ang C(28) at 25.149 -2.74 25.081 in (null):M-9999 (4) and ND1(97) at 22.6619 -3.02489 26.8462 in (null):H-9999 (12) other bump:3.08608 Ang CA(22) at 25.204 -1.508 25.974 in (null):M-9999 (4) and ND1(97) at 22.6619 -3.02489 26.8462 in (null):H-9999 (12) other bump:2.29458 Ang CB(23) at 23.5551 -1.18518 25.8057 in (null):M-9999 (4) and ND1(97) at 22.6619 -3.02489 26.8462 in (null):H-9999 (12) other bump:3.17931 Ang CA(30) at 24.487 -4.977 24.711 in (null):E-9999 (5) and CD2(96) at 22.9239 -5.11315 27.4762 in (null):H-9999 (12) other bump:2.80897 Ang N(29) at 24.486 -3.797 25.548 in (null):E-9999 (5) and CD2(96) at 22.9239 -5.11315 27.4762 in (null):H-9999 (12) other bump:2.51152 Ang N(38) at 25.144 -6.058 26.779 in (null):D-9999 (6) and CD2(96) at 22.9239 -5.11315 27.4762 in (null):H-9999 (12) other bump:3.12058 Ang N(29) at 24.486 -3.797 25.548 in (null):E-9999 (5) and CG(95) at 22.3445 -3.93594 27.8136 in (null):H-9999 (12) other bump:2.76236 Ang OD2(43) at 25.6122 -4.77006 30.4076 in (null):D-9999 (6) and CB(80) at 24.5724 -6.60343 32.1931 in (null):W-9999 (11) T0147_twice 60 :PRVVDGVGIL 1mdl 184 :QAVGDDFGIM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.21866 Ang O(25) at 22.019 13.962 37.27 in (null):V-9999 (3) and CG2(31) at 21.336 15.0266 39.0928 in (null):V-9999 (4) neighbor-bump: 2.71871 Ang C(26) at 22.16 12.83 37.719 in (null):V-9999 (3) and CG2(31) at 21.336 15.0266 39.0928 in (null):V-9999 (4) neighbor-bump: 1.90325 Ang O(25) at 22.019 13.962 37.27 in (null):V-9999 (3) and CB(29) at 20.362 14.4576 38.0644 in (null):V-9999 (4) neighbor-bump: 2.44977 Ang C(26) at 22.16 12.83 37.719 in (null):V-9999 (3) and CB(29) at 20.362 14.4576 38.0644 in (null):V-9999 (4) T0147_twice 74 :ANIKN 1mdl 194 :VDYNQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.5436 Ang CG(10) at 26.088 2.67326 20.1137 in (null):N-9999 (2) and CE(28) at 28.553 2.514 19.5066 in (null):K-9999 (4) other bump:1.88403 Ang ND2(11) at 26.9429 3.49224 19.5229 in (null):N-9999 (2) and CE(28) at 28.553 2.514 19.5066 in (null):K-9999 (4) other bump:2.80412 Ang ND2(11) at 26.9429 3.49224 19.5229 in (null):N-9999 (2) and CD(27) at 28.3885 1.25473 18.6471 in (null):K-9999 (4) other bump:2.51465 Ang OD1(12) at 25.8362 1.55553 19.6642 in (null):N-9999 (2) and CG(26) at 27.863 0.0818105 19.455 in (null):K-9999 (4) T0147_twice 107 :PHDKATNTQAM 1mdl 199 :SLDVPAAIKRS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues self-bump: 1.38156 Ang N(2) at 24.152 -4.888 17.699 in (null):P-9999 (1) and CD(6) at 24.4635 -3.77343 18.4536 in (null):P-9999 (1) T0147_twice 119 :ATIASGNVHIISHPGNPK 1mdl 210 :QALQQEGVTWIEEPTLQH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:3.14735 Ang CG2(18) at 16.6908 1.83882 27.3915 in (null):I-9999 (3) and CG1(48) at 17.586 4.642 28.508 in (null):V-9999 (8) neighbor-bump: 2.69191 Ang C(36) at 14.025 4.779 32.238 in (null):G-9999 (6) and CB(39) at 13.8599 7.45125 31.9583 in (null):N-9999 (7) neighbor-bump: 2.28253 Ang O(35) at 14.126 5.541 33.179 in (null):G-9999 (6) and CB(39) at 13.8599 7.45125 31.9583 in (null):N-9999 (7) T0147_twice 140 :DVKAVAEAAAKHQVALEINNSS 1mdl 228 :DYEGHQRIQSKLNVPVQMGENW Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.45262 Ang O(130) at 20.766 7.587 12.473 in (null):I-9999 (18) and CG(135) at 20.6434 8.3645 10.1501 in (null):N-9999 (19) neighbor-bump: 2.57611 Ang CG2(128) at 20.4193 4.12203 11.2697 in (null):I-9999 (18) and N(132) at 22.121 6.043 11.494 in (null):N-9999 (19) other bump:2.7577 Ang CG1(34) at 15.5047 1.43166 12.6734 in (null):V-9999 (5) and CD1(129) at 17.5504 3.24529 12.3119 in (null):I-9999 (18) neighbor-bump: 3.06195 Ang C(123) at 19.334 5.725 15.387 in (null):E-9999 (17) and CG1(127) at 18.7486 3.75464 13.1175 in (null):I-9999 (18) other bump:2.0432 Ang CG1(34) at 15.5047 1.43166 12.6734 in (null):V-9999 (5) and CD2(112) at 14.9478 2.10775 14.5194 in (null):L-9999 (16) other bump:2.53314 Ang O(55) at 10.207 -0.711 17.587 in (null):A-9999 (8) and ND1(81) at 10.9628 -0.209016 19.9521 in (null):H-9999 (12) other bump:2.22777 Ang CE(22) at 9.57391 -4.66863 8.30219 in (null):K-9999 (3) and OE2(49) at 8.91536 -6.26057 9.71463 in (null):E-9999 (7) other bump:2.81705 Ang CE(22) at 9.57391 -4.66863 8.30219 in (null):K-9999 (3) and CD(47) at 9.60893 -6.07091 10.7452 in (null):E-9999 (7) other bump:2.89268 Ang CE(22) at 9.57391 -4.66863 8.30219 in (null):K-9999 (3) and CG(46) at 9.78042 -4.62976 11.1872 in (null):E-9999 (7) other bump:2.57075 Ang CG(5) at 16.918 -5.57 8.903 in (null):D-9999 (1) and CB(28) at 15.2712 -5.27617 10.855 in (null):A-9999 (4) other bump:2.10761 Ang OD2(7) at 16.722 -6.37 9.787 in (null):D-9999 (1) and CB(28) at 15.2712 -5.27617 10.855 in (null):A-9999 (4) T0147_twice 172 :NCREVAAAVRDAGGWVALGSDSHTAFTMGEFEECLKILDAVDFP 1mdl 250 :LGPEEMFKALSIGACRLAMPDAMKIGGVTGWIRASALAQQFGIP Fragment has 115 clashes (null) has 115 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 46 residues other bump:3.03021 Ang CG1(300) at 12.2095 11.6722 7.14631 in (null):V-9999 (41) and CZ(320) at 10.993 10.2594 9.53507 in (null):F-9999 (43) other bump:2.60936 Ang O(302) at 10.284 13.381 8.658 in (null):V-9999 (41) and CE2(319) at 11.6367 11.1497 8.67006 in (null):F-9999 (43) other bump:3.06555 Ang CB(299) at 12.3937 12.8949 6.26614 in (null):V-9999 (41) and CE2(319) at 11.6367 11.1497 8.67006 in (null):F-9999 (43) other bump:1.70967 Ang CG1(300) at 12.2095 11.6722 7.14631 in (null):V-9999 (41) and CE2(319) at 11.6367 11.1497 8.67006 in (null):F-9999 (43) other bump:3.03678 Ang CB(299) at 12.3937 12.8949 6.26614 in (null):V-9999 (41) and CD2(317) at 12.6738 11.9622 9.14256 in (null):F-9999 (43) other bump:2.06993 Ang CG1(300) at 12.2095 11.6722 7.14631 in (null):V-9999 (41) and CD2(317) at 12.6738 11.9622 9.14256 in (null):F-9999 (43) other bump:2.64156 Ang CD1(127) at 16.4919 11.6437 10.4739 in (null):L-9999 (18) and CB(314) at 14.1741 12.8008 10.9905 in (null):F-9999 (43) other bump:2.95723 Ang CG(126) at 17.6675 10.6525 10.1864 in (null):L-9999 (18) and CD2(281) at 17.5902 13.1981 8.68344 in (null):L-9999 (38) other bump:2.61307 Ang CD1(127) at 16.4919 11.6437 10.4739 in (null):L-9999 (18) and CD2(281) at 17.5902 13.1981 8.68344 in (null):L-9999 (38) other bump:2.96891 Ang NH2(73) at 18.5404 11.5194 3.93467 in (null):R-9999 (10) and CG2(272) at 15.9675 12.8618 3.30819 in (null):I-9999 (37) other bump:2.61654 Ang NE(70) at 16.6329 11.1272 5.15067 in (null):R-9999 (10) and CG2(272) at 15.9675 12.8618 3.30819 in (null):I-9999 (37) other bump:3.11568 Ang CZ(71) at 17.9548 11.2684 5.10234 in (null):R-9999 (10) and CG2(272) at 15.9675 12.8618 3.30819 in (null):I-9999 (37) other bump:2.85896 Ang CD1(220) at 25.6081 18.9184 7.02342 in (null):F-9999 (31) and CD1(255) at 23.0823 20.2577 7.03247 in (null):L-9999 (35) other bump:2.44546 Ang CE1(222) at 24.9653 19.2423 8.21721 in (null):F-9999 (31) and CD1(255) at 23.0823 20.2577 7.03247 in (null):L-9999 (35) other bump:3.26067 Ang CD(20) at 23.1537 14.31 0.870341 in (null):R-9999 (3) and SG(248) at 22.9594 12.787 3.74687 in (null):C-9999 (34) other bump:2.23726 Ang CG(19) at 23.1572 12.9248 1.52263 in (null):R-9999 (3) and SG(248) at 22.9594 12.787 3.74687 in (null):C-9999 (34) other bump:3.38254 Ang CD(211) at 26.2419 12.3045 3.0882 in (null):E-9999 (30) and SG(248) at 22.9594 12.787 3.74687 in (null):C-9999 (34) other bump:2.86385 Ang OE2(213) at 25.3981 11.3906 3.19512 in (null):E-9999 (30) and SG(248) at 22.9594 12.787 3.74687 in (null):C-9999 (34) other bump:3.03028 Ang NE(21) at 21.8247 14.8913 0.876522 in (null):R-9999 (3) and CA(246) at 21.311 14.966 3.862 in (null):C-9999 (34) other bump:2.66948 Ang CD(20) at 23.1537 14.31 0.870341 in (null):R-9999 (3) and N(245) at 22.001 15.702 2.835 in (null):C-9999 (34) other bump:2.12697 Ang NE(21) at 21.8247 14.8913 0.876522 in (null):R-9999 (3) and N(245) at 22.001 15.702 2.835 in (null):C-9999 (34) other bump:2.94242 Ang CZ(22) at 21.3075 15.7066 -0.0245174 in (null):R-9999 (3) and N(245) at 22.001 15.702 2.835 in (null):C-9999 (34) other bump:2.89426 Ang CD(20) at 23.1537 14.31 0.870341 in (null):R-9999 (3) and C(244) at 21.339 16.321 1.89 in (null):E-9999 (33) other bump:1.81859 Ang NE(21) at 21.8247 14.8913 0.876522 in (null):R-9999 (3) and C(244) at 21.339 16.321 1.89 in (null):E-9999 (33) other bump:2.01095 Ang CZ(22) at 21.3075 15.7066 -0.0245174 in (null):R-9999 (3) and C(244) at 21.339 16.321 1.89 in (null):E-9999 (33) other bump:2.14837 Ang NH2(24) at 20.073 16.1416 0.163574 in (null):R-9999 (3) and C(244) at 21.339 16.321 1.89 in (null):E-9999 (33) other bump:2.36503 Ang CZ(22) at 21.3075 15.7066 -0.0245174 in (null):R-9999 (3) and O(243) at 20.096 16.385 1.89 in (null):E-9999 (33) other bump:1.74365 Ang NH2(24) at 20.073 16.1416 0.163574 in (null):R-9999 (3) and O(243) at 20.096 16.385 1.89 in (null):E-9999 (33) other bump:2.46785 Ang NH1(23) at 21.9773 16.1104 -1.10345 in (null):R-9999 (3) and CD(240) at 24.1565 15.7857 -2.21518 in (null):E-9999 (33) other bump:2.03585 Ang CD(20) at 23.1537 14.31 0.870341 in (null):R-9999 (3) and CB(238) at 22.8043 16.0832 -0.0669337 in (null):E-9999 (33) other bump:1.80845 Ang NE(21) at 21.8247 14.8913 0.876522 in (null):R-9999 (3) and CB(238) at 22.8043 16.0832 -0.0669337 in (null):E-9999 (33) other bump:1.5441 Ang CZ(22) at 21.3075 15.7066 -0.0245174 in (null):R-9999 (3) and CB(238) at 22.8043 16.0832 -0.0669337 in (null):E-9999 (33) other bump:1.3263 Ang NH1(23) at 21.9773 16.1104 -1.10345 in (null):R-9999 (3) and CB(238) at 22.8043 16.0832 -0.0669337 in (null):E-9999 (33) other bump:2.74166 Ang NH2(24) at 20.073 16.1416 0.163574 in (null):R-9999 (3) and CB(238) at 22.8043 16.0832 -0.0669337 in (null):E-9999 (33) other bump:2.9474 Ang CD(20) at 23.1537 14.31 0.870341 in (null):R-9999 (3) and CA(237) at 22.152 17.082 0.865 in (null):E-9999 (33) other bump:2.21509 Ang NE(21) at 21.8247 14.8913 0.876522 in (null):R-9999 (3) and CA(237) at 22.152 17.082 0.865 in (null):E-9999 (33) other bump:1.84291 Ang CZ(22) at 21.3075 15.7066 -0.0245174 in (null):R-9999 (3) and CA(237) at 22.152 17.082 0.865 in (null):E-9999 (33) other bump:2.20213 Ang NH1(23) at 21.9773 16.1104 -1.10345 in (null):R-9999 (3) and CA(237) at 22.152 17.082 0.865 in (null):E-9999 (33) other bump:2.38717 Ang NH2(24) at 20.073 16.1416 0.163574 in (null):R-9999 (3) and CA(237) at 22.152 17.082 0.865 in (null):E-9999 (33) other bump:2.49603 Ang CD(20) at 23.1537 14.31 0.870341 in (null):R-9999 (3) and O(214) at 24.76 15.312 2.497 in (null):E-9999 (30) other bump:2.60914 Ang CA(173) at 27.702 10.784 4.259 in (null):A-9999 (25) and OE2(213) at 25.3981 11.3906 3.19512 in (null):E-9999 (30) other bump:2.27064 Ang O(175) at 27.352 11.911 2.162 in (null):A-9999 (25) and OE2(213) at 25.3981 11.3906 3.19512 in (null):E-9999 (30) other bump:2.49017 Ang CB(174) at 26.848 11.642 5.204 in (null):A-9999 (25) and OE2(213) at 25.3981 11.3906 3.19512 in (null):E-9999 (30) other bump:2.75661 Ang C(176) at 28.147 11.517 3.032 in (null):A-9999 (25) and OE2(213) at 25.3981 11.3906 3.19512 in (null):E-9999 (30) other bump:2.36944 Ang CA(173) at 27.702 10.784 4.259 in (null):A-9999 (25) and OE1(212) at 26.7345 12.9373 4.05488 in (null):E-9999 (30) other bump:2.23998 Ang O(175) at 27.352 11.911 2.162 in (null):A-9999 (25) and OE1(212) at 26.7345 12.9373 4.05488 in (null):E-9999 (30) other bump:1.73525 Ang CB(174) at 26.848 11.642 5.204 in (null):A-9999 (25) and OE1(212) at 26.7345 12.9373 4.05488 in (null):E-9999 (30) other bump:2.24912 Ang C(176) at 28.147 11.517 3.032 in (null):A-9999 (25) and OE1(212) at 26.7345 12.9373 4.05488 in (null):E-9999 (30) other bump:2.85097 Ang CD2(182) at 26.816 10.8629 0.696496 in (null):F-9999 (26) and CD(211) at 26.2419 12.3045 3.0882 in (null):E-9999 (30) other bump:2.41133 Ang CA(173) at 27.702 10.784 4.259 in (null):A-9999 (25) and CD(211) at 26.2419 12.3045 3.0882 in (null):E-9999 (30) other bump:1.49831 Ang O(175) at 27.352 11.911 2.162 in (null):A-9999 (25) and CD(211) at 26.2419 12.3045 3.0882 in (null):E-9999 (30) other bump:2.29845 Ang CB(174) at 26.848 11.642 5.204 in (null):A-9999 (25) and CD(211) at 26.2419 12.3045 3.0882 in (null):E-9999 (30) other bump:2.06219 Ang C(176) at 28.147 11.517 3.032 in (null):A-9999 (25) and CD(211) at 26.2419 12.3045 3.0882 in (null):E-9999 (30) other bump:1.99804 Ang CD2(182) at 26.816 10.8629 0.696496 in (null):F-9999 (26) and CG(210) at 26.7003 12.5946 1.6864 in (null):E-9999 (30) other bump:1.05748 Ang O(175) at 27.352 11.911 2.162 in (null):A-9999 (25) and CG(210) at 26.7003 12.5946 1.6864 in (null):E-9999 (30) other bump:2.40146 Ang CB(179) at 28.8004 12.4454 0.531396 in (null):F-9999 (26) and CG(210) at 26.7003 12.5946 1.6864 in (null):E-9999 (30) other bump:2.49008 Ang CG(180) at 28.1002 11.1392 0.229513 in (null):F-9999 (26) and CG(210) at 26.7003 12.5946 1.6864 in (null):E-9999 (30) other bump:2.25053 Ang C(176) at 28.147 11.517 3.032 in (null):A-9999 (25) and CG(210) at 26.7003 12.5946 1.6864 in (null):E-9999 (30) other bump:3.13946 Ang N(177) at 29.464 11.643 2.832 in (null):F-9999 (26) and CG(210) at 26.7003 12.5946 1.6864 in (null):E-9999 (30) other bump:3.12772 Ang CD2(182) at 26.816 10.8629 0.696496 in (null):F-9999 (26) and CB(209) at 27.6075 13.7812 1.49605 in (null):E-9999 (30) other bump:2.00163 Ang O(175) at 27.352 11.911 2.162 in (null):A-9999 (25) and CB(209) at 27.6075 13.7812 1.49605 in (null):E-9999 (30) other bump:2.0342 Ang CB(179) at 28.8004 12.4454 0.531396 in (null):F-9999 (26) and CB(209) at 27.6075 13.7812 1.49605 in (null):E-9999 (30) other bump:2.97108 Ang CG(180) at 28.1002 11.1392 0.229513 in (null):F-9999 (26) and CB(209) at 27.6075 13.7812 1.49605 in (null):E-9999 (30) other bump:2.78871 Ang C(176) at 28.147 11.517 3.032 in (null):A-9999 (25) and CB(209) at 27.6075 13.7812 1.49605 in (null):E-9999 (30) other bump:3.13102 Ang N(177) at 29.464 11.643 2.832 in (null):F-9999 (26) and CB(209) at 27.6075 13.7812 1.49605 in (null):E-9999 (30) other bump:2.75955 Ang CA(178) at 29.951 12.327 1.588 in (null):F-9999 (26) and CB(209) at 27.6075 13.7812 1.49605 in (null):E-9999 (30) other bump:2.99549 Ang C(187) at 30.589 13.708 1.776 in (null):F-9999 (26) and CB(209) at 27.6075 13.7812 1.49605 in (null):E-9999 (30) neighbor-bump: 2.20685 Ang CG2(191) at 32.8405 17.0541 4.42065 in (null):T-9999 (27) and N(195) at 31.065 17.665 3.261 in (null):M-9999 (28) self-bump: 1.2838 Ang CA(189) at 31.612 15.3 3.343 in (null):T-9999 (27) and CB(190) at 32.769 15.8185 3.54472 in (null):T-9999 (27) other bump:0.678557 Ang CB(12) at 26.326 8.32508 -0.494995 in (null):C-9999 (2) and CZ(185) at 26.8775 8.67442 -0.309811 in (null):F-9999 (26) other bump:2.4948 Ang SG(13) at 25.2844 6.85525 -0.923599 in (null):C-9999 (2) and CZ(185) at 26.8775 8.67442 -0.309811 in (null):F-9999 (26) other bump:3.05776 Ang C(9) at 26.603 6.447 1.767 in (null):N-9999 (1) and CZ(185) at 26.8775 8.67442 -0.309811 in (null):F-9999 (26) other bump:2.45934 Ang N(10) at 26.573 7.778 1.96 in (null):C-9999 (2) and CZ(185) at 26.8775 8.67442 -0.309811 in (null):F-9999 (26) other bump:1.52308 Ang CA(11) at 25.978 8.648 0.919 in (null):C-9999 (2) and CZ(185) at 26.8775 8.67442 -0.309811 in (null):F-9999 (26) other bump:2.88151 Ang C(15) at 24.484 8.971 1.267 in (null):C-9999 (2) and CZ(185) at 26.8775 8.67442 -0.309811 in (null):F-9999 (26) other bump:2.34681 Ang N(16) at 23.917 10.1 0.779 in (null):R-9999 (3) and CE2(184) at 26.1957 9.66213 0.427999 in (null):F-9999 (26) other bump:1.62991 Ang CB(12) at 26.326 8.32508 -0.494995 in (null):C-9999 (2) and CE2(184) at 26.1957 9.66213 0.427999 in (null):F-9999 (26) other bump:3.2459 Ang SG(13) at 25.2844 6.85525 -0.923599 in (null):C-9999 (2) and CE2(184) at 26.1957 9.66213 0.427999 in (null):F-9999 (26) other bump:2.4575 Ang N(10) at 26.573 7.778 1.96 in (null):C-9999 (2) and CE2(184) at 26.1957 9.66213 0.427999 in (null):F-9999 (26) other bump:1.14758 Ang CA(11) at 25.978 8.648 0.919 in (null):C-9999 (2) and CE2(184) at 26.1957 9.66213 0.427999 in (null):F-9999 (26) other bump:2.0277 Ang C(15) at 24.484 8.971 1.267 in (null):C-9999 (2) and CE2(184) at 26.1957 9.66213 0.427999 in (null):F-9999 (26) other bump:1.9514 Ang CB(12) at 26.326 8.32508 -0.494995 in (null):C-9999 (2) and CE1(183) at 28.1514 8.92594 -0.834223 in (null):F-9999 (26) other bump:2.80617 Ang CA(11) at 25.978 8.648 0.919 in (null):C-9999 (2) and CE1(183) at 28.1514 8.92594 -0.834223 in (null):F-9999 (26) other bump:2.84606 Ang CB(12) at 26.326 8.32508 -0.494995 in (null):C-9999 (2) and CD2(182) at 26.816 10.8629 0.696496 in (null):F-9999 (26) other bump:2.37852 Ang CA(11) at 25.978 8.648 0.919 in (null):C-9999 (2) and CD2(182) at 26.816 10.8629 0.696496 in (null):F-9999 (26) other bump:3.05658 Ang C(15) at 24.484 8.971 1.267 in (null):C-9999 (2) and CD2(182) at 26.816 10.8629 0.696496 in (null):F-9999 (26) neighbor-bump: 1.87979 Ang O(175) at 27.352 11.911 2.162 in (null):A-9999 (25) and CD2(182) at 26.816 10.8629 0.696496 in (null):F-9999 (26) neighbor-bump: 2.76661 Ang C(176) at 28.147 11.517 3.032 in (null):A-9999 (25) and CD2(182) at 26.816 10.8629 0.696496 in (null):F-9999 (26) other bump:3.05986 Ang CB(12) at 26.326 8.32508 -0.494995 in (null):C-9999 (2) and CD1(181) at 28.7702 10.1653 -0.545564 in (null):F-9999 (26) neighbor-bump: 2.21133 Ang O(175) at 27.352 11.911 2.162 in (null):A-9999 (25) and CG(180) at 28.1002 11.1392 0.229513 in (null):F-9999 (26) neighbor-bump: 2.82823 Ang C(176) at 28.147 11.517 3.032 in (null):A-9999 (25) and CG(180) at 28.1002 11.1392 0.229513 in (null):F-9999 (26) neighbor-bump: 2.24553 Ang O(175) at 27.352 11.911 2.162 in (null):A-9999 (25) and CB(179) at 28.8004 12.4454 0.531396 in (null):F-9999 (26) other bump:3.15665 Ang C(1) at 26.026 5.896 4.935 in (null):G-9999 (0) and CG2(168) at 29.0942 6.26564 5.57826 in (null):T-9999 (24) other bump:2.53475 Ang O(0) at 26.661 6.901 5.261 in (null):G-9999 (0) and CG2(168) at 29.0942 6.26564 5.57826 in (null):T-9999 (24) other bump:2.41583 Ang CG(5) at 29.1549 4.51985 3.9095 in (null):N-9999 (1) and CG2(168) at 29.0942 6.26564 5.57826 in (null):T-9999 (24) other bump:1.29978 Ang OD1(7) at 28.9425 5.13853 4.94896 in (null):N-9999 (1) and CG2(168) at 29.0942 6.26564 5.57826 in (null):T-9999 (24) other bump:2.75237 Ang OD1(7) at 28.9425 5.13853 4.94896 in (null):N-9999 (1) and CB(167) at 29.8743 7.35903 6.28189 in (null):T-9999 (24) other bump:3.16486 Ang CD(69) at 15.8613 10.845 6.35106 in (null):R-9999 (10) and CD2(128) at 17.9814 10.5399 8.68093 in (null):L-9999 (18) other bump:2.6556 Ang NH1(72) at 18.6964 11.1815 6.2052 in (null):R-9999 (10) and CD2(128) at 17.9814 10.5399 8.68093 in (null):L-9999 (18) other bump:2.57777 Ang NE1(105) at 17.241 8.21559 10.9107 in (null):W-9999 (15) and CG(126) at 17.6675 10.6525 10.1864 in (null):L-9999 (18) other bump:2.9222 Ang CD1(101) at 16.4998 7.81808 11.9895 in (null):W-9999 (15) and C(122) at 17.336 10.057 13.671 in (null):A-9999 (17) other bump:1.80895 Ang CD1(101) at 16.4998 7.81808 11.9895 in (null):W-9999 (15) and O(121) at 17.279 8.891 13.22 in (null):A-9999 (17) other bump:2.40639 Ang NE1(105) at 17.241 8.21559 10.9107 in (null):W-9999 (15) and O(121) at 17.279 8.891 13.22 in (null):A-9999 (17) other bump:2.47421 Ang CB(60) at 17.2919 4.42467 6.18249 in (null):V-9999 (9) and CH2(108) at 17.8681 5.94244 8.04959 in (null):W-9999 (15) other bump:1.99266 Ang CG1(61) at 16.821 4.30242 7.6201 in (null):V-9999 (9) and CH2(108) at 17.8681 5.94244 8.04959 in (null):W-9999 (15) other bump:2.49097 Ang CB(60) at 17.2919 4.42467 6.18249 in (null):V-9999 (9) and CZ3(107) at 17.243 4.84788 8.63676 in (null):W-9999 (15) other bump:1.22852 Ang CG1(61) at 16.821 4.30242 7.6201 in (null):V-9999 (9) and CZ3(107) at 17.243 4.84788 8.63676 in (null):W-9999 (15) other bump:2.36076 Ang CG1(61) at 16.821 4.30242 7.6201 in (null):V-9999 (9) and CE3(104) at 16.6498 4.85828 9.90809 in (null):W-9999 (15) other bump:2.1294 Ang SG(13) at 25.2844 6.85525 -0.923599 in (null):C-9999 (2) and OE2(33) at 25.276 6.92 -3.052 in (null):E-9999 (4) other bump:2.67865 Ang CB(12) at 26.326 8.32508 -0.494995 in (null):C-9999 (2) and OE1(32) at 24.306 8.766 -2.198 in (null):E-9999 (4) other bump:2.49647 Ang SG(13) at 25.2844 6.85525 -0.923599 in (null):C-9999 (2) and OE1(32) at 24.306 8.766 -2.198 in (null):E-9999 (4) other bump:3.04935 Ang CB(12) at 26.326 8.32508 -0.494995 in (null):C-9999 (2) and CD(31) at 24.287 7.508 -2.61 in (null):E-9999 (4) other bump:2.06516 Ang SG(13) at 25.2844 6.85525 -0.923599 in (null):C-9999 (2) and CD(31) at 24.287 7.508 -2.61 in (null):E-9999 (4) other bump:2.67337 Ang SG(13) at 25.2844 6.85525 -0.923599 in (null):C-9999 (2) and CG(30) at 22.996 6.77 -2.303 in (null):E-9999 (4) neighbor-bump: 2.09636 Ang O(8) at 26.166 5.905 0.724 in (null):N-9999 (1) and SG(13) at 25.2844 6.85525 -0.923599 in (null):C-9999 (2) Number of specific fragments= 8 total=399 Number of alignments=32 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1ubpC/T0147_twice-1ubpC-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1ubpC read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1ubpC/T0147_twice-1ubpC-2track-protein-STR-local-adpstyle1.pw.a2m.gz # adding 1ubpC to template set 1ubpC:# found chain 1ubpC in template set T0147_twice 4 :VDLHMHTVASTH 1ubpC 134 :IDTHVHFINPDQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.16631 Ang C(71) at 12.971 72.735 73.53 in (null):A-9999 (9) and CE1(91) at 14.2885 74.8703 71.5986 in (null):H-9999 (12) other bump:2.61845 Ang O(70) at 13.43 73.841 73.848 in (null):A-9999 (9) and CE1(91) at 14.2885 74.8703 71.5986 in (null):H-9999 (12) other bump:2.60483 Ang C(71) at 12.971 72.735 73.53 in (null):A-9999 (9) and ND1(90) at 14.264 74.9099 72.9111 in (null):H-9999 (12) other bump:1.64801 Ang O(70) at 13.43 73.841 73.848 in (null):A-9999 (9) and ND1(90) at 14.264 74.9099 72.9111 in (null):H-9999 (12) T0147_twice 24 :IAQAKQKGIKLF 1ubpC 146 :VDVALANGITTL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.01696 Ang CB(26) at 15.793 82.569 73.907 in (null):A-9999 (4) and CZ(93) at 16.7141 82.1464 72.1631 in (null):F-9999 (12) other bump:2.93843 Ang CB(26) at 15.793 82.569 73.907 in (null):A-9999 (4) and CE2(92) at 17.8848 81.4345 72.1832 in (null):F-9999 (12) other bump:2.95059 Ang CB(26) at 15.793 82.569 73.907 in (null):A-9999 (4) and CE1(91) at 16.0285 82.3578 70.9734 in (null):F-9999 (12) other bump:2.50895 Ang C(14) at 11.279 82.043 76.329 in (null):A-9999 (2) and OE1(43) at 10.2763 83.3645 78.2113 in (null):Q-9999 (6) other bump:1.81871 Ang O(13) at 11.318 83.215 76.728 in (null):A-9999 (2) and OE1(43) at 10.2763 83.3645 78.2113 in (null):Q-9999 (6) other bump:2.37023 Ang O(13) at 11.318 83.215 76.728 in (null):A-9999 (2) and CD(42) at 9.73644 84.4389 78.0003 in (null):Q-9999 (6) T0147_twice 44 :MEDAPHHW 1ubpC 174 :TPGPWNIE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues self-bump: 1.34392 Ang CA(11) at 23.533 66.264 60.952 in (null):E-9999 (2) and CB(12) at 24.8529 66.1126 60.7491 in (null):E-9999 (2) T0147_twice 58 :IWPRVVDGVGI 1ubpC 182 :KMLKSTEGLPI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.90167 Ang C(41) at 9.926 72.702 60.015 in (null):R-9999 (4) and OD2(61) at 9.00327 74.7995 58.2349 in (null):D-9999 (7) other bump:2.78971 Ang CA(32) at 10.449 72.443 58.608 in (null):R-9999 (4) and OD2(61) at 9.00327 74.7995 58.2349 in (null):D-9999 (7) other bump:2.15433 Ang O(29) at 11.933 74.759 58.858 in (null):P-9999 (3) and CG1(52) at 12.8005 76.2418 60.158 in (null):V-9999 (6) other bump:2.93619 Ang C(30) at 12.544 73.693 58.723 in (null):P-9999 (3) and CG1(52) at 12.8005 76.2418 60.158 in (null):V-9999 (6) other bump:2.98112 Ang C(1) at 14.314 69.36 57.18 in (null):G-9999 (0) and CD(28) at 15.5245 71.7026 58.5707 in (null):P-9999 (3) T0147_twice 125 :NVHIISHPGNPK 1ubpC 193 :NVGILGKGHGSS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:1.87857 Ang ND2(74) at 34.522 65.9948 54.9637 in (null):N-9999 (10) and O(92) at 34.343 65.314 53.222 in (null):K-9999 (12) neighbor-bump: 2.13069 Ang C(77) at 35.996 64.333 57.222 in (null):N-9999 (10) and CD(82) at 36.1323 62.2102 57.1 in (null):P-9999 (11) other bump:3.1321 Ang CD2(53) at 30.2638 65.8096 61.4297 in (null):H-9999 (7) and CA(67) at 33.207 66.38 60.523 in (null):G-9999 (9) other bump:2.96945 Ang NE2(56) at 31.1351 65.3388 62.3779 in (null):H-9999 (7) and CA(67) at 33.207 66.38 60.523 in (null):G-9999 (9) neighbor-bump: 2.1605 Ang CA(50) at 28.195 68.505 61.353 in (null):H-9999 (7) and CD(63) at 29.6751 69.8032 62.2428 in (null):P-9999 (8) neighbor-bump: 1.93543 Ang C(58) at 29.471 68.834 60.58 in (null):H-9999 (7) and CD(63) at 29.6751 69.8032 62.2428 in (null):P-9999 (8) self-bump: 1.28754 Ang N(59) at 30.412 69.479 61.238 in (null):P-9999 (8) and CD(63) at 29.6751 69.8032 62.2428 in (null):P-9999 (8) self-bump: 2.0599 Ang N(59) at 30.412 69.479 61.238 in (null):P-9999 (8) and CG(62) at 30.8115 70.3371 63.0675 in (null):P-9999 (8) self-bump: 2.14693 Ang N(59) at 30.412 69.479 61.238 in (null):P-9999 (8) and CB(61) at 31.8127 70.8635 62.0927 in (null):P-9999 (8) T0147_twice 141 :VKAVAEAAAKHQVA 1ubpC 205 :IAPIMEQIDAGAAG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.40413 Ang CB(96) at 28.3535 77.6935 59.0017 in (null):A-9999 (14) and N(99) at 28.743 75.526 59.966 in (null):G-9999 (15) self-bump: 2.15231 Ang CB(96) at 28.3535 77.6935 59.0017 in (null):A-9999 (14) and C(98) at 27.595 75.704 59.316 in (null):A-9999 (14) self-bump: 1.23045 Ang CA(95) at 27.267 77.127 58.89 in (null):A-9999 (14) and CB(96) at 28.3535 77.6935 59.0017 in (null):A-9999 (14) other bump:2.8544 Ang CA(45) at 24.707 69.693 54.417 in (null):A-9999 (7) and NE2(84) at 24.7919 70.4292 57.1735 in (null):Q-9999 (12) other bump:1.82483 Ang CB(46) at 25.496 69.573 55.724 in (null):A-9999 (7) and NE2(84) at 24.7919 70.4292 57.1735 in (null):Q-9999 (12) neighbor-bump: 2.65688 Ang C(67) at 19.935 72.213 52.822 in (null):K-9999 (10) and CD2(72) at 17.6089 73.0301 51.8317 in (null):H-9999 (11) neighbor-bump: 1.90777 Ang O(66) at 18.731 72.086 53.052 in (null):K-9999 (10) and CD2(72) at 17.6089 73.0301 51.8317 in (null):H-9999 (11) neighbor-bump: 2.72595 Ang C(67) at 19.935 72.213 52.822 in (null):K-9999 (10) and CG(71) at 17.6436 73.6759 53.0221 in (null):H-9999 (11) neighbor-bump: 1.92644 Ang O(66) at 18.731 72.086 53.052 in (null):K-9999 (10) and CG(71) at 17.6436 73.6759 53.0221 in (null):H-9999 (11) neighbor-bump: 2.34457 Ang C(67) at 19.935 72.213 52.822 in (null):K-9999 (10) and CB(70) at 18.5818 73.5317 54.2101 in (null):H-9999 (11) neighbor-bump: 1.85836 Ang O(66) at 18.731 72.086 53.052 in (null):K-9999 (10) and CB(70) at 18.5818 73.5317 54.2101 in (null):H-9999 (11) T0147_twice 158 :NNSS 1ubpC 222 :HEDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 167 :KGSEDNCREVAAAVRDAGGWVALGSDS 1ubpC 226 :GATPASIDRSLTVADEADVQVAIHSDT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.87659 Ang CD2(164) at 37.8035 74.1696 68.2439 in (null):L-9999 (23) and CB(173) at 39.398 72.768 70.185 in (null):S-9999 (25) other bump:3.13292 Ang CD2(164) at 37.8035 74.1696 68.2439 in (null):L-9999 (23) and CA(172) at 38.218 71.77 70.215 in (null):S-9999 (25) neighbor-bump: 3.09333 Ang NE1(141) at 32.5012 80.8445 63.4099 in (null):W-9999 (20) and C(153) at 32.808 77.853 62.685 in (null):V-9999 (21) neighbor-bump: 2.59741 Ang CD1(137) at 32.1682 80.8128 62.0821 in (null):W-9999 (20) and O(152) at 33.518 78.803 63.023 in (null):V-9999 (21) neighbor-bump: 2.3133 Ang NE1(141) at 32.5012 80.8445 63.4099 in (null):W-9999 (20) and O(152) at 33.518 78.803 63.023 in (null):V-9999 (21) other bump:2.28576 Ang CG2(98) at 32.9716 76.392 56.9713 in (null):V-9999 (14) and CG2(151) at 33.62 76.464 59.162 in (null):V-9999 (21) neighbor-bump: 2.68079 Ang CD1(137) at 32.1682 80.8128 62.0821 in (null):W-9999 (20) and N(147) at 32.226 78.68 60.459 in (null):V-9999 (21) other bump:2.17539 Ang CG1(97) at 33.3868 78.7949 56.4151 in (null):V-9999 (14) and O(131) at 31.691 80.112 56.764 in (null):G-9999 (19) Number of specific fragments= 8 total=407 Number of alignments=33 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1ubpC/T0147_twice-1ubpC-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1ubpC read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1ubpC/T0147_twice-1ubpC-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1ubpC in template set T0147_twice 3 :PVDLHMHTVAST 1ubpC 133 :GIDTHVHFINPD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0147_twice 23 :YIAQAKQKGIKLF 1ubpC 145 :QVDVALANGITTL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.01696 Ang CB(38) at 15.793 82.569 73.907 in (null):A-9999 (5) and CZ(105) at 16.7141 82.1464 72.1631 in (null):F-9999 (13) other bump:2.93843 Ang CB(38) at 15.793 82.569 73.907 in (null):A-9999 (5) and CE2(104) at 17.8848 81.4345 72.1832 in (null):F-9999 (13) other bump:2.95059 Ang CB(38) at 15.793 82.569 73.907 in (null):A-9999 (5) and CE1(103) at 16.0285 82.3578 70.9734 in (null):F-9999 (13) other bump:2.50895 Ang C(26) at 11.279 82.043 76.329 in (null):A-9999 (3) and OE1(55) at 10.2763 83.3645 78.2113 in (null):Q-9999 (7) other bump:1.81871 Ang O(25) at 11.318 83.215 76.728 in (null):A-9999 (3) and OE1(55) at 10.2763 83.3645 78.2113 in (null):Q-9999 (7) other bump:2.37023 Ang O(25) at 11.318 83.215 76.728 in (null):A-9999 (3) and CD(54) at 9.73644 84.4389 78.0003 in (null):Q-9999 (7) T0147_twice 41 :GPDMEDAPHH 1ubpC 160 :GGTGPAEGSK Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.67452 Ang C(37) at 17.534 64.26 72.729 in (null):E-9999 (5) and NE2(75) at 18.1934 65.9649 74.6813 in (null):H-9999 (10) other bump:2.1316 Ang CA(30) at 16.869 65.593 73.053 in (null):E-9999 (5) and NE2(75) at 18.1934 65.9649 74.6813 in (null):H-9999 (10) other bump:2.61569 Ang CB(31) at 15.6346 65.7017 74.207 in (null):E-9999 (5) and NE2(75) at 18.1934 65.9649 74.6813 in (null):H-9999 (10) other bump:2.67705 Ang C(37) at 17.534 64.26 72.729 in (null):E-9999 (5) and CD2(72) at 19.3567 65.7988 73.9441 in (null):H-9999 (10) other bump:2.65049 Ang CA(30) at 16.869 65.593 73.053 in (null):E-9999 (5) and CD2(72) at 19.3567 65.7988 73.9441 in (null):H-9999 (10) other bump:2.34688 Ang CB(15) at 17.6876 66.3145 65.8182 in (null):D-9999 (3) and NE2(65) at 19.9923 66.0955 66.2037 in (null):H-9999 (9) other bump:2.79348 Ang N(13) at 18.37 68.252 67.03 in (null):D-9999 (3) and CE1(64) at 20.6945 67.176 65.9153 in (null):H-9999 (9) other bump:3.09838 Ang C(12) at 18.731 69.465 66.626 in (null):P-9999 (2) and CE1(64) at 20.6945 67.176 65.9153 in (null):H-9999 (9) other bump:3.08282 Ang CA(7) at 20.077 69.916 67.186 in (null):P-9999 (2) and CE1(64) at 20.6945 67.176 65.9153 in (null):H-9999 (9) other bump:2.86621 Ang C(12) at 18.731 69.465 66.626 in (null):P-9999 (2) and ND1(63) at 21.0115 67.7805 67.0469 in (null):H-9999 (9) other bump:2.33512 Ang CA(7) at 20.077 69.916 67.186 in (null):P-9999 (2) and ND1(63) at 21.0115 67.7805 67.0469 in (null):H-9999 (9) other bump:2.74769 Ang N(13) at 18.37 68.252 67.03 in (null):D-9999 (3) and CD2(62) at 19.8536 66.0024 67.5669 in (null):H-9999 (9) other bump:2.80123 Ang CB(15) at 17.6876 66.3145 65.8182 in (null):D-9999 (3) and CD2(62) at 19.8536 66.0024 67.5669 in (null):H-9999 (9) other bump:2.66201 Ang N(13) at 18.37 68.252 67.03 in (null):D-9999 (3) and CG(61) at 20.4959 67.0653 68.1063 in (null):H-9999 (9) other bump:3.02472 Ang CA(7) at 20.077 69.916 67.186 in (null):P-9999 (2) and CG(61) at 20.4959 67.0653 68.1063 in (null):H-9999 (9) other bump:2.58259 Ang CG(41) at 20.1824 62.5668 68.8469 in (null):D-9999 (6) and CD(55) at 22.6379 62.2764 69.5923 in (null):P-9999 (8) other bump:1.96178 Ang OD1(42) at 20.772 61.6777 69.501 in (null):D-9999 (6) and CD(55) at 22.6379 62.2764 69.5923 in (null):P-9999 (8) neighbor-bump: 2.80479 Ang SD(25) at 13.0198 65.606 71.147 in (null):M-9999 (4) and OE1(34) at 14.0116 67.5081 72.954 in (null):E-9999 (5) neighbor-bump: 2.25333 Ang CG(24) at 14.6682 65.1635 70.5653 in (null):M-9999 (4) and N(29) at 16.074 66.196 71.992 in (null):E-9999 (5) neighbor-bump: 1.99484 Ang O(19) at 15.188 66.664 67.535 in (null):D-9999 (3) and CB(23) at 15.1166 66.0824 69.4418 in (null):M-9999 (4) neighbor-bump: 2.4371 Ang C(20) at 16.125 67.44 67.687 in (null):D-9999 (3) and CB(23) at 15.1166 66.0824 69.4418 in (null):M-9999 (4) neighbor-bump: 2.57161 Ang N(2) at 22.341 74.161 66.514 in (null):G-9999 (1) and CD(10) at 20.6744 72.2727 67.0336 in (null):P-9999 (2) neighbor-bump: 1.79822 Ang CA(3) at 21.87 72.942 65.869 in (null):G-9999 (1) and CD(10) at 20.6744 72.2727 67.0336 in (null):P-9999 (2) neighbor-bump: 1.3333 Ang O(4) at 21.486 72.156 68.085 in (null):G-9999 (1) and CD(10) at 20.6744 72.2727 67.0336 in (null):P-9999 (2) neighbor-bump: 0.669724 Ang C(5) at 21.267 71.994 66.893 in (null):G-9999 (1) and CD(10) at 20.6744 72.2727 67.0336 in (null):P-9999 (2) neighbor-bump: 1.84032 Ang O(4) at 21.486 72.156 68.085 in (null):G-9999 (1) and CG(9) at 19.6481 72.0704 68.124 in (null):P-9999 (2) neighbor-bump: 2.03523 Ang C(5) at 21.267 71.994 66.893 in (null):G-9999 (1) and CG(9) at 19.6481 72.0704 68.124 in (null):P-9999 (2) neighbor-bump: 2.25095 Ang O(4) at 21.486 72.156 68.085 in (null):G-9999 (1) and CB(8) at 19.8757 70.6479 68.5314 in (null):P-9999 (2) neighbor-bump: 2.53618 Ang C(5) at 21.267 71.994 66.893 in (null):G-9999 (1) and CB(8) at 19.8757 70.6479 68.5314 in (null):P-9999 (2) T0147_twice 52 :HFINMRIWPRVVDGVGILRG 1ubpC 176 :GPWNIEKMLKSTEGLPINVG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.84186 Ang C(79) at 14.286 72.273 60.667 in (null):W-9999 (8) and NH1(158) at 15.2542 74.1767 62.5417 in (null):R-9999 (19) other bump:2.78972 Ang CA(88) at 10.449 72.443 58.608 in (null):R-9999 (10) and OD2(117) at 9.00328 74.7995 58.2349 in (null):D-9999 (13) other bump:2.90168 Ang C(97) at 9.926 72.702 60.015 in (null):R-9999 (10) and OD2(117) at 9.00328 74.7995 58.2349 in (null):D-9999 (13) other bump:2.93619 Ang C(86) at 12.544 73.693 58.723 in (null):P-9999 (9) and CG1(108) at 12.8005 76.2418 60.158 in (null):V-9999 (12) other bump:2.15432 Ang O(85) at 11.933 74.759 58.858 in (null):P-9999 (9) and CG1(108) at 12.8005 76.2418 60.158 in (null):V-9999 (12) other bump:2.98112 Ang C(57) at 14.314 69.36 57.18 in (null):R-9999 (6) and CD(84) at 15.5245 71.7026 58.5707 in (null):P-9999 (9) other bump:2.62133 Ang C(46) at 17.206 69.888 57.704 in (null):M-9999 (5) and CD(84) at 15.5245 71.7026 58.5707 in (null):P-9999 (9) other bump:1.40999 Ang O(45) at 16.581 70.866 58.156 in (null):M-9999 (5) and CD(84) at 15.5245 71.7026 58.5707 in (null):P-9999 (9) other bump:3.1241 Ang C(46) at 17.206 69.888 57.704 in (null):M-9999 (5) and CG(83) at 15.9028 72.7208 57.5113 in (null):P-9999 (9) other bump:2.07744 Ang O(45) at 16.581 70.866 58.156 in (null):M-9999 (5) and CG(83) at 15.9028 72.7208 57.5113 in (null):P-9999 (9) T0147_twice 128 :IISHPGNPK 1ubpC 196 :ILGKGHGSS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.87857 Ang ND2(49) at 34.522 65.9948 54.9637 in (null):N-9999 (7) and O(67) at 34.343 65.314 53.222 in (null):K-9999 (9) neighbor-bump: 2.13069 Ang C(52) at 35.996 64.333 57.222 in (null):N-9999 (7) and CD(57) at 36.1323 62.2102 57.1 in (null):P-9999 (8) other bump:3.1321 Ang CD2(28) at 30.2638 65.8096 61.4297 in (null):H-9999 (4) and CA(42) at 33.207 66.38 60.523 in (null):G-9999 (6) other bump:2.96945 Ang NE2(31) at 31.1351 65.3388 62.3779 in (null):H-9999 (4) and CA(42) at 33.207 66.38 60.523 in (null):G-9999 (6) neighbor-bump: 1.93543 Ang C(33) at 29.471 68.834 60.58 in (null):H-9999 (4) and CD(38) at 29.6751 69.8032 62.2428 in (null):P-9999 (5) neighbor-bump: 2.1605 Ang CA(25) at 28.195 68.505 61.353 in (null):H-9999 (4) and CD(38) at 29.6751 69.8032 62.2428 in (null):P-9999 (5) self-bump: 1.28754 Ang N(34) at 30.412 69.479 61.238 in (null):P-9999 (5) and CD(38) at 29.6751 69.8032 62.2428 in (null):P-9999 (5) self-bump: 2.0599 Ang N(34) at 30.412 69.479 61.238 in (null):P-9999 (5) and CG(37) at 30.8115 70.3371 63.0675 in (null):P-9999 (5) self-bump: 2.14693 Ang N(34) at 30.412 69.479 61.238 in (null):P-9999 (5) and CB(36) at 31.8127 70.8635 62.0927 in (null):P-9999 (5) T0147_twice 141 :VKAVAEAAAKHQVA 1ubpC 205 :IAPIMEQIDAGAAG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.40413 Ang CB(96) at 28.3535 77.6935 59.0017 in (null):A-9999 (14) and N(99) at 28.743 75.526 59.966 in (null):G-9999 (15) self-bump: 2.15231 Ang CB(96) at 28.3535 77.6935 59.0017 in (null):A-9999 (14) and C(98) at 27.595 75.704 59.316 in (null):A-9999 (14) self-bump: 1.23045 Ang CA(95) at 27.267 77.127 58.89 in (null):A-9999 (14) and CB(96) at 28.3535 77.6935 59.0017 in (null):A-9999 (14) other bump:2.8544 Ang CA(45) at 24.707 69.693 54.417 in (null):A-9999 (7) and NE2(84) at 24.7919 70.4292 57.1735 in (null):Q-9999 (12) other bump:1.82483 Ang CB(46) at 25.496 69.573 55.724 in (null):A-9999 (7) and NE2(84) at 24.7919 70.4292 57.1735 in (null):Q-9999 (12) neighbor-bump: 2.65688 Ang C(67) at 19.935 72.213 52.822 in (null):K-9999 (10) and CD2(72) at 17.6089 73.0301 51.8317 in (null):H-9999 (11) neighbor-bump: 1.90777 Ang O(66) at 18.731 72.086 53.052 in (null):K-9999 (10) and CD2(72) at 17.6089 73.0301 51.8317 in (null):H-9999 (11) neighbor-bump: 2.72595 Ang C(67) at 19.935 72.213 52.822 in (null):K-9999 (10) and CG(71) at 17.6436 73.6759 53.0221 in (null):H-9999 (11) neighbor-bump: 1.92644 Ang O(66) at 18.731 72.086 53.052 in (null):K-9999 (10) and CG(71) at 17.6436 73.6759 53.0221 in (null):H-9999 (11) neighbor-bump: 2.34457 Ang C(67) at 19.935 72.213 52.822 in (null):K-9999 (10) and CB(70) at 18.5818 73.5317 54.2101 in (null):H-9999 (11) neighbor-bump: 1.85836 Ang O(66) at 18.731 72.086 53.052 in (null):K-9999 (10) and CB(70) at 18.5818 73.5317 54.2101 in (null):H-9999 (11) T0147_twice 158 :NNSS 1ubpC 222 :HEDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 167 :KGSEDNCREVAAAVRDAGGWVALGSDSHTAFTM 1ubpC 226 :GATPASIDRSLTVADEADVQVAIHSDTLNEAGF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.87659 Ang CD2(164) at 37.8035 74.1696 68.2439 in (null):L-9999 (23) and CB(173) at 39.398 72.768 70.185 in (null):S-9999 (25) other bump:3.13292 Ang CD2(164) at 37.8035 74.1696 68.2439 in (null):L-9999 (23) and CA(172) at 38.218 71.77 70.215 in (null):S-9999 (25) neighbor-bump: 3.09333 Ang NE1(141) at 32.5012 80.8445 63.4099 in (null):W-9999 (20) and C(153) at 32.808 77.853 62.685 in (null):V-9999 (21) neighbor-bump: 2.59741 Ang CD1(137) at 32.1682 80.8128 62.0821 in (null):W-9999 (20) and O(152) at 33.518 78.803 63.023 in (null):V-9999 (21) neighbor-bump: 2.3133 Ang NE1(141) at 32.5012 80.8445 63.4099 in (null):W-9999 (20) and O(152) at 33.518 78.803 63.023 in (null):V-9999 (21) other bump:2.28576 Ang CG2(98) at 32.9716 76.392 56.9713 in (null):V-9999 (14) and CG2(151) at 33.62 76.464 59.162 in (null):V-9999 (21) neighbor-bump: 2.68079 Ang CD1(137) at 32.1682 80.8128 62.0821 in (null):W-9999 (20) and N(147) at 32.226 78.68 60.459 in (null):V-9999 (21) other bump:2.17539 Ang CG1(97) at 33.3868 78.7949 56.4151 in (null):V-9999 (14) and O(131) at 31.691 80.112 56.764 in (null):G-9999 (19) T0147_twice 216 :PERILNVSPRRLLNFLESRG 1ubpC 259 :LEDTLRAINGRVIHSFHVEG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.50679 Ang OG(63) at 41.6889 76.5188 62.5398 in (null):S-9999 (8) and CD1(107) at 39.3957 77.4946 62.8102 in (null):L-9999 (13) neighbor-bump: 1.74297 Ang CA(61) at 43.062 76.157 60.732 in (null):S-9999 (8) and CD(70) at 44.4946 75.8721 59.781 in (null):P-9999 (9) other bump:3.1922 Ang CA(54) at 45.036 72.884 60.765 in (null):V-9999 (7) and CD(70) at 44.4946 75.8721 59.781 in (null):P-9999 (9) other bump:2.12393 Ang O(58) at 43.691 74.018 59.127 in (null):V-9999 (7) and CD(70) at 44.4946 75.8721 59.781 in (null):P-9999 (9) other bump:1.9558 Ang C(59) at 44.127 74.019 60.287 in (null):V-9999 (7) and CD(70) at 44.4946 75.8721 59.781 in (null):P-9999 (9) neighbor-bump: 2.3036 Ang O(64) at 43.163 77.384 58.664 in (null):S-9999 (8) and CD(70) at 44.4946 75.8721 59.781 in (null):P-9999 (9) neighbor-bump: 1.76132 Ang N(60) at 43.831 74.98 61.147 in (null):S-9999 (8) and CD(70) at 44.4946 75.8721 59.781 in (null):P-9999 (9) neighbor-bump: 1.27743 Ang C(65) at 43.784 76.923 59.631 in (null):S-9999 (8) and CD(70) at 44.4946 75.8721 59.781 in (null):P-9999 (9) self-bump: 1.33115 Ang N(66) at 45.102 77.056 59.744 in (null):P-9999 (9) and CD(70) at 44.4946 75.8721 59.781 in (null):P-9999 (9) neighbor-bump: 2.6176 Ang CA(61) at 43.062 76.157 60.732 in (null):S-9999 (8) and CG(69) at 44.0864 75.9125 58.3356 in (null):P-9999 (9) other bump:2.09085 Ang O(58) at 43.691 74.018 59.127 in (null):V-9999 (7) and CG(69) at 44.0864 75.9125 58.3356 in (null):P-9999 (9) other bump:2.71932 Ang C(59) at 44.127 74.019 60.287 in (null):V-9999 (7) and CG(69) at 44.0864 75.9125 58.3356 in (null):P-9999 (9) neighbor-bump: 1.76804 Ang O(64) at 43.163 77.384 58.664 in (null):S-9999 (8) and CG(69) at 44.0864 75.9125 58.3356 in (null):P-9999 (9) neighbor-bump: 2.97296 Ang N(60) at 43.831 74.98 61.147 in (null):S-9999 (8) and CG(69) at 44.0864 75.9125 58.3356 in (null):P-9999 (9) neighbor-bump: 1.6705 Ang C(65) at 43.784 76.923 59.631 in (null):S-9999 (8) and CG(69) at 44.0864 75.9125 58.3356 in (null):P-9999 (9) self-bump: 2.07906 Ang N(66) at 45.102 77.056 59.744 in (null):P-9999 (9) and CG(69) at 44.0864 75.9125 58.3356 in (null):P-9999 (9) neighbor-bump: 2.53422 Ang C(65) at 43.784 76.923 59.631 in (null):S-9999 (8) and CB(68) at 45.311 76.4473 57.6652 in (null):P-9999 (9) T0147_twice 281 :AITDHGPDMEDAPHHWHFINMRIWPRVVDGVG 1ubpC 279 :AGGGHAPDIMAMAGHPNVLPSSTNPTRPFTVN Fragment has 50 clashes (null) has 50 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.52667 Ang CG1(236) at 32.0739 87.9705 87.5973 in (null):V-9999 (28) and N(240) at 32.815 85.584 87.224 in (null):D-9999 (29) neighbor-bump: 2.72276 Ang CB(228) at 30.8614 85.7202 83.0531 in (null):V-9999 (27) and CA(234) at 31.054 86.333 85.699 in (null):V-9999 (28) neighbor-bump: 2.38247 Ang CG1(229) at 30.4173 87.0903 83.5317 in (null):V-9999 (27) and CA(234) at 31.054 86.333 85.699 in (null):V-9999 (28) neighbor-bump: 2.93489 Ang CG2(230) at 32.3849 85.584 83.1928 in (null):V-9999 (27) and CA(234) at 31.054 86.333 85.699 in (null):V-9999 (28) neighbor-bump: 2.29148 Ang CG1(229) at 30.4173 87.0903 83.5317 in (null):V-9999 (27) and N(233) at 29.656 86.057 85.43 in (null):V-9999 (28) self-bump: 2.43937 Ang CG1(229) at 30.4173 87.0903 83.5317 in (null):V-9999 (27) and C(232) at 29.159 85.249 84.52 in (null):V-9999 (27) self-bump: 1.32881 Ang CA(227) at 30.107 84.706 83.463 in (null):V-9999 (27) and CB(228) at 30.8614 85.7202 83.0531 in (null):V-9999 (27) other bump:2.13387 Ang CB(4) at 34.77 76.174 82.124 in (null):A-9999 (1) and NH1(222) at 36.059 77.2451 83.4449 in (null):R-9999 (26) other bump:2.65285 Ang CG2(11) at 31.3108 75.7921 76.4455 in (null):I-9999 (2) and CD1(191) at 30.4108 77.2946 78.438 in (null):I-9999 (23) other bump:2.36859 Ang CB(9) at 32.2489 76.0448 77.6198 in (null):I-9999 (2) and CD1(191) at 30.4108 77.2946 78.438 in (null):I-9999 (23) other bump:1.26657 Ang CG1(10) at 31.5458 76.808 78.719 in (null):I-9999 (2) and CD1(191) at 30.4108 77.2946 78.438 in (null):I-9999 (23) other bump:1.39367 Ang CD1(12) at 31.3669 78.3076 78.4836 in (null):I-9999 (2) and CD1(191) at 30.4108 77.2946 78.438 in (null):I-9999 (23) other bump:2.40184 Ang CG1(10) at 31.5458 76.808 78.719 in (null):I-9999 (2) and CG1(189) at 30.4025 78.8226 78.0841 in (null):I-9999 (23) other bump:1.16399 Ang CD1(12) at 31.3669 78.3076 78.4836 in (null):I-9999 (2) and CG1(189) at 30.4025 78.8226 78.0841 in (null):I-9999 (23) other bump:2.62972 Ang CD1(12) at 31.3669 78.3076 78.4836 in (null):I-9999 (2) and CB(188) at 29.4008 79.232 77.002 in (null):I-9999 (23) other bump:2.18493 Ang CG(143) at 39.6114 82.6717 67.7345 in (null):F-9999 (18) and OD1(164) at 38.5536 82.8124 69.6411 in (null):N-9999 (20) other bump:2.53373 Ang CD1(144) at 39.0565 81.4203 67.5847 in (null):F-9999 (18) and OD1(164) at 38.5536 82.8124 69.6411 in (null):N-9999 (20) other bump:1.22564 Ang CD2(145) at 39.3874 83.3379 68.9124 in (null):F-9999 (18) and OD1(164) at 38.5536 82.8124 69.6411 in (null):N-9999 (20) other bump:2.23828 Ang CE1(146) at 38.3238 80.842 68.6044 in (null):F-9999 (18) and OD1(164) at 38.5536 82.8124 69.6411 in (null):N-9999 (20) other bump:0.305316 Ang CE2(147) at 38.6324 82.7694 69.9329 in (null):F-9999 (18) and OD1(164) at 38.5536 82.8124 69.6411 in (null):N-9999 (20) other bump:1.37409 Ang CZ(148) at 38.119 81.5162 69.7786 in (null):F-9999 (18) and OD1(164) at 38.5536 82.8124 69.6411 in (null):N-9999 (20) other bump:1.76871 Ang CD2(145) at 39.3874 83.3379 68.9124 in (null):F-9999 (18) and ND2(163) at 39.5657 84.8097 69.877 in (null):N-9999 (20) other bump:2.24426 Ang CE2(147) at 38.6324 82.7694 69.9329 in (null):F-9999 (18) and ND2(163) at 39.5657 84.8097 69.877 in (null):N-9999 (20) other bump:2.53046 Ang CA(90) at 41.377 84.804 71.644 in (null):P-9999 (13) and ND2(163) at 39.5657 84.8097 69.877 in (null):N-9999 (20) other bump:2.86482 Ang CG(143) at 39.6114 82.6717 67.7345 in (null):F-9999 (18) and CG(162) at 38.5685 83.9597 70.0712 in (null):N-9999 (20) other bump:1.54924 Ang CD2(145) at 39.3874 83.3379 68.9124 in (null):F-9999 (18) and CG(162) at 38.5685 83.9597 70.0712 in (null):N-9999 (20) other bump:1.19996 Ang CE2(147) at 38.6324 82.7694 69.9329 in (null):F-9999 (18) and CG(162) at 38.5685 83.9597 70.0712 in (null):N-9999 (20) other bump:3.03365 Ang CD2(145) at 39.3874 83.3379 68.9124 in (null):F-9999 (18) and CB(161) at 37.3989 84.4456 70.9179 in (null):N-9999 (20) other bump:2.30246 Ang CE2(147) at 38.6324 82.7694 69.9329 in (null):F-9999 (18) and CB(161) at 37.3989 84.4456 70.9179 in (null):N-9999 (20) other bump:3.02475 Ang CE2(147) at 38.6324 82.7694 69.9329 in (null):F-9999 (18) and CA(160) at 36.115 84.437 70.109 in (null):N-9999 (20) neighbor-bump: 2.40702 Ang CA(85) at 42.817 81.38 70.732 in (null):A-9999 (12) and CD(93) at 41.7265 82.5206 72.5496 in (null):P-9999 (13) neighbor-bump: 2.82563 Ang CB(86) at 41.561 80.518 70.563 in (null):A-9999 (12) and CD(93) at 41.7265 82.5206 72.5496 in (null):P-9999 (13) neighbor-bump: 2.10144 Ang C(88) at 42.357 82.817 70.567 in (null):A-9999 (12) and CD(93) at 41.7265 82.5206 72.5496 in (null):P-9999 (13) other bump:2.0974 Ang O(74) at 42.453 82.543 74.517 in (null):E-9999 (10) and CD(93) at 41.7265 82.5206 72.5496 in (null):P-9999 (13) other bump:2.87773 Ang C(75) at 42.777 81.442 75.002 in (null):E-9999 (10) and CD(93) at 41.7265 82.5206 72.5496 in (null):P-9999 (13) neighbor-bump: 2.32902 Ang N(84) at 43.491 81.106 71.993 in (null):A-9999 (12) and CD(93) at 41.7265 82.5206 72.5496 in (null):P-9999 (13) self-bump: 1.3228 Ang N(89) at 41.93 83.465 71.646 in (null):P-9999 (13) and CD(93) at 41.7265 82.5206 72.5496 in (null):P-9999 (13) other bump:2.83393 Ang C(83) at 44.477 81.841 72.487 in (null):D-9999 (11) and CD(93) at 41.7265 82.5206 72.5496 in (null):P-9999 (13) other bump:2.20554 Ang O(74) at 42.453 82.543 74.517 in (null):E-9999 (10) and CG(92) at 40.667 83.1964 73.3999 in (null):P-9999 (13) other bump:3.17748 Ang C(75) at 42.777 81.442 75.002 in (null):E-9999 (10) and CG(92) at 40.667 83.1964 73.3999 in (null):P-9999 (13) self-bump: 2.17797 Ang N(89) at 41.93 83.465 71.646 in (null):P-9999 (13) and CG(92) at 40.667 83.1964 73.3999 in (null):P-9999 (13) other bump:2.64543 Ang CB(24) at 38.5079 74.2679 73.8861 in (null):D-9999 (4) and CE(64) at 40.2399 74.3691 71.8891 in (null):M-9999 (9) other bump:2.73276 Ang CB(24) at 38.5079 74.2679 73.8861 in (null):D-9999 (4) and CG(62) at 40.1054 76.4815 73.7619 in (null):M-9999 (9) other bump:2.46849 Ang CG(25) at 38.3174 75.2972 74.9842 in (null):D-9999 (4) and CG(62) at 40.1054 76.4815 73.7619 in (null):M-9999 (9) other bump:2.46357 Ang OD2(27) at 37.8159 76.4066 74.6683 in (null):D-9999 (4) and CG(62) at 40.1054 76.4815 73.7619 in (null):M-9999 (9) other bump:2.96706 Ang CG(25) at 38.3174 75.2972 74.9842 in (null):D-9999 (4) and CB(61) at 41.1562 76.1371 74.7856 in (null):M-9999 (9) neighbor-bump: 2.04603 Ang O(20) at 36.47 74.43 75.13 in (null):T-9999 (3) and CG(25) at 38.3174 75.2972 74.9842 in (null):D-9999 (4) neighbor-bump: 2.71714 Ang C(21) at 36.579 73.294 75.574 in (null):T-9999 (3) and CG(25) at 38.3174 75.2972 74.9842 in (null):D-9999 (4) neighbor-bump: 2.10488 Ang O(13) at 32.793 72.946 76.555 in (null):I-9999 (2) and CG2(18) at 33.5683 70.999 76.3585 in (null):T-9999 (3) neighbor-bump: 2.82999 Ang C(14) at 33.473 73.671 77.286 in (null):I-9999 (2) and CG2(18) at 33.5683 70.999 76.3585 in (null):T-9999 (3) T0147_twice 383 :EIDVKAVAEAAAKHQ 1ubpC 311 :TIDEHLDMLMVCHHL Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.41566 Ang OE2(66) at 34.7021 66.7823 82.9274 in (null):E-9999 (9) and OE1(108) at 35.3269 65.0489 84.4896 in (null):Q-9999 (15) other bump:2.33142 Ang OE1(65) at 34.1091 66.9542 85.0573 in (null):E-9999 (9) and OE1(108) at 35.3269 65.0489 84.4896 in (null):Q-9999 (15) other bump:2.67595 Ang CD(64) at 34.075 67.3282 83.8587 in (null):E-9999 (9) and OE1(108) at 35.3269 65.0489 84.4896 in (null):Q-9999 (15) other bump:2.25005 Ang OE1(65) at 34.1091 66.9542 85.0573 in (null):E-9999 (9) and CD(107) at 34.4974 64.7493 85.2816 in (null):Q-9999 (15) other bump:2.97553 Ang CD(64) at 34.075 67.3282 83.8587 in (null):E-9999 (9) and CD(107) at 34.4974 64.7493 85.2816 in (null):Q-9999 (15) other bump:0.549159 Ang OE2(66) at 34.7021 66.7823 82.9274 in (null):E-9999 (9) and NZ(90) at 34.6932 67.2448 82.6314 in (null):K-9999 (13) other bump:2.09578 Ang CG(63) at 33.2769 68.5415 83.471 in (null):E-9999 (9) and NZ(90) at 34.6932 67.2448 82.6314 in (null):K-9999 (13) other bump:1.37677 Ang CD(64) at 34.075 67.3282 83.8587 in (null):E-9999 (9) and NZ(90) at 34.6932 67.2448 82.6314 in (null):K-9999 (13) other bump:1.62662 Ang OE2(66) at 34.7021 66.7823 82.9274 in (null):E-9999 (9) and CE(89) at 34.0098 66.5039 81.4821 in (null):K-9999 (13) other bump:2.94019 Ang CG(63) at 33.2769 68.5415 83.471 in (null):E-9999 (9) and CE(89) at 34.0098 66.5039 81.4821 in (null):K-9999 (13) other bump:2.51641 Ang CD(64) at 34.075 67.3282 83.8587 in (null):E-9999 (9) and CE(89) at 34.0098 66.5039 81.4821 in (null):K-9999 (13) other bump:2.66453 Ang OE2(66) at 34.7021 66.7823 82.9274 in (null):E-9999 (9) and CD(88) at 32.6932 67.2513 81.241 in (null):K-9999 (13) other bump:2.64162 Ang CG(63) at 33.2769 68.5415 83.471 in (null):E-9999 (9) and CD(88) at 32.6932 67.2513 81.241 in (null):K-9999 (13) other bump:2.96102 Ang CD(64) at 34.075 67.3282 83.8587 in (null):E-9999 (9) and CD(88) at 32.6932 67.2513 81.241 in (null):K-9999 (13) T0147_twice 412 :KGSE 1ubpC 326 :KQNI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 416 :DNCREVAAAVRDAGGWVALGSDSHTAFTMGE 1ubpC 342 :PETIAAEDILHDLGIISMMSTDALAMGRAGE Fragment has 77 clashes (null) has 77 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:1.53942 Ang OG(160) at 20.1338 77.1186 74.2901 in (null):S-9999 (23) and CE(208) at 20.9584 78.0497 75.1972 in (null):M-9999 (29) other bump:2.2715 Ang N(157) at 22.971 77.008 75.352 in (null):S-9999 (23) and CE(208) at 20.9584 78.0497 75.1972 in (null):M-9999 (29) other bump:1.7374 Ang CA(158) at 21.675 76.619 75.874 in (null):S-9999 (23) and CE(208) at 20.9584 78.0497 75.1972 in (null):M-9999 (29) other bump:0.75252 Ang CB(159) at 20.566 77.5305 75.5749 in (null):S-9999 (23) and CE(208) at 20.9584 78.0497 75.1972 in (null):M-9999 (29) other bump:3.07504 Ang C(162) at 21.466 75.127 76.007 in (null):S-9999 (23) and CE(208) at 20.9584 78.0497 75.1972 in (null):M-9999 (29) other bump:2.43615 Ang CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) and CE(208) at 20.9584 78.0497 75.1972 in (null):M-9999 (29) other bump:2.5038 Ang OG(146) at 22.5337 79.9927 75.0852 in (null):S-9999 (21) and CE(208) at 20.9584 78.0497 75.1972 in (null):M-9999 (29) other bump:1.12217 Ang OG(160) at 20.1338 77.1186 74.2901 in (null):S-9999 (23) and SD(207) at 19.3288 77.7847 74.6994 in (null):M-9999 (29) other bump:2.87112 Ang CA(158) at 21.675 76.619 75.874 in (null):S-9999 (23) and SD(207) at 19.3288 77.7847 74.6994 in (null):M-9999 (29) other bump:1.53684 Ang CB(159) at 20.566 77.5305 75.5749 in (null):S-9999 (23) and SD(207) at 19.3288 77.7847 74.6994 in (null):M-9999 (29) other bump:2.71469 Ang OG(160) at 20.1338 77.1186 74.2901 in (null):S-9999 (23) and CG(206) at 18.3836 77.737 76.2709 in (null):M-9999 (29) other bump:2.78339 Ang CD2(167) at 17.9162 75.0881 76.9868 in (null):H-9999 (24) and CG(206) at 18.3836 77.737 76.2709 in (null):M-9999 (29) other bump:2.29998 Ang CB(159) at 20.566 77.5305 75.5749 in (null):S-9999 (23) and CG(206) at 18.3836 77.737 76.2709 in (null):M-9999 (29) other bump:2.09454 Ang O(155) at 24.141 75.419 76.424 in (null):D-9999 (22) and CZ(193) at 23.7201 76.131 74.4997 in (null):F-9999 (27) other bump:1.314 Ang C(156) at 24.122 76.436 75.713 in (null):D-9999 (22) and CZ(193) at 23.7201 76.131 74.4997 in (null):F-9999 (27) other bump:1.43412 Ang N(157) at 22.971 77.008 75.352 in (null):S-9999 (23) and CZ(193) at 23.7201 76.131 74.4997 in (null):F-9999 (27) other bump:2.51186 Ang CA(158) at 21.675 76.619 75.874 in (null):S-9999 (23) and CZ(193) at 23.7201 76.131 74.4997 in (null):F-9999 (27) other bump:2.89158 Ang C(162) at 21.466 75.127 76.007 in (null):S-9999 (23) and CZ(193) at 23.7201 76.131 74.4997 in (null):F-9999 (27) other bump:2.83782 Ang N(149) at 25.153 78.52 75.041 in (null):D-9999 (22) and CZ(193) at 23.7201 76.131 74.4997 in (null):F-9999 (27) other bump:2.0191 Ang CA(150) at 25.382 77.081 75.142 in (null):D-9999 (22) and CZ(193) at 23.7201 76.131 74.4997 in (null):F-9999 (27) other bump:2.57444 Ang O(155) at 24.141 75.419 76.424 in (null):D-9999 (22) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:1.45317 Ang C(156) at 24.122 76.436 75.713 in (null):D-9999 (22) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:0.609105 Ang N(157) at 22.971 77.008 75.352 in (null):S-9999 (23) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:1.9912 Ang CA(158) at 21.675 76.619 75.874 in (null):S-9999 (23) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:2.79058 Ang CB(159) at 20.566 77.5305 75.5749 in (null):S-9999 (23) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:3.06509 Ang C(162) at 21.466 75.127 76.007 in (null):S-9999 (23) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:2.73446 Ang OG(146) at 22.5337 79.9927 75.0852 in (null):S-9999 (21) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:2.19593 Ang N(149) at 25.153 78.52 75.041 in (null):D-9999 (22) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:2.12214 Ang CA(150) at 25.382 77.081 75.142 in (null):D-9999 (22) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:2.93606 Ang C(148) at 25.14 79.374 76.046 in (null):S-9999 (21) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:1.33924 Ang O(155) at 24.141 75.419 76.424 in (null):D-9999 (22) and CE1(191) at 24.6859 75.4218 75.2006 in (null):F-9999 (27) other bump:1.26849 Ang C(156) at 24.122 76.436 75.713 in (null):D-9999 (22) and CE1(191) at 24.6859 75.4218 75.2006 in (null):F-9999 (27) other bump:2.34091 Ang N(157) at 22.971 77.008 75.352 in (null):S-9999 (23) and CE1(191) at 24.6859 75.4218 75.2006 in (null):F-9999 (27) other bump:2.28472 Ang OD1(153) at 26.796 74.696 74.71 in (null):D-9999 (22) and CE1(191) at 24.6859 75.4218 75.2006 in (null):F-9999 (27) other bump:1.80023 Ang CA(150) at 25.382 77.081 75.142 in (null):D-9999 (22) and CE1(191) at 24.6859 75.4218 75.2006 in (null):F-9999 (27) other bump:2.44981 Ang CB(151) at 26.616 76.725 75.961 in (null):D-9999 (22) and CE1(191) at 24.6859 75.4218 75.2006 in (null):F-9999 (27) other bump:2.70628 Ang CG(152) at 27.379 75.525 75.447 in (null):D-9999 (22) and CE1(191) at 24.6859 75.4218 75.2006 in (null):F-9999 (27) other bump:2.50231 Ang O(155) at 24.141 75.419 76.424 in (null):D-9999 (22) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:1.5459 Ang C(156) at 24.122 76.436 75.713 in (null):D-9999 (22) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:1.46244 Ang N(157) at 22.971 77.008 75.352 in (null):S-9999 (23) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:2.50764 Ang CA(158) at 21.675 76.619 75.874 in (null):S-9999 (23) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:2.95401 Ang CA(144) at 24.508 80.744 75.862 in (null):S-9999 (21) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:2.83122 Ang CB(145) at 23.1601 80.6392 76.1796 in (null):S-9999 (21) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:2.27316 Ang O(147) at 25.489 79.043 77.178 in (null):S-9999 (21) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:1.84927 Ang N(149) at 25.153 78.52 75.041 in (null):D-9999 (22) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:2.02831 Ang CA(150) at 25.382 77.081 75.142 in (null):D-9999 (22) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:3.0333 Ang CB(151) at 26.616 76.725 75.961 in (null):D-9999 (22) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:1.99167 Ang C(148) at 25.14 79.374 76.046 in (null):S-9999 (21) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:1.19838 Ang O(155) at 24.141 75.419 76.424 in (null):D-9999 (22) and CD1(189) at 25.2155 75.9482 76.3837 in (null):F-9999 (27) other bump:1.3724 Ang C(156) at 24.122 76.436 75.713 in (null):D-9999 (22) and CD1(189) at 25.2155 75.9482 76.3837 in (null):F-9999 (27) other bump:2.68798 Ang N(157) at 22.971 77.008 75.352 in (null):S-9999 (23) and CD1(189) at 25.2155 75.9482 76.3837 in (null):F-9999 (27) other bump:2.62055 Ang OD1(153) at 26.796 74.696 74.71 in (null):D-9999 (22) and CD1(189) at 25.2155 75.9482 76.3837 in (null):F-9999 (27) other bump:2.9019 Ang N(149) at 25.153 78.52 75.041 in (null):D-9999 (22) and CD1(189) at 25.2155 75.9482 76.3837 in (null):F-9999 (27) other bump:1.68904 Ang CA(150) at 25.382 77.081 75.142 in (null):D-9999 (22) and CD1(189) at 25.2155 75.9482 76.3837 in (null):F-9999 (27) other bump:1.65639 Ang CB(151) at 26.616 76.725 75.961 in (null):D-9999 (22) and CD1(189) at 25.2155 75.9482 76.3837 in (null):F-9999 (27) other bump:2.39528 Ang CG(152) at 27.379 75.525 75.447 in (null):D-9999 (22) and CD1(189) at 25.2155 75.9482 76.3837 in (null):F-9999 (27) other bump:1.92829 Ang O(155) at 24.141 75.419 76.424 in (null):D-9999 (22) and CG(188) at 24.7852 77.1813 76.8686 in (null):F-9999 (27) other bump:1.52665 Ang C(156) at 24.122 76.436 75.713 in (null):D-9999 (22) and CG(188) at 24.7852 77.1813 76.8686 in (null):F-9999 (27) other bump:2.37096 Ang N(157) at 22.971 77.008 75.352 in (null):S-9999 (23) and CG(188) at 24.7852 77.1813 76.8686 in (null):F-9999 (27) other bump:2.01422 Ang O(147) at 25.489 79.043 77.178 in (null):S-9999 (21) and CG(188) at 24.7852 77.1813 76.8686 in (null):F-9999 (27) other bump:2.2951 Ang N(149) at 25.153 78.52 75.041 in (null):D-9999 (22) and CG(188) at 24.7852 77.1813 76.8686 in (null):F-9999 (27) other bump:1.82955 Ang CA(150) at 25.382 77.081 75.142 in (null):D-9999 (22) and CG(188) at 24.7852 77.1813 76.8686 in (null):F-9999 (27) other bump:2.09371 Ang CB(151) at 26.616 76.725 75.961 in (null):D-9999 (22) and CG(188) at 24.7852 77.1813 76.8686 in (null):F-9999 (27) other bump:2.36866 Ang C(148) at 25.14 79.374 76.046 in (null):S-9999 (21) and CG(188) at 24.7852 77.1813 76.8686 in (null):F-9999 (27) other bump:3.01027 Ang C(156) at 24.122 76.436 75.713 in (null):D-9999 (22) and CB(187) at 25.3191 77.7244 78.1561 in (null):F-9999 (27) other bump:1.6505 Ang O(147) at 25.489 79.043 77.178 in (null):S-9999 (21) and CB(187) at 25.3191 77.7244 78.1561 in (null):F-9999 (27) other bump:3.08263 Ang CA(150) at 25.382 77.081 75.142 in (null):D-9999 (22) and CB(187) at 25.3191 77.7244 78.1561 in (null):F-9999 (27) other bump:2.73845 Ang CB(151) at 26.616 76.725 75.961 in (null):D-9999 (22) and CB(187) at 25.3191 77.7244 78.1561 in (null):F-9999 (27) other bump:2.68433 Ang C(148) at 25.14 79.374 76.046 in (null):S-9999 (21) and CB(187) at 25.3191 77.7244 78.1561 in (null):F-9999 (27) neighbor-bump: 2.66163 Ang C(162) at 21.466 75.127 76.007 in (null):S-9999 (23) and CB(165) at 19.6348 73.2235 76.335 in (null):H-9999 (24) self-bump: 1.3888 Ang CA(144) at 24.508 80.744 75.862 in (null):S-9999 (21) and CB(145) at 23.1601 80.6392 76.1796 in (null):S-9999 (21) other bump:2.52274 Ang CB(53) at 37.146 84.327 81.158 in (null):A-9999 (7) and CH2(116) at 36.7628 83.6292 78.7642 in (null):W-9999 (16) other bump:2.8935 Ang CB(53) at 37.146 84.327 81.158 in (null):A-9999 (7) and CZ3(115) at 35.6916 84.5203 78.6641 in (null):W-9999 (16) other bump:3.11045 Ang CG1(69) at 39.6834 87.9728 76.8054 in (null):V-9999 (10) and NE1(113) at 38.8042 85.0798 76.0759 in (null):W-9999 (16) other bump:3.07033 Ang NE(78) at 33.0799 86.7255 78.7971 in (null):R-9999 (11) and CE3(112) at 35.7021 85.5388 77.7284 in (null):W-9999 (16) other bump:2.6313 Ang CG1(69) at 39.6834 87.9728 76.8054 in (null):V-9999 (10) and CD1(109) at 38.4202 86.1497 75.3896 in (null):W-9999 (16) other bump:3.03912 Ang CG1(69) at 39.6834 87.9728 76.8054 in (null):V-9999 (10) and CG(108) at 37.1959 86.4826 75.8954 in (null):W-9999 (16) Number of specific fragments= 13 total=420 Number of alignments=34 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1pymA/T0147_twice-1pymA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1pymA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1pymA/T0147_twice-1pymA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # adding 1pymA to template set 1pymA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 419, because occupancy 0.5 <= existing 0.500001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 550, because occupancy 0.5 <= existing 0.500001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1776, because occupancy 0.5 <= existing 0.500001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # found chain 1pymA in template set T0147_twice 18 :STLSDYIAQAKQKGIKLF 1pymA 6 :KKTTQLKQMLNSKDLEFI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.47349 Ang CA(63) at 20.869 68.953 56.262 in (null):Q-9999 (9) and NZ(121) at 21.921 68.4708 57.1741 in (null):K-9999 (16) other bump:0.555717 Ang CB(64) at 22.2358 68.7967 56.8524 in (null):Q-9999 (9) and NZ(121) at 21.921 68.4708 57.1741 in (null):K-9999 (16) other bump:2.11699 Ang C(70) at 19.901 69.044 57.444 in (null):Q-9999 (9) and NZ(121) at 21.921 68.4708 57.1741 in (null):K-9999 (16) other bump:1.88571 Ang CG(65) at 23.3099 68.3616 55.9033 in (null):Q-9999 (9) and NZ(121) at 21.921 68.4708 57.1741 in (null):K-9999 (16) other bump:2.7387 Ang CD(66) at 24.5793 68.0597 56.6597 in (null):Q-9999 (9) and NZ(121) at 21.921 68.4708 57.1741 in (null):K-9999 (16) other bump:2.78905 Ang CA(63) at 20.869 68.953 56.262 in (null):Q-9999 (9) and CE(120) at 22.9024 67.352 57.3017 in (null):K-9999 (16) other bump:1.65326 Ang CB(64) at 22.2358 68.7967 56.8524 in (null):Q-9999 (9) and CE(120) at 22.9024 67.352 57.3017 in (null):K-9999 (16) other bump:2.06443 Ang NE2(68) at 24.8407 66.7815 56.8784 in (null):Q-9999 (9) and CE(120) at 22.9024 67.352 57.3017 in (null):K-9999 (16) other bump:1.77224 Ang CG(65) at 23.3099 68.3616 55.9033 in (null):Q-9999 (9) and CE(120) at 22.9024 67.352 57.3017 in (null):K-9999 (16) other bump:1.93005 Ang CD(66) at 24.5793 68.0597 56.6597 in (null):Q-9999 (9) and CE(120) at 22.9024 67.352 57.3017 in (null):K-9999 (16) other bump:3.30715 Ang CA(63) at 20.869 68.953 56.262 in (null):Q-9999 (9) and CD(119) at 22.3135 66.0303 56.8171 in (null):K-9999 (16) other bump:2.76773 Ang CB(64) at 22.2358 68.7967 56.8524 in (null):Q-9999 (9) and CD(119) at 22.3135 66.0303 56.8171 in (null):K-9999 (16) other bump:2.69496 Ang CG(65) at 23.3099 68.3616 55.9033 in (null):Q-9999 (9) and CD(119) at 22.3135 66.0303 56.8171 in (null):K-9999 (16) other bump:3.04584 Ang CD(66) at 24.5793 68.0597 56.6597 in (null):Q-9999 (9) and CD(119) at 22.3135 66.0303 56.8171 in (null):K-9999 (16) T0147_twice 37 :ITDHGPD 1pymA 24 :MEAHNGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0147_twice 44 :MEDAPHHW 1pymA 46 :SGLSVSAQ Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.95031 Ang CB(34) at 37.5253 73.8493 70.6369 in (null):P-9999 (5) and NE1(67) at 40.3648 73.2601 70.0943 in (null):W-9999 (8) other bump:2.30425 Ang CA(33) at 38.4 72.831 71.219 in (null):P-9999 (5) and NE1(67) at 40.3648 73.2601 70.0943 in (null):W-9999 (8) other bump:2.47321 Ang O(37) at 40.32 73.514 72.554 in (null):P-9999 (5) and NE1(67) at 40.3648 73.2601 70.0943 in (null):W-9999 (8) other bump:2.76222 Ang C(38) at 39.082 73.312 72.54 in (null):P-9999 (5) and NE1(67) at 40.3648 73.2601 70.0943 in (null):W-9999 (8) other bump:2.87071 Ang O(37) at 40.32 73.514 72.554 in (null):P-9999 (5) and CE2(65) at 41.55 73.9525 69.9975 in (null):W-9999 (8) other bump:2.49787 Ang CA(33) at 38.4 72.831 71.219 in (null):P-9999 (5) and CD1(63) at 40.6535 71.9873 70.5488 in (null):W-9999 (8) other bump:2.53887 Ang O(30) at 39.354 70.32 71.955 in (null):A-9999 (4) and CD1(63) at 40.6535 71.9873 70.5488 in (null):W-9999 (8) other bump:2.54225 Ang O(37) at 40.32 73.514 72.554 in (null):P-9999 (5) and CD1(63) at 40.6535 71.9873 70.5488 in (null):W-9999 (8) other bump:2.66419 Ang C(9) at 33.551 71.873 70.738 in (null):M-9999 (1) and CD(36) at 36.2107 71.8839 70.8926 in (null):P-9999 (5) other bump:1.46265 Ang O(8) at 34.762 72.011 70.736 in (null):M-9999 (1) and CD(36) at 36.2107 71.8839 70.8926 in (null):P-9999 (5) other bump:3.23452 Ang C(9) at 33.551 71.873 70.738 in (null):M-9999 (1) and CG(35) at 36.4602 73.049 69.9532 in (null):P-9999 (5) other bump:2.13868 Ang O(8) at 34.762 72.011 70.736 in (null):M-9999 (1) and CG(35) at 36.4602 73.049 69.9532 in (null):P-9999 (5) T0147_twice 60 :PRVVDG 1pymA 54 :LGVRDS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.00726 Ang O(7) at 45.554 74.478 75.861 in (null):P-9999 (1) and CG(12) at 46.7829 72.8956 75.9826 in (null):R-9999 (2) neighbor-bump: 2.37864 Ang C(8) at 44.655 73.78 75.393 in (null):P-9999 (1) and CG(12) at 46.7829 72.8956 75.9826 in (null):R-9999 (2) neighbor-bump: 1.87013 Ang O(7) at 45.554 74.478 75.861 in (null):P-9999 (1) and CB(11) at 46.1163 73.3255 77.2222 in (null):R-9999 (2) neighbor-bump: 2.38497 Ang C(8) at 44.655 73.78 75.393 in (null):P-9999 (1) and CB(11) at 46.1163 73.3255 77.2222 in (null):R-9999 (2) self-bump: 1.36455 Ang N(2) at 43.291 72.857 73.541 in (null):P-9999 (1) and CD(6) at 42.0783 73.0581 72.9485 in (null):P-9999 (1) T0147_twice 106 :APHDKATNTQAMIATIASGNVHII 1pymA 60 :NEASWTQVVEVLEFMSDASDVPIL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.55582 Ang OD1(58) at 34.6709 78.8506 68.9832 in (null):N-9999 (8) and CE(87) at 34.1965 79.736 66.6331 in (null):M-9999 (12) other bump:3.12691 Ang OD1(58) at 34.6709 78.8506 68.9832 in (null):N-9999 (8) and SD(86) at 33.7675 78.0235 66.1062 in (null):M-9999 (12) T0147_twice 155 :LEINNSS 1pymA 84 :LDADTGY Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 1.44028 Ang O(41) at 24.787 82.365 74.799 in (null):N-9999 (5) and OG(46) at 24.8929 83.7503 74.4194 in (null):S-9999 (6) neighbor-bump: 2.34651 Ang C(42) at 25.674 81.55 74.653 in (null):N-9999 (5) and OG(46) at 24.8929 83.7503 74.4194 in (null):S-9999 (6) neighbor-bump: 2.11517 Ang O(41) at 24.787 82.365 74.799 in (null):N-9999 (5) and CB(45) at 25.2667 83.4961 73.0773 in (null):S-9999 (6) neighbor-bump: 2.53699 Ang C(42) at 25.674 81.55 74.653 in (null):N-9999 (5) and CB(45) at 25.2667 83.4961 73.0773 in (null):S-9999 (6) other bump:2.84358 Ang CD2(7) at 31.354 79.069 67.305 in (null):L-9999 (1) and CG2(23) at 28.7144 79.3509 68.3244 in (null):I-9999 (3) T0147_twice 168 :GSEDNCREVAAAVRDAGGWVALGSD 1pymA 91 :GNFNNARRLVRKLEDRGVAGACLED Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues T0147_twice 193 :SHTAFTMGEFEECLKILDAVDFPPE 1pymA 129 :AQPLADIEEFALKIKACKDSQTDPD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues self-bump: 1.31986 Ang CA(166) at 23.726 88.741 56.301 in (null):F-9999 (22) and CB(167) at 24.7615 89.3679 55.7748 in (null):F-9999 (22) other bump:2.14196 Ang O(127) at 20.347 88.888 65.613 in (null):I-9999 (16) and CG2(154) at 21.483 90.6145 65.0505 in (null):V-9999 (20) other bump:2.55874 Ang O(127) at 20.347 88.888 65.613 in (null):I-9999 (16) and CB(152) at 22.1398 89.7204 63.9882 in (null):V-9999 (20) other bump:3.1206 Ang CZ(38) at 18.3209 79.0717 76.4409 in (null):F-9999 (5) and CE2(76) at 18.926 79.692 73.443 in (null):F-9999 (10) other bump:2.89501 Ang CE2(37) at 19.5554 78.991 76.9916 in (null):F-9999 (5) and CE1(75) at 20.636 80.563 74.814 in (null):F-9999 (10) other bump:2.64311 Ang CZ(38) at 18.3209 79.0717 76.4409 in (null):F-9999 (5) and CD2(74) at 17.964 80.39 74.178 in (null):F-9999 (10) other bump:2.73399 Ang CZ(38) at 18.3209 79.0717 76.4409 in (null):F-9999 (5) and CD1(73) at 19.687 81.27 75.56 in (null):F-9999 (10) other bump:2.6946 Ang CE2(37) at 19.5554 78.991 76.9916 in (null):F-9999 (5) and CD1(73) at 19.687 81.27 75.56 in (null):F-9999 (10) other bump:2.87005 Ang CD2(35) at 19.9356 79.8337 78.0323 in (null):F-9999 (5) and CD1(73) at 19.687 81.27 75.56 in (null):F-9999 (10) other bump:2.25883 Ang CE1(36) at 17.4148 79.9968 76.9316 in (null):F-9999 (5) and CG(72) at 18.33 81.194 75.249 in (null):F-9999 (10) other bump:2.32789 Ang CD1(34) at 17.7787 80.8326 77.9723 in (null):F-9999 (5) and CB(71) at 17.296 82.01 76.023 in (null):F-9999 (10) other bump:2.21199 Ang CE1(36) at 17.4148 79.9968 76.9316 in (null):F-9999 (5) and CB(71) at 17.296 82.01 76.023 in (null):F-9999 (10) other bump:2.77144 Ang OG1(45) at 15.5484 85.4487 80.9688 in (null):T-9999 (6) and CB(62) at 16.483 86.456 78.562 in (null):E-9999 (9) other bump:2.34419 Ang O(0) at 24.939 70.981 88.448 in (null):G-9999 (0) and CE1(14) at 25.1214 70.2028 86.2443 in (null):H-9999 (2) other bump:3.05125 Ang C(1) at 25.998 71.453 88.886 in (null):G-9999 (0) and CE1(14) at 25.1214 70.2028 86.2443 in (null):H-9999 (2) other bump:2.49004 Ang O(0) at 24.939 70.981 88.448 in (null):G-9999 (0) and ND1(13) at 24.0887 71.0184 86.108 in (null):H-9999 (2) T0147_twice 250 :DLHMHTVASTHAYSTLSDYIAQA 1pymA 154 :FCIVARVEAFIAGWGLDEALKRA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.54571 Ang CA(66) at 16.124 71.641 80.709 in (null):S-9999 (9) and OG(108) at 14.6083 70.942 82.6312 in (null):S-9999 (14) other bump:2.36901 Ang CB(67) at 14.6804 71.7994 80.424 in (null):S-9999 (9) and OG(108) at 14.6083 70.942 82.6312 in (null):S-9999 (14) other bump:1.99006 Ang O(69) at 16.419 70.117 82.596 in (null):S-9999 (9) and OG(108) at 14.6083 70.942 82.6312 in (null):S-9999 (14) other bump:2.25511 Ang C(70) at 16.325 70.212 81.364 in (null):S-9999 (9) and OG(108) at 14.6083 70.942 82.6312 in (null):S-9999 (14) neighbor-bump: 2.64521 Ang O(91) at 18.191 70.726 86.674 in (null):A-9999 (12) and CD1(97) at 19.7084 69.0633 88.0633 in (null):Y-9999 (13) T0147_twice 363 :IATIASGNVHIISHPGNPK 1pymA 177 :EAYRNAGADAILMHSKKAD Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.10301 Ang OD1(118) at 18.6737 59.4672 78.965 in (null):N-9999 (17) and O(135) at 18.897 58.087 77.394 in (null):K-9999 (19) neighbor-bump: 2.37728 Ang O(100) at 18.407 66.711 76.942 in (null):H-9999 (14) and CD(106) at 19.4729 65.1287 75.5237 in (null):P-9999 (15) neighbor-bump: 1.64173 Ang C(101) at 19.472 66.522 76.392 in (null):H-9999 (14) and CD(106) at 19.4729 65.1287 75.5237 in (null):P-9999 (15) neighbor-bump: 2.3244 Ang CA(93) at 19.939 67.385 75.216 in (null):H-9999 (14) and CD(106) at 19.4729 65.1287 75.5237 in (null):P-9999 (15) other bump:3.05912 Ang CG1(25) at 11.73 75.183 67.612 in (null):I-9999 (4) and CG1(73) at 13.968 73.464 68.793 in (null):I-9999 (11) other bump:2.24398 Ang OD1(50) at 16.7799 75.8153 66.4193 in (null):N-9999 (8) and C(69) at 16.719 73.584 66.189 in (null):H-9999 (10) other bump:2.36371 Ang CG(48) at 16.9329 76.9878 66.8506 in (null):N-9999 (8) and O(68) at 17.18 74.645 66.657 in (null):H-9999 (10) other bump:1.25944 Ang OD1(50) at 16.7799 75.8153 66.4193 in (null):N-9999 (8) and O(68) at 17.18 74.645 66.657 in (null):H-9999 (10) T0147_twice 383 :EIDVKAVAEAAAKHQVALEINNSSFLHS 1pymA 196 :PSDIEAFMKAWNNQGPVVIVPTKYYKTP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.04273 Ang O(175) at 22.576 55.948 73.348 in (null):S-9999 (24) and CE1(202) at 21.7062 57.1829 71.9728 in (null):H-9999 (27) other bump:2.94293 Ang C(176) at 23.419 56.258 74.18 in (null):S-9999 (24) and CE1(202) at 21.7062 57.1829 71.9728 in (null):H-9999 (27) other bump:1.5333 Ang O(175) at 22.576 55.948 73.348 in (null):S-9999 (24) and ND1(201) at 21.425 55.9435 72.3349 in (null):H-9999 (27) other bump:2.73478 Ang C(176) at 23.419 56.258 74.18 in (null):S-9999 (24) and ND1(201) at 21.425 55.9435 72.3349 in (null):H-9999 (27) other bump:2.26851 Ang O(77) at 5.942 69.025 68.246 in (null):A-9999 (11) and CD2(97) at 4.84274 70.8175 67.3947 in (null):H-9999 (14) T0147_twice 411 :RKGSEDNCREVAAAVRDA 1pymA 238 :ANHNLRASVSAIQQTTKQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 2.72971 Ang C(12) at 31.808 65.16 70.27 in (null):R-9999 (1) and CG(16) at 32.5563 65.6875 72.8416 in (null):K-9999 (2) T0147_twice 444 :MGEFEECLKILDAVDFPPERILNVSPRRLLNFLESRGMA 1pymA 256 :IYDDQSLVNVEDKIVSVKEIFRLQRDDELVQAEDKYLPK Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:1.72061 Ang O(170) at 50.771 67.365 52.663 in (null):I-9999 (21) and CD(205) at 50.4216 68.7708 51.7345 in (null):P-9999 (26) other bump:2.91914 Ang C(171) at 51.226 66.334 53.126 in (null):I-9999 (21) and CD(205) at 50.4216 68.7708 51.7345 in (null):P-9999 (26) other bump:2.84971 Ang C(194) at 48.513 70.26 53.238 in (null):V-9999 (24) and CD(205) at 50.4216 68.7708 51.7345 in (null):P-9999 (26) neighbor-bump: 2.3358 Ang N(195) at 48.227 69.372 52.262 in (null):S-9999 (25) and CD(205) at 50.4216 68.7708 51.7345 in (null):P-9999 (26) self-bump: 1.37563 Ang N(201) at 50.536 69.743 50.768 in (null):P-9999 (26) and CD(205) at 50.4216 68.7708 51.7345 in (null):P-9999 (26) other bump:1.76715 Ang O(170) at 50.771 67.365 52.663 in (null):I-9999 (21) and CG(204) at 51.8245 68.7396 52.3118 in (null):P-9999 (26) other bump:2.60926 Ang C(171) at 51.226 66.334 53.126 in (null):I-9999 (21) and CG(204) at 51.8245 68.7396 52.3118 in (null):P-9999 (26) other bump:2.76887 Ang CG2(168) at 53.9032 66.9307 52.0414 in (null):I-9999 (21) and CG(204) at 51.8245 68.7396 52.3118 in (null):P-9999 (26) other bump:2.97512 Ang CA(165) at 52.439 66.395 54.037 in (null):I-9999 (21) and CG(204) at 51.8245 68.7396 52.3118 in (null):P-9999 (26) other bump:2.6174 Ang CG2(168) at 53.9032 66.9307 52.0414 in (null):I-9999 (21) and CB(203) at 52.7062 69.081 51.1505 in (null):P-9999 (26) other bump:2.66585 Ang CE2(126) at 56.9324 59.5567 54.4065 in (null):F-9999 (16) and CG(140) at 56.144 61.021 52.323 in (null):P-9999 (18) other bump:2.84618 Ang CD2(124) at 55.6428 59.3026 54.8414 in (null):F-9999 (16) and CB(139) at 54.657 60.852 52.667 in (null):P-9999 (18) other bump:3.08786 Ang CD2(124) at 55.6428 59.3026 54.8414 in (null):F-9999 (16) and CA(138) at 54.207 61.812 53.757 in (null):P-9999 (18) other bump:2.32929 Ang CD2(124) at 55.6428 59.3026 54.8414 in (null):F-9999 (16) and N(137) at 54.841 61.481 55.034 in (null):P-9999 (18) other bump:2.91043 Ang CE2(126) at 56.9324 59.5567 54.4065 in (null):F-9999 (16) and N(137) at 54.841 61.481 55.034 in (null):P-9999 (18) other bump:1.5476 Ang CE2(30) at 59.5104 48.2453 74.2301 in (null):F-9999 (4) and NZ(72) at 60.0491 46.9949 73.4944 in (null):K-9999 (9) other bump:2.53666 Ang CZ(31) at 58.1712 48.5957 74.0823 in (null):F-9999 (4) and NZ(72) at 60.0491 46.9949 73.4944 in (null):K-9999 (9) other bump:2.31657 Ang CD2(28) at 60.5107 49.2061 74.0083 in (null):F-9999 (4) and NZ(72) at 60.0491 46.9949 73.4944 in (null):K-9999 (9) other bump:2.46347 Ang CE2(30) at 59.5104 48.2453 74.2301 in (null):F-9999 (4) and CE(71) at 60.0358 47.267 72.0312 in (null):K-9999 (9) other bump:2.80972 Ang CD2(28) at 60.5107 49.2061 74.0083 in (null):F-9999 (4) and CE(71) at 60.0358 47.267 72.0312 in (null):K-9999 (9) other bump:2.95356 Ang CD1(27) at 58.8449 50.8482 73.4977 in (null):F-9999 (4) and CD(70) at 59.1502 48.4932 71.7414 in (null):K-9999 (9) other bump:2.52689 Ang CE2(30) at 59.5104 48.2453 74.2301 in (null):F-9999 (4) and CD(70) at 59.1502 48.4932 71.7414 in (null):K-9999 (9) other bump:2.53944 Ang CZ(31) at 58.1712 48.5957 74.0823 in (null):F-9999 (4) and CD(70) at 59.1502 48.4932 71.7414 in (null):K-9999 (9) other bump:2.96179 Ang CG(26) at 60.1877 50.509 73.6473 in (null):F-9999 (4) and CD(70) at 59.1502 48.4932 71.7414 in (null):K-9999 (9) other bump:2.73825 Ang CD2(28) at 60.5107 49.2061 74.0083 in (null):F-9999 (4) and CD(70) at 59.1502 48.4932 71.7414 in (null):K-9999 (9) Number of specific fragments= 13 total=433 Number of alignments=35 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1pymA/T0147_twice-1pymA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1pymA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1pymA/T0147_twice-1pymA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1pymA in template set T0147_twice 18 :STLSDYIAQAKQKGIKLF 1pymA 6 :KKTTQLKQMLNSKDLEFI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.47349 Ang CA(63) at 20.869 68.953 56.262 in (null):Q-9999 (9) and NZ(121) at 21.921 68.4708 57.1741 in (null):K-9999 (16) other bump:0.555717 Ang CB(64) at 22.2358 68.7967 56.8524 in (null):Q-9999 (9) and NZ(121) at 21.921 68.4708 57.1741 in (null):K-9999 (16) other bump:2.11699 Ang C(70) at 19.901 69.044 57.444 in (null):Q-9999 (9) and NZ(121) at 21.921 68.4708 57.1741 in (null):K-9999 (16) other bump:1.88571 Ang CG(65) at 23.3099 68.3616 55.9033 in (null):Q-9999 (9) and NZ(121) at 21.921 68.4708 57.1741 in (null):K-9999 (16) other bump:2.7387 Ang CD(66) at 24.5793 68.0597 56.6597 in (null):Q-9999 (9) and NZ(121) at 21.921 68.4708 57.1741 in (null):K-9999 (16) other bump:2.78905 Ang CA(63) at 20.869 68.953 56.262 in (null):Q-9999 (9) and CE(120) at 22.9024 67.352 57.3017 in (null):K-9999 (16) other bump:1.65326 Ang CB(64) at 22.2358 68.7967 56.8524 in (null):Q-9999 (9) and CE(120) at 22.9024 67.352 57.3017 in (null):K-9999 (16) other bump:2.06443 Ang NE2(68) at 24.8407 66.7815 56.8784 in (null):Q-9999 (9) and CE(120) at 22.9024 67.352 57.3017 in (null):K-9999 (16) other bump:1.77224 Ang CG(65) at 23.3099 68.3616 55.9033 in (null):Q-9999 (9) and CE(120) at 22.9024 67.352 57.3017 in (null):K-9999 (16) other bump:1.93005 Ang CD(66) at 24.5793 68.0597 56.6597 in (null):Q-9999 (9) and CE(120) at 22.9024 67.352 57.3017 in (null):K-9999 (16) other bump:3.30715 Ang CA(63) at 20.869 68.953 56.262 in (null):Q-9999 (9) and CD(119) at 22.3135 66.0303 56.8171 in (null):K-9999 (16) other bump:2.76773 Ang CB(64) at 22.2358 68.7967 56.8524 in (null):Q-9999 (9) and CD(119) at 22.3135 66.0303 56.8171 in (null):K-9999 (16) other bump:2.69496 Ang CG(65) at 23.3099 68.3616 55.9033 in (null):Q-9999 (9) and CD(119) at 22.3135 66.0303 56.8171 in (null):K-9999 (16) other bump:3.04584 Ang CD(66) at 24.5793 68.0597 56.6597 in (null):Q-9999 (9) and CD(119) at 22.3135 66.0303 56.8171 in (null):K-9999 (16) T0147_twice 37 :ITD 1pymA 24 :MEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 44 :MEDAPHHW 1pymA 27 :HNGLSARI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.835 Ang CB(12) at 42.7658 70.5817 65.1237 in (null):E-9999 (2) and CD(36) at 42.5792 68.4353 63.2811 in (null):P-9999 (5) other bump:2.92935 Ang CB(12) at 42.7658 70.5817 65.1237 in (null):E-9999 (2) and CG(35) at 41.4264 68.1372 64.2231 in (null):P-9999 (5) T0147_twice 61 :RVVDGVGILRG 1pymA 35 :VQEAGFKGIWG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:3.10396 Ang CB(4) at 35.8358 65.1368 59.9017 in (null):R-9999 (1) and CD2(63) at 34.149 67.736 60.0847 in (null):L-9999 (9) other bump:3.20655 Ang CD(6) at 34.7843 65.4098 62.1982 in (null):R-9999 (1) and CD2(63) at 34.149 67.736 60.0847 in (null):L-9999 (9) other bump:2.61576 Ang CG1(42) at 30.6232 64.4056 58.7881 in (null):V-9999 (6) and O(56) at 30.486 66.86 59.682 in (null):I-9999 (8) other bump:1.79271 Ang O(11) at 35.116 63.697 57.031 in (null):R-9999 (1) and OD2(32) at 34.4881 62.0179 57.0425 in (null):D-9999 (4) other bump:2.87996 Ang C(12) at 35.99 64.433 57.496 in (null):R-9999 (1) and OD2(32) at 34.4881 62.0179 57.0425 in (null):D-9999 (4) T0147_twice 111 :ATNTQAMIATIASGNVHII 1pymA 65 :TQVVEVLEFMSDASDVPIL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.55582 Ang OD1(19) at 34.6709 78.8506 68.9832 in (null):N-9999 (3) and CE(48) at 34.1965 79.736 66.6331 in (null):M-9999 (7) other bump:3.12691 Ang OD1(19) at 34.6709 78.8506 68.9832 in (null):N-9999 (3) and SD(47) at 33.7675 78.0235 66.1062 in (null):M-9999 (7) T0147_twice 155 :LEINNSS 1pymA 84 :LDADTGY Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 1.44028 Ang O(41) at 24.787 82.365 74.799 in (null):N-9999 (5) and OG(46) at 24.8929 83.7503 74.4194 in (null):S-9999 (6) neighbor-bump: 2.34651 Ang C(42) at 25.674 81.55 74.653 in (null):N-9999 (5) and OG(46) at 24.8929 83.7503 74.4194 in (null):S-9999 (6) neighbor-bump: 2.11517 Ang O(41) at 24.787 82.365 74.799 in (null):N-9999 (5) and CB(45) at 25.2667 83.4961 73.0773 in (null):S-9999 (6) neighbor-bump: 2.53699 Ang C(42) at 25.674 81.55 74.653 in (null):N-9999 (5) and CB(45) at 25.2667 83.4961 73.0773 in (null):S-9999 (6) other bump:2.84358 Ang CD2(7) at 31.354 79.069 67.305 in (null):L-9999 (1) and CG2(23) at 28.7144 79.3509 68.3244 in (null):I-9999 (3) T0147_twice 168 :GSEDNCREVAAAVRDAGGWVALGSD 1pymA 91 :GNFNNARRLVRKLEDRGVAGACLED Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues T0147_twice 193 :SHTAFTMGEFEECLKILDAVDFPPE 1pymA 129 :AQPLADIEEFALKIKACKDSQTDPD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues self-bump: 1.31986 Ang CA(166) at 23.726 88.741 56.301 in (null):F-9999 (22) and CB(167) at 24.7615 89.3679 55.7748 in (null):F-9999 (22) other bump:2.14196 Ang O(127) at 20.347 88.888 65.613 in (null):I-9999 (16) and CG2(154) at 21.483 90.6145 65.0505 in (null):V-9999 (20) other bump:2.55874 Ang O(127) at 20.347 88.888 65.613 in (null):I-9999 (16) and CB(152) at 22.1398 89.7204 63.9882 in (null):V-9999 (20) other bump:3.1206 Ang CZ(38) at 18.3209 79.0717 76.4409 in (null):F-9999 (5) and CE2(76) at 18.926 79.692 73.443 in (null):F-9999 (10) other bump:2.89501 Ang CE2(37) at 19.5554 78.991 76.9916 in (null):F-9999 (5) and CE1(75) at 20.636 80.563 74.814 in (null):F-9999 (10) other bump:2.64311 Ang CZ(38) at 18.3209 79.0717 76.4409 in (null):F-9999 (5) and CD2(74) at 17.964 80.39 74.178 in (null):F-9999 (10) other bump:2.73399 Ang CZ(38) at 18.3209 79.0717 76.4409 in (null):F-9999 (5) and CD1(73) at 19.687 81.27 75.56 in (null):F-9999 (10) other bump:2.6946 Ang CE2(37) at 19.5554 78.991 76.9916 in (null):F-9999 (5) and CD1(73) at 19.687 81.27 75.56 in (null):F-9999 (10) other bump:2.87005 Ang CD2(35) at 19.9356 79.8337 78.0323 in (null):F-9999 (5) and CD1(73) at 19.687 81.27 75.56 in (null):F-9999 (10) other bump:2.25883 Ang CE1(36) at 17.4148 79.9968 76.9316 in (null):F-9999 (5) and CG(72) at 18.33 81.194 75.249 in (null):F-9999 (10) other bump:2.32789 Ang CD1(34) at 17.7787 80.8326 77.9723 in (null):F-9999 (5) and CB(71) at 17.296 82.01 76.023 in (null):F-9999 (10) other bump:2.21199 Ang CE1(36) at 17.4148 79.9968 76.9316 in (null):F-9999 (5) and CB(71) at 17.296 82.01 76.023 in (null):F-9999 (10) other bump:2.77144 Ang OG1(45) at 15.5484 85.4487 80.9688 in (null):T-9999 (6) and CB(62) at 16.483 86.456 78.562 in (null):E-9999 (9) other bump:2.34419 Ang O(0) at 24.939 70.981 88.448 in (null):G-9999 (0) and CE1(14) at 25.1214 70.2028 86.2443 in (null):H-9999 (2) other bump:3.05125 Ang C(1) at 25.998 71.453 88.886 in (null):G-9999 (0) and CE1(14) at 25.1214 70.2028 86.2443 in (null):H-9999 (2) other bump:2.49004 Ang O(0) at 24.939 70.981 88.448 in (null):G-9999 (0) and ND1(13) at 24.0887 71.0184 86.108 in (null):H-9999 (2) T0147_twice 311 :VGILRGIEANIKN 1pymA 154 :FCIVARVEAFIAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0147_twice 356 :ATNTQAM 1pymA 167 :WGLDEAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0147_twice 363 :IATIASGNVHIISHPGNPK 1pymA 177 :EAYRNAGADAILMHSKKAD Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.10301 Ang OD1(118) at 18.6737 59.4672 78.965 in (null):N-9999 (17) and O(135) at 18.897 58.087 77.394 in (null):K-9999 (19) neighbor-bump: 2.37728 Ang O(100) at 18.407 66.711 76.942 in (null):H-9999 (14) and CD(106) at 19.4729 65.1287 75.5237 in (null):P-9999 (15) neighbor-bump: 1.64173 Ang C(101) at 19.472 66.522 76.392 in (null):H-9999 (14) and CD(106) at 19.4729 65.1287 75.5237 in (null):P-9999 (15) neighbor-bump: 2.3244 Ang CA(93) at 19.939 67.385 75.216 in (null):H-9999 (14) and CD(106) at 19.4729 65.1287 75.5237 in (null):P-9999 (15) other bump:3.05912 Ang CG1(25) at 11.73 75.183 67.612 in (null):I-9999 (4) and CG1(73) at 13.968 73.464 68.793 in (null):I-9999 (11) other bump:2.24398 Ang OD1(50) at 16.7799 75.8153 66.4193 in (null):N-9999 (8) and C(69) at 16.719 73.584 66.189 in (null):H-9999 (10) other bump:2.36371 Ang CG(48) at 16.9329 76.9878 66.8506 in (null):N-9999 (8) and O(68) at 17.18 74.645 66.657 in (null):H-9999 (10) other bump:1.25944 Ang OD1(50) at 16.7799 75.8153 66.4193 in (null):N-9999 (8) and O(68) at 17.18 74.645 66.657 in (null):H-9999 (10) T0147_twice 383 :EIDVKAVAEAAAKHQVALEINNSSFLHS 1pymA 196 :PSDIEAFMKAWNNQGPVVIVPTKYYKTP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.04273 Ang O(175) at 22.576 55.948 73.348 in (null):S-9999 (24) and CE1(202) at 21.7062 57.1829 71.9728 in (null):H-9999 (27) other bump:2.94293 Ang C(176) at 23.419 56.258 74.18 in (null):S-9999 (24) and CE1(202) at 21.7062 57.1829 71.9728 in (null):H-9999 (27) other bump:1.5333 Ang O(175) at 22.576 55.948 73.348 in (null):S-9999 (24) and ND1(201) at 21.425 55.9435 72.3349 in (null):H-9999 (27) other bump:2.73478 Ang C(176) at 23.419 56.258 74.18 in (null):S-9999 (24) and ND1(201) at 21.425 55.9435 72.3349 in (null):H-9999 (27) other bump:2.26851 Ang O(77) at 5.942 69.025 68.246 in (null):A-9999 (11) and CD2(97) at 4.84274 70.8175 67.3947 in (null):H-9999 (14) T0147_twice 422 :AAAVRDAGGWVAL 1pymA 224 :TDHFRDMGVSMVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0147_twice 440 :TAFTMGEFEECLKILDAVDFPPERILNVSPRRLLNFLESRGMA 1pymA 252 :TTKQIYDDQSLVNVEDKIVSVKEIFRLQRDDELVQAEDKYLPK Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:1.72061 Ang O(200) at 50.771 67.365 52.663 in (null):I-9999 (25) and CD(235) at 50.4216 68.7708 51.7345 in (null):P-9999 (30) other bump:2.91914 Ang C(201) at 51.226 66.334 53.126 in (null):I-9999 (25) and CD(235) at 50.4216 68.7708 51.7345 in (null):P-9999 (30) other bump:2.84971 Ang C(224) at 48.513 70.26 53.238 in (null):V-9999 (28) and CD(235) at 50.4216 68.7708 51.7345 in (null):P-9999 (30) neighbor-bump: 2.3358 Ang N(225) at 48.227 69.372 52.262 in (null):S-9999 (29) and CD(235) at 50.4216 68.7708 51.7345 in (null):P-9999 (30) self-bump: 1.37563 Ang N(231) at 50.536 69.743 50.768 in (null):P-9999 (30) and CD(235) at 50.4216 68.7708 51.7345 in (null):P-9999 (30) other bump:1.76715 Ang O(200) at 50.771 67.365 52.663 in (null):I-9999 (25) and CG(234) at 51.8245 68.7396 52.3118 in (null):P-9999 (30) other bump:2.60926 Ang C(201) at 51.226 66.334 53.126 in (null):I-9999 (25) and CG(234) at 51.8245 68.7396 52.3118 in (null):P-9999 (30) other bump:2.97512 Ang CA(195) at 52.439 66.395 54.037 in (null):I-9999 (25) and CG(234) at 51.8245 68.7396 52.3118 in (null):P-9999 (30) other bump:2.76887 Ang CG2(198) at 53.9032 66.9307 52.0414 in (null):I-9999 (25) and CG(234) at 51.8245 68.7396 52.3118 in (null):P-9999 (30) other bump:2.6174 Ang CG2(198) at 53.9032 66.9307 52.0414 in (null):I-9999 (25) and CB(233) at 52.7062 69.081 51.1505 in (null):P-9999 (30) other bump:2.66585 Ang CE2(156) at 56.9324 59.5567 54.4065 in (null):F-9999 (20) and CG(170) at 56.144 61.021 52.323 in (null):P-9999 (22) other bump:2.84618 Ang CD2(154) at 55.6428 59.3026 54.8414 in (null):F-9999 (20) and CB(169) at 54.657 60.852 52.667 in (null):P-9999 (22) other bump:3.08786 Ang CD2(154) at 55.6428 59.3026 54.8414 in (null):F-9999 (20) and CA(168) at 54.207 61.812 53.757 in (null):P-9999 (22) other bump:2.32929 Ang CD2(154) at 55.6428 59.3026 54.8414 in (null):F-9999 (20) and N(167) at 54.841 61.481 55.034 in (null):P-9999 (22) other bump:2.91043 Ang CE2(156) at 56.9324 59.5567 54.4065 in (null):F-9999 (20) and N(167) at 54.841 61.481 55.034 in (null):P-9999 (22) other bump:1.5476 Ang CE2(60) at 59.5104 48.2453 74.2301 in (null):F-9999 (8) and NZ(102) at 60.0491 46.9949 73.4944 in (null):K-9999 (13) other bump:2.53666 Ang CZ(61) at 58.1712 48.5957 74.0823 in (null):F-9999 (8) and NZ(102) at 60.0491 46.9949 73.4944 in (null):K-9999 (13) other bump:2.31657 Ang CD2(58) at 60.5107 49.2061 74.0083 in (null):F-9999 (8) and NZ(102) at 60.0491 46.9949 73.4944 in (null):K-9999 (13) other bump:2.46347 Ang CE2(60) at 59.5104 48.2453 74.2301 in (null):F-9999 (8) and CE(101) at 60.0358 47.267 72.0312 in (null):K-9999 (13) other bump:2.80972 Ang CD2(58) at 60.5107 49.2061 74.0083 in (null):F-9999 (8) and CE(101) at 60.0358 47.267 72.0312 in (null):K-9999 (13) other bump:2.95356 Ang CD1(57) at 58.8449 50.8482 73.4977 in (null):F-9999 (8) and CD(100) at 59.1502 48.4932 71.7414 in (null):K-9999 (13) other bump:2.52689 Ang CE2(60) at 59.5104 48.2453 74.2301 in (null):F-9999 (8) and CD(100) at 59.1502 48.4932 71.7414 in (null):K-9999 (13) other bump:2.53944 Ang CZ(61) at 58.1712 48.5957 74.0823 in (null):F-9999 (8) and CD(100) at 59.1502 48.4932 71.7414 in (null):K-9999 (13) other bump:2.96179 Ang CG(56) at 60.1877 50.509 73.6473 in (null):F-9999 (8) and CD(100) at 59.1502 48.4932 71.7414 in (null):K-9999 (13) other bump:2.73825 Ang CD2(58) at 60.5107 49.2061 74.0083 in (null):F-9999 (8) and CD(100) at 59.1502 48.4932 71.7414 in (null):K-9999 (13) other bump:2.5561 Ang CG(17) at 53.6181 54.2431 78.6613 in (null):F-9999 (3) and OE2(50) at 55.1964 52.2364 78.536 in (null):E-9999 (7) other bump:2.86728 Ang CD1(18) at 54.2947 54.6474 79.7989 in (null):F-9999 (3) and OE2(50) at 55.1964 52.2364 78.536 in (null):E-9999 (7) other bump:1.99362 Ang CD2(19) at 53.3199 52.9071 78.4748 in (null):F-9999 (3) and OE2(50) at 55.1964 52.2364 78.536 in (null):E-9999 (7) other bump:1.80244 Ang CE2(21) at 53.6534 51.9897 79.4344 in (null):F-9999 (3) and OE2(50) at 55.1964 52.2364 78.536 in (null):E-9999 (7) other bump:2.22512 Ang CZ(22) at 54.3158 52.4063 80.5724 in (null):F-9999 (3) and OE2(50) at 55.1964 52.2364 78.536 in (null):E-9999 (7) other bump:2.72466 Ang CE2(21) at 53.6534 51.9897 79.4344 in (null):F-9999 (3) and CD(48) at 56.3045 51.7114 78.8707 in (null):E-9999 (7) other bump:2.70805 Ang CZ(22) at 54.3158 52.4063 80.5724 in (null):F-9999 (3) and CD(48) at 56.3045 51.7114 78.8707 in (null):E-9999 (7) Number of specific fragments= 14 total=447 Number of alignments=36 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1fwcC/T0147_twice-1fwcC-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1fwcC read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1fwcC/T0147_twice-1fwcC-2track-protein-STR-local-adpstyle1.pw.a2m.gz # adding 1fwcC to template set 1fwcC:# found chain 1fwcC in template set T0147_twice 100 :FHEP 1fwcC 135 :IHWI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:1.58406 Ang O(21) at 71.955 97.305 73.865 in (null):H-9999 (2) and CD(36) at 73.5058 97.2608 73.5449 in (null):P-9999 (4) other bump:2.41309 Ang C(22) at 71.179 97.347 72.911 in (null):H-9999 (2) and CD(36) at 73.5058 97.2608 73.5449 in (null):P-9999 (4) T0147_twice 113 :NTQAMIATIASGNVHIISHPGNPK 1fwcC 139 :CPQQAEEALVSGVTTMVGGGTGPA Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.66511 Ang OD1(155) at 76.8174 93.6911 65.644 in (null):N-9999 (22) and CE(170) at 77.3626 93.9542 63.0485 in (null):K-9999 (24) other bump:2.99393 Ang CG(153) at 77.6021 93.9758 66.5577 in (null):N-9999 (22) and CG(168) at 77.8798 96.0491 64.4157 in (null):K-9999 (24) other bump:2.43558 Ang ND2(154) at 78.5711 94.863 66.4276 in (null):N-9999 (22) and CG(168) at 77.8798 96.0491 64.4157 in (null):K-9999 (24) neighbor-bump: 2.73271 Ang CB(152) at 77.445 93.289 67.9021 in (null):N-9999 (22) and CD(162) at 79.216 94.498 69.596 in (null):P-9999 (23) neighbor-bump: 2.26625 Ang O(148) at 75.675 92.25 66.941 in (null):G-9999 (21) and CB(152) at 77.445 93.289 67.9021 in (null):N-9999 (22) neighbor-bump: 2.65152 Ang C(149) at 74.872 93.124 67.283 in (null):G-9999 (21) and CB(152) at 77.445 93.289 67.9021 in (null):N-9999 (22) neighbor-bump: 1.82836 Ang CA(130) at 67.262 95.877 69.079 in (null):H-9999 (19) and CD(143) at 68.9439 95.3107 69.5189 in (null):P-9999 (20) neighbor-bump: 2.61143 Ang N(129) at 66.687 96.352 70.32 in (null):H-9999 (19) and CD(143) at 68.9439 95.3107 69.5189 in (null):P-9999 (20) neighbor-bump: 1.69412 Ang O(137) at 69.277 96.953 69.768 in (null):H-9999 (19) and CD(143) at 68.9439 95.3107 69.5189 in (null):P-9999 (20) neighbor-bump: 0.978994 Ang C(138) at 68.754 96.132 69.021 in (null):H-9999 (19) and CD(143) at 68.9439 95.3107 69.5189 in (null):P-9999 (20) neighbor-bump: 2.32221 Ang O(137) at 69.277 96.953 69.768 in (null):H-9999 (19) and CG(142) at 70.2 94.8743 70.2365 in (null):P-9999 (20) neighbor-bump: 2.26946 Ang C(138) at 68.754 96.132 69.021 in (null):H-9999 (19) and CG(142) at 70.2 94.8743 70.2365 in (null):P-9999 (20) neighbor-bump: 2.60818 Ang C(138) at 68.754 96.132 69.021 in (null):H-9999 (19) and CB(141) at 71.2659 95.6694 69.549 in (null):P-9999 (20) other bump:2.01567 Ang CG2(55) at 67.4692 94.2963 82.8687 in (null):T-9999 (8) and ND2(86) at 65.6916 94.748 82.0325 in (null):N-9999 (13) other bump:2.575 Ang CG2(55) at 67.4692 94.2963 82.8687 in (null):T-9999 (8) and CG(85) at 64.8976 94.1872 82.9453 in (null):N-9999 (13) other bump:2.60692 Ang CG2(55) at 67.4692 94.2963 82.8687 in (null):T-9999 (8) and CB(84) at 65.365 94.2566 84.4072 in (null):N-9999 (13) other bump:1.99872 Ang CG(5) at 78.8777 93.0202 75.5803 in (null):N-9999 (1) and OE1(22) at 78.976 91.567 76.949 in (null):Q-9999 (3) other bump:0.866524 Ang OD1(7) at 78.6424 92.1974 76.457 in (null):N-9999 (1) and OE1(22) at 78.976 91.567 76.949 in (null):Q-9999 (3) other bump:2.09415 Ang OD1(7) at 78.6424 92.1974 76.457 in (null):N-9999 (1) and CD(21) at 79.455 90.77 77.756 in (null):Q-9999 (3) T0147_twice 137 :YEIDVKAVAEAAAKHQVALEINNSS 1fwcC 173 :GPWYISRMLQAADSLPVNIGLLGKG Fragment has 45 clashes (null) has 45 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 3.21982 Ang CE2(9) at 65.7747 88.9231 56.0708 in (null):Y-9999 (1) and C(22) at 67.237 88.142 58.831 in (null):E-9999 (2) neighbor-bump: 1.8806 Ang CD1(6) at 64.1406 90.9493 57.0429 in (null):Y-9999 (1) and OE2(20) at 63.0314 90.5528 55.5769 in (null):E-9999 (2) neighbor-bump: 1.57975 Ang CE1(8) at 63.6132 89.7028 56.7747 in (null):Y-9999 (1) and OE2(20) at 63.0314 90.5528 55.5769 in (null):E-9999 (2) neighbor-bump: 2.42985 Ang CZ(10) at 64.4444 88.7087 56.2889 in (null):Y-9999 (1) and OE2(20) at 63.0314 90.5528 55.5769 in (null):E-9999 (2) neighbor-bump: 2.00647 Ang CD1(6) at 64.1406 90.9493 57.0429 in (null):Y-9999 (1) and OE1(19) at 65.2095 90.3919 55.4389 in (null):E-9999 (2) neighbor-bump: 1.42065 Ang CD2(7) at 66.2884 90.1736 56.337 in (null):Y-9999 (1) and OE1(19) at 65.2095 90.3919 55.4389 in (null):E-9999 (2) neighbor-bump: 2.19258 Ang CE1(8) at 63.6132 89.7028 56.7747 in (null):Y-9999 (1) and OE1(19) at 65.2095 90.3919 55.4389 in (null):E-9999 (2) neighbor-bump: 1.69592 Ang CE2(9) at 65.7747 88.9231 56.0708 in (null):Y-9999 (1) and OE1(19) at 65.2095 90.3919 55.4389 in (null):E-9999 (2) neighbor-bump: 2.03502 Ang CZ(10) at 64.4444 88.7087 56.2889 in (null):Y-9999 (1) and OE1(19) at 65.2095 90.3919 55.4389 in (null):E-9999 (2) neighbor-bump: 1.62782 Ang CG(5) at 65.4795 91.1922 56.8304 in (null):Y-9999 (1) and OE1(19) at 65.2095 90.3919 55.4389 in (null):E-9999 (2) neighbor-bump: 1.56857 Ang CD1(6) at 64.1406 90.9493 57.0429 in (null):Y-9999 (1) and CD(18) at 64.1016 89.9627 55.8241 in (null):E-9999 (2) neighbor-bump: 2.25605 Ang CD2(7) at 66.2884 90.1736 56.337 in (null):Y-9999 (1) and CD(18) at 64.1016 89.9627 55.8241 in (null):E-9999 (2) neighbor-bump: 1.09988 Ang CE1(8) at 63.6132 89.7028 56.7747 in (null):Y-9999 (1) and CD(18) at 64.1016 89.9627 55.8241 in (null):E-9999 (2) neighbor-bump: 1.98518 Ang CE2(9) at 65.7747 88.9231 56.0708 in (null):Y-9999 (1) and CD(18) at 64.1016 89.9627 55.8241 in (null):E-9999 (2) neighbor-bump: 1.3806 Ang CZ(10) at 64.4444 88.7087 56.2889 in (null):Y-9999 (1) and CD(18) at 64.1016 89.9627 55.8241 in (null):E-9999 (2) neighbor-bump: 2.50579 Ang OH(11) at 63.9263 87.4668 55.9619 in (null):Y-9999 (1) and CD(18) at 64.1016 89.9627 55.8241 in (null):E-9999 (2) neighbor-bump: 2.10316 Ang CG(5) at 65.4795 91.1922 56.8304 in (null):Y-9999 (1) and CD(18) at 64.1016 89.9627 55.8241 in (null):E-9999 (2) neighbor-bump: 2.31421 Ang CD1(6) at 64.1406 90.9493 57.0429 in (null):Y-9999 (1) and CG(17) at 64.0595 88.675 56.6225 in (null):E-9999 (2) neighbor-bump: 2.70102 Ang CD2(7) at 66.2884 90.1736 56.337 in (null):Y-9999 (1) and CG(17) at 64.0595 88.675 56.6225 in (null):E-9999 (2) neighbor-bump: 1.13084 Ang CE1(8) at 63.6132 89.7028 56.7747 in (null):Y-9999 (1) and CG(17) at 64.0595 88.675 56.6225 in (null):E-9999 (2) neighbor-bump: 1.81884 Ang CE2(9) at 65.7747 88.9231 56.0708 in (null):Y-9999 (1) and CG(17) at 64.0595 88.675 56.6225 in (null):E-9999 (2) neighbor-bump: 0.510479 Ang CZ(10) at 64.4444 88.7087 56.2889 in (null):Y-9999 (1) and CG(17) at 64.0595 88.675 56.6225 in (null):E-9999 (2) neighbor-bump: 1.38342 Ang OH(11) at 63.9263 87.4668 55.9619 in (null):Y-9999 (1) and CG(17) at 64.0595 88.675 56.6225 in (null):E-9999 (2) neighbor-bump: 2.89762 Ang CG(5) at 65.4795 91.1922 56.8304 in (null):Y-9999 (1) and CG(17) at 64.0595 88.675 56.6225 in (null):E-9999 (2) neighbor-bump: 3.03865 Ang CD1(6) at 64.1406 90.9493 57.0429 in (null):Y-9999 (1) and CB(16) at 65.4514 88.208 57.0633 in (null):E-9999 (2) neighbor-bump: 2.25649 Ang CD2(7) at 66.2884 90.1736 56.337 in (null):Y-9999 (1) and CB(16) at 65.4514 88.208 57.0633 in (null):E-9999 (2) neighbor-bump: 2.38687 Ang CE1(8) at 63.6132 89.7028 56.7747 in (null):Y-9999 (1) and CB(16) at 65.4514 88.208 57.0633 in (null):E-9999 (2) neighbor-bump: 1.26531 Ang CE2(9) at 65.7747 88.9231 56.0708 in (null):Y-9999 (1) and CB(16) at 65.4514 88.208 57.0633 in (null):E-9999 (2) neighbor-bump: 1.36547 Ang CZ(10) at 64.4444 88.7087 56.2889 in (null):Y-9999 (1) and CB(16) at 65.4514 88.208 57.0633 in (null):E-9999 (2) neighbor-bump: 2.02194 Ang OH(11) at 63.9263 87.4668 55.9619 in (null):Y-9999 (1) and CB(16) at 65.4514 88.208 57.0633 in (null):E-9999 (2) neighbor-bump: 2.99347 Ang CG(5) at 65.4795 91.1922 56.8304 in (null):Y-9999 (1) and CB(16) at 65.4514 88.208 57.0633 in (null):E-9999 (2) neighbor-bump: 3.05348 Ang CD1(6) at 64.1406 90.9493 57.0429 in (null):Y-9999 (1) and CA(15) at 66.003 88.904 58.336 in (null):E-9999 (2) neighbor-bump: 2.38527 Ang CD2(7) at 66.2884 90.1736 56.337 in (null):Y-9999 (1) and CA(15) at 66.003 88.904 58.336 in (null):E-9999 (2) neighbor-bump: 2.9643 Ang CE1(8) at 63.6132 89.7028 56.7747 in (null):Y-9999 (1) and CA(15) at 66.003 88.904 58.336 in (null):E-9999 (2) neighbor-bump: 2.27679 Ang CE2(9) at 65.7747 88.9231 56.0708 in (null):Y-9999 (1) and CA(15) at 66.003 88.904 58.336 in (null):E-9999 (2) neighbor-bump: 2.58033 Ang CZ(10) at 64.4444 88.7087 56.2889 in (null):Y-9999 (1) and CA(15) at 66.003 88.904 58.336 in (null):E-9999 (2) neighbor-bump: 2.78869 Ang CG(5) at 65.4795 91.1922 56.8304 in (null):Y-9999 (1) and CA(15) at 66.003 88.904 58.336 in (null):E-9999 (2) neighbor-bump: 2.38712 Ang CD1(6) at 64.1406 90.9493 57.0429 in (null):Y-9999 (1) and N(14) at 66.193 90.337 58.097 in (null):E-9999 (2) neighbor-bump: 1.77017 Ang CD2(7) at 66.2884 90.1736 56.337 in (null):Y-9999 (1) and N(14) at 66.193 90.337 58.097 in (null):E-9999 (2) neighbor-bump: 2.50591 Ang CE2(9) at 65.7747 88.9231 56.0708 in (null):Y-9999 (1) and N(14) at 66.193 90.337 58.097 in (null):E-9999 (2) neighbor-bump: 2.9964 Ang CZ(10) at 64.4444 88.7087 56.2889 in (null):Y-9999 (1) and N(14) at 66.193 90.337 58.097 in (null):E-9999 (2) neighbor-bump: 2.38548 Ang CB(4) at 66.0939 92.5428 57.1942 in (null):Y-9999 (1) and N(14) at 66.193 90.337 58.097 in (null):E-9999 (2) neighbor-bump: 1.68662 Ang CG(5) at 65.4795 91.1922 56.8304 in (null):Y-9999 (1) and N(14) at 66.193 90.337 58.097 in (null):E-9999 (2) self-bump: 2.43993 Ang CG(5) at 65.4795 91.1922 56.8304 in (null):Y-9999 (1) and C(13) at 66.743 91.248 58.917 in (null):Y-9999 (1) self-bump: 1.39535 Ang CA(3) at 66.796 92.663 58.394 in (null):Y-9999 (1) and CB(4) at 66.0939 92.5428 57.1942 in (null):Y-9999 (1) T0147_twice 245 :LMYP 1fwcC 198 :NVSQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 386 :VKAVAEAAAKHQVA 1fwcC 202 :PDALREQVAAGVIG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:3.16623 Ang CG(81) at 60.4018 93.8765 65.0121 in (null):Q-9999 (12) and C(98) at 59.045 96.596 65.9 in (null):A-9999 (14) other bump:2.95595 Ang CD(82) at 61.1578 95.0849 64.4893 in (null):Q-9999 (12) and C(98) at 59.045 96.596 65.9 in (null):A-9999 (14) other bump:2.14108 Ang CG(81) at 60.4018 93.8765 65.0121 in (null):Q-9999 (12) and O(97) at 59.98 95.929 65.452 in (null):A-9999 (14) other bump:1.73972 Ang CD(82) at 61.1578 95.0849 64.4893 in (null):Q-9999 (12) and O(97) at 59.98 95.929 65.452 in (null):A-9999 (14) other bump:2.99065 Ang CG(81) at 60.4018 93.8765 65.0121 in (null):Q-9999 (12) and N(94) at 58.264 94.556 66.99 in (null):A-9999 (14) neighbor-bump: 2.39434 Ang C(67) at 61.323 87.066 61.86 in (null):K-9999 (10) and CD2(72) at 61.9175 84.8571 62.5673 in (null):H-9999 (11) neighbor-bump: 1.40891 Ang O(66) at 62.079 86.244 62.379 in (null):K-9999 (10) and CD2(72) at 61.9175 84.8571 62.5673 in (null):H-9999 (11) neighbor-bump: 2.5574 Ang C(67) at 61.323 87.066 61.86 in (null):K-9999 (10) and CG(71) at 61.9977 85.4935 63.7606 in (null):H-9999 (11) neighbor-bump: 1.57438 Ang O(66) at 62.079 86.244 62.379 in (null):K-9999 (10) and CG(71) at 61.9977 85.4935 63.7606 in (null):H-9999 (11) neighbor-bump: 2.35928 Ang C(67) at 61.323 87.066 61.86 in (null):K-9999 (10) and CB(70) at 62.0536 86.9744 64.1014 in (null):H-9999 (11) neighbor-bump: 1.87107 Ang O(66) at 62.079 86.244 62.379 in (null):K-9999 (10) and CB(70) at 62.0536 86.9744 64.1014 in (null):H-9999 (11) T0147_twice 403 :N 1fwcC 219 :H Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 409 :HSRKGSEDNCREVAAAVRDAGGWVALGSDS 1fwcC 220 :EDWGATPAAIDCALTVADEMDIQVALHSDT Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.22269 Ang CZ3(170) at 58.5102 100.649 70.6039 in (null):W-9999 (23) and CB(183) at 59.822 102.23 69.755 in (null):A-9999 (25) other bump:2.30718 Ang CH2(171) at 58.2016 101.805 71.3414 in (null):W-9999 (23) and CB(183) at 59.822 102.23 69.755 in (null):A-9999 (25) other bump:2.84555 Ang CZ3(170) at 58.5102 100.649 70.6039 in (null):W-9999 (23) and CA(182) at 58.736 103.021 69.048 in (null):A-9999 (25) other bump:2.65036 Ang CH2(171) at 58.2016 101.805 71.3414 in (null):W-9999 (23) and CA(182) at 58.736 103.021 69.048 in (null):A-9999 (25) other bump:3.02238 Ang CZ3(170) at 58.5102 100.649 70.6039 in (null):W-9999 (23) and N(181) at 58.073 102.197 68.045 in (null):A-9999 (25) other bump:3.32218 Ang CH2(171) at 58.2016 101.805 71.3414 in (null):W-9999 (23) and N(181) at 58.073 102.197 68.045 in (null):A-9999 (25) neighbor-bump: 3.31087 Ang CE3(167) at 57.5193 99.7359 70.2498 in (null):W-9999 (23) and C(180) at 56.754 102.05 68.009 in (null):V-9999 (24) neighbor-bump: 2.84605 Ang CE2(166) at 55.9206 101.168 71.3691 in (null):W-9999 (23) and O(179) at 56 102.52 68.866 in (null):V-9999 (24) other bump:2.25815 Ang CG1(124) at 52.0916 98.8452 64.7737 in (null):V-9999 (17) and O(158) at 52.455 97.293 66.373 in (null):G-9999 (22) other bump:2.18475 Ang O(119) at 51.659 96.351 60.216 in (null):A-9999 (16) and OD1(143) at 50.5323 95.466 58.5666 in (null):D-9999 (19) Number of specific fragments= 7 total=454 Number of alignments=37 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1fwcC/T0147_twice-1fwcC-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1fwcC read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1fwcC/T0147_twice-1fwcC-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1fwcC in template set T0147_twice 111 :ATNTQAMIATIASGNVHI 1fwcC 174 :PWYISRMLQAADSLPVNI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0147_twice 130 :SHPGNPK 1fwcC 192 :GLLGKGN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues self-bump: 1.37285 Ang N(37) at 62.548 100.373 61.398 in (null):P-9999 (6) and CD(41) at 62.7337 100.429 62.7571 in (null):P-9999 (6) self-bump: 2.21984 Ang N(37) at 62.548 100.373 61.398 in (null):P-9999 (6) and CG(40) at 61.307 100.52 63.2326 in (null):P-9999 (6) T0147_twice 141 :VKAVAEAAAKHQVA 1fwcC 202 :PDALREQVAAGVIG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:3.16623 Ang CG(81) at 60.4018 93.8765 65.0121 in (null):Q-9999 (12) and C(98) at 59.045 96.596 65.9 in (null):A-9999 (14) other bump:2.95595 Ang CD(82) at 61.1578 95.0849 64.4893 in (null):Q-9999 (12) and C(98) at 59.045 96.596 65.9 in (null):A-9999 (14) other bump:2.14108 Ang CG(81) at 60.4018 93.8765 65.0121 in (null):Q-9999 (12) and O(97) at 59.98 95.929 65.452 in (null):A-9999 (14) other bump:1.73972 Ang CD(82) at 61.1578 95.0849 64.4893 in (null):Q-9999 (12) and O(97) at 59.98 95.929 65.452 in (null):A-9999 (14) other bump:2.99065 Ang CG(81) at 60.4018 93.8765 65.0121 in (null):Q-9999 (12) and N(94) at 58.264 94.556 66.99 in (null):A-9999 (14) neighbor-bump: 2.39434 Ang C(67) at 61.323 87.066 61.86 in (null):K-9999 (10) and CD2(72) at 61.9175 84.8571 62.5673 in (null):H-9999 (11) neighbor-bump: 1.40891 Ang O(66) at 62.079 86.244 62.379 in (null):K-9999 (10) and CD2(72) at 61.9175 84.8571 62.5673 in (null):H-9999 (11) neighbor-bump: 2.5574 Ang C(67) at 61.323 87.066 61.86 in (null):K-9999 (10) and CG(71) at 61.9977 85.4935 63.7606 in (null):H-9999 (11) neighbor-bump: 1.57438 Ang O(66) at 62.079 86.244 62.379 in (null):K-9999 (10) and CG(71) at 61.9977 85.4935 63.7606 in (null):H-9999 (11) neighbor-bump: 2.35928 Ang C(67) at 61.323 87.066 61.86 in (null):K-9999 (10) and CB(70) at 62.0536 86.9744 64.1014 in (null):H-9999 (11) neighbor-bump: 1.87107 Ang O(66) at 62.079 86.244 62.379 in (null):K-9999 (10) and CB(70) at 62.0536 86.9744 64.1014 in (null):H-9999 (11) T0147_twice 158 :NNSS 1fwcC 219 :HEDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 167 :KGSEDNCREVAAAVRDAGGWVALGSDSHTAFTMG 1fwcC 223 :GATPAAIDCALTVADEMDIQVALHSDTLNESGFV Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.28438 Ang OE2(27) at 57.5046 115.92 58.9227 in (null):E-9999 (4) and CG2(227) at 57.6812 117.263 60.7623 in (null):T-9999 (32) other bump:2.92419 Ang OD2(182) at 63.022 115.984 60.808 in (null):D-9999 (26) and CD1(217) at 63.5535 115.334 58.0069 in (null):F-9999 (31) neighbor-bump: 2.30064 Ang C(200) at 65.467 119.622 63.207 in (null):H-9999 (28) and OG1(205) at 64.504 121.672 63.613 in (null):T-9999 (29) neighbor-bump: 1.79247 Ang O(199) at 65.694 120.712 62.677 in (null):H-9999 (28) and OG1(205) at 64.504 121.672 63.613 in (null):T-9999 (29) other bump:2.22269 Ang CZ3(143) at 58.5102 100.649 70.6039 in (null):W-9999 (20) and CB(156) at 59.822 102.23 69.755 in (null):A-9999 (22) other bump:2.30718 Ang CH2(144) at 58.2016 101.805 71.3414 in (null):W-9999 (20) and CB(156) at 59.822 102.23 69.755 in (null):A-9999 (22) other bump:2.84555 Ang CZ3(143) at 58.5102 100.649 70.6039 in (null):W-9999 (20) and CA(155) at 58.736 103.021 69.048 in (null):A-9999 (22) other bump:2.65036 Ang CH2(144) at 58.2016 101.805 71.3414 in (null):W-9999 (20) and CA(155) at 58.736 103.021 69.048 in (null):A-9999 (22) other bump:3.02238 Ang CZ3(143) at 58.5102 100.649 70.6039 in (null):W-9999 (20) and N(154) at 58.073 102.197 68.045 in (null):A-9999 (22) other bump:3.32218 Ang CH2(144) at 58.2016 101.805 71.3414 in (null):W-9999 (20) and N(154) at 58.073 102.197 68.045 in (null):A-9999 (22) neighbor-bump: 3.31087 Ang CE3(140) at 57.5193 99.7359 70.2498 in (null):W-9999 (20) and C(153) at 56.754 102.05 68.009 in (null):V-9999 (21) neighbor-bump: 2.84605 Ang CE2(139) at 55.9206 101.168 71.3691 in (null):W-9999 (20) and O(152) at 56 102.52 68.866 in (null):V-9999 (21) other bump:2.25815 Ang CG1(97) at 52.0916 98.8452 64.7737 in (null):V-9999 (14) and O(131) at 52.455 97.293 66.373 in (null):G-9999 (19) other bump:2.18475 Ang O(92) at 51.659 96.351 60.216 in (null):A-9999 (13) and OD1(116) at 50.5323 95.466 58.5666 in (null):D-9999 (16) T0147_twice 217 :ERILNVSPRRLLNFLESRG 1fwcC 257 :EDTLAAIGGRTIHTFHTEG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.63937 Ang CG(62) at 49.3493 109.108 61.388 in (null):P-9999 (8) and NH2(85) at 50.128 107.146 59.803 in (null):R-9999 (10) neighbor-bump: 2.30837 Ang O(57) at 49.177 108.315 63.015 in (null):S-9999 (7) and CD(63) at 50.0074 110.261 62.0912 in (null):P-9999 (8) self-bump: 1.30201 Ang N(59) at 48.965 110.554 62.814 in (null):P-9999 (8) and CD(63) at 50.0074 110.261 62.0912 in (null):P-9999 (8) other bump:2.09033 Ang O(51) at 51.126 109.787 60.39 in (null):V-9999 (6) and CD(63) at 50.0074 110.261 62.0912 in (null):P-9999 (8) neighbor-bump: 1.7135 Ang CA(54) at 51.175 109.64 63.181 in (null):S-9999 (7) and CD(63) at 50.0074 110.261 62.0912 in (null):P-9999 (8) neighbor-bump: 1.25372 Ang C(58) at 49.676 109.442 62.981 in (null):S-9999 (7) and CD(63) at 50.0074 110.261 62.0912 in (null):P-9999 (8) other bump:3.19347 Ang CA(47) at 51.998 112.032 60.331 in (null):V-9999 (6) and CD(63) at 50.0074 110.261 62.0912 in (null):P-9999 (8) other bump:1.92072 Ang C(52) at 51.534 110.756 61.036 in (null):V-9999 (6) and CD(63) at 50.0074 110.261 62.0912 in (null):P-9999 (8) neighbor-bump: 1.69101 Ang N(53) at 51.596 110.771 62.366 in (null):S-9999 (7) and CD(63) at 50.0074 110.261 62.0912 in (null):P-9999 (8) neighbor-bump: 1.81802 Ang O(57) at 49.177 108.315 63.015 in (null):S-9999 (7) and CG(62) at 49.3493 109.108 61.388 in (null):P-9999 (8) self-bump: 2.06721 Ang N(59) at 48.965 110.554 62.814 in (null):P-9999 (8) and CG(62) at 49.3493 109.108 61.388 in (null):P-9999 (8) other bump:2.14804 Ang O(51) at 51.126 109.787 60.39 in (null):V-9999 (6) and CG(62) at 49.3493 109.108 61.388 in (null):P-9999 (8) neighbor-bump: 2.61373 Ang CA(54) at 51.175 109.64 63.181 in (null):S-9999 (7) and CG(62) at 49.3493 109.108 61.388 in (null):P-9999 (8) neighbor-bump: 1.66022 Ang C(58) at 49.676 109.442 62.981 in (null):S-9999 (7) and CG(62) at 49.3493 109.108 61.388 in (null):P-9999 (8) other bump:2.75933 Ang C(52) at 51.534 110.756 61.036 in (null):V-9999 (6) and CG(62) at 49.3493 109.108 61.388 in (null):P-9999 (8) neighbor-bump: 2.9616 Ang N(53) at 51.596 110.771 62.366 in (null):S-9999 (7) and CG(62) at 49.3493 109.108 61.388 in (null):P-9999 (8) neighbor-bump: 2.52077 Ang C(58) at 49.676 109.442 62.981 in (null):S-9999 (7) and CB(61) at 47.9693 109.624 61.1348 in (null):P-9999 (8) T0147_twice 281 :AITDHGPDMEDAPHHWHFINMRIWPRVVDGVG 1fwcC 276 :AGGGHAPDIITACAHPNILPSSTNPTLPYTLN Fragment has 50 clashes (null) has 50 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.6974 Ang CB(228) at 64.535 110.957 86.7268 in (null):V-9999 (27) and CA(234) at 65.725 112.349 88.707 in (null):V-9999 (28) neighbor-bump: 2.34654 Ang CG1(229) at 64.2576 110.597 88.175 in (null):V-9999 (27) and CA(234) at 65.725 112.349 88.707 in (null):V-9999 (28) neighbor-bump: 2.90308 Ang CG2(230) at 63.9511 112.341 86.409 in (null):V-9999 (27) and CA(234) at 65.725 112.349 88.707 in (null):V-9999 (28) neighbor-bump: 2.36418 Ang CG1(229) at 64.2576 110.597 88.175 in (null):V-9999 (27) and N(233) at 66.521 111.129 88.603 in (null):V-9999 (28) self-bump: 2.43413 Ang CG1(229) at 64.2576 110.597 88.175 in (null):V-9999 (27) and C(232) at 66.59 110.32 87.536 in (null):V-9999 (27) self-bump: 1.32713 Ang CA(227) at 65.764 110.688 86.304 in (null):V-9999 (27) and CB(228) at 64.535 110.957 86.7268 in (null):V-9999 (27) other bump:2.90855 Ang CB(4) at 67.896 114.673 77.343 in (null):A-9999 (1) and CD(219) at 66.9355 114.275 80.0593 in (null):R-9999 (26) other bump:2.49749 Ang CB(9) at 66.688 110.137 75.2996 in (null):I-9999 (2) and CD1(191) at 67.5047 109.272 77.4957 in (null):I-9999 (23) other bump:1.17561 Ang CG1(10) at 67.2246 110.103 76.7124 in (null):I-9999 (2) and CD1(191) at 67.5047 109.272 77.4957 in (null):I-9999 (23) other bump:1.31071 Ang CD1(12) at 66.2635 109.582 77.7808 in (null):I-9999 (2) and CD1(191) at 67.5047 109.272 77.4957 in (null):I-9999 (23) other bump:2.83387 Ang CD1(12) at 66.2635 109.582 77.7808 in (null):I-9999 (2) and CG2(190) at 65.4504 106.966 77.0579 in (null):I-9999 (23) other bump:2.34818 Ang CG1(10) at 67.2246 110.103 76.7124 in (null):I-9999 (2) and CG1(189) at 66.3776 108.823 78.4893 in (null):I-9999 (23) other bump:1.04501 Ang CD1(12) at 66.2635 109.582 77.7808 in (null):I-9999 (2) and CG1(189) at 66.3776 108.823 78.4893 in (null):I-9999 (23) other bump:2.35615 Ang CD1(12) at 66.2635 109.582 77.7808 in (null):I-9999 (2) and CB(188) at 66.0287 107.333 78.443 in (null):I-9999 (23) other bump:2.79529 Ang CA(90) at 52.187 113.22 76.391 in (null):P-9999 (13) and ND2(163) at 53.2395 110.724 75.7025 in (null):N-9999 (20) neighbor-bump: 2.53878 Ang NE2(137) at 49.0016 110.765 68.4435 in (null):H-9999 (17) and CZ(148) at 51.4749 111.308 68.6276 in (null):F-9999 (18) neighbor-bump: 2.73442 Ang NE2(137) at 49.0016 110.765 68.4435 in (null):H-9999 (17) and CE2(147) at 51.0364 112.086 69.705 in (null):F-9999 (18) other bump:3.06676 Ang CB(108) at 48.342 112.783 71.789 in (null):H-9999 (15) and CD2(145) at 51.0257 111.515 71.0176 in (null):F-9999 (18) neighbor-bump: 2.43563 Ang CA(85) at 53.403 114.441 72.96 in (null):A-9999 (12) and CD(93) at 54.1055 114.329 75.2894 in (null):P-9999 (13) neighbor-bump: 2.09945 Ang C(88) at 52.549 113.732 74.013 in (null):A-9999 (12) and CD(93) at 54.1055 114.329 75.2894 in (null):P-9999 (13) self-bump: 1.27687 Ang N(89) at 52.913 113.872 75.289 in (null):P-9999 (13) and CD(93) at 54.1055 114.329 75.2894 in (null):P-9999 (13) other bump:2.86875 Ang C(83) at 53.349 116.698 73.86 in (null):D-9999 (11) and CD(93) at 54.1055 114.329 75.2894 in (null):P-9999 (13) neighbor-bump: 2.23483 Ang N(84) at 54.053 115.635 73.477 in (null):A-9999 (12) and CD(93) at 54.1055 114.329 75.2894 in (null):P-9999 (13) other bump:2.33891 Ang O(74) at 55.284 116.134 76.196 in (null):E-9999 (10) and CD(93) at 54.1055 114.329 75.2894 in (null):P-9999 (13) other bump:3.12059 Ang C(75) at 56.033 116.777 75.456 in (null):E-9999 (10) and CD(93) at 54.1055 114.329 75.2894 in (null):P-9999 (13) self-bump: 2.15083 Ang N(89) at 52.913 113.872 75.289 in (null):P-9999 (13) and CG(92) at 54.5654 113.885 76.6657 in (null):P-9999 (13) other bump:2.407 Ang O(74) at 55.284 116.134 76.196 in (null):E-9999 (10) and CG(92) at 54.5654 113.885 76.6657 in (null):P-9999 (13) other bump:1.85085 Ang CA(23) at 63.296 114.297 69.596 in (null):D-9999 (4) and CE(64) at 62.8468 114.886 71.2923 in (null):M-9999 (9) other bump:1.5067 Ang CB(24) at 62.277 113.716 70.5321 in (null):D-9999 (4) and CE(64) at 62.8468 114.886 71.2923 in (null):M-9999 (9) other bump:1.11022 Ang CG(25) at 62.5856 114.053 71.9788 in (null):D-9999 (4) and CE(64) at 62.8468 114.886 71.2923 in (null):M-9999 (9) other bump:2.34092 Ang OD2(27) at 62.032 113.363 72.8731 in (null):D-9999 (4) and CE(64) at 62.8468 114.886 71.2923 in (null):M-9999 (9) other bump:2.22658 Ang C(29) at 63.22 115.774 69.285 in (null):D-9999 (4) and CE(64) at 62.8468 114.886 71.2923 in (null):M-9999 (9) other bump:2.79005 Ang C(21) at 64.836 112.969 70.9 in (null):T-9999 (3) and CE(64) at 62.8468 114.886 71.2923 in (null):M-9999 (9) other bump:2.49596 Ang N(22) at 64.635 113.828 69.909 in (null):D-9999 (4) and CE(64) at 62.8468 114.886 71.2923 in (null):M-9999 (9) other bump:1.10595 Ang OD1(26) at 63.4012 114.974 72.2451 in (null):D-9999 (4) and CE(64) at 62.8468 114.886 71.2923 in (null):M-9999 (9) other bump:2.79327 Ang CA(23) at 63.296 114.297 69.596 in (null):D-9999 (4) and SD(63) at 61.5916 113.703 71.7277 in (null):M-9999 (9) other bump:1.37829 Ang CB(24) at 62.277 113.716 70.5321 in (null):D-9999 (4) and SD(63) at 61.5916 113.703 71.7277 in (null):M-9999 (9) other bump:1.08336 Ang CG(25) at 62.5856 114.053 71.9788 in (null):D-9999 (4) and SD(63) at 61.5916 113.703 71.7277 in (null):M-9999 (9) other bump:1.27319 Ang OD2(27) at 62.032 113.363 72.8731 in (null):D-9999 (4) and SD(63) at 61.5916 113.703 71.7277 in (null):M-9999 (9) other bump:2.61373 Ang O(20) at 63.919 112.521 71.595 in (null):T-9999 (3) and SD(63) at 61.5916 113.703 71.7277 in (null):M-9999 (9) other bump:2.27105 Ang OD1(26) at 63.4012 114.974 72.2451 in (null):D-9999 (4) and SD(63) at 61.5916 113.703 71.7277 in (null):M-9999 (9) other bump:2.50917 Ang CB(24) at 62.277 113.716 70.5321 in (null):D-9999 (4) and CG(62) at 60.0682 114.6 71.3299 in (null):M-9999 (9) other bump:2.65644 Ang CG(25) at 62.5856 114.053 71.9788 in (null):D-9999 (4) and CG(62) at 60.0682 114.6 71.3299 in (null):M-9999 (9) other bump:2.78672 Ang OD2(27) at 62.032 113.363 72.8731 in (null):D-9999 (4) and CG(62) at 60.0682 114.6 71.3299 in (null):M-9999 (9) neighbor-bump: 2.06705 Ang O(20) at 63.919 112.521 71.595 in (null):T-9999 (3) and CG(25) at 62.5856 114.053 71.9788 in (null):D-9999 (4) neighbor-bump: 2.72094 Ang C(21) at 64.836 112.969 70.9 in (null):T-9999 (3) and CG(25) at 62.5856 114.053 71.9788 in (null):D-9999 (4) neighbor-bump: 2.2922 Ang O(20) at 63.919 112.521 71.595 in (null):T-9999 (3) and CB(24) at 62.277 113.716 70.5321 in (null):D-9999 (4) neighbor-bump: 2.69107 Ang C(21) at 64.836 112.969 70.9 in (null):T-9999 (3) and CB(24) at 62.277 113.716 70.5321 in (null):D-9999 (4) neighbor-bump: 2.77316 Ang C(14) at 67.325 111.31 72.933 in (null):I-9999 (2) and CG2(18) at 68.1347 111.024 70.2962 in (null):T-9999 (3) neighbor-bump: 2.01312 Ang O(13) at 67.673 110.419 72.16 in (null):I-9999 (2) and CG2(18) at 68.1347 111.024 70.2962 in (null):T-9999 (3) T0147_twice 357 :TNTQAMIATIASG 1fwcC 308 :TIDEHLDMLMVAH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0147_twice 381 :KYEIDVKAVAEAAAKHQ 1fwcC 321 :HLDPDIAEDVAFAESRI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.10717 Ang O(93) at 71.193 118.799 69.582 in (null):A-9999 (12) and CD2(118) at 69.7617 117.423 70.2874 in (null):H-9999 (16) other bump:2.75835 Ang CB(13) at 77.7285 114.234 67.3477 in (null):Y-9999 (2) and CG1(72) at 78.1965 116.724 66.2583 in (null):V-9999 (9) other bump:2.97126 Ang N(23) at 80.473 114.875 65.783 in (null):E-9999 (3) and CG1(72) at 78.1965 116.724 66.2583 in (null):V-9999 (9) other bump:3.05124 Ang C(1) at 76.242 109.8 67.119 in (null):G-9999 (0) and CE1(17) at 74.4745 112.277 67.3481 in (null):Y-9999 (2) T0147_twice 415 :EDNCREVAAAVRDAGGWVALGSDSHTAFTMGE 1fwcC 338 :RRETIAAEDVLHDLGAFSLTSSDSQAMGRVGE Fragment has 82 clashes (null) has 82 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:1.47056 Ang OG(155) at 67.953 100.447 79.444 in (null):S-9999 (22) and CE(217) at 69.3494 100.112 79.1272 in (null):M-9999 (30) other bump:2.35111 Ang CB(154) at 67.937 101.313 80.573 in (null):S-9999 (22) and CE(217) at 69.3494 100.112 79.1272 in (null):M-9999 (30) other bump:2.40323 Ang N(166) at 69.941 101.536 77.284 in (null):S-9999 (24) and CE(217) at 69.3494 100.112 79.1272 in (null):M-9999 (30) other bump:2.5675 Ang CA(167) at 71.23 100.898 77.566 in (null):S-9999 (24) and CE(217) at 69.3494 100.112 79.1272 in (null):M-9999 (30) other bump:2.36118 Ang CB(168) at 71.051 99.384 77.661 in (null):S-9999 (24) and CE(217) at 69.3494 100.112 79.1272 in (null):M-9999 (30) other bump:2.22737 Ang CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) and CE(217) at 69.3494 100.112 79.1272 in (null):M-9999 (30) other bump:2.47212 Ang CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) and CE(217) at 69.3494 100.112 79.1272 in (null):M-9999 (30) other bump:2.84378 Ang OG(155) at 67.953 100.447 79.444 in (null):S-9999 (22) and SD(216) at 69.9559 98.5272 78.8196 in (null):M-9999 (30) other bump:2.96905 Ang CA(167) at 71.23 100.898 77.566 in (null):S-9999 (24) and SD(216) at 69.9559 98.5272 78.8196 in (null):M-9999 (30) other bump:1.80985 Ang CB(168) at 71.051 99.384 77.661 in (null):S-9999 (24) and SD(216) at 69.9559 98.5272 78.8196 in (null):M-9999 (30) other bump:2.31726 Ang OG(169) at 70.327 98.876 76.559 in (null):S-9999 (24) and SD(216) at 69.9559 98.5272 78.8196 in (null):M-9999 (30) other bump:3.2191 Ang CA(167) at 71.23 100.898 77.566 in (null):S-9999 (24) and CG(215) at 71.5764 98.4943 79.6791 in (null):M-9999 (30) other bump:2.26718 Ang CB(168) at 71.051 99.384 77.661 in (null):S-9999 (24) and CG(215) at 71.5764 98.4943 79.6791 in (null):M-9999 (30) other bump:2.39203 Ang CA(159) at 68.354 103.298 76.78 in (null):D-9999 (23) and CZ(202) at 70.0892 101.802 76.0913 in (null):F-9999 (28) other bump:2.60051 Ang O(170) at 72.48 100.964 75.505 in (null):S-9999 (24) and CZ(202) at 70.0892 101.802 76.0913 in (null):F-9999 (28) other bump:1.23103 Ang N(166) at 69.941 101.536 77.284 in (null):S-9999 (24) and CZ(202) at 70.0892 101.802 76.0913 in (null):F-9999 (28) other bump:2.07222 Ang CA(167) at 71.23 100.898 77.566 in (null):S-9999 (24) and CZ(202) at 70.0892 101.802 76.0913 in (null):F-9999 (28) other bump:2.50039 Ang C(171) at 72.445 101.235 76.708 in (null):S-9999 (24) and CZ(202) at 70.0892 101.802 76.0913 in (null):F-9999 (28) other bump:2.02122 Ang O(164) at 70.755 103.58 76.786 in (null):D-9999 (23) and CZ(202) at 70.0892 101.802 76.0913 in (null):F-9999 (28) other bump:1.36413 Ang C(165) at 69.804 102.82 76.954 in (null):D-9999 (23) and CZ(202) at 70.0892 101.802 76.0913 in (null):F-9999 (28) other bump:2.90725 Ang OG(155) at 67.953 100.447 79.444 in (null):S-9999 (22) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:2.49072 Ang N(158) at 67.724 102.765 78 in (null):D-9999 (23) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:2.39581 Ang CA(159) at 68.354 103.298 76.78 in (null):D-9999 (23) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:0.232398 Ang N(166) at 69.941 101.536 77.284 in (null):S-9999 (24) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:1.58577 Ang CA(167) at 71.23 100.898 77.566 in (null):S-9999 (24) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:2.45741 Ang CB(168) at 71.051 99.384 77.661 in (null):S-9999 (24) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:2.77162 Ang OG(169) at 70.327 98.876 76.559 in (null):S-9999 (24) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:2.7857 Ang C(171) at 72.445 101.235 76.708 in (null):S-9999 (24) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:2.42672 Ang O(164) at 70.755 103.58 76.786 in (null):D-9999 (23) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:1.43591 Ang C(165) at 69.804 102.82 76.954 in (null):D-9999 (23) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:2.83509 Ang CG(161) at 68.62 105.373 75.284 in (null):D-9999 (23) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:2.41224 Ang OD1(162) at 68.946 104.58 74.377 in (null):D-9999 (23) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:2.19766 Ang CA(159) at 68.354 103.298 76.78 in (null):D-9999 (23) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:2.78571 Ang CB(160) at 68.292 104.835 76.689 in (null):D-9999 (23) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:2.23669 Ang N(166) at 69.941 101.536 77.284 in (null):S-9999 (24) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:3.02333 Ang CA(167) at 71.23 100.898 77.566 in (null):S-9999 (24) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:3.02239 Ang C(171) at 72.445 101.235 76.708 in (null):S-9999 (24) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:1.20928 Ang O(164) at 70.755 103.58 76.786 in (null):D-9999 (23) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:1.32815 Ang C(165) at 69.804 102.82 76.954 in (null):D-9999 (23) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:3.00037 Ang CB(154) at 67.937 101.313 80.573 in (null):S-9999 (22) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:3.21973 Ang CA(153) at 67.07 102.556 80.321 in (null):S-9999 (22) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:2.31131 Ang C(157) at 67.676 103.372 79.19 in (null):S-9999 (22) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:1.96872 Ang N(158) at 67.724 102.765 78 in (null):D-9999 (23) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:2.21096 Ang CA(159) at 68.354 103.298 76.78 in (null):D-9999 (23) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:1.45438 Ang N(166) at 69.941 101.536 77.284 in (null):S-9999 (24) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:2.36924 Ang CA(167) at 71.23 100.898 77.566 in (null):S-9999 (24) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:2.24933 Ang O(164) at 70.755 103.58 76.786 in (null):D-9999 (23) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:1.47653 Ang C(165) at 69.804 102.82 76.954 in (null):D-9999 (23) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:2.46705 Ang CG(161) at 68.62 105.373 75.284 in (null):D-9999 (23) and CD1(198) at 70.1693 104.124 76.742 in (null):F-9999 (28) other bump:2.70145 Ang OD1(162) at 68.946 104.58 74.377 in (null):D-9999 (23) and CD1(198) at 70.1693 104.124 76.742 in (null):F-9999 (28) other bump:1.99474 Ang CA(159) at 68.354 103.298 76.78 in (null):D-9999 (23) and CD1(198) at 70.1693 104.124 76.742 in (null):F-9999 (28) other bump:2.00816 Ang CB(160) at 68.292 104.835 76.689 in (null):D-9999 (23) and CD1(198) at 70.1693 104.124 76.742 in (null):F-9999 (28) other bump:2.65392 Ang N(166) at 69.941 101.536 77.284 in (null):S-9999 (24) and CD1(198) at 70.1693 104.124 76.742 in (null):F-9999 (28) other bump:0.800519 Ang O(164) at 70.755 103.58 76.786 in (null):D-9999 (23) and CD1(198) at 70.1693 104.124 76.742 in (null):F-9999 (28) other bump:1.37064 Ang C(165) at 69.804 102.82 76.954 in (null):D-9999 (23) and CD1(198) at 70.1693 104.124 76.742 in (null):F-9999 (28) other bump:2.35681 Ang O(156) at 68.05 104.523 79.399 in (null):S-9999 (22) and CG(197) at 69.8391 103.787 78.0529 in (null):F-9999 (28) other bump:2.47883 Ang C(157) at 67.676 103.372 79.19 in (null):S-9999 (22) and CG(197) at 69.8391 103.787 78.0529 in (null):F-9999 (28) other bump:2.34977 Ang N(158) at 67.724 102.765 78 in (null):D-9999 (23) and CG(197) at 69.8391 103.787 78.0529 in (null):F-9999 (28) other bump:2.01621 Ang CA(159) at 68.354 103.298 76.78 in (null):D-9999 (23) and CG(197) at 69.8391 103.787 78.0529 in (null):F-9999 (28) other bump:2.31338 Ang CB(160) at 68.292 104.835 76.689 in (null):D-9999 (23) and CG(197) at 69.8391 103.787 78.0529 in (null):F-9999 (28) other bump:2.38101 Ang N(166) at 69.941 101.536 77.284 in (null):S-9999 (24) and CG(197) at 69.8391 103.787 78.0529 in (null):F-9999 (28) other bump:1.57691 Ang O(164) at 70.755 103.58 76.786 in (null):D-9999 (23) and CG(197) at 69.8391 103.787 78.0529 in (null):F-9999 (28) other bump:1.46428 Ang C(165) at 69.804 102.82 76.954 in (null):D-9999 (23) and CG(197) at 69.8391 103.787 78.0529 in (null):F-9999 (28) other bump:1.75124 Ang O(156) at 68.05 104.523 79.399 in (null):S-9999 (22) and CB(196) at 69.7484 104.839 79.1123 in (null):F-9999 (28) other bump:2.54045 Ang C(157) at 67.676 103.372 79.19 in (null):S-9999 (22) and CB(196) at 69.7484 104.839 79.1123 in (null):F-9999 (28) other bump:3.10455 Ang N(158) at 67.724 102.765 78 in (null):D-9999 (23) and CB(196) at 69.7484 104.839 79.1123 in (null):F-9999 (28) other bump:3.12404 Ang CA(159) at 68.354 103.298 76.78 in (null):D-9999 (23) and CB(196) at 69.7484 104.839 79.1123 in (null):F-9999 (28) other bump:2.82727 Ang CB(160) at 68.292 104.835 76.689 in (null):D-9999 (23) and CB(196) at 69.7484 104.839 79.1123 in (null):F-9999 (28) other bump:2.95617 Ang C(165) at 69.804 102.82 76.954 in (null):D-9999 (23) and CB(196) at 69.7484 104.839 79.1123 in (null):F-9999 (28) other bump:2.97 Ang CA(61) at 59.792 115.48 83.514 in (null):A-9999 (8) and CH2(125) at 60.3248 113.186 81.7045 in (null):W-9999 (17) other bump:2.16702 Ang CB(62) at 61.041 114.893 82.831 in (null):A-9999 (8) and CH2(125) at 60.3248 113.186 81.7045 in (null):W-9999 (17) other bump:2.6069 Ang NE(87) at 60.0424 109.925 83.9954 in (null):R-9999 (12) and CZ3(124) at 60.1539 112.114 82.5834 in (null):W-9999 (17) other bump:2.9266 Ang CZ(88) at 61.3568 109.818 83.943 in (null):R-9999 (12) and CZ3(124) at 60.1539 112.114 82.5834 in (null):W-9999 (17) other bump:2.928 Ang CB(62) at 61.041 114.893 82.831 in (null):A-9999 (8) and CZ3(124) at 60.1539 112.114 82.5834 in (null):W-9999 (17) other bump:2.87802 Ang NH2(90) at 61.9764 109.894 82.7701 in (null):R-9999 (12) and CZ3(124) at 60.1539 112.114 82.5834 in (null):W-9999 (17) other bump:2.90211 Ang CB(62) at 61.041 114.893 82.831 in (null):A-9999 (8) and CZ2(123) at 59.2916 113.618 80.8978 in (null):W-9999 (17) other bump:3.10808 Ang CG1(78) at 54.8702 114.107 82.4623 in (null):V-9999 (11) and NE1(122) at 56.9214 113.177 80.3207 in (null):W-9999 (17) other bump:2.30454 Ang NE(87) at 60.0424 109.925 83.9954 in (null):R-9999 (12) and CE3(121) at 58.9404 111.456 82.6714 in (null):W-9999 (17) other bump:3.18413 Ang CZ(88) at 61.3568 109.818 83.943 in (null):R-9999 (12) and CE3(121) at 58.9404 111.456 82.6714 in (null):W-9999 (17) other bump:2.91443 Ang CG(85) at 57.8805 110.25 85.1036 in (null):R-9999 (12) and CE3(121) at 58.9404 111.456 82.6714 in (null):W-9999 (17) other bump:3.06672 Ang CD(86) at 59.3315 109.888 85.2778 in (null):R-9999 (12) and CE3(121) at 58.9404 111.456 82.6714 in (null):W-9999 (17) other bump:2.72853 Ang CG1(78) at 54.8702 114.107 82.4623 in (null):V-9999 (11) and CD1(118) at 55.99 112.323 80.7285 in (null):W-9999 (17) Number of specific fragments= 10 total=464 Number of alignments=38 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1a4mA/T0147_twice-1a4mA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1a4mA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1a4mA/T0147_twice-1a4mA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1a4mA in template set T0147_twice 2 :YPVDLHMH 1a4mA 10 :PKVELHVH Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:1.444 Ang OD2(33) at 32.1194 30.3843 50.1863 in (null):D-9999 (4) and CE(59) at 32.7975 30.7877 48.9769 in (null):M-9999 (7) other bump:1.93279 Ang CB(30) at 32.4157 32.6224 49.4498 in (null):D-9999 (4) and CE(59) at 32.7975 30.7877 48.9769 in (null):M-9999 (7) other bump:0.974668 Ang CG(31) at 32.9377 31.2559 49.8201 in (null):D-9999 (4) and CE(59) at 32.7975 30.7877 48.9769 in (null):M-9999 (7) other bump:1.58852 Ang OD1(32) at 34.1646 31.0174 49.7525 in (null):D-9999 (4) and CE(59) at 32.7975 30.7877 48.9769 in (null):M-9999 (7) other bump:1.57693 Ang OD2(33) at 32.1194 30.3843 50.1863 in (null):D-9999 (4) and SD(58) at 32.0918 29.1769 49.1723 in (null):M-9999 (7) other bump:2.3361 Ang CG(31) at 32.9377 31.2559 49.8201 in (null):D-9999 (4) and SD(58) at 32.0918 29.1769 49.1723 in (null):M-9999 (7) other bump:2.83206 Ang OD1(32) at 34.1646 31.0174 49.7525 in (null):D-9999 (4) and SD(58) at 32.0918 29.1769 49.1723 in (null):M-9999 (7) other bump:2.57725 Ang OD2(33) at 32.1194 30.3843 50.1863 in (null):D-9999 (4) and CG(57) at 33.5262 28.2666 49.7639 in (null):M-9999 (7) other bump:3.04721 Ang CG(31) at 32.9377 31.2559 49.8201 in (null):D-9999 (4) and CG(57) at 33.5262 28.2666 49.7639 in (null):M-9999 (7) T0147_twice 14 :THAYSTLSDYIAQAKQKGIK 1a4mA 18 :LDGAIKPETILYFGKKRGIA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.8524 Ang CE(133) at 33.7923 8.47214 34.5791 in (null):K-9999 (17) and CD1(146) at 34.725 6.15 35.948 in (null):I-9999 (19) other bump:2.15374 Ang OG(39) at 31.025 16.8951 44.286 in (null):S-9999 (5) and OH(80) at 32.8911 16.0548 43.615 in (null):Y-9999 (10) other bump:2.12688 Ang OG(39) at 31.025 16.8951 44.286 in (null):S-9999 (5) and CZ(79) at 31.8889 15.1433 43.4442 in (null):Y-9999 (10) other bump:2.2713 Ang CB(38) at 30.5131 17.8476 43.3642 in (null):S-9999 (5) and CE1(77) at 30.5713 15.5777 43.3093 in (null):Y-9999 (10) other bump:1.70158 Ang OG(39) at 31.025 16.8951 44.286 in (null):S-9999 (5) and CE1(77) at 30.5713 15.5777 43.3093 in (null):Y-9999 (10) other bump:2.98969 Ang C(1) at 35.793 23.524 45.953 in (null):G-9999 (0) and CD2(29) at 33.2383 24.7198 46.9437 in (null):Y-9999 (4) other bump:2.43549 Ang O(0) at 34.819 22.942 46.422 in (null):G-9999 (0) and CD2(29) at 33.2383 24.7198 46.9437 in (null):Y-9999 (4) T0147_twice 41 :GPDMEDAPHH 1a4mA 38 :LPADTVEELR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.54855 Ang O(44) at 22.884 10.889 48.748 in (null):D-9999 (6) and CD2(72) at 23.3766 13.381 48.9539 in (null):H-9999 (10) other bump:3.21902 Ang CB(15) at 26.2967 5.73978 48.271 in (null):D-9999 (3) and CA(59) at 25.825 8.806 49.13 in (null):H-9999 (9) other bump:3.04202 Ang CG(16) at 26.8457 5.98905 49.6562 in (null):D-9999 (3) and CA(59) at 25.825 8.806 49.13 in (null):H-9999 (9) other bump:2.16547 Ang OD2(18) at 26.9782 7.18374 49.9831 in (null):D-9999 (3) and CA(59) at 25.825 8.806 49.13 in (null):H-9999 (9) other bump:3.09211 Ang CG(16) at 26.8457 5.98905 49.6562 in (null):D-9999 (3) and N(58) at 24.636 8.152 49.645 in (null):H-9999 (9) other bump:3.06643 Ang CG(16) at 26.8457 5.98905 49.6562 in (null):D-9999 (3) and C(57) at 24.567 7.645 50.868 in (null):P-9999 (8) other bump:2.60951 Ang OD2(18) at 26.9782 7.18374 49.9831 in (null):D-9999 (3) and C(57) at 24.567 7.645 50.868 in (null):P-9999 (8) other bump:2.29043 Ang OD2(18) at 26.9782 7.18374 49.9831 in (null):D-9999 (3) and O(56) at 25.505 7.667 51.669 in (null):P-9999 (8) T0147_twice 87 :GKMF 1a4mA 60 :GFLA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.62181 Ang O(0) at 42.575 11.889 55.376 in (null):G-9999 (0) and CZ(31) at 44.2422 9.86654 55.3129 in (null):F-9999 (4) other bump:3.07104 Ang C(1) at 42.887 12.37 56.465 in (null):G-9999 (0) and CZ(31) at 44.2422 9.86654 55.3129 in (null):F-9999 (4) other bump:1.56538 Ang O(0) at 42.575 11.889 55.376 in (null):G-9999 (0) and CE2(30) at 43.1597 10.5181 55.8546 in (null):F-9999 (4) other bump:2.62685 Ang N(2) at 42.138 12.237 57.558 in (null):G-9999 (1) and CE2(30) at 43.1597 10.5181 55.8546 in (null):F-9999 (4) other bump:2.99293 Ang CA(3) at 40.89 11.485 57.549 in (null):G-9999 (1) and CE2(30) at 43.1597 10.5181 55.8546 in (null):F-9999 (4) other bump:1.96893 Ang C(1) at 42.887 12.37 56.465 in (null):G-9999 (0) and CE2(30) at 43.1597 10.5181 55.8546 in (null):F-9999 (4) other bump:3.05911 Ang C(5) at 39.804 12.111 56.683 in (null):G-9999 (1) and CD2(28) at 41.9047 10.4097 55.251 in (null):F-9999 (4) other bump:1.62892 Ang O(0) at 42.575 11.889 55.376 in (null):G-9999 (0) and CD2(28) at 41.9047 10.4097 55.251 in (null):F-9999 (4) other bump:2.73257 Ang CA(3) at 40.89 11.485 57.549 in (null):G-9999 (1) and CD2(28) at 41.9047 10.4097 55.251 in (null):F-9999 (4) other bump:2.50634 Ang C(1) at 42.887 12.37 56.465 in (null):G-9999 (0) and CD2(28) at 41.9047 10.4097 55.251 in (null):F-9999 (4) T0147_twice 111 :ATNTQAM 1a4mA 76 :REAIKRI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.78123 Ang ND2(18) at 32.7876 15.2036 37.2655 in (null):N-9999 (3) and CE(48) at 33.3268 17.4417 38.826 in (null):M-9999 (7) T0147_twice 140 :DVKAVAEAAAKHQVALEINNSSFL 1a4mA 83 :AYEFVEMKAKEGVVYVEVRYSPHL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.7598 Ang CD(90) at 28.8687 32.9657 48.7739 in (null):Q-9999 (13) and CD2(112) at 31.1103 32.7975 47.1728 in (null):L-9999 (16) other bump:1.6047 Ang NE2(92) at 29.8591 33.3864 47.9869 in (null):Q-9999 (13) and CD2(112) at 31.1103 32.7975 47.1728 in (null):L-9999 (16) other bump:2.58671 Ang CB(54) at 27.676 30.371 45.152 in (null):A-9999 (8) and CD1(111) at 29.9962 31.4931 45.372 in (null):L-9999 (16) other bump:2.5591 Ang NE2(92) at 29.8591 33.3864 47.9869 in (null):Q-9999 (13) and CG(110) at 30.794 32.753 45.6905 in (null):L-9999 (16) T0147_twice 164 :HSRK 1a4mA 109 :NSKV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 171 :DNCR 1a4mA 113 :DPMP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 211 :AVDFPPERILNVSPRRLLNFLESRGMAPI 1a4mA 121 :EGDVTPDDVVDLVNQGLQEGEQAFGIKVR Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.45833 Ang CD1(172) at 29.2117 36.2114 37.6375 in (null):L-9999 (21) and CD(223) at 30.7932 34.9098 38.997 in (null):P-9999 (28) neighbor-bump: 2.03371 Ang C(218) at 31.491 36.12 40.475 in (null):A-9999 (27) and CD(223) at 30.7932 34.9098 38.997 in (null):P-9999 (28) neighbor-bump: 2.82588 Ang C(218) at 31.491 36.12 40.475 in (null):A-9999 (27) and CG(222) at 30.5562 33.5813 39.6584 in (null):P-9999 (28) other bump:2.93923 Ang CD1(172) at 29.2117 36.2114 37.6375 in (null):L-9999 (21) and CA(215) at 30.708 37.317 39.913 in (null):A-9999 (27) other bump:2.43137 Ang CD1(172) at 29.2117 36.2114 37.6375 in (null):L-9999 (21) and C(213) at 28.374 36.682 39.871 in (null):M-9999 (26) other bump:1.35437 Ang CD1(172) at 29.2117 36.2114 37.6375 in (null):L-9999 (21) and O(212) at 28.504 36.124 38.789 in (null):M-9999 (26) other bump:2.98879 Ang CG1(94) at 35.2729 21.5105 31.8216 in (null):V-9999 (12) and NH2(130) at 34.4611 21.1883 34.6799 in (null):R-9999 (16) other bump:2.70293 Ang CG1(94) at 35.2729 21.5105 31.8216 in (null):V-9999 (12) and NH1(129) at 32.9736 20.7052 32.9924 in (null):R-9999 (16) other bump:3.01745 Ang CG1(94) at 35.2729 21.5105 31.8216 in (null):V-9999 (12) and CZ(128) at 33.2865 21.3918 34.0899 in (null):R-9999 (16) other bump:2.82057 Ang C(90) at 38.078 25.377 30.492 in (null):N-9999 (11) and CD(108) at 38.0049 26.7584 32.9501 in (null):P-9999 (14) other bump:3.16694 Ang CA(84) at 39.54 25.842 30.336 in (null):N-9999 (11) and CD(108) at 38.0049 26.7584 32.9501 in (null):P-9999 (14) other bump:1.41811 Ang O(81) at 39.289 26.168 33.067 in (null):L-9999 (10) and CD(108) at 38.0049 26.7584 32.9501 in (null):P-9999 (14) other bump:2.57278 Ang C(82) at 40.227 25.498 32.645 in (null):L-9999 (10) and CD(108) at 38.0049 26.7584 32.9501 in (null):P-9999 (14) other bump:2.06206 Ang O(81) at 39.289 26.168 33.067 in (null):L-9999 (10) and CG(107) at 38.6678 28.0833 32.6222 in (null):P-9999 (14) other bump:3.01917 Ang C(82) at 40.227 25.498 32.645 in (null):L-9999 (10) and CG(107) at 38.6678 28.0833 32.6222 in (null):P-9999 (14) other bump:2.81405 Ang CD2(27) at 40.4919 16.852 32.1286 in (null):F-9999 (4) and CD1(72) at 41.6802 17.8414 34.4797 in (null):I-9999 (9) other bump:2.27785 Ang CE2(29) at 40.077 17.9561 32.8657 in (null):F-9999 (4) and CD1(72) at 41.6802 17.8414 34.4797 in (null):I-9999 (9) other bump:2.4106 Ang CD2(27) at 40.4919 16.852 32.1286 in (null):F-9999 (4) and CG1(70) at 40.8892 18.7559 33.5527 in (null):I-9999 (9) other bump:1.33095 Ang CE2(29) at 40.077 17.9561 32.8657 in (null):F-9999 (4) and CG1(70) at 40.8892 18.7559 33.5527 in (null):I-9999 (9) other bump:1.95386 Ang CZ(30) at 39.4653 18.9995 32.2371 in (null):F-9999 (4) and CG1(70) at 40.8892 18.7559 33.5527 in (null):I-9999 (9) other bump:2.68915 Ang CE2(29) at 40.077 17.9561 32.8657 in (null):F-9999 (4) and CB(69) at 40.9348 20.2352 34.0064 in (null):I-9999 (9) other bump:2.6109 Ang CZ(30) at 39.4653 18.9995 32.2371 in (null):F-9999 (4) and CB(69) at 40.9348 20.2352 34.0064 in (null):I-9999 (9) other bump:2.42361 Ang CZ(30) at 39.4653 18.9995 32.2371 in (null):F-9999 (4) and CA(68) at 40.377 21.161 32.846 in (null):I-9999 (9) other bump:2.8121 Ang CZ(30) at 39.4653 18.9995 32.2371 in (null):F-9999 (4) and N(67) at 41.302 21.065 31.719 in (null):I-9999 (9) other bump:3.16285 Ang CE1(28) at 39.296 18.9646 30.8787 in (null):F-9999 (4) and C(66) at 40.977 21.624 30.554 in (null):R-9999 (8) other bump:2.53263 Ang CD(37) at 43.6428 17.6339 28.3038 in (null):P-9999 (5) and CD(60) at 42.2471 18.8471 26.5733 in (null):R-9999 (8) other bump:2.8313 Ang CG(36) at 44.5016 18.8771 28.2858 in (null):P-9999 (5) and CD(60) at 42.2471 18.8471 26.5733 in (null):R-9999 (8) other bump:3.0287 Ang CD(37) at 43.6428 17.6339 28.3038 in (null):P-9999 (5) and CG(59) at 42.3499 20.179 27.292 in (null):R-9999 (8) other bump:2.70421 Ang CG(36) at 44.5016 18.8771 28.2858 in (null):P-9999 (5) and CG(59) at 42.3499 20.179 27.292 in (null):R-9999 (8) other bump:2.53748 Ang CG1(10) at 41.5485 12.0644 29.0398 in (null):V-9999 (2) and N(22) at 42.34 14.417 28.513 in (null):F-9999 (4) neighbor-bump: 3.20448 Ang CG1(10) at 41.5485 12.0644 29.0398 in (null):V-9999 (2) and CA(15) at 43.19 13.222 26.543 in (null):D-9999 (3) neighbor-bump: 2.18077 Ang CG1(10) at 41.5485 12.0644 29.0398 in (null):V-9999 (2) and N(14) at 42.715 12.012 27.198 in (null):D-9999 (3) T0147_twice 372 :HIIS 1a4mA 150 :SILC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 376 :HPGNP 1a4mA 157 :HQPSW Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.4278 Ang OD1(28) at 54.8622 16.3636 41.9604 in (null):N-9999 (4) and CD(35) at 54.0268 18.5033 41.1742 in (null):P-9999 (5) neighbor-bump: 2.07446 Ang C(30) at 55.388 19.375 39.874 in (null):N-9999 (4) and CD(35) at 54.0268 18.5033 41.1742 in (null):P-9999 (5) self-bump: 1.36493 Ang N(31) at 54.199 19.621 40.41 in (null):P-9999 (5) and CD(35) at 54.0268 18.5033 41.1742 in (null):P-9999 (5) other bump:2.31919 Ang O(17) at 53.137 18.894 43.28 in (null):P-9999 (2) and CD(35) at 54.0268 18.5033 41.1742 in (null):P-9999 (5) other bump:3.04181 Ang C(18) at 53.696 18.27 44.189 in (null):P-9999 (2) and CD(35) at 54.0268 18.5033 41.1742 in (null):P-9999 (5) neighbor-bump: 2.30159 Ang N(23) at 56.056 18.827 42.211 in (null):N-9999 (4) and CD(35) at 54.0268 18.5033 41.1742 in (null):P-9999 (5) T0147_twice 383 :EIDVKAVAEAAAKHQVALEINNSSFL 1a4mA 163 :LEVLELCKKYNQKTVVAMDLAGDETI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:1.69268 Ang OE1(137) at 43.8699 24.9132 46.9662 in (null):E-9999 (19) and OD1(154) at 43.6337 24.1362 48.4513 in (null):N-9999 (21) other bump:2.02339 Ang CD(136) at 43.9473 25.9629 47.6395 in (null):E-9999 (19) and OD1(154) at 43.6337 24.1362 48.4513 in (null):N-9999 (21) other bump:1.41846 Ang OE1(137) at 43.8699 24.9132 46.9662 in (null):E-9999 (19) and ND2(153) at 45.1189 24.2698 46.7707 in (null):N-9999 (21) other bump:2.23469 Ang CD(136) at 43.9473 25.9629 47.6395 in (null):E-9999 (19) and ND2(153) at 45.1189 24.2698 46.7707 in (null):N-9999 (21) other bump:1.68747 Ang OE1(137) at 43.8699 24.9132 46.9662 in (null):E-9999 (19) and CG(152) at 44.6251 23.6987 47.8617 in (null):N-9999 (21) other bump:3.07314 Ang CG(135) at 45.2602 26.6992 47.6682 in (null):E-9999 (19) and CG(152) at 44.6251 23.6987 47.8617 in (null):N-9999 (21) other bump:2.37393 Ang CD(136) at 43.9473 25.9629 47.6395 in (null):E-9999 (19) and CG(152) at 44.6251 23.6987 47.8617 in (null):N-9999 (21) T0147_twice 410 :SRKGSEDNCREVAAAVRDAGGWVAL 1a4mA 189 :EGSSLFPGHVEAYEGAVKNGIHRTV Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.97404 Ang CG1(114) at 52.0639 34.5529 42.5727 in (null):V-9999 (16) and C(149) at 49.816 36.385 41.913 in (null):G-9999 (21) other bump:2.22339 Ang CG1(114) at 52.0639 34.5529 42.5727 in (null):V-9999 (16) and O(148) at 50.708 36.305 42.76 in (null):G-9999 (21) other bump:2.33128 Ang CA(33) at 59.291 24.503 51.927 in (null):S-9999 (5) and NH2(77) at 61.2661 25.118 53.0019 in (null):R-9999 (10) other bump:2.99725 Ang C(37) at 59.859 23.653 50.798 in (null):S-9999 (5) and NH2(77) at 61.2661 25.118 53.0019 in (null):R-9999 (10) other bump:1.30755 Ang CB(34) at 60.2206 24.3701 53.241 in (null):S-9999 (5) and NH2(77) at 61.2661 25.118 53.0019 in (null):R-9999 (10) other bump:2.46843 Ang OG(35) at 60.1414 23.0655 53.7865 in (null):S-9999 (5) and NH2(77) at 61.2661 25.118 53.0019 in (null):R-9999 (10) other bump:2.59952 Ang CA(33) at 59.291 24.503 51.927 in (null):S-9999 (5) and CZ(75) at 61.6174 25.6597 51.8406 in (null):R-9999 (10) other bump:2.86457 Ang C(37) at 59.859 23.653 50.798 in (null):S-9999 (5) and CZ(75) at 61.6174 25.6597 51.8406 in (null):R-9999 (10) other bump:2.36116 Ang CB(34) at 60.2206 24.3701 53.241 in (null):S-9999 (5) and CZ(75) at 61.6174 25.6597 51.8406 in (null):R-9999 (10) other bump:2.39532 Ang O(36) at 61.021 23.821 50.426 in (null):S-9999 (5) and CZ(75) at 61.6174 25.6597 51.8406 in (null):R-9999 (10) other bump:2.4373 Ang CA(33) at 59.291 24.503 51.927 in (null):S-9999 (5) and NE(74) at 60.7185 26.3079 51.124 in (null):R-9999 (10) other bump:2.80956 Ang C(37) at 59.859 23.653 50.798 in (null):S-9999 (5) and NE(74) at 60.7185 26.3079 51.124 in (null):R-9999 (10) other bump:2.91287 Ang CB(34) at 60.2206 24.3701 53.241 in (null):S-9999 (5) and NE(74) at 60.7185 26.3079 51.124 in (null):R-9999 (10) Number of specific fragments= 13 total=477 Number of alignments=39 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1a4mA/T0147_twice-1a4mA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1a4mA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1a4mA/T0147_twice-1a4mA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1a4mA in template set T0147_twice 3 :PVDLHMH 1a4mA 11 :KVELHVH Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:0.974668 Ang CG(19) at 32.9377 31.2559 49.8201 in (null):D-9999 (3) and CE(47) at 32.7975 30.7877 48.9769 in (null):M-9999 (6) other bump:1.444 Ang OD2(21) at 32.1194 30.3843 50.1863 in (null):D-9999 (3) and CE(47) at 32.7975 30.7877 48.9769 in (null):M-9999 (6) other bump:1.93279 Ang CB(18) at 32.4157 32.6224 49.4498 in (null):D-9999 (3) and CE(47) at 32.7975 30.7877 48.9769 in (null):M-9999 (6) other bump:1.58852 Ang OD1(20) at 34.1646 31.0174 49.7525 in (null):D-9999 (3) and CE(47) at 32.7975 30.7877 48.9769 in (null):M-9999 (6) other bump:2.3361 Ang CG(19) at 32.9377 31.2559 49.8201 in (null):D-9999 (3) and SD(46) at 32.0918 29.1769 49.1723 in (null):M-9999 (6) other bump:1.57693 Ang OD2(21) at 32.1194 30.3843 50.1863 in (null):D-9999 (3) and SD(46) at 32.0918 29.1769 49.1723 in (null):M-9999 (6) other bump:2.83206 Ang OD1(20) at 34.1646 31.0174 49.7525 in (null):D-9999 (3) and SD(46) at 32.0918 29.1769 49.1723 in (null):M-9999 (6) other bump:3.04721 Ang CG(19) at 32.9377 31.2559 49.8201 in (null):D-9999 (3) and CG(45) at 33.5262 28.2666 49.7639 in (null):M-9999 (6) other bump:2.57725 Ang OD2(21) at 32.1194 30.3843 50.1863 in (null):D-9999 (3) and CG(45) at 33.5262 28.2666 49.7639 in (null):M-9999 (6) T0147_twice 14 :THAYSTLSDYIAQAKQKGIK 1a4mA 18 :LDGAIKPETILYFGKKRGIA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.8524 Ang CE(133) at 33.7923 8.47214 34.5791 in (null):K-9999 (17) and CD1(146) at 34.725 6.15 35.948 in (null):I-9999 (19) other bump:2.15374 Ang OG(39) at 31.025 16.8951 44.286 in (null):S-9999 (5) and OH(80) at 32.8911 16.0548 43.615 in (null):Y-9999 (10) other bump:2.12688 Ang OG(39) at 31.025 16.8951 44.286 in (null):S-9999 (5) and CZ(79) at 31.8889 15.1433 43.4442 in (null):Y-9999 (10) other bump:2.2713 Ang CB(38) at 30.5131 17.8476 43.3642 in (null):S-9999 (5) and CE1(77) at 30.5713 15.5777 43.3093 in (null):Y-9999 (10) other bump:1.70158 Ang OG(39) at 31.025 16.8951 44.286 in (null):S-9999 (5) and CE1(77) at 30.5713 15.5777 43.3093 in (null):Y-9999 (10) other bump:2.98969 Ang C(1) at 35.793 23.524 45.953 in (null):G-9999 (0) and CD2(29) at 33.2383 24.7198 46.9437 in (null):Y-9999 (4) other bump:2.43549 Ang O(0) at 34.819 22.942 46.422 in (null):G-9999 (0) and CD2(29) at 33.2383 24.7198 46.9437 in (null):Y-9999 (4) T0147_twice 41 :GPDMEDAPHH 1a4mA 38 :LPADTVEELR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.54855 Ang O(44) at 22.884 10.889 48.748 in (null):D-9999 (6) and CD2(72) at 23.3766 13.381 48.9539 in (null):H-9999 (10) other bump:3.21902 Ang CB(15) at 26.2967 5.73978 48.271 in (null):D-9999 (3) and CA(59) at 25.825 8.806 49.13 in (null):H-9999 (9) other bump:3.04202 Ang CG(16) at 26.8457 5.98905 49.6562 in (null):D-9999 (3) and CA(59) at 25.825 8.806 49.13 in (null):H-9999 (9) other bump:2.16547 Ang OD2(18) at 26.9782 7.18374 49.9831 in (null):D-9999 (3) and CA(59) at 25.825 8.806 49.13 in (null):H-9999 (9) other bump:3.09211 Ang CG(16) at 26.8457 5.98905 49.6562 in (null):D-9999 (3) and N(58) at 24.636 8.152 49.645 in (null):H-9999 (9) other bump:3.06643 Ang CG(16) at 26.8457 5.98905 49.6562 in (null):D-9999 (3) and C(57) at 24.567 7.645 50.868 in (null):P-9999 (8) other bump:2.60951 Ang OD2(18) at 26.9782 7.18374 49.9831 in (null):D-9999 (3) and C(57) at 24.567 7.645 50.868 in (null):P-9999 (8) other bump:2.29043 Ang OD2(18) at 26.9782 7.18374 49.9831 in (null):D-9999 (3) and O(56) at 25.505 7.667 51.669 in (null):P-9999 (8) T0147_twice 51 :WHFINMRIW 1a4mA 77 :EAIKRIAYE Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.31692 Ang ND2(49) at 26.6644 18.5152 36.1978 in (null):N-9999 (5) and CH2(91) at 25.7199 17.7812 36.7488 in (null):W-9999 (9) other bump:2.48647 Ang CG(48) at 26.9019 19.3392 35.2132 in (null):N-9999 (5) and CH2(91) at 25.7199 17.7812 36.7488 in (null):W-9999 (9) other bump:1.80426 Ang ND2(49) at 26.6644 18.5152 36.1978 in (null):N-9999 (5) and CZ3(90) at 26.4698 18.0099 37.9189 in (null):W-9999 (9) other bump:3.04541 Ang CG(48) at 26.9019 19.3392 35.2132 in (null):N-9999 (5) and CZ3(90) at 26.4698 18.0099 37.9189 in (null):W-9999 (9) other bump:1.66356 Ang ND2(49) at 26.6644 18.5152 36.1978 in (null):N-9999 (5) and CZ2(89) at 25.0254 18.7928 36.1337 in (null):W-9999 (9) other bump:2.1604 Ang CG(48) at 26.9019 19.3392 35.2132 in (null):N-9999 (5) and CZ2(89) at 25.0254 18.7928 36.1337 in (null):W-9999 (9) other bump:2.13129 Ang OD1(50) at 26.0212 20.0302 34.7126 in (null):N-9999 (5) and CZ2(89) at 25.0254 18.7928 36.1337 in (null):W-9999 (9) other bump:2.52302 Ang OD1(50) at 26.0212 20.0302 34.7126 in (null):N-9999 (5) and NE1(88) at 24.5069 21.2461 36.3232 in (null):W-9999 (9) other bump:2.42324 Ang ND2(49) at 26.6644 18.5152 36.1978 in (null):N-9999 (5) and CE3(87) at 26.533 19.2795 38.4936 in (null):W-9999 (9) other bump:2.27139 Ang ND2(49) at 26.6644 18.5152 36.1978 in (null):N-9999 (5) and CE2(86) at 25.089 20.069 36.7108 in (null):W-9999 (9) other bump:2.46212 Ang CG(48) at 26.9019 19.3392 35.2132 in (null):N-9999 (5) and CE2(86) at 25.089 20.069 36.7108 in (null):W-9999 (9) other bump:2.20527 Ang OD1(50) at 26.0212 20.0302 34.7126 in (null):N-9999 (5) and CE2(86) at 25.089 20.069 36.7108 in (null):W-9999 (9) other bump:2.6151 Ang ND2(49) at 26.6644 18.5152 36.1978 in (null):N-9999 (5) and CD2(85) at 25.8333 20.3316 37.8856 in (null):W-9999 (9) other bump:3.04445 Ang CG(48) at 26.9019 19.3392 35.2132 in (null):N-9999 (5) and CD2(85) at 25.8333 20.3316 37.8856 in (null):W-9999 (9) T0147_twice 60 :PRVVDGVGILR 1a4mA 87 :VEMKAKEGVVY Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.38788 Ang CB(29) at 27.6723 30.4187 45.0405 in (null):V-9999 (4) and CD1(62) at 28.6478 31.8603 46.6751 in (null):I-9999 (9) other bump:1.21122 Ang CG1(30) at 28.0235 31.7674 45.6414 in (null):V-9999 (4) and CD1(62) at 28.6478 31.8603 46.6751 in (null):I-9999 (9) other bump:2.78894 Ang CG2(31) at 28.7632 29.3924 45.3812 in (null):V-9999 (4) and CD1(62) at 28.6478 31.8603 46.6751 in (null):I-9999 (9) other bump:3.05736 Ang CB(29) at 27.6723 30.4187 45.0405 in (null):V-9999 (4) and CG1(60) at 27.5635 32.9934 46.6856 in (null):I-9999 (9) other bump:1.67481 Ang CG1(30) at 28.0235 31.7674 45.6414 in (null):V-9999 (4) and CG1(60) at 27.5635 32.9934 46.6856 in (null):I-9999 (9) T0147_twice 72 :IEANIKN 1a4mA 98 :VEVRYSP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.45576 Ang O(30) at 38.737 24.68 44.331 in (null):N-9999 (4) and CG2(36) at 38.1992 23.2147 42.4351 in (null):I-9999 (5) T0147_twice 101 :HEPVFAPHDK 1a4mA 105 :HLLANSKVDP Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.67569 Ang CB(30) at 44.5369 16.1465 34.5421 in (null):V-9999 (4) and CE1(64) at 46.8591 17.3454 33.9687 in (null):H-9999 (8) other bump:2.35149 Ang CG1(31) at 45.2578 15.7786 33.2544 in (null):V-9999 (4) and CE1(64) at 46.8591 17.3454 33.9687 in (null):H-9999 (8) other bump:2.56822 Ang CG2(32) at 44.4023 17.6558 34.6494 in (null):V-9999 (4) and CE1(64) at 46.8591 17.3454 33.9687 in (null):H-9999 (8) other bump:2.72319 Ang CB(30) at 44.5369 16.1465 34.5421 in (null):V-9999 (4) and ND1(63) at 47.1941 16.0724 33.9509 in (null):H-9999 (8) other bump:2.07861 Ang CG1(31) at 45.2578 15.7786 33.2544 in (null):V-9999 (4) and ND1(63) at 47.1941 16.0724 33.9509 in (null):H-9999 (8) other bump:2.47374 Ang CD2(6) at 49.091 18.75 37.167 in (null):H-9999 (1) and CD2(62) at 48.1213 16.9955 35.7176 in (null):H-9999 (8) other bump:2.72348 Ang CG1(31) at 45.2578 15.7786 33.2544 in (null):V-9999 (4) and O(49) at 47.257 15.224 31.49 in (null):A-9999 (6) neighbor-bump: 1.86258 Ang C(20) at 42.224 15.686 39.429 in (null):E-9999 (2) and CD(25) at 42.0841 17.5309 39.2144 in (null):P-9999 (3) self-bump: 1.33529 Ang N(21) at 41.948 16.483 38.398 in (null):P-9999 (3) and CD(25) at 42.0841 17.5309 39.2144 in (null):P-9999 (3) neighbor-bump: 2.30847 Ang CA(13) at 43.471 16.011 40.261 in (null):E-9999 (2) and CD(25) at 42.0841 17.5309 39.2144 in (null):P-9999 (3) neighbor-bump: 2.80035 Ang CB(14) at 43.0721 16.7283 41.7087 in (null):E-9999 (2) and CD(25) at 42.0841 17.5309 39.2144 in (null):P-9999 (3) neighbor-bump: 2.33434 Ang N(12) at 44.317 17.052 39.698 in (null):E-9999 (2) and CD(25) at 42.0841 17.5309 39.2144 in (null):P-9999 (3) self-bump: 2.20206 Ang N(21) at 41.948 16.483 38.398 in (null):P-9999 (3) and CG(24) at 40.7253 18.1892 39.0637 in (null):P-9999 (3) T0147_twice 111 :ATNTQAMIATIASG 1a4mA 195 :PGHVEAYEGAVKNG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0147_twice 126 :VHIISHPGNPK 1a4mA 209 :IHRTVHAGEVG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.17165 Ang CB(64) at 43.9646 24.4481 59.062 in (null):N-9999 (9) and CD(74) at 44.99 22.6828 59.8025 in (null):P-9999 (10) neighbor-bump: 1.79377 Ang C(69) at 44.89 23.884 61.131 in (null):N-9999 (9) and CD(74) at 44.99 22.6828 59.8025 in (null):P-9999 (10) neighbor-bump: 2.29021 Ang CA(63) at 44.685 24.938 60.06 in (null):N-9999 (9) and CD(74) at 44.99 22.6828 59.8025 in (null):P-9999 (10) self-bump: 1.37982 Ang N(70) at 45.811 22.969 60.874 in (null):P-9999 (10) and CD(74) at 44.99 22.6828 59.8025 in (null):P-9999 (10) neighbor-bump: 2.83297 Ang C(69) at 44.89 23.884 61.131 in (null):N-9999 (9) and CG(73) at 44.5779 21.2569 60.1176 in (null):P-9999 (10) self-bump: 1.32477 Ang CA(63) at 44.685 24.938 60.06 in (null):N-9999 (9) and CB(64) at 43.9646 24.4481 59.062 in (null):N-9999 (9) neighbor-bump: 2.66713 Ang N(41) at 47.103 27.572 52.684 in (null):H-9999 (6) and CD(55) at 47.6673 28.566 55.0938 in (null):P-9999 (7) neighbor-bump: 2.35375 Ang CA(42) at 46.448 26.986 53.846 in (null):H-9999 (6) and CD(55) at 47.6673 28.566 55.0938 in (null):P-9999 (7) neighbor-bump: 1.71455 Ang C(50) at 47.569 26.871 54.855 in (null):H-9999 (6) and CD(55) at 47.6673 28.566 55.0938 in (null):P-9999 (7) other bump:1.93812 Ang O(39) at 47.073 29.626 53.584 in (null):S-9999 (5) and CD(55) at 47.6673 28.566 55.0938 in (null):P-9999 (7) other bump:2.45475 Ang C(40) at 47.398 28.871 52.673 in (null):S-9999 (5) and CD(55) at 47.6673 28.566 55.0938 in (null):P-9999 (7) T0147_twice 137 :YEIDVKAVAEAAAKHQVALEINNSS 1a4mA 241 :HTIEDEALYNRLLKENMHFEVCPWS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.74491 Ang OD1(166) at 34.2538 26.0068 56.9745 in (null):N-9999 (22) and CB(185) at 35.782 23.789 57.504 in (null):S-9999 (25) other bump:1.8837 Ang O(84) at 51.529 42.279 61.637 in (null):A-9999 (11) and CD2(109) at 52.7464 42.3406 60.2009 in (null):H-9999 (15) other bump:2.68774 Ang C(85) at 51.578 41.289 62.381 in (null):A-9999 (11) and CD2(109) at 52.7464 42.3406 60.2009 in (null):H-9999 (15) other bump:2.54488 Ang O(84) at 51.529 42.279 61.637 in (null):A-9999 (11) and CG(108) at 52.1274 43.1721 59.3303 in (null):H-9999 (15) other bump:2.82154 Ang CA(3) at 46.925 28.39 65.122 in (null):Y-9999 (1) and OD2(36) at 48.332 27.832 67.5032 in (null):D-9999 (4) other bump:2.25318 Ang O(12) at 48.743 29.576 66.137 in (null):Y-9999 (1) and OD2(36) at 48.332 27.832 67.5032 in (null):D-9999 (4) other bump:2.88736 Ang C(13) at 47.882 29.578 65.248 in (null):Y-9999 (1) and OD2(36) at 48.332 27.832 67.5032 in (null):D-9999 (4) T0147_twice 168 :GSEDNCR 1a4mA 266 :SYLTGAW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.65733 Ang CG(24) at 40.0371 20.6314 60.1513 in (null):D-9999 (4) and SG(40) at 42.1789 22.0655 60.7975 in (null):C-9999 (6) other bump:2.67295 Ang OD1(25) at 39.8279 20.9173 61.3445 in (null):D-9999 (4) and SG(40) at 42.1789 22.0655 60.7975 in (null):C-9999 (6) other bump:2.3591 Ang OD2(26) at 40.5153 21.3969 59.2643 in (null):D-9999 (4) and SG(40) at 42.1789 22.0655 60.7975 in (null):C-9999 (6) T0147_twice 175 :EVAAAVRDAGGWVALGSDSHTAFTMGEFEECLKILDAVDFPPERILNVSPRRLLN 1a4mA 278 :HAVVRFKNDKANYSLNTDDPLIFKSTLDTDYQMTKKDMGFTEEEFKRLNINAAKS Fragment has 61 clashes (null) has 61 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 57 residues other bump:1.9547 Ang O(396) at 37.316 40.156 49.989 in (null):R-9999 (52) and OD1(419) at 38.8058 39.9176 51.2318 in (null):N-9999 (55) other bump:2.39018 Ang C(397) at 36.551 40.606 50.838 in (null):R-9999 (52) and OD1(419) at 38.8058 39.9176 51.2318 in (null):N-9999 (55) other bump:2.47922 Ang CA(388) at 36.546 40.034 52.245 in (null):R-9999 (52) and OD1(419) at 38.8058 39.9176 51.2318 in (null):N-9999 (55) other bump:2.97117 Ang NE1(80) at 40.138 41.4918 54.304 in (null):W-9999 (12) and CG(417) at 39.8802 39.8372 51.8496 in (null):N-9999 (55) other bump:2.96002 Ang NE1(80) at 40.138 41.4918 54.304 in (null):W-9999 (12) and CB(416) at 41.0537 40.7604 51.5858 in (null):N-9999 (55) other bump:2.84116 Ang CZ2(81) at 40.0544 43.7983 53.3142 in (null):W-9999 (12) and CB(408) at 38.8241 45.3356 51.266 in (null):L-9999 (54) other bump:2.79741 Ang CH2(83) at 40.3793 45.1065 53.5799 in (null):W-9999 (12) and CB(408) at 38.8241 45.3356 51.266 in (null):L-9999 (54) other bump:2.6312 Ang OG(366) at 30.1719 39.5663 54.5179 in (null):S-9999 (49) and NH2(395) at 31.6203 37.5439 55.3754 in (null):R-9999 (52) other bump:2.56889 Ang CA(94) at 36.056 36.163 56.092 in (null):A-9999 (14) and NH1(394) at 33.5589 36.7266 56.307 in (null):R-9999 (52) other bump:2.69503 Ang C(97) at 35.47 34.853 56.624 in (null):A-9999 (14) and NH1(394) at 33.5589 36.7266 56.307 in (null):R-9999 (52) other bump:2.20011 Ang N(98) at 34.196 34.621 56.337 in (null):L-9999 (15) and NH1(394) at 33.5589 36.7266 56.307 in (null):R-9999 (52) other bump:2.34073 Ang CG1(359) at 34.1297 38.425 57.8132 in (null):V-9999 (48) and NH1(394) at 33.5589 36.7266 56.307 in (null):R-9999 (52) other bump:3.12051 Ang CG1(359) at 34.1297 38.425 57.8132 in (null):V-9999 (48) and CZ(393) at 32.8883 37.1643 55.2428 in (null):R-9999 (52) other bump:1.95121 Ang CB(95) at 36.392 36.023 54.6 in (null):A-9999 (14) and CD(391) at 34.8343 36.835 53.7507 in (null):R-9999 (52) other bump:2.72506 Ang CA(94) at 36.056 36.163 56.092 in (null):A-9999 (14) and CD(391) at 34.8343 36.835 53.7507 in (null):R-9999 (52) other bump:2.32416 Ang CB(95) at 36.392 36.023 54.6 in (null):A-9999 (14) and CG(390) at 35.7614 38.0506 53.655 in (null):R-9999 (52) other bump:3.09655 Ang CA(94) at 36.056 36.163 56.092 in (null):A-9999 (14) and CG(390) at 35.7614 38.0506 53.655 in (null):R-9999 (52) other bump:2.68421 Ang CE2(78) at 40.3455 42.8454 54.2982 in (null):W-9999 (12) and O(385) at 38.224 42.211 52.781 in (null):R-9999 (51) other bump:2.54951 Ang NE1(80) at 40.138 41.4918 54.304 in (null):W-9999 (12) and O(385) at 38.224 42.211 52.781 in (null):R-9999 (51) other bump:2.48076 Ang CZ2(81) at 40.0544 43.7983 53.3142 in (null):W-9999 (12) and O(385) at 38.224 42.211 52.781 in (null):R-9999 (51) other bump:2.12717 Ang CG(351) at 33.9153 45.1292 60.0524 in (null):N-9999 (47) and NH2(384) at 35.2984 43.6037 60.586 in (null):R-9999 (51) other bump:1.0264 Ang ND2(352) at 34.762 44.4561 60.7838 in (null):N-9999 (47) and NH2(384) at 35.2984 43.6037 60.586 in (null):R-9999 (51) other bump:2.36149 Ang ND2(352) at 34.762 44.4561 60.7838 in (null):N-9999 (47) and NH1(383) at 36.7042 45.1395 59.6273 in (null):R-9999 (51) other bump:2.71506 Ang CG(351) at 33.9153 45.1292 60.0524 in (null):N-9999 (47) and CZ(382) at 36.3099 43.8808 59.7716 in (null):R-9999 (51) other bump:1.9369 Ang ND2(352) at 34.762 44.4561 60.7838 in (null):N-9999 (47) and CZ(382) at 36.3099 43.8808 59.7716 in (null):R-9999 (51) other bump:3.26916 Ang CA(73) at 40.666 41.224 58.676 in (null):W-9999 (12) and CD(380) at 38.0318 43.0918 58.1666 in (null):R-9999 (51) other bump:1.47877 Ang O(346) at 30.808 43.8 56.048 in (null):L-9999 (46) and CD(373) at 31.7523 43.6641 54.9182 in (null):P-9999 (50) other bump:2.69407 Ang C(347) at 30.198 43.717 57.118 in (null):L-9999 (46) and CD(373) at 31.7523 43.6641 54.9182 in (null):P-9999 (50) other bump:2.13906 Ang O(346) at 30.808 43.8 56.048 in (null):L-9999 (46) and CG(372) at 31.5739 45.1264 54.5548 in (null):P-9999 (50) other bump:3.23256 Ang C(347) at 30.198 43.717 57.118 in (null):L-9999 (46) and CG(372) at 31.5739 45.1264 54.5548 in (null):P-9999 (50) other bump:3.0937 Ang CD(325) at 32.9889 41.0109 62.612 in (null):R-9999 (44) and CG2(360) at 33.8052 39.7626 59.9016 in (null):V-9999 (48) other bump:2.39623 Ang NE(326) at 34.1153 40.1531 62.2454 in (null):R-9999 (44) and CG2(360) at 33.8052 39.7626 59.9016 in (null):V-9999 (48) other bump:1.24488 Ang CZ(327) at 34.3091 39.6405 61.0334 in (null):R-9999 (44) and CG2(360) at 33.8052 39.7626 59.9016 in (null):V-9999 (48) other bump:0.401195 Ang NH1(328) at 33.4545 39.8895 60.0492 in (null):R-9999 (44) and CG2(360) at 33.8052 39.7626 59.9016 in (null):V-9999 (48) other bump:2.01113 Ang NH2(329) at 35.3728 38.8792 60.8 in (null):R-9999 (44) and CG2(360) at 33.8052 39.7626 59.9016 in (null):V-9999 (48) other bump:2.75685 Ang NH1(328) at 33.4545 39.8895 60.0492 in (null):R-9999 (44) and CG1(359) at 34.1297 38.425 57.8132 in (null):V-9999 (48) other bump:2.75923 Ang CZ(327) at 34.3091 39.6405 61.0334 in (null):R-9999 (44) and CB(358) at 33.4123 39.6149 58.4241 in (null):V-9999 (48) other bump:1.64872 Ang NH1(328) at 33.4545 39.8895 60.0492 in (null):R-9999 (44) and CB(358) at 33.4123 39.6149 58.4241 in (null):V-9999 (48) other bump:2.65402 Ang NH1(328) at 33.4545 39.8895 60.0492 in (null):R-9999 (44) and CA(357) at 33.784 40.962 57.644 in (null):V-9999 (48) other bump:2.19789 Ang CD1(255) at 24.4029 36.3905 65.5428 in (null):L-9999 (35) and O(296) at 25.967 37.819 66.129 in (null):F-9999 (40) other bump:3.0407 Ang CG2(247) at 30.4078 34.1181 63.9356 in (null):I-9999 (34) and CZ(295) at 32.924 35.68 64.625 in (null):F-9999 (40) other bump:2.85201 Ang CG2(247) at 30.4078 34.1181 63.9356 in (null):I-9999 (34) and CE2(294) at 32.274 36.234 63.518 in (null):F-9999 (40) other bump:2.50099 Ang CG1(275) at 31.3947 33.5561 67.1704 in (null):V-9999 (38) and CE1(293) at 32.215 35.492 65.816 in (null):F-9999 (40) other bump:2.5508 Ang CG2(247) at 30.4078 34.1181 63.9356 in (null):I-9999 (34) and CD2(292) at 30.92 36.595 63.605 in (null):F-9999 (40) other bump:2.6825 Ang CG1(275) at 31.3947 33.5561 67.1704 in (null):V-9999 (38) and CD1(291) at 30.865 35.853 65.89 in (null):F-9999 (40) other bump:2.65301 Ang CG2(247) at 30.4078 34.1181 63.9356 in (null):I-9999 (34) and CD1(291) at 30.865 35.853 65.89 in (null):F-9999 (40) other bump:2.45062 Ang CG2(247) at 30.4078 34.1181 63.9356 in (null):I-9999 (34) and CG(290) at 30.205 36.406 64.79 in (null):F-9999 (40) neighbor-bump: 2.64736 Ang C(271) at 28.489 31.604 69.268 in (null):A-9999 (37) and CB(274) at 30.5966 32.5421 67.9693 in (null):V-9999 (38) other bump:2.38044 Ang O(249) at 28.585 33.728 66.447 in (null):I-9999 (34) and O(270) at 28.22 32.196 68.232 in (null):A-9999 (37) other bump:2.7662 Ang C(250) at 28.21 32.948 65.57 in (null):I-9999 (34) and O(270) at 28.22 32.196 68.232 in (null):A-9999 (37) other bump:2.89411 Ang CZ(199) at 20.305 30.7846 59.3856 in (null):F-9999 (28) and CD2(231) at 21.4755 30.6737 62.0301 in (null):L-9999 (32) other bump:2.48977 Ang CE2(198) at 20.368 29.4292 59.0537 in (null):F-9999 (28) and CD1(230) at 21.5011 28.3957 61.0151 in (null):L-9999 (32) other bump:2.50916 Ang CA(171) at 26.673 22.252 55.071 in (null):M-9999 (25) and OE1(207) at 27.1689 22.9692 57.4238 in (null):E-9999 (29) other bump:1.89543 Ang CB(172) at 28.0201 22.8304 55.7359 in (null):M-9999 (25) and OE1(207) at 27.1689 22.9692 57.4238 in (null):E-9999 (29) other bump:3.02775 Ang CB(172) at 28.0201 22.8304 55.7359 in (null):M-9999 (25) and CD(206) at 27.2791 23.2425 58.6425 in (null):E-9999 (29) other bump:1.79386 Ang CB(154) at 31.246 20.213 55.996 in (null):F-9999 (23) and CE(175) at 31.0581 21.9499 56.4033 in (null):M-9999 (25) other bump:2.48001 Ang CG(155) at 32.749 20.173 56.037 in (null):F-9999 (23) and CE(175) at 31.0581 21.9499 56.4033 in (null):M-9999 (25) other bump:2.70746 Ang CD2(157) at 33.497 21.207 55.492 in (null):F-9999 (23) and CE(175) at 31.0581 21.9499 56.4033 in (null):M-9999 (25) neighbor-bump: 2.26773 Ang O(161) at 28.57 19.422 56.779 in (null):F-9999 (23) and OG1(167) at 27.7579 17.3047 56.7855 in (null):T-9999 (24) neighbor-bump: 2.35272 Ang C(162) at 29.09 18.955 55.767 in (null):F-9999 (23) and OG1(167) at 27.7579 17.3047 56.7855 in (null):T-9999 (24) other bump:2.39012 Ang CG1(36) at 39.4707 37.6729 63.0425 in (null):V-9999 (6) and CG2(90) at 39.1697 37.5849 60.673 in (null):V-9999 (13) T0147_twice 410 :SRKGSEDNCREVAAAVRDA 1a4mA 333 :SFLPEEEKKELLERLYREY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues Number of specific fragments= 13 total=490 Number of alignments=40 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1ejrC/T0147_twice-1ejrC-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1ejrC read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1ejrC/T0147_twice-1ejrC-2track-protein-STR-local-adpstyle5.pw.a2m.gz # adding 1ejrC to template set 1ejrC:Bad short name: CX for alphabet: pdb_atoms Bad short name: OX1 for alphabet: pdb_atoms Bad short name: OX2 for alphabet: pdb_atoms # found chain 1ejrC in template set T0147_twice 111 :ATNTQAMIATIASGNVHI 1ejrC 1174 :PWYISRMLQAADSLPVNI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0147_twice 130 :SHPGNPK 1ejrC 1192 :GLLGKGN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues self-bump: 1.38237 Ang N(37) at 62.48 100.277 61.398 in (null):P-9999 (6) and CD(41) at 62.6903 100.366 62.7614 in (null):P-9999 (6) T0147_twice 141 :VKAVAEAAAKHQVA 1ejrC 1202 :PDALREQVAAGVIG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:3.13599 Ang CG(81) at 60.3547 93.7327 64.9712 in (null):Q-9999 (12) and C(98) at 59.01 96.429 65.841 in (null):A-9999 (14) other bump:2.93746 Ang CD(82) at 61.1299 94.9347 64.462 in (null):Q-9999 (12) and C(98) at 59.01 96.429 65.841 in (null):A-9999 (14) other bump:2.10221 Ang CG(81) at 60.3547 93.7327 64.9712 in (null):Q-9999 (12) and O(97) at 59.932 95.749 65.39 in (null):A-9999 (14) other bump:1.72026 Ang CD(82) at 61.1299 94.9347 64.462 in (null):Q-9999 (12) and O(97) at 59.932 95.749 65.39 in (null):A-9999 (14) other bump:2.98217 Ang CG(81) at 60.3547 93.7327 64.9712 in (null):Q-9999 (12) and N(94) at 58.207 94.405 66.928 in (null):A-9999 (14) neighbor-bump: 2.41975 Ang C(67) at 61.227 86.93 61.843 in (null):K-9999 (10) and CD2(72) at 61.9493 84.7544 62.6177 in (null):H-9999 (11) neighbor-bump: 1.36008 Ang O(66) at 61.974 86.086 62.342 in (null):K-9999 (10) and CD2(72) at 61.9493 84.7544 62.6177 in (null):H-9999 (11) neighbor-bump: 2.60844 Ang C(67) at 61.227 86.93 61.843 in (null):K-9999 (10) and CG(71) at 61.9683 85.3904 63.8138 in (null):H-9999 (11) neighbor-bump: 1.6279 Ang O(66) at 61.974 86.086 62.342 in (null):K-9999 (10) and CG(71) at 61.9683 85.3904 63.8138 in (null):H-9999 (11) neighbor-bump: 2.43506 Ang C(67) at 61.227 86.93 61.843 in (null):K-9999 (10) and CB(70) at 61.9807 86.8716 64.1577 in (null):H-9999 (11) neighbor-bump: 1.97839 Ang O(66) at 61.974 86.086 62.342 in (null):K-9999 (10) and CB(70) at 61.9807 86.8716 64.1577 in (null):H-9999 (11) T0147_twice 158 :NNSS 1ejrC 1219 :HEAW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 167 :KGSEDNCREVAAAVRDAGGWVALGSDSHTAFTMG 1ejrC 1223 :GATPAAIDCALTVADEMDIQVALHSDTLNESGFV Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.17885 Ang OE2(27) at 57.5888 115.772 58.92 in (null):E-9999 (4) and CG2(227) at 57.7071 117.169 60.588 in (null):T-9999 (32) other bump:3.00359 Ang OD2(182) at 63.075 115.856 60.749 in (null):D-9999 (26) and CD1(217) at 63.6102 115.182 57.8713 in (null):F-9999 (31) neighbor-bump: 1.84078 Ang O(199) at 65.812 120.537 62.553 in (null):H-9999 (28) and OG1(205) at 64.6085 121.562 63.4961 in (null):T-9999 (29) neighbor-bump: 2.31135 Ang C(200) at 65.555 119.483 63.144 in (null):H-9999 (28) and OG1(205) at 64.6085 121.562 63.4961 in (null):T-9999 (29) other bump:2.15642 Ang CZ3(143) at 58.5625 100.536 70.3936 in (null):W-9999 (20) and CB(156) at 59.855 102.074 69.609 in (null):A-9999 (22) other bump:2.22573 Ang CH2(144) at 58.2902 101.692 71.1451 in (null):W-9999 (20) and CB(156) at 59.855 102.074 69.609 in (null):A-9999 (22) other bump:2.7413 Ang CZ3(143) at 58.5625 100.536 70.3936 in (null):W-9999 (20) and CA(155) at 58.737 102.872 68.969 in (null):A-9999 (22) other bump:2.51533 Ang CH2(144) at 58.2902 101.692 71.1451 in (null):W-9999 (20) and CA(155) at 58.737 102.872 68.969 in (null):A-9999 (22) other bump:2.89472 Ang CZ3(143) at 58.5625 100.536 70.3936 in (null):W-9999 (20) and N(154) at 58.036 102.058 67.988 in (null):A-9999 (22) other bump:3.18837 Ang CH2(144) at 58.2902 101.692 71.1451 in (null):W-9999 (20) and N(154) at 58.036 102.058 67.988 in (null):A-9999 (22) neighbor-bump: 3.26331 Ang CE3(140) at 57.5537 99.6278 70.0805 in (null):W-9999 (20) and C(153) at 56.713 101.956 67.954 in (null):V-9999 (21) neighbor-bump: 2.83515 Ang CE2(139) at 56.0097 101.065 71.2681 in (null):W-9999 (20) and O(152) at 55.973 102.461 68.801 in (null):V-9999 (21) other bump:2.20948 Ang CG1(97) at 51.9861 98.7583 64.7456 in (null):V-9999 (14) and O(131) at 52.441 97.23 66.275 in (null):G-9999 (19) other bump:2.25753 Ang O(87) at 49.83 98.836 58.62 in (null):A-9999 (12) and OD2(117) at 49.1716 97.2543 57.1499 in (null):D-9999 (16) T0147_twice 217 :ERILNVSPRRLLNFLESRG 1ejrC 1257 :EDTLAAIGGRTIHTFHTEG Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:3.06845 Ang CD1(116) at 58.7239 110.37 72.8835 in (null):F-9999 (14) and CA(141) at 59.531 111.724 75.516 in (null):S-9999 (17) other bump:2.95025 Ang CE1(118) at 59.5749 111.457 72.5782 in (null):F-9999 (14) and CA(141) at 59.531 111.724 75.516 in (null):S-9999 (17) other bump:2.54419 Ang CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) and NH2(85) at 50.095 107.056 59.749 in (null):R-9999 (10) other bump:2.98544 Ang CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) and NE(82) at 48.79 105.906 61.249 in (null):R-9999 (10) neighbor-bump: 2.2916 Ang O(57) at 49.177 108.145 63.028 in (null):S-9999 (7) and CD(63) at 49.9681 110.037 62.0054 in (null):P-9999 (8) self-bump: 1.30297 Ang N(59) at 48.936 110.367 62.729 in (null):P-9999 (8) and CD(63) at 49.9681 110.037 62.0054 in (null):P-9999 (8) other bump:1.98134 Ang O(51) at 50.969 109.676 60.334 in (null):V-9999 (6) and CD(63) at 49.9681 110.037 62.0054 in (null):P-9999 (8) neighbor-bump: 1.71659 Ang CA(54) at 51.16 109.494 63.115 in (null):S-9999 (7) and CD(63) at 49.9681 110.037 62.0054 in (null):P-9999 (8) neighbor-bump: 1.24773 Ang C(58) at 49.661 109.272 62.942 in (null):S-9999 (7) and CD(63) at 49.9681 110.037 62.0054 in (null):P-9999 (8) other bump:3.233 Ang CA(47) at 51.964 111.866 60.238 in (null):V-9999 (6) and CD(63) at 49.9681 110.037 62.0054 in (null):P-9999 (8) other bump:1.91345 Ang C(52) at 51.464 110.614 60.961 in (null):V-9999 (6) and CD(63) at 49.9681 110.037 62.0054 in (null):P-9999 (8) neighbor-bump: 1.74832 Ang N(53) at 51.595 110.613 62.285 in (null):S-9999 (7) and CD(63) at 49.9681 110.037 62.0054 in (null):P-9999 (8) neighbor-bump: 1.79667 Ang O(57) at 49.177 108.145 63.028 in (null):S-9999 (7) and CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) self-bump: 2.06935 Ang N(59) at 48.936 110.367 62.729 in (null):P-9999 (8) and CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) other bump:2.13309 Ang O(51) at 50.969 109.676 60.334 in (null):V-9999 (6) and CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) neighbor-bump: 2.62313 Ang CA(54) at 51.16 109.494 63.115 in (null):S-9999 (7) and CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) neighbor-bump: 1.66033 Ang C(58) at 49.661 109.272 62.942 in (null):S-9999 (7) and CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) other bump:2.82267 Ang C(52) at 51.464 110.614 60.961 in (null):V-9999 (6) and CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) neighbor-bump: 3.03249 Ang N(53) at 51.595 110.613 62.285 in (null):S-9999 (7) and CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) neighbor-bump: 2.52339 Ang C(58) at 49.661 109.272 62.942 in (null):S-9999 (7) and CB(61) at 47.919 109.34 61.1177 in (null):P-9999 (8) T0147_twice 281 :AITDHGPDMEDAPHHWHFINMRIWPRVVD 1ejrC 1276 :AGGGHAPDIITACAHPNILPSSTNPTLPY Fragment has 49 clashes (null) has 49 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues neighbor-bump: 2.56674 Ang CG1(236) at 65.3053 113.831 90.7446 in (null):V-9999 (28) and N(240) at 66.127 114.57 88.428 in (null):D-9999 (29) neighbor-bump: 2.57014 Ang CG1(229) at 64.0871 110.282 88.1465 in (null):V-9999 (27) and CA(234) at 65.732 112.184 88.677 in (null):V-9999 (28) neighbor-bump: 2.97326 Ang CG2(230) at 63.8224 112.054 86.4017 in (null):V-9999 (27) and CA(234) at 65.732 112.184 88.677 in (null):V-9999 (28) neighbor-bump: 2.80417 Ang CB(228) at 64.4144 110.672 86.7169 in (null):V-9999 (27) and CA(234) at 65.732 112.184 88.677 in (null):V-9999 (28) neighbor-bump: 2.52541 Ang CG1(229) at 64.0871 110.282 88.1465 in (null):V-9999 (27) and N(233) at 66.48 110.937 88.618 in (null):V-9999 (28) self-bump: 2.49298 Ang CG1(229) at 64.0871 110.282 88.1465 in (null):V-9999 (27) and C(232) at 66.509 110.083 87.59 in (null):V-9999 (27) self-bump: 1.33152 Ang CA(227) at 65.675 110.452 86.349 in (null):V-9999 (27) and CB(228) at 64.4144 110.672 86.7169 in (null):V-9999 (27) other bump:2.23519 Ang CB(4) at 67.691 114.802 77.41 in (null):A-9999 (1) and NH1(222) at 67.4699 116.361 78.9968 in (null):R-9999 (26) other bump:2.43964 Ang CB(9) at 66.6272 110.28 75.5243 in (null):I-9999 (2) and CD1(191) at 67.4695 109.107 77.491 in (null):I-9999 (23) other bump:1.38443 Ang CG1(10) at 67.1791 110.34 76.9303 in (null):I-9999 (2) and CD1(191) at 67.4695 109.107 77.491 in (null):I-9999 (23) other bump:2.6436 Ang CG2(11) at 66.6346 108.85 74.9959 in (null):I-9999 (2) and CD1(191) at 67.4695 109.107 77.491 in (null):I-9999 (23) other bump:1.55636 Ang CD1(12) at 66.2343 109.879 78.04 in (null):I-9999 (2) and CD1(191) at 67.4695 109.107 77.491 in (null):I-9999 (23) other bump:2.41515 Ang CG1(10) at 67.1791 110.34 76.9303 in (null):I-9999 (2) and CG1(189) at 66.3226 108.695 78.4781 in (null):I-9999 (23) other bump:1.26521 Ang CD1(12) at 66.2343 109.879 78.04 in (null):I-9999 (2) and CG1(189) at 66.3226 108.695 78.4781 in (null):I-9999 (23) other bump:2.7139 Ang CD1(12) at 66.2343 109.879 78.04 in (null):I-9999 (2) and CB(188) at 65.947 107.212 78.4521 in (null):I-9999 (23) other bump:2.69237 Ang CA(90) at 52.035 113.051 76.37 in (null):P-9999 (13) and ND2(163) at 53.1335 110.668 75.7684 in (null):N-9999 (20) neighbor-bump: 2.6456 Ang NE2(137) at 48.9129 110.629 68.3966 in (null):H-9999 (17) and CZ(148) at 51.4315 111.353 68.7607 in (null):F-9999 (18) neighbor-bump: 2.8999 Ang NE2(137) at 48.9129 110.629 68.3966 in (null):H-9999 (17) and CE2(147) at 50.9561 112.074 69.8621 in (null):F-9999 (18) other bump:2.932 Ang CB(108) at 48.325 112.662 71.741 in (null):H-9999 (15) and CD2(145) at 50.9241 111.442 71.1464 in (null):F-9999 (18) neighbor-bump: 2.47073 Ang CA(85) at 53.295 114.252 72.96 in (null):A-9999 (12) and CD(93) at 53.9797 114.17 75.3325 in (null):P-9999 (13) neighbor-bump: 2.13098 Ang C(88) at 52.433 113.548 74.005 in (null):A-9999 (12) and CD(93) at 53.9797 114.17 75.3325 in (null):P-9999 (13) self-bump: 1.29231 Ang N(89) at 52.776 113.702 75.283 in (null):P-9999 (13) and CD(93) at 53.9797 114.17 75.3325 in (null):P-9999 (13) other bump:2.32168 Ang O(74) at 55.152 116.005 76.137 in (null):E-9999 (10) and CD(93) at 53.9797 114.17 75.3325 in (null):P-9999 (13) other bump:2.86591 Ang C(83) at 53.214 116.511 73.868 in (null):D-9999 (11) and CD(93) at 53.9797 114.17 75.3325 in (null):P-9999 (13) neighbor-bump: 2.29885 Ang N(84) at 53.927 115.475 73.441 in (null):A-9999 (12) and CD(93) at 53.9797 114.17 75.3325 in (null):P-9999 (13) other bump:3.13107 Ang C(75) at 55.9 116.642 75.39 in (null):E-9999 (10) and CD(93) at 53.9797 114.17 75.3325 in (null):P-9999 (13) self-bump: 2.16454 Ang N(89) at 52.776 113.702 75.283 in (null):P-9999 (13) and CG(92) at 54.3992 113.706 76.715 in (null):P-9999 (13) other bump:2.48748 Ang O(74) at 55.152 116.005 76.137 in (null):E-9999 (10) and CG(92) at 54.3992 113.706 76.715 in (null):P-9999 (13) other bump:1.77046 Ang CA(23) at 63.232 114.115 69.614 in (null):D-9999 (4) and CE(64) at 62.6357 114.594 71.2108 in (null):M-9999 (9) other bump:1.25777 Ang CB(24) at 62.2264 113.585 70.5814 in (null):D-9999 (4) and CE(64) at 62.6357 114.594 71.2108 in (null):M-9999 (9) other bump:1.02837 Ang CG(25) at 62.5518 113.959 72.0153 in (null):D-9999 (4) and CE(64) at 62.6357 114.594 71.2108 in (null):M-9999 (9) other bump:1.3081 Ang OD1(26) at 63.3805 114.877 72.2484 in (null):D-9999 (4) and CE(64) at 62.6357 114.594 71.2108 in (null):M-9999 (9) other bump:2.24609 Ang OD2(27) at 61.9982 113.301 72.9335 in (null):D-9999 (4) and CE(64) at 62.6357 114.594 71.2108 in (null):M-9999 (9) other bump:2.24533 Ang C(29) at 63.183 115.589 69.274 in (null):D-9999 (4) and CE(64) at 62.6357 114.594 71.2108 in (null):M-9999 (9) other bump:2.78514 Ang C(21) at 64.801 112.861 70.953 in (null):T-9999 (3) and CE(64) at 62.6357 114.594 71.2108 in (null):M-9999 (9) other bump:2.49714 Ang N(22) at 64.578 113.681 69.934 in (null):D-9999 (4) and CE(64) at 62.6357 114.594 71.2108 in (null):M-9999 (9) other bump:2.74362 Ang O(20) at 63.897 112.394 71.651 in (null):T-9999 (3) and SD(63) at 61.3602 113.439 71.6621 in (null):M-9999 (9) other bump:2.85578 Ang CA(23) at 63.232 114.115 69.614 in (null):D-9999 (4) and SD(63) at 61.3602 113.439 71.6621 in (null):M-9999 (9) other bump:1.39263 Ang CB(24) at 62.2264 113.585 70.5814 in (null):D-9999 (4) and SD(63) at 61.3602 113.439 71.6621 in (null):M-9999 (9) other bump:1.34702 Ang CG(25) at 62.5518 113.959 72.0153 in (null):D-9999 (4) and SD(63) at 61.3602 113.439 71.6621 in (null):M-9999 (9) other bump:2.5479 Ang OD1(26) at 63.3805 114.877 72.2484 in (null):D-9999 (4) and SD(63) at 61.3602 113.439 71.6621 in (null):M-9999 (9) other bump:1.42914 Ang OD2(27) at 61.9982 113.301 72.9335 in (null):D-9999 (4) and SD(63) at 61.3602 113.439 71.6621 in (null):M-9999 (9) other bump:2.59271 Ang CB(24) at 62.2264 113.585 70.5814 in (null):D-9999 (4) and CG(62) at 59.8523 114.365 71.2722 in (null):M-9999 (9) other bump:2.82917 Ang CG(25) at 62.5518 113.959 72.0153 in (null):D-9999 (4) and CG(62) at 59.8523 114.365 71.2722 in (null):M-9999 (9) neighbor-bump: 2.09526 Ang O(20) at 63.897 112.394 71.651 in (null):T-9999 (3) and CG(25) at 62.5518 113.959 72.0153 in (null):D-9999 (4) neighbor-bump: 2.71883 Ang C(21) at 64.801 112.861 70.953 in (null):T-9999 (3) and CG(25) at 62.5518 113.959 72.0153 in (null):D-9999 (4) neighbor-bump: 2.31353 Ang O(20) at 63.897 112.394 71.651 in (null):T-9999 (3) and CB(24) at 62.2264 113.585 70.5814 in (null):D-9999 (4) neighbor-bump: 2.15551 Ang O(13) at 67.553 110.348 72.368 in (null):I-9999 (2) and CG2(18) at 68.1644 111.001 70.4068 in (null):T-9999 (3) neighbor-bump: 2.83044 Ang C(14) at 67.256 111.324 73.068 in (null):I-9999 (2) and CG2(18) at 68.1644 111.001 70.4068 in (null):T-9999 (3) T0147_twice 381 :KYEIDVKAVAEA 1ejrC 1305 :TLNTIDEHLDML Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.65624 Ang C(1) at 67.848 115.993 89.379 in (null):G-9999 (0) and CD1(37) at 69.238 115.28 87.2308 in (null):I-9999 (4) other bump:2.04018 Ang N(2) at 69.156 116.023 89.129 in (null):K-9999 (1) and CD1(37) at 69.238 115.28 87.2308 in (null):I-9999 (4) other bump:2.9632 Ang N(2) at 69.156 116.023 89.129 in (null):K-9999 (1) and CG1(35) at 70.6736 115.03 86.7856 in (null):I-9999 (4) T0147_twice 408 :LH 1ejrC 1332 :FA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0147_twice 411 :RKGSEDNCREVAAAVRDAGGWVALGSDSHTAFTMGEF 1ejrC 1334 :ESRIRRETIAAEDVLHDLGAFSLTSSDSQAMGRVGEV Fragment has 97 clashes (null) has 97 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:1.62939 Ang O(176) at 60.741 101.911 81.62 in (null):L-9999 (24) and CZ(271) at 61.3098 101.585 83.1117 in (null):F-9999 (37) other bump:2.72139 Ang CA(171) at 60.481 104.113 82.539 in (null):L-9999 (24) and CZ(271) at 61.3098 101.585 83.1117 in (null):F-9999 (37) other bump:2.43447 Ang CB(172) at 60.7379 103.751 84.0642 in (null):L-9999 (24) and CZ(271) at 61.3098 101.585 83.1117 in (null):F-9999 (37) other bump:1.95227 Ang C(177) at 61.247 103.025 81.795 in (null):L-9999 (24) and CZ(271) at 61.3098 101.585 83.1117 in (null):F-9999 (37) other bump:2.78086 Ang N(178) at 62.421 103.362 81.284 in (null):G-9999 (25) and CZ(271) at 61.3098 101.585 83.1117 in (null):F-9999 (37) other bump:1.94638 Ang O(176) at 60.741 101.911 81.62 in (null):L-9999 (24) and CE2(270) at 62.4578 102.091 82.5192 in (null):F-9999 (37) other bump:2.82789 Ang CA(171) at 60.481 104.113 82.539 in (null):L-9999 (24) and CE2(270) at 62.4578 102.091 82.5192 in (null):F-9999 (37) other bump:2.84627 Ang CB(172) at 60.7379 103.751 84.0642 in (null):L-9999 (24) and CE2(270) at 62.4578 102.091 82.5192 in (null):F-9999 (37) other bump:1.69206 Ang C(177) at 61.247 103.025 81.795 in (null):L-9999 (24) and CE2(270) at 62.4578 102.091 82.5192 in (null):F-9999 (37) other bump:1.77279 Ang N(178) at 62.421 103.362 81.284 in (null):G-9999 (25) and CE2(270) at 62.4578 102.091 82.5192 in (null):F-9999 (37) other bump:2.14142 Ang CA(179) at 63.223 102.405 80.544 in (null):G-9999 (25) and CE2(270) at 62.4578 102.091 82.5192 in (null):F-9999 (37) other bump:2.95318 Ang C(181) at 64.668 102.834 80.707 in (null):G-9999 (25) and CE2(270) at 62.4578 102.091 82.5192 in (null):F-9999 (37) other bump:3.04759 Ang C(177) at 61.247 103.025 81.795 in (null):L-9999 (24) and CD2(268) at 63.7125 101.701 83.0013 in (null):F-9999 (37) other bump:2.71608 Ang N(178) at 62.421 103.362 81.284 in (null):G-9999 (25) and CD2(268) at 63.7125 101.701 83.0013 in (null):F-9999 (37) other bump:2.60269 Ang CA(179) at 63.223 102.405 80.544 in (null):G-9999 (25) and CD2(268) at 63.7125 101.701 83.0013 in (null):F-9999 (37) other bump:2.73149 Ang C(181) at 64.668 102.834 80.707 in (null):G-9999 (25) and CD2(268) at 63.7125 101.701 83.0013 in (null):F-9999 (37) other bump:2.35394 Ang CB(184) at 67.856 101.192 80.501 in (null):S-9999 (26) and CE(247) at 69.3085 100.059 79.0353 in (null):M-9999 (34) other bump:1.46371 Ang OG(185) at 67.912 100.356 79.358 in (null):S-9999 (26) and CE(247) at 69.3085 100.059 79.0353 in (null):M-9999 (34) other bump:2.3569 Ang N(196) at 69.878 101.444 77.215 in (null):S-9999 (28) and CE(247) at 69.3085 100.059 79.0353 in (null):M-9999 (34) other bump:2.24654 Ang CE2(231) at 69.5546 101.42 77.2649 in (null):F-9999 (32) and CE(247) at 69.3085 100.059 79.0353 in (null):M-9999 (34) other bump:2.45206 Ang CD2(229) at 69.4488 102.385 78.2713 in (null):F-9999 (32) and CE(247) at 69.3085 100.059 79.0353 in (null):M-9999 (34) other bump:2.50827 Ang CA(197) at 71.154 100.801 77.507 in (null):S-9999 (28) and CE(247) at 69.3085 100.059 79.0353 in (null):M-9999 (34) other bump:2.30912 Ang CB(198) at 70.953 99.289 77.609 in (null):S-9999 (28) and CE(247) at 69.3085 100.059 79.0353 in (null):M-9999 (34) other bump:2.82057 Ang OG(185) at 67.912 100.356 79.358 in (null):S-9999 (26) and SD(246) at 69.9147 98.4774 78.7134 in (null):M-9999 (34) other bump:2.89665 Ang CA(197) at 71.154 100.801 77.507 in (null):S-9999 (28) and SD(246) at 69.9147 98.4774 78.7134 in (null):M-9999 (34) other bump:1.71947 Ang CB(198) at 70.953 99.289 77.609 in (null):S-9999 (28) and SD(246) at 69.9147 98.4774 78.7134 in (null):M-9999 (34) other bump:2.26782 Ang OG(199) at 70.246 98.784 76.491 in (null):S-9999 (28) and SD(246) at 69.9147 98.4774 78.7134 in (null):M-9999 (34) other bump:3.17586 Ang CA(197) at 71.154 100.801 77.507 in (null):S-9999 (28) and CG(245) at 71.5272 98.4304 79.5871 in (null):M-9999 (34) other bump:2.23156 Ang CB(198) at 70.953 99.289 77.609 in (null):S-9999 (28) and CG(245) at 71.5272 98.4304 79.5871 in (null):M-9999 (34) other bump:1.296 Ang N(196) at 69.878 101.444 77.215 in (null):S-9999 (28) and CZ(232) at 69.8925 101.803 75.9698 in (null):F-9999 (32) other bump:2.24711 Ang CA(189) at 68.275 103.175 76.712 in (null):D-9999 (27) and CZ(232) at 69.8925 101.803 75.9698 in (null):F-9999 (32) other bump:1.3272 Ang C(195) at 69.732 102.732 76.904 in (null):D-9999 (27) and CZ(232) at 69.8925 101.803 75.9698 in (null):F-9999 (32) other bump:2.22674 Ang CA(197) at 71.154 100.801 77.507 in (null):S-9999 (28) and CZ(232) at 69.8925 101.803 75.9698 in (null):F-9999 (32) other bump:2.65534 Ang C(201) at 72.37 101.124 76.642 in (null):S-9999 (28) and CZ(232) at 69.8925 101.803 75.9698 in (null):F-9999 (32) other bump:2.04845 Ang O(194) at 70.677 103.515 76.776 in (null):D-9999 (27) and CZ(232) at 69.8925 101.803 75.9698 in (null):F-9999 (32) other bump:2.86562 Ang OG(185) at 67.912 100.356 79.358 in (null):S-9999 (26) and CE2(231) at 69.5546 101.42 77.2649 in (null):F-9999 (32) other bump:0.328106 Ang N(196) at 69.878 101.444 77.215 in (null):S-9999 (28) and CE2(231) at 69.5546 101.42 77.2649 in (null):F-9999 (32) other bump:2.36041 Ang N(188) at 67.644 102.637 77.929 in (null):D-9999 (27) and CE2(231) at 69.5546 101.42 77.2649 in (null):F-9999 (32) other bump:2.24096 Ang CA(189) at 68.275 103.175 76.712 in (null):D-9999 (27) and CE2(231) at 69.5546 101.42 77.2649 in (null):F-9999 (32) other bump:1.37194 Ang C(195) at 69.732 102.732 76.904 in (null):D-9999 (27) and CE2(231) at 69.5546 101.42 77.2649 in (null):F-9999 (32) other bump:1.73214 Ang CA(197) at 71.154 100.801 77.507 in (null):S-9999 (28) and CE2(231) at 69.5546 101.42 77.2649 in (null):F-9999 (32) other bump:2.57227 Ang CB(198) at 70.953 99.289 77.609 in (null):S-9999 (28) and CE2(231) at 69.5546 101.42 77.2649 in (null):F-9999 (32) other bump:2.83326 Ang OG(199) at 70.246 98.784 76.491 in (null):S-9999 (28) and CE2(231) at 69.5546 101.42 77.2649 in (null):F-9999 (32) other bump:2.8987 Ang C(201) at 72.37 101.124 76.642 in (null):S-9999 (28) and CE2(231) at 69.5546 101.42 77.2649 in (null):F-9999 (32) other bump:2.42621 Ang O(194) at 70.677 103.515 76.776 in (null):D-9999 (27) and CE2(231) at 69.5546 101.42 77.2649 in (null):F-9999 (32) other bump:2.30112 Ang N(196) at 69.878 101.444 77.215 in (null):S-9999 (28) and CE1(230) at 70.1187 103.142 75.6805 in (null):F-9999 (32) other bump:2.7126 Ang CG(191) at 68.471 105.247 75.221 in (null):D-9999 (27) and CE1(230) at 70.1187 103.142 75.6805 in (null):F-9999 (32) other bump:2.28539 Ang OD1(192) at 68.835 104.46 74.325 in (null):D-9999 (27) and CE1(230) at 70.1187 103.142 75.6805 in (null):F-9999 (32) other bump:2.11295 Ang CA(189) at 68.275 103.175 76.712 in (null):D-9999 (27) and CE1(230) at 70.1187 103.142 75.6805 in (null):F-9999 (32) other bump:2.67196 Ang CB(190) at 68.168 104.708 76.619 in (null):D-9999 (27) and CE1(230) at 70.1187 103.142 75.6805 in (null):F-9999 (32) other bump:1.34705 Ang C(195) at 69.732 102.732 76.904 in (null):D-9999 (27) and CE1(230) at 70.1187 103.142 75.6805 in (null):F-9999 (32) other bump:3.1724 Ang C(201) at 72.37 101.124 76.642 in (null):S-9999 (28) and CE1(230) at 70.1187 103.142 75.6805 in (null):F-9999 (32) other bump:1.28499 Ang O(194) at 70.677 103.515 76.776 in (null):D-9999 (27) and CE1(230) at 70.1187 103.142 75.6805 in (null):F-9999 (32) other bump:2.98864 Ang CB(184) at 67.856 101.192 80.501 in (null):S-9999 (26) and CD2(229) at 69.4488 102.385 78.2713 in (null):F-9999 (32) other bump:1.47846 Ang N(196) at 69.878 101.444 77.215 in (null):S-9999 (28) and CD2(229) at 69.4488 102.385 78.2713 in (null):F-9999 (32) other bump:3.14885 Ang CA(183) at 67.004 102.443 80.255 in (null):S-9999 (26) and CD2(229) at 69.4488 102.385 78.2713 in (null):F-9999 (32) other bump:2.1981 Ang C(187) at 67.612 103.244 79.12 in (null):S-9999 (26) and CD2(229) at 69.4488 102.385 78.2713 in (null):F-9999 (32) other bump:1.85414 Ang N(188) at 67.644 102.637 77.929 in (null):D-9999 (27) and CD2(229) at 69.4488 102.385 78.2713 in (null):F-9999 (32) other bump:2.10549 Ang CA(189) at 68.275 103.175 76.712 in (null):D-9999 (27) and CD2(229) at 69.4488 102.385 78.2713 in (null):F-9999 (32) other bump:3.12509 Ang CB(190) at 68.168 104.708 76.619 in (null):D-9999 (27) and CD2(229) at 69.4488 102.385 78.2713 in (null):F-9999 (32) other bump:1.43878 Ang C(195) at 69.732 102.732 76.904 in (null):D-9999 (27) and CD2(229) at 69.4488 102.385 78.2713 in (null):F-9999 (32) other bump:2.4498 Ang CA(197) at 71.154 100.801 77.507 in (null):S-9999 (28) and CD2(229) at 69.4488 102.385 78.2713 in (null):F-9999 (32) other bump:2.24078 Ang O(194) at 70.677 103.515 76.776 in (null):D-9999 (27) and CD2(229) at 69.4488 102.385 78.2713 in (null):F-9999 (32) other bump:2.71137 Ang N(196) at 69.878 101.444 77.215 in (null):S-9999 (28) and CD1(228) at 70.0119 104.101 76.6929 in (null):F-9999 (32) other bump:2.41944 Ang CG(191) at 68.471 105.247 75.221 in (null):D-9999 (27) and CD1(228) at 70.0119 104.101 76.6929 in (null):F-9999 (32) other bump:2.66848 Ang OD1(192) at 68.835 104.46 74.325 in (null):D-9999 (27) and CD1(228) at 70.0119 104.101 76.6929 in (null):F-9999 (32) other bump:1.96857 Ang CA(189) at 68.275 103.175 76.712 in (null):D-9999 (27) and CD1(228) at 70.0119 104.101 76.6929 in (null):F-9999 (32) other bump:1.94261 Ang CB(190) at 68.168 104.708 76.619 in (null):D-9999 (27) and CD1(228) at 70.0119 104.101 76.6929 in (null):F-9999 (32) other bump:1.41343 Ang C(195) at 69.732 102.732 76.904 in (null):D-9999 (27) and CD1(228) at 70.0119 104.101 76.6929 in (null):F-9999 (32) other bump:0.890446 Ang O(194) at 70.677 103.515 76.776 in (null):D-9999 (27) and CD1(228) at 70.0119 104.101 76.6929 in (null):F-9999 (32) other bump:2.42204 Ang N(196) at 69.878 101.444 77.215 in (null):S-9999 (28) and CG(227) at 69.6783 103.729 77.9932 in (null):F-9999 (32) other bump:2.23417 Ang O(186) at 68.012 104.385 79.329 in (null):S-9999 (26) and CG(227) at 69.6783 103.729 77.9932 in (null):F-9999 (32) other bump:2.40304 Ang C(187) at 67.612 103.244 79.12 in (null):S-9999 (26) and CG(227) at 69.6783 103.729 77.9932 in (null):F-9999 (32) other bump:2.30975 Ang N(188) at 67.644 102.637 77.929 in (null):D-9999 (27) and CG(227) at 69.6783 103.729 77.9932 in (null):F-9999 (32) other bump:1.97931 Ang CA(189) at 68.275 103.175 76.712 in (null):D-9999 (27) and CG(227) at 69.6783 103.729 77.9932 in (null):F-9999 (32) other bump:2.26454 Ang CB(190) at 68.168 104.708 76.619 in (null):D-9999 (27) and CG(227) at 69.6783 103.729 77.9932 in (null):F-9999 (32) other bump:1.47752 Ang C(195) at 69.732 102.732 76.904 in (null):D-9999 (27) and CG(227) at 69.6783 103.729 77.9932 in (null):F-9999 (32) other bump:1.58891 Ang O(194) at 70.677 103.515 76.776 in (null):D-9999 (27) and CG(227) at 69.6783 103.729 77.9932 in (null):F-9999 (32) other bump:1.65366 Ang O(186) at 68.012 104.385 79.329 in (null):S-9999 (26) and CB(226) at 69.6067 104.749 79.0853 in (null):F-9999 (32) other bump:2.49876 Ang C(187) at 67.612 103.244 79.12 in (null):S-9999 (26) and CB(226) at 69.6067 104.749 79.0853 in (null):F-9999 (32) other bump:3.10614 Ang N(188) at 67.644 102.637 77.929 in (null):D-9999 (27) and CB(226) at 69.6067 104.749 79.0853 in (null):F-9999 (32) other bump:3.14361 Ang CA(189) at 68.275 103.175 76.712 in (null):D-9999 (27) and CB(226) at 69.6067 104.749 79.0853 in (null):F-9999 (32) other bump:2.85555 Ang CB(190) at 68.168 104.708 76.619 in (null):D-9999 (27) and CB(226) at 69.6067 104.749 79.0853 in (null):F-9999 (32) other bump:2.97332 Ang C(195) at 69.732 102.732 76.904 in (null):D-9999 (27) and CB(226) at 69.6067 104.749 79.0853 in (null):F-9999 (32) other bump:3.03306 Ang CA(91) at 59.71 115.348 83.482 in (null):A-9999 (12) and CH2(155) at 60.2547 112.982 81.6647 in (null):W-9999 (21) other bump:2.2293 Ang CB(92) at 60.947 114.774 82.795 in (null):A-9999 (12) and CH2(155) at 60.2547 112.982 81.6647 in (null):W-9999 (21) other bump:2.49924 Ang NE(117) at 60.012 109.817 83.9117 in (null):R-9999 (16) and CZ3(154) at 60.0823 111.897 82.5287 in (null):W-9999 (21) other bump:2.84162 Ang CZ(118) at 61.3272 109.719 83.8623 in (null):R-9999 (16) and CZ3(154) at 60.0823 111.897 82.5287 in (null):W-9999 (21) other bump:3.01544 Ang CB(92) at 60.947 114.774 82.795 in (null):A-9999 (12) and CZ3(154) at 60.0823 111.897 82.5287 in (null):W-9999 (21) other bump:2.80925 Ang NH2(120) at 61.9494 109.805 82.6914 in (null):R-9999 (16) and CZ3(154) at 60.0823 111.897 82.5287 in (null):W-9999 (21) other bump:2.91479 Ang CB(92) at 60.947 114.774 82.795 in (null):A-9999 (12) and CZ2(153) at 59.2201 113.431 80.8689 in (null):W-9999 (21) other bump:3.07155 Ang CG1(108) at 54.8273 113.991 82.3936 in (null):V-9999 (15) and NE1(152) at 56.8453 113.009 80.2961 in (null):W-9999 (21) other bump:2.24486 Ang NE(117) at 60.012 109.817 83.9117 in (null):R-9999 (16) and CE3(151) at 58.8659 111.245 82.6127 in (null):W-9999 (21) other bump:3.15403 Ang CZ(118) at 61.3272 109.719 83.8623 in (null):R-9999 (16) and CE3(151) at 58.8659 111.245 82.6127 in (null):W-9999 (21) other bump:2.84215 Ang CG(115) at 57.8452 110.122 85.0159 in (null):R-9999 (16) and CE3(151) at 58.8659 111.245 82.6127 in (null):W-9999 (21) other bump:3.00305 Ang CD(116) at 59.298 109.769 85.192 in (null):R-9999 (16) and CE3(151) at 58.8659 111.245 82.6127 in (null):W-9999 (21) other bump:2.72591 Ang CG1(108) at 54.8273 113.991 82.3936 in (null):V-9999 (15) and CD1(148) at 55.9114 112.154 80.6957 in (null):W-9999 (21) Number of specific fragments= 10 total=500 Number of alignments=41 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1ejrC/T0147_twice-1ejrC-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1ejrC read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1ejrC/T0147_twice-1ejrC-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1ejrC in template set T0147_twice 100 :FHEPVFAPHDK 1ejrC 1135 :IHWICPQQAEE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:1.64691 Ang O(21) at 71.879 97.234 73.876 in (null):H-9999 (2) and CD(36) at 73.4987 97.0713 73.6262 in (null):P-9999 (4) other bump:2.4791 Ang C(22) at 71.141 97.297 72.894 in (null):H-9999 (2) and CD(36) at 73.4987 97.0713 73.6262 in (null):P-9999 (4) T0147_twice 120 :TIASGNVHIISHPGNPK 1ejrC 1146 :ALVSGVTTMVGGGTGPA Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.57131 Ang OD1(105) at 76.747 93.722 65.5333 in (null):N-9999 (15) and CE(120) at 77.2372 93.8809 63.0142 in (null):K-9999 (17) other bump:2.89584 Ang CG(103) at 77.521 94.0072 66.4559 in (null):N-9999 (15) and CG(118) at 77.7536 95.9906 64.3588 in (null):K-9999 (17) other bump:2.37262 Ang ND2(104) at 78.4773 94.9104 66.3434 in (null):N-9999 (15) and CG(118) at 77.7536 95.9906 64.3588 in (null):K-9999 (17) neighbor-bump: 2.74869 Ang CB(102) at 77.3651 93.3016 67.7908 in (null):N-9999 (15) and CD(112) at 79.077 94.508 69.571 in (null):P-9999 (16) neighbor-bump: 2.27625 Ang O(98) at 75.609 92.217 66.831 in (null):G-9999 (14) and CB(102) at 77.3651 93.3016 67.7908 in (null):N-9999 (15) neighbor-bump: 2.65776 Ang C(99) at 74.789 93.076 67.177 in (null):G-9999 (14) and CB(102) at 77.3651 93.3016 67.7908 in (null):N-9999 (15) neighbor-bump: 2.58002 Ang N(79) at 66.606 96.214 70.217 in (null):H-9999 (12) and CD(93) at 68.8579 95.2475 69.4099 in (null):P-9999 (13) neighbor-bump: 1.82402 Ang CA(80) at 67.175 95.785 68.956 in (null):H-9999 (12) and CD(93) at 68.8579 95.2475 69.4099 in (null):P-9999 (13) neighbor-bump: 1.68581 Ang O(87) at 69.175 96.882 69.674 in (null):H-9999 (12) and CD(93) at 68.8579 95.2475 69.4099 in (null):P-9999 (13) neighbor-bump: 0.968418 Ang C(88) at 68.664 96.057 68.915 in (null):H-9999 (12) and CD(93) at 68.8579 95.2475 69.4099 in (null):P-9999 (13) neighbor-bump: 2.31888 Ang O(87) at 69.175 96.882 69.674 in (null):H-9999 (12) and CG(92) at 70.1105 94.8105 70.1334 in (null):P-9999 (13) neighbor-bump: 2.26508 Ang C(88) at 68.664 96.057 68.915 in (null):H-9999 (12) and CG(92) at 70.1105 94.8105 70.1334 in (null):P-9999 (13) neighbor-bump: 2.61226 Ang C(88) at 68.664 96.057 68.915 in (null):H-9999 (12) and CB(91) at 71.1805 95.6017 69.4477 in (null):P-9999 (13) other bump:1.96047 Ang CG2(5) at 67.4345 94.1308 82.7591 in (null):T-9999 (1) and ND2(36) at 65.7211 94.555 81.906 in (null):N-9999 (6) other bump:2.52964 Ang CG2(5) at 67.4345 94.1308 82.7591 in (null):T-9999 (1) and CG(35) at 64.9078 94.0258 82.8206 in (null):N-9999 (6) other bump:2.57255 Ang CG2(5) at 67.4345 94.1308 82.7591 in (null):T-9999 (1) and CB(34) at 65.3637 94.11 84.2853 in (null):N-9999 (6) T0147_twice 137 :YEIDVKAVAEAAAKHQVALEINNSS 1ejrC 1173 :GPWYISRMLQAADSLPVNIGLLGKG Fragment has 44 clashes (null) has 44 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 3.23659 Ang CE2(9) at 65.7399 88.8679 55.9992 in (null):Y-9999 (1) and C(22) at 67.141 88.104 58.815 in (null):E-9999 (2) neighbor-bump: 1.89334 Ang CD1(6) at 64.1169 90.9139 56.9483 in (null):Y-9999 (1) and OE2(20) at 62.9524 90.4827 55.5191 in (null):E-9999 (2) neighbor-bump: 1.53735 Ang CE1(8) at 63.5774 89.6752 56.6684 in (null):Y-9999 (1) and OE2(20) at 62.9524 90.4827 55.5191 in (null):E-9999 (2) neighbor-bump: 2.41731 Ang CZ(10) at 64.4032 88.671 56.1944 in (null):Y-9999 (1) and OE2(20) at 62.9524 90.4827 55.5191 in (null):E-9999 (2) neighbor-bump: 1.96206 Ang CD1(6) at 64.1169 90.9139 56.9483 in (null):Y-9999 (1) and OE1(19) at 65.1289 90.3009 55.383 in (null):E-9999 (2) neighbor-bump: 2.10966 Ang CE1(8) at 63.5774 89.6752 56.6684 in (null):Y-9999 (1) and OE1(19) at 65.1289 90.3009 55.383 in (null):E-9999 (2) neighbor-bump: 1.67526 Ang CE2(9) at 65.7399 88.8679 55.9992 in (null):Y-9999 (1) and OE1(19) at 65.1289 90.3009 55.383 in (null):E-9999 (2) neighbor-bump: 1.96002 Ang CZ(10) at 64.4032 88.671 56.1944 in (null):Y-9999 (1) and OE1(19) at 65.1289 90.3009 55.383 in (null):E-9999 (2) neighbor-bump: 1.64533 Ang CG(5) at 65.4624 91.1392 56.759 in (null):Y-9999 (1) and OE1(19) at 65.1289 90.3009 55.383 in (null):E-9999 (2) neighbor-bump: 1.45859 Ang CD2(7) at 66.2657 90.1108 56.2769 in (null):Y-9999 (1) and OE1(19) at 65.1289 90.3009 55.383 in (null):E-9999 (2) neighbor-bump: 1.55978 Ang CD1(6) at 64.1169 90.9139 56.9483 in (null):Y-9999 (1) and CD(18) at 64.0177 89.8885 55.7771 in (null):E-9999 (2) neighbor-bump: 1.01673 Ang CE1(8) at 63.5774 89.6752 56.6684 in (null):Y-9999 (1) and CD(18) at 64.0177 89.8885 55.7771 in (null):E-9999 (2) neighbor-bump: 2.01414 Ang CE2(9) at 65.7399 88.8679 55.9992 in (null):Y-9999 (1) and CD(18) at 64.0177 89.8885 55.7771 in (null):E-9999 (2) neighbor-bump: 1.34357 Ang CZ(10) at 64.4032 88.671 56.1944 in (null):Y-9999 (1) and CD(18) at 64.0177 89.8885 55.7771 in (null):E-9999 (2) neighbor-bump: 2.4571 Ang OH(11) at 63.8741 87.4369 55.8559 in (null):Y-9999 (1) and CD(18) at 64.0177 89.8885 55.7771 in (null):E-9999 (2) neighbor-bump: 2.14836 Ang CG(5) at 65.4624 91.1392 56.759 in (null):Y-9999 (1) and CD(18) at 64.0177 89.8885 55.7771 in (null):E-9999 (2) neighbor-bump: 2.31361 Ang CD2(7) at 66.2657 90.1108 56.2769 in (null):Y-9999 (1) and CD(18) at 64.0177 89.8885 55.7771 in (null):E-9999 (2) neighbor-bump: 2.32807 Ang CD1(6) at 64.1169 90.9139 56.9483 in (null):Y-9999 (1) and CG(17) at 63.9654 88.617 56.6004 in (null):E-9999 (2) neighbor-bump: 1.12924 Ang CE1(8) at 63.5774 89.6752 56.6684 in (null):Y-9999 (1) and CG(17) at 63.9654 88.617 56.6004 in (null):E-9999 (2) neighbor-bump: 1.89025 Ang CE2(9) at 65.7399 88.8679 55.9992 in (null):Y-9999 (1) and CG(17) at 63.9654 88.617 56.6004 in (null):E-9999 (2) neighbor-bump: 0.599514 Ang CZ(10) at 64.4032 88.671 56.1944 in (null):Y-9999 (1) and CG(17) at 63.9654 88.617 56.6004 in (null):E-9999 (2) neighbor-bump: 1.39826 Ang OH(11) at 63.8741 87.4369 55.8559 in (null):Y-9999 (1) and CG(17) at 63.9654 88.617 56.6004 in (null):E-9999 (2) neighbor-bump: 2.93733 Ang CG(5) at 65.4624 91.1392 56.759 in (null):Y-9999 (1) and CG(17) at 63.9654 88.617 56.6004 in (null):E-9999 (2) neighbor-bump: 2.76183 Ang CD2(7) at 66.2657 90.1108 56.2769 in (null):Y-9999 (1) and CG(17) at 63.9654 88.617 56.6004 in (null):E-9999 (2) neighbor-bump: 3.03251 Ang CD1(6) at 64.1169 90.9139 56.9483 in (null):Y-9999 (1) and CB(16) at 65.3538 88.1469 57.0493 in (null):E-9999 (2) neighbor-bump: 2.3741 Ang CE1(8) at 63.5774 89.6752 56.6684 in (null):Y-9999 (1) and CB(16) at 65.3538 88.1469 57.0493 in (null):E-9999 (2) neighbor-bump: 1.33101 Ang CE2(9) at 65.7399 88.8679 55.9992 in (null):Y-9999 (1) and CB(16) at 65.3538 88.1469 57.0493 in (null):E-9999 (2) neighbor-bump: 1.38164 Ang CZ(10) at 64.4032 88.671 56.1944 in (null):Y-9999 (1) and CB(16) at 65.3538 88.1469 57.0493 in (null):E-9999 (2) neighbor-bump: 2.02918 Ang OH(11) at 63.8741 87.4369 55.8559 in (null):Y-9999 (1) and CB(16) at 65.3538 88.1469 57.0493 in (null):E-9999 (2) neighbor-bump: 2.29895 Ang CD2(7) at 66.2657 90.1108 56.2769 in (null):Y-9999 (1) and CB(16) at 65.3538 88.1469 57.0493 in (null):E-9999 (2) neighbor-bump: 3.04612 Ang CD1(6) at 64.1169 90.9139 56.9483 in (null):Y-9999 (1) and CA(15) at 65.909 88.86 58.308 in (null):E-9999 (2) neighbor-bump: 2.96469 Ang CE1(8) at 63.5774 89.6752 56.6684 in (null):Y-9999 (1) and CA(15) at 65.909 88.86 58.308 in (null):E-9999 (2) neighbor-bump: 2.31501 Ang CE2(9) at 65.7399 88.8679 55.9992 in (null):Y-9999 (1) and CA(15) at 65.909 88.86 58.308 in (null):E-9999 (2) neighbor-bump: 2.602 Ang CZ(10) at 64.4032 88.671 56.1944 in (null):Y-9999 (1) and CA(15) at 65.909 88.86 58.308 in (null):E-9999 (2) neighbor-bump: 2.79175 Ang CG(5) at 65.4624 91.1392 56.759 in (null):Y-9999 (1) and CA(15) at 65.909 88.86 58.308 in (null):E-9999 (2) neighbor-bump: 2.41191 Ang CD2(7) at 66.2657 90.1108 56.2769 in (null):Y-9999 (1) and CA(15) at 65.909 88.86 58.308 in (null):E-9999 (2) neighbor-bump: 2.36725 Ang CD1(6) at 64.1169 90.9139 56.9483 in (null):Y-9999 (1) and N(14) at 66.118 90.284 58.045 in (null):E-9999 (2) neighbor-bump: 2.51667 Ang CE2(9) at 65.7399 88.8679 55.9992 in (null):Y-9999 (1) and N(14) at 66.118 90.284 58.045 in (null):E-9999 (2) neighbor-bump: 2.9945 Ang CZ(10) at 64.4032 88.671 56.1944 in (null):Y-9999 (1) and N(14) at 66.118 90.284 58.045 in (null):E-9999 (2) neighbor-bump: 2.37747 Ang CB(4) at 66.0887 92.4806 57.136 in (null):Y-9999 (1) and N(14) at 66.118 90.284 58.045 in (null):E-9999 (2) neighbor-bump: 1.67785 Ang CG(5) at 65.4624 91.1392 56.759 in (null):Y-9999 (1) and N(14) at 66.118 90.284 58.045 in (null):E-9999 (2) neighbor-bump: 1.78274 Ang CD2(7) at 66.2657 90.1108 56.2769 in (null):Y-9999 (1) and N(14) at 66.118 90.284 58.045 in (null):E-9999 (2) self-bump: 2.44008 Ang CG(5) at 65.4624 91.1392 56.759 in (null):Y-9999 (1) and C(13) at 66.689 91.175 58.868 in (null):Y-9999 (1) self-bump: 1.39475 Ang CA(3) at 66.772 92.59 58.347 in (null):Y-9999 (1) and CB(4) at 66.0887 92.4806 57.136 in (null):Y-9999 (1) T0147_twice 245 :LMYP 1ejrC 1198 :NVSQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 386 :VKAVAEAAAKHQVA 1ejrC 1202 :PDALREQVAAGVIG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:3.13599 Ang CG(81) at 60.3547 93.7327 64.9712 in (null):Q-9999 (12) and C(98) at 59.01 96.429 65.841 in (null):A-9999 (14) other bump:2.93746 Ang CD(82) at 61.1299 94.9347 64.462 in (null):Q-9999 (12) and C(98) at 59.01 96.429 65.841 in (null):A-9999 (14) other bump:2.10221 Ang CG(81) at 60.3547 93.7327 64.9712 in (null):Q-9999 (12) and O(97) at 59.932 95.749 65.39 in (null):A-9999 (14) other bump:1.72026 Ang CD(82) at 61.1299 94.9347 64.462 in (null):Q-9999 (12) and O(97) at 59.932 95.749 65.39 in (null):A-9999 (14) other bump:2.98217 Ang CG(81) at 60.3547 93.7327 64.9712 in (null):Q-9999 (12) and N(94) at 58.207 94.405 66.928 in (null):A-9999 (14) neighbor-bump: 2.41975 Ang C(67) at 61.227 86.93 61.843 in (null):K-9999 (10) and CD2(72) at 61.9493 84.7544 62.6177 in (null):H-9999 (11) neighbor-bump: 1.36008 Ang O(66) at 61.974 86.086 62.342 in (null):K-9999 (10) and CD2(72) at 61.9493 84.7544 62.6177 in (null):H-9999 (11) neighbor-bump: 2.60844 Ang C(67) at 61.227 86.93 61.843 in (null):K-9999 (10) and CG(71) at 61.9683 85.3904 63.8138 in (null):H-9999 (11) neighbor-bump: 1.6279 Ang O(66) at 61.974 86.086 62.342 in (null):K-9999 (10) and CG(71) at 61.9683 85.3904 63.8138 in (null):H-9999 (11) neighbor-bump: 2.43506 Ang C(67) at 61.227 86.93 61.843 in (null):K-9999 (10) and CB(70) at 61.9807 86.8716 64.1577 in (null):H-9999 (11) neighbor-bump: 1.97839 Ang O(66) at 61.974 86.086 62.342 in (null):K-9999 (10) and CB(70) at 61.9807 86.8716 64.1577 in (null):H-9999 (11) T0147_twice 403 :N 1ejrC 1219 :H Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 409 :HSRKGSEDNCREVAAAVRDAGGWVALGSDS 1ejrC 1220 :EAWGATPAAIDCALTVADEMDIQVALHSDT Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.15642 Ang CZ3(170) at 58.5625 100.536 70.3936 in (null):W-9999 (23) and CB(183) at 59.855 102.074 69.609 in (null):A-9999 (25) other bump:2.22573 Ang CH2(171) at 58.2902 101.692 71.1451 in (null):W-9999 (23) and CB(183) at 59.855 102.074 69.609 in (null):A-9999 (25) other bump:2.7413 Ang CZ3(170) at 58.5625 100.536 70.3936 in (null):W-9999 (23) and CA(182) at 58.737 102.872 68.969 in (null):A-9999 (25) other bump:2.51533 Ang CH2(171) at 58.2902 101.692 71.1451 in (null):W-9999 (23) and CA(182) at 58.737 102.872 68.969 in (null):A-9999 (25) other bump:2.89472 Ang CZ3(170) at 58.5625 100.536 70.3936 in (null):W-9999 (23) and N(181) at 58.036 102.058 67.988 in (null):A-9999 (25) other bump:3.18837 Ang CH2(171) at 58.2902 101.692 71.1451 in (null):W-9999 (23) and N(181) at 58.036 102.058 67.988 in (null):A-9999 (25) neighbor-bump: 3.26331 Ang CE3(167) at 57.5537 99.6278 70.0805 in (null):W-9999 (23) and C(180) at 56.713 101.956 67.954 in (null):V-9999 (24) neighbor-bump: 2.83515 Ang CE2(166) at 56.0097 101.065 71.2681 in (null):W-9999 (23) and O(179) at 55.973 102.461 68.801 in (null):V-9999 (24) other bump:2.20948 Ang CG1(124) at 51.9861 98.7583 64.7456 in (null):V-9999 (17) and O(158) at 52.441 97.23 66.275 in (null):G-9999 (22) other bump:2.25753 Ang O(114) at 49.83 98.836 58.62 in (null):A-9999 (15) and OD2(144) at 49.1716 97.2543 57.1499 in (null):D-9999 (19) Number of specific fragments= 7 total=507 Number of alignments=42 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1gdeA/T0147_twice-1gdeA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1gdeA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1gdeA/T0147_twice-1gdeA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # adding 1gdeA to template set 1gdeA:# found chain 1gdeA in template set T0147_twice 137 :YEIDVKAVAEAAAKHQVALEINNSS 1gdeA 11 :SASEIRKLFDIAAGMKDVISLGIGE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.42065 Ang OE2(150) at 40.3836 1.92234 15.5933 in (null):E-9999 (20) and OD1(174) at 38.1007 2.72141 15.4962 in (null):N-9999 (23) other bump:2.57436 Ang CD(148) at 41.5367 1.47148 15.7382 in (null):E-9999 (20) and ND2(173) at 39.6045 1.78664 14.0666 in (null):N-9999 (23) other bump:1.71939 Ang OE2(150) at 40.3836 1.92234 15.5933 in (null):E-9999 (20) and ND2(173) at 39.6045 1.78664 14.0666 in (null):N-9999 (23) other bump:2.20209 Ang OE2(150) at 40.3836 1.92234 15.5933 in (null):E-9999 (20) and CG(172) at 38.4056 1.89696 14.6257 in (null):N-9999 (23) neighbor-bump: 2.63322 Ang C(123) at 52.703 5.038 13.884 in (null):Q-9999 (16) and CB(126) at 53.5917 4.62827 11.4394 in (null):V-9999 (17) other bump:2.28896 Ang O(84) at 49.961 1.462 21.523 in (null):A-9999 (11) and CD2(109) at 51.5902 0.892592 20.0194 in (null):H-9999 (15) other bump:3.04701 Ang C(85) at 49.055 0.642 21.691 in (null):A-9999 (11) and CD2(109) at 51.5902 0.892592 20.0194 in (null):H-9999 (15) other bump:2.26129 Ang NZ(52) at 41.3783 -0.197894 29.5967 in (null):K-9999 (6) and OE2(78) at 43.3558 0.32387 28.6319 in (null):E-9999 (10) T0147_twice 165 :SRKGSEDNCREVAAAVRDAGGW 1gdeA 36 :PDFDTPQHIKEYAKEALDKGLT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0147_twice 194 :HTAFTMGEFEECLKILDAVDF 1gdeA 58 :HYGPNIGLLELREAIAEKLKK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.9251 Ang CE2(70) at 1.25408 7.57602 17.9348 in (null):F-9999 (9) and CD1(102) at 2.57902 6.90389 15.4151 in (null):L-9999 (13) T0147_twice 219 :I 1gdeA 79 :Q Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 285 :H 1gdeA 80 :N Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 316 :GIEANIKNVDGEIDCSGKMFDSLDLIIAGFHEPVFAPHDKA 1gdeA 81 :GIEADPKTEIMVLLGANQAFLMGLSAFLKDGEEVLIPTPAF Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.00967 Ang CB(274) at 25.897 -18.787 18.297 in (null):P-9999 (37) and NZ(303) at 25.8835 -16.8779 17.6693 in (null):K-9999 (40) other bump:2.18621 Ang CB(274) at 25.897 -18.787 18.297 in (null):P-9999 (37) and CE(302) at 27.0007 -16.9329 18.6487 in (null):K-9999 (40) other bump:2.61658 Ang N(272) at 26.086 -18.43 20.59 in (null):P-9999 (37) and CE(302) at 27.0007 -16.9329 18.6487 in (null):K-9999 (40) other bump:2.20356 Ang CA(273) at 26.851 -18.973 19.468 in (null):P-9999 (37) and CE(302) at 27.0007 -16.9329 18.6487 in (null):K-9999 (40) other bump:1.18414 Ang O(277) at 28.006 -16.891 19.273 in (null):P-9999 (37) and CE(302) at 27.0007 -16.9329 18.6487 in (null):K-9999 (40) other bump:1.73201 Ang C(278) at 28.092 -18.114 19.292 in (null):P-9999 (37) and CE(302) at 27.0007 -16.9329 18.6487 in (null):K-9999 (40) other bump:1.44789 Ang O(277) at 28.006 -16.891 19.273 in (null):P-9999 (37) and CD(301) at 27.6704 -15.5815 18.7544 in (null):K-9999 (40) other bump:2.62305 Ang C(278) at 28.092 -18.114 19.292 in (null):P-9999 (37) and CD(301) at 27.6704 -15.5815 18.7544 in (null):K-9999 (40) other bump:1.60065 Ang O(277) at 28.006 -16.891 19.273 in (null):P-9999 (37) and CG(300) at 28.7181 -15.5719 19.8342 in (null):K-9999 (40) other bump:2.67364 Ang C(278) at 28.092 -18.114 19.292 in (null):P-9999 (37) and CG(300) at 28.7181 -15.5719 19.8342 in (null):K-9999 (40) other bump:3.14888 Ang CA(280) at 30.51 -18.038 19.045 in (null):H-9999 (38) and CG(300) at 28.7181 -15.5719 19.8342 in (null):K-9999 (40) neighbor-bump: 3.16869 Ang CG(282) at 32.761 -17.9197 20.3598 in (null):H-9999 (38) and CA(290) at 32.52 -16.254 17.675 in (null):D-9999 (39) neighbor-bump: 2.92533 Ang CD2(283) at 33.9001 -17.9374 19.6292 in (null):H-9999 (38) and CA(290) at 32.52 -16.254 17.675 in (null):D-9999 (39) neighbor-bump: 2.94065 Ang C(194) at 12.723 -10.119 32.49 in (null):I-9999 (26) and CG1(198) at 11.4684 -12.214 30.8516 in (null):I-9999 (27) other bump:2.66427 Ang O(155) at 19.485 -6.764 30.877 in (null):D-9999 (21) and CD1(183) at 19.4655 -5.44177 33.1899 in (null):L-9999 (25) other bump:2.85493 Ang OD2(154) at 22.1214 -4.54983 32.641 in (null):D-9999 (21) and CD1(183) at 19.4655 -5.44177 33.1899 in (null):L-9999 (25) other bump:2.39924 Ang O(155) at 19.485 -6.764 30.877 in (null):D-9999 (21) and CG(182) at 18.9902 -6.8775 33.2219 in (null):L-9999 (25) other bump:2.68087 Ang SD(134) at 16.1976 -5.06894 23.4824 in (null):M-9999 (19) and CD2(168) at 14.6329 -6.16326 25.3642 in (null):L-9999 (23) other bump:1.80899 Ang SD(134) at 16.1976 -5.06894 23.4824 in (null):M-9999 (19) and CD1(167) at 16.5747 -6.78158 23.9263 in (null):L-9999 (23) other bump:2.13997 Ang CG(133) at 17.8699 -5.45987 22.8516 in (null):M-9999 (19) and CD1(167) at 16.5747 -6.78158 23.9263 in (null):L-9999 (23) other bump:2.29299 Ang SD(134) at 16.1976 -5.06894 23.4824 in (null):M-9999 (19) and CG(166) at 16.1336 -6.42662 25.3291 in (null):L-9999 (23) other bump:2.50439 Ang O(136) at 18.542 -6.091 25.928 in (null):M-9999 (19) and CG(166) at 16.1336 -6.42662 25.3291 in (null):L-9999 (23) other bump:2.56867 Ang O(136) at 18.542 -6.091 25.928 in (null):M-9999 (19) and CB(165) at 16.4733 -7.56962 26.2914 in (null):L-9999 (23) other bump:1.74964 Ang N(97) at 19.254 3.92 23.973 in (null):D-9999 (14) and NZ(127) at 20.8913 3.57384 24.4836 in (null):K-9999 (18) other bump:1.37536 Ang CA(98) at 20.497 4.696 23.793 in (null):D-9999 (14) and NZ(127) at 20.8913 3.57384 24.4836 in (null):K-9999 (18) other bump:1.64182 Ang CB(99) at 20.7491 4.95291 25.3631 in (null):D-9999 (14) and NZ(127) at 20.8913 3.57384 24.4836 in (null):K-9999 (18) other bump:1.71605 Ang O(103) at 22.438 3.249 23.815 in (null):D-9999 (14) and NZ(127) at 20.8913 3.57384 24.4836 in (null):K-9999 (18) other bump:1.46013 Ang C(104) at 21.499 3.72 23.164 in (null):D-9999 (14) and NZ(127) at 20.8913 3.57384 24.4836 in (null):K-9999 (18) other bump:2.01324 Ang N(97) at 19.254 3.92 23.973 in (null):D-9999 (14) and CE(126) at 20.0606 3.06345 25.6066 in (null):K-9999 (18) other bump:2.47891 Ang CA(98) at 20.497 4.696 23.793 in (null):D-9999 (14) and CE(126) at 20.0606 3.06345 25.6066 in (null):K-9999 (18) other bump:2.02568 Ang CB(99) at 20.7491 4.95291 25.3631 in (null):D-9999 (14) and CE(126) at 20.0606 3.06345 25.6066 in (null):K-9999 (18) other bump:2.90973 Ang C(104) at 21.499 3.72 23.164 in (null):D-9999 (14) and CE(126) at 20.0606 3.06345 25.6066 in (null):K-9999 (18) other bump:2.88378 Ang CB(99) at 20.7491 4.95291 25.3631 in (null):D-9999 (14) and CD(125) at 20.8914 2.39733 26.6916 in (null):K-9999 (18) other bump:2.24396 Ang CG2(93) at 19.102 1.15558 23.7569 in (null):I-9999 (13) and O(109) at 20.815 0.836 22.343 in (null):C-9999 (15) neighbor-bump: 2.17239 Ang O(103) at 22.438 3.249 23.815 in (null):D-9999 (14) and SG(108) at 24.0094 1.93212 23.0967 in (null):C-9999 (15) T0147_twice 359 :TQAMIATIASGNVHIISHPGNPKY 1gdeA 122 :VSYAPAVILAGGKPVEVPTYEEDE Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:1.52664 Ang O(29) at 27.791 -12.317 29.986 in (null):M-9999 (4) and NE2(96) at 28.075 -13.3877 31.0365 in (null):H-9999 (14) other bump:2.5369 Ang C(30) at 28.38 -11.964 28.959 in (null):M-9999 (4) and NE2(96) at 28.075 -13.3877 31.0365 in (null):H-9999 (14) other bump:2.85102 Ang CB(53) at 28.164 -12.162 33.609 in (null):I-9999 (8) and NE2(96) at 28.075 -13.3877 31.0365 in (null):H-9999 (14) other bump:2.62298 Ang CD1(56) at 30.228 -13.246 32.528 in (null):I-9999 (8) and NE2(96) at 28.075 -13.3877 31.0365 in (null):H-9999 (14) other bump:1.99918 Ang CG1(54) at 28.759 -13.39 32.915 in (null):I-9999 (8) and NE2(96) at 28.075 -13.3877 31.0365 in (null):H-9999 (14) other bump:2.44362 Ang CA(24) at 28.4 -12.885 27.73 in (null):M-9999 (4) and CE1(95) at 27.3716 -13.079 29.9382 in (null):H-9999 (14) other bump:0.871135 Ang O(29) at 27.791 -12.317 29.986 in (null):M-9999 (4) and CE1(95) at 27.3716 -13.079 29.9382 in (null):H-9999 (14) other bump:1.79414 Ang C(30) at 28.38 -11.964 28.959 in (null):M-9999 (4) and CE1(95) at 27.3716 -13.079 29.9382 in (null):H-9999 (14) other bump:2.02809 Ang OG1(48) at 25.5837 -14.0095 29.713 in (null):T-9999 (7) and CE1(95) at 27.3716 -13.079 29.9382 in (null):H-9999 (14) other bump:2.88471 Ang N(51) at 26.021 -12.287 32.361 in (null):I-9999 (8) and CE1(95) at 27.3716 -13.079 29.9382 in (null):H-9999 (14) other bump:2.26069 Ang CA(24) at 28.4 -12.885 27.73 in (null):M-9999 (4) and ND1(94) at 27.2216 -14.1542 29.183 in (null):H-9999 (14) other bump:2.08432 Ang O(29) at 27.791 -12.317 29.986 in (null):M-9999 (4) and ND1(94) at 27.2216 -14.1542 29.183 in (null):H-9999 (14) other bump:2.48779 Ang C(30) at 28.38 -11.964 28.959 in (null):M-9999 (4) and ND1(94) at 27.2216 -14.1542 29.183 in (null):H-9999 (14) other bump:1.7276 Ang OG1(48) at 25.5837 -14.0095 29.713 in (null):T-9999 (7) and ND1(94) at 27.2216 -14.1542 29.183 in (null):H-9999 (14) other bump:2.99465 Ang CG(26) at 30.166 -14.4639 28.7334 in (null):M-9999 (4) and ND1(94) at 27.2216 -14.1542 29.183 in (null):H-9999 (14) other bump:2.88635 Ang CG(26) at 30.166 -14.4639 28.7334 in (null):M-9999 (4) and CD2(93) at 28.3661 -14.7264 30.9744 in (null):H-9999 (14) other bump:2.8411 Ang CD1(56) at 30.228 -13.246 32.528 in (null):I-9999 (8) and CD2(93) at 28.3661 -14.7264 30.9744 in (null):H-9999 (14) other bump:2.38876 Ang CG1(54) at 28.759 -13.39 32.915 in (null):I-9999 (8) and CD2(93) at 28.3661 -14.7264 30.9744 in (null):H-9999 (14) other bump:3.15996 Ang CA(24) at 28.4 -12.885 27.73 in (null):M-9999 (4) and CG(92) at 27.8356 -15.1886 29.8181 in (null):H-9999 (14) other bump:2.67073 Ang CG(26) at 30.166 -14.4639 28.7334 in (null):M-9999 (4) and CG(92) at 27.8356 -15.1886 29.8181 in (null):H-9999 (14) T0147_twice 383 :EIDVKAVAEAAAKHQVALEINNSSFLHSRKGSEDNCREVAAAVRDAGGWVAL 1gdeA 147 :RLNVDELKKYVTDKTRALIINSPCNPTGAVLTKKDLEEIADFVVEHDLIVIS Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:2.59987 Ang CD1(146) at 18.599 -15.751 15.773 in (null):I-9999 (20) and CD1(384) at 18.5437 -13.2372 15.1118 in (null):L-9999 (52) other bump:2.64645 Ang CG1(144) at 19.502 -15.06 16.774 in (null):I-9999 (20) and CD1(384) at 18.5437 -13.2372 15.1118 in (null):L-9999 (52) other bump:2.79534 Ang O(117) at 15.317 -18.707 27.719 in (null):V-9999 (16) and CE3(361) at 13.0313 -17.3835 28.6343 in (null):W-9999 (49) other bump:1.83111 Ang OG(239) at 19.6973 -21.053 6.07242 in (null):S-9999 (32) and OD1(255) at 18.6787 -22.4925 5.57936 in (null):D-9999 (34) other bump:3.08507 Ang CG(160) at 21.6069 -13.5639 10.0576 in (null):N-9999 (22) and N(232) at 22.694 -16.105 8.687 in (null):G-9999 (31) other bump:2.70834 Ang N(11) at 25.443 -20.781 12.576 in (null):I-9999 (2) and NH2(220) at 26.4228 -18.5275 13.7149 in (null):R-9999 (29) other bump:2.34209 Ang C(10) at 26.222 -21.235 11.597 in (null):E-9999 (1) and NH1(219) at 25.3483 -19.0683 11.7623 in (null):R-9999 (29) other bump:1.89852 Ang N(11) at 25.443 -20.781 12.576 in (null):I-9999 (2) and NH1(219) at 25.3483 -19.0683 11.7623 in (null):R-9999 (29) other bump:2.11979 Ang CA(3) at 26.539 -20.256 10.472 in (null):E-9999 (1) and NH1(219) at 25.3483 -19.0683 11.7623 in (null):R-9999 (29) other bump:2.71917 Ang C(10) at 26.222 -21.235 11.597 in (null):E-9999 (1) and CZ(218) at 26.4392 -18.6426 12.3883 in (null):R-9999 (29) other bump:2.36654 Ang N(11) at 25.443 -20.781 12.576 in (null):I-9999 (2) and CZ(218) at 26.4392 -18.6426 12.3883 in (null):R-9999 (29) other bump:2.88745 Ang C(1) at 28.808 -19.622 11.059 in (null):G-9999 (0) and CZ(218) at 26.4392 -18.6426 12.3883 in (null):R-9999 (29) other bump:2.50701 Ang CA(3) at 26.539 -20.256 10.472 in (null):E-9999 (1) and CZ(218) at 26.4392 -18.6426 12.3883 in (null):R-9999 (29) other bump:2.04482 Ang O(0) at 28.425 -18.911 11.981 in (null):G-9999 (0) and CZ(218) at 26.4392 -18.6426 12.3883 in (null):R-9999 (29) other bump:1.87277 Ang C(1) at 28.808 -19.622 11.059 in (null):G-9999 (0) and NE(217) at 27.5551 -18.3847 11.6968 in (null):R-9999 (29) other bump:2.41765 Ang N(2) at 27.974 -20.291 10.27 in (null):E-9999 (1) and NE(217) at 27.5551 -18.3847 11.6968 in (null):R-9999 (29) other bump:2.45647 Ang CA(3) at 26.539 -20.256 10.472 in (null):E-9999 (1) and NE(217) at 27.5551 -18.3847 11.6968 in (null):R-9999 (29) other bump:1.05565 Ang O(0) at 28.425 -18.911 11.981 in (null):G-9999 (0) and NE(217) at 27.5551 -18.3847 11.6968 in (null):R-9999 (29) other bump:2.84992 Ang CB(4) at 25.6955 -20.3547 9.27028 in (null):E-9999 (1) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:2.70491 Ang CG(5) at 25.879 -19.1733 8.32721 in (null):E-9999 (1) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:1.751 Ang C(1) at 28.808 -19.622 11.059 in (null):G-9999 (0) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:1.7597 Ang N(2) at 27.974 -20.291 10.27 in (null):E-9999 (1) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:2.05687 Ang CA(3) at 26.539 -20.256 10.472 in (null):E-9999 (1) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:1.91708 Ang O(0) at 28.425 -18.911 11.981 in (null):G-9999 (0) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:2.51518 Ang CG(5) at 25.879 -19.1733 8.32721 in (null):E-9999 (1) and CG(215) at 27.2079 -17.351 9.44059 in (null):R-9999 (29) other bump:3.21511 Ang C(1) at 28.808 -19.622 11.059 in (null):G-9999 (0) and CG(215) at 27.2079 -17.351 9.44059 in (null):R-9999 (29) other bump:3.14933 Ang N(2) at 27.974 -20.291 10.27 in (null):E-9999 (1) and CG(215) at 27.2079 -17.351 9.44059 in (null):R-9999 (29) other bump:3.15438 Ang CA(3) at 26.539 -20.256 10.472 in (null):E-9999 (1) and CG(215) at 27.2079 -17.351 9.44059 in (null):R-9999 (29) other bump:1.93255 Ang O(155) at 24.588 -13.162 13.776 in (null):N-9999 (21) and OG(174) at 26.212 -13.8396 12.9771 in (null):S-9999 (24) Number of specific fragments= 8 total=515 Number of alignments=43 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1gdeA/T0147_twice-1gdeA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1gdeA read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1gdeA/T0147_twice-1gdeA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1gdeA in template set T0147_twice 20 :LSDYIAQAKQKG 1gdeA 44 :IKEYAKEALDKG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0147_twice 37 :ITDHGPDMEDAPHHW 1gdeA 56 :LTHYGPNIGLLELRE Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues self-bump: 1.37288 Ang CA(112) at 5.425 4.393 14.652 in (null):W-9999 (15) and CB(113) at 4.36909 5.19573 14.2978 in (null):W-9999 (15) other bump:2.09119 Ang O(60) at 10.411 3.885 23.509 in (null):M-9999 (8) and NE2(108) at 9.86985 3.96126 21.4905 in (null):H-9999 (14) other bump:0.816821 Ang CG(65) at 10.1778 4.69209 21.686 in (null):E-9999 (9) and NE2(108) at 9.86985 3.96126 21.4905 in (null):H-9999 (14) other bump:1.15378 Ang CD(66) at 10.6133 3.70313 20.6468 in (null):E-9999 (9) and NE2(108) at 9.86985 3.96126 21.4905 in (null):H-9999 (14) other bump:1.70936 Ang OE2(68) at 9.86312 2.86503 20.1789 in (null):E-9999 (9) and NE2(108) at 9.86985 3.96126 21.4905 in (null):H-9999 (14) other bump:2.30151 Ang CB(64) at 11.2759 5.64471 22.1876 in (null):E-9999 (9) and NE2(108) at 9.86985 3.96126 21.4905 in (null):H-9999 (14) other bump:2.55843 Ang O(60) at 10.411 3.885 23.509 in (null):M-9999 (8) and CE1(107) at 9.45519 2.71256 21.4457 in (null):H-9999 (14) other bump:2.12098 Ang CG(65) at 10.1778 4.69209 21.686 in (null):E-9999 (9) and CE1(107) at 9.45519 2.71256 21.4457 in (null):H-9999 (14) other bump:1.72067 Ang CD(66) at 10.6133 3.70313 20.6468 in (null):E-9999 (9) and CE1(107) at 9.45519 2.71256 21.4457 in (null):H-9999 (14) other bump:1.3395 Ang OE2(68) at 9.86312 2.86503 20.1789 in (null):E-9999 (9) and CE1(107) at 9.45519 2.71256 21.4457 in (null):H-9999 (14) other bump:2.92393 Ang CG(65) at 10.1778 4.69209 21.686 in (null):E-9999 (9) and ND1(106) at 8.53682 2.59844 20.4723 in (null):H-9999 (14) other bump:2.35851 Ang CD(66) at 10.6133 3.70313 20.6468 in (null):E-9999 (9) and ND1(106) at 8.53682 2.59844 20.4723 in (null):H-9999 (14) other bump:1.38427 Ang OE2(68) at 9.86312 2.86503 20.1789 in (null):E-9999 (9) and ND1(106) at 8.53682 2.59844 20.4723 in (null):H-9999 (14) other bump:1.52258 Ang CG(65) at 10.1778 4.69209 21.686 in (null):E-9999 (9) and CD2(105) at 9.21715 4.68706 20.5048 in (null):H-9999 (14) other bump:1.71392 Ang CD(66) at 10.6133 3.70313 20.6468 in (null):E-9999 (9) and CD2(105) at 9.21715 4.68706 20.5048 in (null):H-9999 (14) other bump:1.96042 Ang OE2(68) at 9.86312 2.86503 20.1789 in (null):E-9999 (9) and CD2(105) at 9.21715 4.68706 20.5048 in (null):H-9999 (14) other bump:2.8262 Ang CB(64) at 11.2759 5.64471 22.1876 in (null):E-9999 (9) and CD2(105) at 9.21715 4.68706 20.5048 in (null):H-9999 (14) other bump:2.68981 Ang CG(65) at 10.1778 4.69209 21.686 in (null):E-9999 (9) and CG(104) at 8.37245 3.82383 19.8911 in (null):H-9999 (14) other bump:2.36792 Ang CD(66) at 10.6133 3.70313 20.6468 in (null):E-9999 (9) and CG(104) at 8.37245 3.82383 19.8911 in (null):H-9999 (14) other bump:1.79562 Ang OE2(68) at 9.86312 2.86503 20.1789 in (null):E-9999 (9) and CG(104) at 8.37245 3.82383 19.8911 in (null):H-9999 (14) neighbor-bump: 2.00725 Ang O(60) at 10.411 3.885 23.509 in (null):M-9999 (8) and CG(65) at 10.1778 4.69209 21.686 in (null):E-9999 (9) neighbor-bump: 2.79436 Ang C(61) at 10.164 4.606 24.479 in (null):M-9999 (8) and CG(65) at 10.1778 4.69209 21.686 in (null):E-9999 (9) T0147_twice 55 :NMRIWPRVVDGVGILRGIEANIKN 1gdeA 71 :AIAEKLKKQNGIEADPKTEIMVLL Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:1.65596 Ang NH2(26) at 1.44521 2.80208 14.0105 in (null):R-9999 (3) and NH1(129) at 1.61805 4.43809 13.8213 in (null):R-9999 (16) other bump:2.46057 Ang NH2(26) at 1.44521 2.80208 14.0105 in (null):R-9999 (3) and CZ(128) at 1.31302 5.07371 14.9468 in (null):R-9999 (16) other bump:2.91773 Ang NH2(26) at 1.44521 2.80208 14.0105 in (null):R-9999 (3) and NE(127) at 1.97571 4.79742 16.0721 in (null):R-9999 (16) other bump:2.61109 Ang CD(22) at 3.071 -0.441235 14.472 in (null):R-9999 (3) and O(112) at 3.854 -2.59 15.732 in (null):I-9999 (14) other bump:2.66482 Ang CG(21) at 4.3441 -0.842443 13.7808 in (null):R-9999 (3) and O(112) at 3.854 -2.59 15.732 in (null):I-9999 (14) other bump:2.06064 Ang CE3(44) at 12.7068 -0.58993 6.61068 in (null):W-9999 (5) and CG2(80) at 12.4055 -2.38186 5.63886 in (null):V-9999 (9) other bump:1.72476 Ang CZ3(47) at 13.5146 -1.06245 5.57749 in (null):W-9999 (5) and CG2(80) at 12.4055 -2.38186 5.63886 in (null):V-9999 (9) other bump:2.96689 Ang CD2(42) at 13.1848 -0.661071 7.92666 in (null):W-9999 (5) and CG2(80) at 12.4055 -2.38186 5.63886 in (null):V-9999 (9) other bump:2.51003 Ang CH2(48) at 14.7818 -1.59898 5.83916 in (null):W-9999 (5) and CG2(80) at 12.4055 -2.38186 5.63886 in (null):V-9999 (9) other bump:3.2158 Ang CZ3(47) at 13.5146 -1.06245 5.57749 in (null):W-9999 (5) and CG1(79) at 14.0458 -4.14405 6.32779 in (null):V-9999 (9) other bump:2.866 Ang CZ2(46) at 15.275 -1.67845 7.11763 in (null):W-9999 (5) and CG1(79) at 14.0458 -4.14405 6.32779 in (null):V-9999 (9) other bump:2.69404 Ang CH2(48) at 14.7818 -1.59898 5.83916 in (null):W-9999 (5) and CG1(79) at 14.0458 -4.14405 6.32779 in (null):V-9999 (9) other bump:3.10011 Ang CE3(44) at 12.7068 -0.58993 6.61068 in (null):W-9999 (5) and CB(78) at 12.5872 -3.68069 6.40188 in (null):V-9999 (9) other bump:2.89737 Ang CZ3(47) at 13.5146 -1.06245 5.57749 in (null):W-9999 (5) and CB(78) at 12.5872 -3.68069 6.40188 in (null):V-9999 (9) other bump:3.07676 Ang CH2(48) at 14.7818 -1.59898 5.83916 in (null):W-9999 (5) and CB(78) at 12.5872 -3.68069 6.40188 in (null):V-9999 (9) other bump:3.19186 Ang C(28) at 6.572 -0.502 11.794 in (null):R-9999 (3) and CD(55) at 9.64601 -1.32409 11.5438 in (null):P-9999 (6) other bump:1.36241 Ang O(16) at 9.378 -0.293 12.393 in (null):M-9999 (2) and CD(55) at 9.64601 -1.32409 11.5438 in (null):P-9999 (6) other bump:2.58359 Ang C(17) at 8.998 0.658 13.069 in (null):M-9999 (2) and CD(55) at 9.64601 -1.32409 11.5438 in (null):P-9999 (6) other bump:2.0155 Ang O(16) at 9.378 -0.293 12.393 in (null):M-9999 (2) and CG(54) at 9.92853 -2.19848 12.7512 in (null):P-9999 (6) other bump:3.02098 Ang C(17) at 8.998 0.658 13.069 in (null):M-9999 (2) and CG(54) at 9.92853 -2.19848 12.7512 in (null):P-9999 (6) T0147_twice 168 :GSEDNCREVAAAVRDAGGWVALGSDSHTAFT 1gdeA 95 :GANQAFLMGLSAFLKDGEEVLIPTPAFVSYA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.8295 Ang OG(179) at 27.7835 -13.4558 19.3567 in (null):S-9999 (26) and CE2(211) at 25.812 -11.602 20.183 in (null):F-9999 (30) other bump:2.39524 Ang O(35) at 18.542 -6.091 25.928 in (null):N-9999 (5) and CG2(67) at 16.2182 -6.34654 25.4067 in (null):V-9999 (9) other bump:2.53535 Ang O(35) at 18.542 -6.091 25.928 in (null):N-9999 (5) and CB(65) at 16.5197 -7.58168 26.2686 in (null):V-9999 (9) neighbor-bump: 1.78049 Ang CZ(49) at 21.2134 -2.05538 32.5054 in (null):R-9999 (7) and OE2(60) at 19.5312 -1.88014 31.9489 in (null):E-9999 (8) neighbor-bump: 2.05314 Ang NH1(50) at 20.6033 -2.66014 33.5166 in (null):R-9999 (7) and OE2(60) at 19.5312 -1.88014 31.9489 in (null):E-9999 (8) neighbor-bump: 1.53255 Ang NH2(51) at 20.7145 -0.914487 32.0756 in (null):R-9999 (7) and OE2(60) at 19.5312 -1.88014 31.9489 in (null):E-9999 (8) neighbor-bump: 2.99679 Ang CZ(49) at 21.2134 -2.05538 32.5054 in (null):R-9999 (7) and CD(58) at 18.4368 -2.07537 31.3782 in (null):E-9999 (8) T0147_twice 363 :IATIASGNVHIISHPGNPKY 1gdeA 126 :PAVILAGGKPVEVPTYEEDE Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.52664 Ang O(0) at 27.791 -12.317 29.986 in (null):G-9999 (0) and NE2(67) at 28.075 -13.3877 31.0365 in (null):H-9999 (10) other bump:2.5369 Ang C(1) at 28.38 -11.964 28.959 in (null):G-9999 (0) and NE2(67) at 28.075 -13.3877 31.0365 in (null):H-9999 (10) other bump:2.85102 Ang CB(24) at 28.164 -12.162 33.609 in (null):I-9999 (4) and NE2(67) at 28.075 -13.3877 31.0365 in (null):H-9999 (10) other bump:2.62298 Ang CD1(27) at 30.228 -13.246 32.528 in (null):I-9999 (4) and NE2(67) at 28.075 -13.3877 31.0365 in (null):H-9999 (10) other bump:1.99918 Ang CG1(25) at 28.759 -13.39 32.915 in (null):I-9999 (4) and NE2(67) at 28.075 -13.3877 31.0365 in (null):H-9999 (10) other bump:0.871135 Ang O(0) at 27.791 -12.317 29.986 in (null):G-9999 (0) and CE1(66) at 27.3716 -13.079 29.9382 in (null):H-9999 (10) other bump:1.79414 Ang C(1) at 28.38 -11.964 28.959 in (null):G-9999 (0) and CE1(66) at 27.3716 -13.079 29.9382 in (null):H-9999 (10) other bump:2.02809 Ang OG1(19) at 25.5837 -14.0095 29.713 in (null):T-9999 (3) and CE1(66) at 27.3716 -13.079 29.9382 in (null):H-9999 (10) other bump:2.88471 Ang N(22) at 26.021 -12.287 32.361 in (null):I-9999 (4) and CE1(66) at 27.3716 -13.079 29.9382 in (null):H-9999 (10) other bump:2.08432 Ang O(0) at 27.791 -12.317 29.986 in (null):G-9999 (0) and ND1(65) at 27.2216 -14.1542 29.183 in (null):H-9999 (10) other bump:2.48779 Ang C(1) at 28.38 -11.964 28.959 in (null):G-9999 (0) and ND1(65) at 27.2216 -14.1542 29.183 in (null):H-9999 (10) other bump:1.7276 Ang OG1(19) at 25.5837 -14.0095 29.713 in (null):T-9999 (3) and ND1(65) at 27.2216 -14.1542 29.183 in (null):H-9999 (10) other bump:2.8411 Ang CD1(27) at 30.228 -13.246 32.528 in (null):I-9999 (4) and CD2(64) at 28.3661 -14.7264 30.9744 in (null):H-9999 (10) other bump:2.38876 Ang CG1(25) at 28.759 -13.39 32.915 in (null):I-9999 (4) and CD2(64) at 28.3661 -14.7264 30.9744 in (null):H-9999 (10) T0147_twice 383 :EIDVKAVAEAAAKHQVALEINNSSFLHSRKGSEDNCREVAAAVRDAGGWVAL 1gdeA 147 :RLNVDELKKYVTDKTRALIINSPCNPTGAVLTKKDLEEIADFVVEHDLIVIS Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:2.59987 Ang CD1(146) at 18.599 -15.751 15.773 in (null):I-9999 (20) and CD1(384) at 18.5437 -13.2372 15.1118 in (null):L-9999 (52) other bump:2.64645 Ang CG1(144) at 19.502 -15.06 16.774 in (null):I-9999 (20) and CD1(384) at 18.5437 -13.2372 15.1118 in (null):L-9999 (52) other bump:2.79534 Ang O(117) at 15.317 -18.707 27.719 in (null):V-9999 (16) and CE3(361) at 13.0313 -17.3835 28.6343 in (null):W-9999 (49) other bump:1.83111 Ang OG(239) at 19.6973 -21.053 6.07242 in (null):S-9999 (32) and OD1(255) at 18.6787 -22.4925 5.57936 in (null):D-9999 (34) other bump:3.08507 Ang CG(160) at 21.6069 -13.5639 10.0576 in (null):N-9999 (22) and N(232) at 22.694 -16.105 8.687 in (null):G-9999 (31) other bump:2.70834 Ang N(11) at 25.443 -20.781 12.576 in (null):I-9999 (2) and NH2(220) at 26.4228 -18.5275 13.7149 in (null):R-9999 (29) other bump:2.34209 Ang C(10) at 26.222 -21.235 11.597 in (null):E-9999 (1) and NH1(219) at 25.3483 -19.0683 11.7623 in (null):R-9999 (29) other bump:1.89852 Ang N(11) at 25.443 -20.781 12.576 in (null):I-9999 (2) and NH1(219) at 25.3483 -19.0683 11.7623 in (null):R-9999 (29) other bump:2.11979 Ang CA(3) at 26.539 -20.256 10.472 in (null):E-9999 (1) and NH1(219) at 25.3483 -19.0683 11.7623 in (null):R-9999 (29) other bump:2.71917 Ang C(10) at 26.222 -21.235 11.597 in (null):E-9999 (1) and CZ(218) at 26.4392 -18.6426 12.3883 in (null):R-9999 (29) other bump:2.36654 Ang N(11) at 25.443 -20.781 12.576 in (null):I-9999 (2) and CZ(218) at 26.4392 -18.6426 12.3883 in (null):R-9999 (29) other bump:2.88745 Ang C(1) at 28.808 -19.622 11.059 in (null):G-9999 (0) and CZ(218) at 26.4392 -18.6426 12.3883 in (null):R-9999 (29) other bump:2.50701 Ang CA(3) at 26.539 -20.256 10.472 in (null):E-9999 (1) and CZ(218) at 26.4392 -18.6426 12.3883 in (null):R-9999 (29) other bump:2.04482 Ang O(0) at 28.425 -18.911 11.981 in (null):G-9999 (0) and CZ(218) at 26.4392 -18.6426 12.3883 in (null):R-9999 (29) other bump:1.87277 Ang C(1) at 28.808 -19.622 11.059 in (null):G-9999 (0) and NE(217) at 27.5551 -18.3847 11.6968 in (null):R-9999 (29) other bump:2.41765 Ang N(2) at 27.974 -20.291 10.27 in (null):E-9999 (1) and NE(217) at 27.5551 -18.3847 11.6968 in (null):R-9999 (29) other bump:2.45647 Ang CA(3) at 26.539 -20.256 10.472 in (null):E-9999 (1) and NE(217) at 27.5551 -18.3847 11.6968 in (null):R-9999 (29) other bump:1.05565 Ang O(0) at 28.425 -18.911 11.981 in (null):G-9999 (0) and NE(217) at 27.5551 -18.3847 11.6968 in (null):R-9999 (29) other bump:2.84992 Ang CB(4) at 25.6955 -20.3547 9.27028 in (null):E-9999 (1) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:2.70491 Ang CG(5) at 25.879 -19.1733 8.32721 in (null):E-9999 (1) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:1.751 Ang C(1) at 28.808 -19.622 11.059 in (null):G-9999 (0) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:1.7597 Ang N(2) at 27.974 -20.291 10.27 in (null):E-9999 (1) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:2.05687 Ang CA(3) at 26.539 -20.256 10.472 in (null):E-9999 (1) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:1.91708 Ang O(0) at 28.425 -18.911 11.981 in (null):G-9999 (0) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:2.51518 Ang CG(5) at 25.879 -19.1733 8.32721 in (null):E-9999 (1) and CG(215) at 27.2079 -17.351 9.44059 in (null):R-9999 (29) other bump:3.21511 Ang C(1) at 28.808 -19.622 11.059 in (null):G-9999 (0) and CG(215) at 27.2079 -17.351 9.44059 in (null):R-9999 (29) other bump:3.14933 Ang N(2) at 27.974 -20.291 10.27 in (null):E-9999 (1) and CG(215) at 27.2079 -17.351 9.44059 in (null):R-9999 (29) other bump:3.15438 Ang CA(3) at 26.539 -20.256 10.472 in (null):E-9999 (1) and CG(215) at 27.2079 -17.351 9.44059 in (null):R-9999 (29) other bump:1.93255 Ang O(155) at 24.588 -13.162 13.776 in (null):N-9999 (21) and OG(174) at 26.212 -13.8396 12.9771 in (null):S-9999 (24) Number of specific fragments= 6 total=521 Number of alignments=44 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/4ubpC/T0147_twice-4ubpC-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 4ubpC read from /projects/compbio/experiments/casp5/t0147/t0147_twice/4ubpC/T0147_twice-4ubpC-2track-protein-STR-local-adpstyle1.pw.a2m.gz # adding 4ubpC to template set 4ubpC:# found chain 4ubpC in template set T0147_twice 4 :VDLHMHTVASTH 4ubpC 134 :IDTHVHFINPDQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.12617 Ang C(71) at 12.943 72.393 73.165 in (null):A-9999 (9) and CE1(91) at 14.3582 74.4524 71.2865 in (null):H-9999 (12) other bump:2.58891 Ang O(70) at 13.401 73.49 73.491 in (null):A-9999 (9) and CE1(91) at 14.3582 74.4524 71.2865 in (null):H-9999 (12) other bump:2.60314 Ang C(71) at 12.943 72.393 73.165 in (null):A-9999 (9) and ND1(90) at 14.3024 74.5388 72.5957 in (null):H-9999 (12) other bump:1.6474 Ang O(70) at 13.401 73.49 73.491 in (null):A-9999 (9) and ND1(90) at 14.3024 74.5388 72.5957 in (null):H-9999 (12) T0147_twice 24 :IAQAKQKGIKLF 4ubpC 146 :VDVALANGITTL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:1.98693 Ang CB(26) at 15.772 82.186 73.468 in (null):A-9999 (4) and CZ(93) at 16.7172 81.7065 71.7873 in (null):F-9999 (12) other bump:2.94631 Ang CB(26) at 15.772 82.186 73.468 in (null):A-9999 (4) and CE2(92) at 17.891 80.9996 71.7998 in (null):F-9999 (12) other bump:2.89159 Ang CB(26) at 15.772 82.186 73.468 in (null):A-9999 (4) and CE1(91) at 16.0322 81.9302 70.5995 in (null):F-9999 (12) T0147_twice 44 :MEDAPHHW 4ubpC 174 :TPGPWNIE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues self-bump: 1.36012 Ang CA(11) at 23.483 65.947 60.646 in (null):E-9999 (2) and CB(12) at 24.8095 65.892 60.3504 in (null):E-9999 (2) T0147_twice 58 :IWPRVVDGVGI 4ubpC 182 :KMLKSTEGLPI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.85866 Ang CA(32) at 10.429 72.179 58.341 in (null):R-9999 (4) and OD2(61) at 8.96882 74.583 57.8305 in (null):D-9999 (7) other bump:2.10869 Ang O(29) at 11.911 74.447 58.536 in (null):P-9999 (3) and CG1(52) at 12.7545 75.8908 59.8207 in (null):V-9999 (6) other bump:2.87429 Ang C(30) at 12.549 73.386 58.426 in (null):P-9999 (3) and CG1(52) at 12.7545 75.8908 59.8207 in (null):V-9999 (6) other bump:3.00507 Ang C(1) at 14.282 69.086 56.904 in (null):G-9999 (0) and CD(28) at 15.5364 71.4147 58.3302 in (null):P-9999 (3) T0147_twice 125 :NVHIISHPGNPK 4ubpC 193 :NVGILGKGHGSS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:1.82216 Ang ND2(74) at 34.339 65.716 54.5878 in (null):N-9999 (10) and O(92) at 34.185 64.958 52.938 in (null):K-9999 (12) other bump:3.11152 Ang CD2(53) at 30.188 65.4656 61.1269 in (null):H-9999 (7) and CA(67) at 33.073 66.084 60.139 in (null):G-9999 (9) neighbor-bump: 2.20388 Ang CA(50) at 28.148 68.163 61.05 in (null):H-9999 (7) and CD(63) at 29.6499 69.4957 61.9585 in (null):P-9999 (8) neighbor-bump: 1.94615 Ang C(58) at 29.419 68.509 60.297 in (null):H-9999 (7) and CD(63) at 29.6499 69.4957 61.9585 in (null):P-9999 (8) self-bump: 1.29994 Ang N(59) at 30.371 69.155 60.932 in (null):P-9999 (8) and CD(63) at 29.6499 69.4957 61.9585 in (null):P-9999 (8) self-bump: 2.07266 Ang N(59) at 30.371 69.155 60.932 in (null):P-9999 (8) and CG(62) at 30.8054 70.0072 62.7707 in (null):P-9999 (8) self-bump: 2.15769 Ang N(59) at 30.371 69.155 60.932 in (null):P-9999 (8) and CB(61) at 31.7989 70.5292 61.7856 in (null):P-9999 (8) T0147_twice 141 :VKAVAEAAAKHQVA 4ubpC 205 :IAPIMEQIDAGAAG Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.34423 Ang CB(96) at 28.2711 77.2536 58.7032 in (null):A-9999 (14) and N(99) at 28.619 75.137 59.649 in (null):G-9999 (15) self-bump: 2.14478 Ang CB(96) at 28.2711 77.2536 58.7032 in (null):A-9999 (14) and C(98) at 27.462 75.293 59.022 in (null):A-9999 (14) self-bump: 1.23108 Ang CA(95) at 27.169 76.717 58.589 in (null):A-9999 (14) and CB(96) at 28.2711 77.2536 58.7032 in (null):A-9999 (14) other bump:2.75041 Ang CA(45) at 24.612 69.372 54.154 in (null):A-9999 (7) and NE2(84) at 24.7137 70.1041 56.8032 in (null):Q-9999 (12) other bump:1.69636 Ang CB(46) at 25.342 69.269 55.467 in (null):A-9999 (7) and NE2(84) at 24.7137 70.1041 56.8032 in (null):Q-9999 (12) other bump:3.00805 Ang CB(46) at 25.342 69.269 55.467 in (null):A-9999 (7) and CD(82) at 24.1913 70.9465 57.6829 in (null):Q-9999 (12) neighbor-bump: 2.82267 Ang C(67) at 19.873 71.923 52.502 in (null):K-9999 (10) and CD2(72) at 18.1523 73.7208 51.1699 in (null):H-9999 (11) neighbor-bump: 2.53506 Ang O(66) at 18.663 71.807 52.752 in (null):K-9999 (10) and CD2(72) at 18.1523 73.7208 51.1699 in (null):H-9999 (11) neighbor-bump: 2.38751 Ang O(66) at 18.663 71.807 52.752 in (null):K-9999 (10) and CG(71) at 17.7781 74.0024 52.4402 in (null):H-9999 (11) T0147_twice 158 :NNSS 4ubpC 222 :HEDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 167 :KGSEDNCREVAAAVRDAGGWVALGSDS 4ubpC 226 :GATPASIDRSLTVADEADVQVAIHSDT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.94936 Ang CD2(164) at 37.7761 73.8728 67.7871 in (null):L-9999 (23) and CB(173) at 39.41 72.395 69.748 in (null):S-9999 (25) other bump:3.15589 Ang CD2(164) at 37.7761 73.8728 67.7871 in (null):L-9999 (23) and CA(172) at 38.239 71.405 69.699 in (null):S-9999 (25) neighbor-bump: 3.08383 Ang NE1(141) at 32.4758 80.4341 63.0326 in (null):W-9999 (20) and C(153) at 32.707 77.441 62.327 in (null):V-9999 (21) neighbor-bump: 2.63343 Ang CD1(137) at 32.1266 80.4196 61.7087 in (null):W-9999 (20) and O(152) at 33.484 78.36 62.631 in (null):V-9999 (21) neighbor-bump: 2.34089 Ang NE1(141) at 32.4758 80.4341 63.0326 in (null):W-9999 (20) and O(152) at 33.484 78.36 62.631 in (null):V-9999 (21) other bump:2.24097 Ang CG2(98) at 32.8262 76.0788 56.6371 in (null):V-9999 (14) and CG2(151) at 33.485 76.06 58.779 in (null):V-9999 (21) neighbor-bump: 2.64135 Ang CD1(137) at 32.1266 80.4196 61.7087 in (null):W-9999 (20) and N(147) at 32.111 78.296 60.138 in (null):V-9999 (21) other bump:2.11649 Ang CG1(97) at 33.2674 78.4672 56.0402 in (null):V-9999 (14) and O(131) at 31.574 79.688 56.389 in (null):G-9999 (19) Number of specific fragments= 8 total=529 Number of alignments=45 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/4ubpC/T0147_twice-4ubpC-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 4ubpC read from /projects/compbio/experiments/casp5/t0147/t0147_twice/4ubpC/T0147_twice-4ubpC-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 4ubpC in template set T0147_twice 3 :PVDLHMHTVAST 4ubpC 133 :GIDTHVHFINPD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0147_twice 23 :YIAQAKQKGIKLF 4ubpC 145 :QVDVALANGITTL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.98693 Ang CB(38) at 15.772 82.186 73.468 in (null):A-9999 (5) and CZ(105) at 16.7172 81.7065 71.7873 in (null):F-9999 (13) other bump:2.94631 Ang CB(38) at 15.772 82.186 73.468 in (null):A-9999 (5) and CE2(104) at 17.891 80.9996 71.7998 in (null):F-9999 (13) other bump:2.89159 Ang CB(38) at 15.772 82.186 73.468 in (null):A-9999 (5) and CE1(103) at 16.0322 81.9302 70.5995 in (null):F-9999 (13) T0147_twice 42 :PDMEDAPHH 4ubpC 161 :GTGPAEGSK Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.71965 Ang C(33) at 17.558 63.946 72.427 in (null):E-9999 (4) and NE2(71) at 18.3396 65.5611 74.4708 in (null):H-9999 (9) other bump:2.23853 Ang CA(26) at 16.907 65.279 72.774 in (null):E-9999 (4) and NE2(71) at 18.3396 65.5611 74.4708 in (null):H-9999 (9) other bump:2.75842 Ang CB(27) at 15.6462 65.3832 73.9024 in (null):E-9999 (4) and NE2(71) at 18.3396 65.5611 74.4708 in (null):H-9999 (9) other bump:2.75785 Ang C(33) at 17.558 63.946 72.427 in (null):E-9999 (4) and CD2(68) at 19.4916 65.4381 73.7078 in (null):H-9999 (9) other bump:2.75272 Ang CA(26) at 16.907 65.279 72.774 in (null):E-9999 (4) and CD2(68) at 19.4916 65.4381 73.7078 in (null):H-9999 (9) other bump:2.32393 Ang CB(11) at 17.6664 66.0037 65.4831 in (null):D-9999 (2) and NE2(61) at 19.8831 65.6156 66.0629 in (null):H-9999 (8) other bump:2.6799 Ang N(9) at 18.385 67.912 66.745 in (null):D-9999 (2) and CE1(60) at 20.5479 66.7045 65.7224 in (null):H-9999 (8) other bump:2.97518 Ang CB(11) at 17.6664 66.0037 65.4831 in (null):D-9999 (2) and CE1(60) at 20.5479 66.7045 65.7224 in (null):H-9999 (8) other bump:3.06496 Ang C(8) at 18.749 69.114 66.316 in (null):P-9999 (1) and CE1(60) at 20.5479 66.7045 65.7224 in (null):H-9999 (8) other bump:3.08775 Ang CA(3) at 20.093 69.544 66.847 in (null):P-9999 (1) and CE1(60) at 20.5479 66.7045 65.7224 in (null):H-9999 (8) other bump:2.5784 Ang N(9) at 18.385 67.912 66.745 in (null):D-9999 (2) and ND1(59) at 20.898 67.3407 66.8267 in (null):H-9999 (8) other bump:2.8326 Ang C(8) at 18.749 69.114 66.316 in (null):P-9999 (1) and ND1(59) at 20.898 67.3407 66.8267 in (null):H-9999 (8) other bump:2.34587 Ang CA(3) at 20.093 69.544 66.847 in (null):P-9999 (1) and ND1(59) at 20.898 67.3407 66.8267 in (null):H-9999 (8) other bump:2.83999 Ang N(9) at 18.385 67.912 66.745 in (null):D-9999 (2) and CD2(58) at 19.8035 65.5496 67.4324 in (null):H-9999 (8) other bump:2.92801 Ang CB(11) at 17.6664 66.0037 65.4831 in (null):D-9999 (2) and CD2(58) at 19.8035 65.5496 67.4324 in (null):H-9999 (8) other bump:3.00071 Ang CB(36) at 19.2444 63.2317 69.2542 in (null):D-9999 (5) and CD2(58) at 19.8035 65.5496 67.4324 in (null):H-9999 (8) other bump:2.69167 Ang N(9) at 18.385 67.912 66.745 in (null):D-9999 (2) and CG(57) at 20.4434 66.6378 67.9217 in (null):H-9999 (8) other bump:3.11827 Ang CA(3) at 20.093 69.544 66.847 in (null):P-9999 (1) and CG(57) at 20.4434 66.6378 67.9217 in (null):H-9999 (8) other bump:2.64726 Ang CG(37) at 20.2238 62.2804 68.5606 in (null):D-9999 (5) and CD(51) at 22.7359 61.9632 69.333 in (null):P-9999 (7) other bump:2.02929 Ang OD1(38) at 20.7971 61.377 69.2096 in (null):D-9999 (5) and CD(51) at 22.7359 61.9632 69.333 in (null):P-9999 (7) neighbor-bump: 2.6971 Ang SD(21) at 13.0138 65.3546 70.9482 in (null):M-9999 (3) and OE1(30) at 14.0375 67.1927 72.6358 in (null):E-9999 (4) neighbor-bump: 2.24606 Ang CG(20) at 14.641 64.8682 70.3424 in (null):M-9999 (3) and N(25) at 16.122 65.867 71.704 in (null):E-9999 (4) neighbor-bump: 2.05475 Ang O(15) at 15.178 66.354 67.237 in (null):D-9999 (2) and CB(19) at 15.0922 65.7676 69.2044 in (null):M-9999 (3) neighbor-bump: 2.41372 Ang C(16) at 16.184 67.015 67.45 in (null):D-9999 (2) and CB(19) at 15.0922 65.7676 69.2044 in (null):M-9999 (3) neighbor-bump: 1.34282 Ang O(0) at 21.475 71.814 67.783 in (null):G-9999 (0) and CD(6) at 20.6718 71.9198 66.7121 in (null):P-9999 (1) neighbor-bump: 0.683236 Ang C(1) at 21.286 71.648 66.587 in (null):G-9999 (0) and CD(6) at 20.6718 71.9198 66.7121 in (null):P-9999 (1) neighbor-bump: 1.82031 Ang O(0) at 21.475 71.814 67.783 in (null):G-9999 (0) and CG(5) at 19.6584 71.7017 67.8117 in (null):P-9999 (1) neighbor-bump: 2.0376 Ang C(1) at 21.286 71.648 66.587 in (null):G-9999 (0) and CG(5) at 19.6584 71.7017 67.8117 in (null):P-9999 (1) neighbor-bump: 2.23959 Ang O(0) at 21.475 71.814 67.783 in (null):G-9999 (0) and CB(4) at 19.9009 70.2781 68.2062 in (null):P-9999 (1) neighbor-bump: 2.53315 Ang C(1) at 21.286 71.648 66.587 in (null):G-9999 (0) and CB(4) at 19.9009 70.2781 68.2062 in (null):P-9999 (1) T0147_twice 52 :HFINMRIWPRVVDGVGILRG 4ubpC 176 :GPWNIEKMLKSTEGLPINVG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.81999 Ang C(79) at 14.279 72.015 60.399 in (null):W-9999 (8) and NH1(158) at 15.3669 73.837 62.2562 in (null):R-9999 (19) other bump:2.85866 Ang CA(88) at 10.429 72.179 58.341 in (null):R-9999 (10) and OD2(117) at 8.96882 74.583 57.8305 in (null):D-9999 (13) other bump:2.87429 Ang C(86) at 12.549 73.386 58.426 in (null):P-9999 (9) and CG1(108) at 12.7545 75.8908 59.8207 in (null):V-9999 (12) other bump:2.10869 Ang O(85) at 11.911 74.447 58.536 in (null):P-9999 (9) and CG1(108) at 12.7545 75.8908 59.8207 in (null):V-9999 (12) other bump:3.00507 Ang C(57) at 14.282 69.086 56.904 in (null):R-9999 (6) and CD(84) at 15.5364 71.4147 58.3302 in (null):P-9999 (9) other bump:1.39271 Ang O(45) at 16.561 70.589 57.874 in (null):M-9999 (5) and CD(84) at 15.5364 71.4147 58.3302 in (null):P-9999 (9) other bump:2.5832 Ang C(46) at 17.176 69.63 57.436 in (null):M-9999 (5) and CD(84) at 15.5364 71.4147 58.3302 in (null):P-9999 (9) other bump:2.03023 Ang O(45) at 16.561 70.589 57.874 in (null):M-9999 (5) and CG(83) at 15.905 72.4023 57.2388 in (null):P-9999 (9) other bump:3.05614 Ang C(46) at 17.176 69.63 57.436 in (null):M-9999 (5) and CG(83) at 15.905 72.4023 57.2388 in (null):P-9999 (9) other bump:2.59448 Ang O(37) at 16.891 67.936 59.818 in (null):N-9999 (4) and CD1(70) at 17.1494 68.5397 62.328 in (null):W-9999 (8) other bump:2.90785 Ang CG1(26) at 17.3367 62.3491 54.4609 in (null):I-9999 (3) and NH2(55) at 16.2375 63.9987 52.3334 in (null):R-9999 (6) T0147_twice 128 :IISHPGNPK 4ubpC 196 :ILGKGHGSS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.82216 Ang ND2(49) at 34.339 65.716 54.5878 in (null):N-9999 (7) and O(67) at 34.185 64.958 52.938 in (null):K-9999 (9) other bump:3.11152 Ang CD2(28) at 30.188 65.4656 61.1269 in (null):H-9999 (4) and CA(42) at 33.073 66.084 60.139 in (null):G-9999 (6) neighbor-bump: 1.94615 Ang C(33) at 29.419 68.509 60.297 in (null):H-9999 (4) and CD(38) at 29.6499 69.4957 61.9585 in (null):P-9999 (5) neighbor-bump: 2.20388 Ang CA(25) at 28.148 68.163 61.05 in (null):H-9999 (4) and CD(38) at 29.6499 69.4957 61.9585 in (null):P-9999 (5) self-bump: 1.29994 Ang N(34) at 30.371 69.155 60.932 in (null):P-9999 (5) and CD(38) at 29.6499 69.4957 61.9585 in (null):P-9999 (5) self-bump: 2.07266 Ang N(34) at 30.371 69.155 60.932 in (null):P-9999 (5) and CG(37) at 30.8054 70.0072 62.7707 in (null):P-9999 (5) self-bump: 2.15769 Ang N(34) at 30.371 69.155 60.932 in (null):P-9999 (5) and CB(36) at 31.7989 70.5292 61.7856 in (null):P-9999 (5) T0147_twice 141 :VKAVAEAAAKHQVA 4ubpC 205 :IAPIMEQIDAGAAG Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.34423 Ang CB(96) at 28.2711 77.2536 58.7032 in (null):A-9999 (14) and N(99) at 28.619 75.137 59.649 in (null):G-9999 (15) self-bump: 2.14478 Ang CB(96) at 28.2711 77.2536 58.7032 in (null):A-9999 (14) and C(98) at 27.462 75.293 59.022 in (null):A-9999 (14) self-bump: 1.23108 Ang CA(95) at 27.169 76.717 58.589 in (null):A-9999 (14) and CB(96) at 28.2711 77.2536 58.7032 in (null):A-9999 (14) other bump:2.75041 Ang CA(45) at 24.612 69.372 54.154 in (null):A-9999 (7) and NE2(84) at 24.7137 70.1041 56.8032 in (null):Q-9999 (12) other bump:1.69636 Ang CB(46) at 25.342 69.269 55.467 in (null):A-9999 (7) and NE2(84) at 24.7137 70.1041 56.8032 in (null):Q-9999 (12) other bump:3.00805 Ang CB(46) at 25.342 69.269 55.467 in (null):A-9999 (7) and CD(82) at 24.1913 70.9465 57.6829 in (null):Q-9999 (12) neighbor-bump: 2.82267 Ang C(67) at 19.873 71.923 52.502 in (null):K-9999 (10) and CD2(72) at 18.1523 73.7208 51.1699 in (null):H-9999 (11) neighbor-bump: 2.53506 Ang O(66) at 18.663 71.807 52.752 in (null):K-9999 (10) and CD2(72) at 18.1523 73.7208 51.1699 in (null):H-9999 (11) neighbor-bump: 2.38751 Ang O(66) at 18.663 71.807 52.752 in (null):K-9999 (10) and CG(71) at 17.7781 74.0024 52.4402 in (null):H-9999 (11) T0147_twice 158 :NNSS 4ubpC 222 :HEDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 167 :KGSEDNCREVAAAVRDAGGWVALGSDSHTAFTM 4ubpC 226 :GATPASIDRSLTVADEADVQVAIHSDTLNEAGF Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.72299 Ang OE2(27) at 45.8486 67.0535 64.8663 in (null):E-9999 (4) and CB(226) at 46.873 67.9659 67.2185 in (null):T-9999 (32) other bump:2.94936 Ang CD2(164) at 37.7761 73.8728 67.7871 in (null):L-9999 (23) and CB(173) at 39.41 72.395 69.748 in (null):S-9999 (25) other bump:3.15589 Ang CD2(164) at 37.7761 73.8728 67.7871 in (null):L-9999 (23) and CA(172) at 38.239 71.405 69.699 in (null):S-9999 (25) neighbor-bump: 3.08383 Ang NE1(141) at 32.4758 80.4341 63.0326 in (null):W-9999 (20) and C(153) at 32.707 77.441 62.327 in (null):V-9999 (21) neighbor-bump: 2.63343 Ang CD1(137) at 32.1266 80.4196 61.7087 in (null):W-9999 (20) and O(152) at 33.484 78.36 62.631 in (null):V-9999 (21) neighbor-bump: 2.34089 Ang NE1(141) at 32.4758 80.4341 63.0326 in (null):W-9999 (20) and O(152) at 33.484 78.36 62.631 in (null):V-9999 (21) other bump:2.24097 Ang CG2(98) at 32.8262 76.0788 56.6371 in (null):V-9999 (14) and CG2(151) at 33.485 76.06 58.779 in (null):V-9999 (21) neighbor-bump: 2.64135 Ang CD1(137) at 32.1266 80.4196 61.7087 in (null):W-9999 (20) and N(147) at 32.111 78.296 60.138 in (null):V-9999 (21) other bump:2.11649 Ang CG1(97) at 33.2674 78.4672 56.0402 in (null):V-9999 (14) and O(131) at 31.574 79.688 56.389 in (null):G-9999 (19) T0147_twice 216 :PERILNVSPRRLLNFLESRG 4ubpC 259 :LEDTLRAINGRVIHSFHVEG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:3.12054 Ang CD1(123) at 37.3864 78.7114 71.125 in (null):F-9999 (15) and CA(148) at 36.884 79.8 74.006 in (null):S-9999 (18) other bump:3.00316 Ang CE1(125) at 37.9506 77.7943 72.0417 in (null):F-9999 (15) and CA(148) at 36.884 79.8 74.006 in (null):S-9999 (18) other bump:2.54476 Ang OG(63) at 41.5961 76.1362 62.1665 in (null):S-9999 (8) and CD1(107) at 39.2367 77.0587 62.4075 in (null):L-9999 (13) neighbor-bump: 1.7262 Ang CA(61) at 42.908 75.763 60.329 in (null):S-9999 (8) and CD(70) at 44.3342 75.4805 59.3984 in (null):P-9999 (9) other bump:3.18181 Ang CA(54) at 44.879 72.493 60.348 in (null):V-9999 (7) and CD(70) at 44.3342 75.4805 59.3984 in (null):P-9999 (9) other bump:2.1243 Ang O(58) at 43.55 73.637 58.692 in (null):V-9999 (7) and CD(70) at 44.3342 75.4805 59.3984 in (null):P-9999 (9) other bump:1.95523 Ang C(59) at 43.954 73.619 59.86 in (null):V-9999 (7) and CD(70) at 44.3342 75.4805 59.3984 in (null):P-9999 (9) neighbor-bump: 1.70201 Ang N(60) at 43.707 74.606 60.717 in (null):S-9999 (8) and CD(70) at 44.3342 75.4805 59.3984 in (null):P-9999 (9) neighbor-bump: 2.32784 Ang O(64) at 43.031 77.057 58.287 in (null):S-9999 (8) and CD(70) at 44.3342 75.4805 59.3984 in (null):P-9999 (9) neighbor-bump: 1.27328 Ang C(65) at 43.629 76.524 59.211 in (null):S-9999 (8) and CD(70) at 44.3342 75.4805 59.3984 in (null):P-9999 (9) self-bump: 1.33765 Ang N(66) at 44.94 76.673 59.379 in (null):P-9999 (9) and CD(70) at 44.3342 75.4805 59.3984 in (null):P-9999 (9) neighbor-bump: 2.65215 Ang CA(61) at 42.908 75.763 60.329 in (null):S-9999 (8) and CG(69) at 44.0086 75.4877 57.9318 in (null):P-9999 (9) other bump:2.05265 Ang O(58) at 43.55 73.637 58.692 in (null):V-9999 (7) and CG(69) at 44.0086 75.4877 57.9318 in (null):P-9999 (9) other bump:2.68572 Ang C(59) at 43.954 73.619 59.86 in (null):V-9999 (7) and CG(69) at 44.0086 75.4877 57.9318 in (null):P-9999 (9) neighbor-bump: 2.93698 Ang N(60) at 43.707 74.606 60.717 in (null):S-9999 (8) and CG(69) at 44.0086 75.4877 57.9318 in (null):P-9999 (9) neighbor-bump: 1.88273 Ang O(64) at 43.031 77.057 58.287 in (null):S-9999 (8) and CG(69) at 44.0086 75.4877 57.9318 in (null):P-9999 (9) neighbor-bump: 1.68952 Ang C(65) at 43.629 76.524 59.211 in (null):S-9999 (8) and CG(69) at 44.0086 75.4877 57.9318 in (null):P-9999 (9) self-bump: 2.08971 Ang N(66) at 44.94 76.673 59.379 in (null):P-9999 (9) and CG(69) at 44.0086 75.4877 57.9318 in (null):P-9999 (9) neighbor-bump: 2.54516 Ang C(65) at 43.629 76.524 59.211 in (null):S-9999 (8) and CB(68) at 45.2613 76.0298 57.3218 in (null):P-9999 (9) T0147_twice 281 :AITDHGPDMEDAPHHWHFINMRIWPRVVDGVG 4ubpC 279 :AGGGHAPDIMAMAGHPNVLPSSTNPTRPFTVN Fragment has 50 clashes (null) has 50 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.56587 Ang CG1(236) at 32.0178 87.581 87.145 in (null):V-9999 (28) and N(240) at 32.834 85.19 86.697 in (null):D-9999 (29) neighbor-bump: 2.69019 Ang CB(228) at 30.8917 85.2923 82.5997 in (null):V-9999 (27) and CA(234) at 31.042 85.969 85.199 in (null):V-9999 (28) neighbor-bump: 2.25019 Ang CG1(229) at 30.4866 86.6556 83.1293 in (null):V-9999 (27) and CA(234) at 31.042 85.969 85.199 in (null):V-9999 (28) neighbor-bump: 2.94246 Ang CG2(230) at 32.4096 85.1041 82.7414 in (null):V-9999 (27) and CA(234) at 31.042 85.969 85.199 in (null):V-9999 (28) neighbor-bump: 2.21659 Ang CG1(229) at 30.4866 86.6556 83.1293 in (null):V-9999 (27) and N(233) at 29.662 85.662 84.931 in (null):V-9999 (28) self-bump: 2.41623 Ang CG1(229) at 30.4866 86.6556 83.1293 in (null):V-9999 (27) and C(232) at 29.165 84.842 84.025 in (null):V-9999 (27) self-bump: 1.34935 Ang CA(227) at 30.08 84.275 82.956 in (null):V-9999 (27) and CB(228) at 30.8917 85.2923 82.5997 in (null):V-9999 (27) other bump:2.22634 Ang CB(4) at 34.535 75.714 81.513 in (null):A-9999 (1) and NH1(222) at 35.9317 76.7644 82.8923 in (null):R-9999 (26) other bump:2.5253 Ang CG2(11) at 31.0424 75.407 75.8837 in (null):I-9999 (2) and CD1(191) at 30.2561 76.7954 77.841 in (null):I-9999 (23) other bump:1.50123 Ang CD1(12) at 31.2265 77.9396 77.8928 in (null):I-9999 (2) and CD1(191) at 30.2561 76.7954 77.841 in (null):I-9999 (23) other bump:2.26491 Ang CB(9) at 32.0296 75.6515 77.0189 in (null):I-9999 (2) and CD1(191) at 30.2561 76.7954 77.841 in (null):I-9999 (23) other bump:1.2196 Ang CG1(10) at 31.3844 76.439 78.1363 in (null):I-9999 (2) and CD1(191) at 30.2561 76.7954 77.841 in (null):I-9999 (23) other bump:1.07762 Ang CD1(12) at 31.2265 77.9396 77.8928 in (null):I-9999 (2) and CG1(189) at 30.2839 78.337 77.5539 in (null):I-9999 (23) other bump:2.27001 Ang CG1(10) at 31.3844 76.439 78.1363 in (null):I-9999 (2) and CG1(189) at 30.2839 78.337 77.5539 in (null):I-9999 (23) other bump:2.54388 Ang CD1(12) at 31.2265 77.9396 77.8928 in (null):I-9999 (2) and CB(188) at 29.2943 78.8162 76.4894 in (null):I-9999 (23) other bump:2.09764 Ang CG(143) at 39.4244 82.2947 67.3336 in (null):F-9999 (18) and OD1(164) at 38.4902 82.3725 69.2102 in (null):N-9999 (20) other bump:2.44785 Ang CD1(144) at 38.8676 81.0435 67.1894 in (null):F-9999 (18) and OD1(164) at 38.4902 82.3725 69.2102 in (null):N-9999 (20) other bump:1.16121 Ang CD2(145) at 39.1764 82.979 68.4963 in (null):F-9999 (18) and OD1(164) at 38.4902 82.3725 69.2102 in (null):N-9999 (20) other bump:2.17574 Ang CE1(146) at 38.1093 80.4832 68.2004 in (null):F-9999 (18) and OD1(164) at 38.4902 82.3725 69.2102 in (null):N-9999 (20) other bump:0.316902 Ang CE2(147) at 38.3958 82.4286 69.5074 in (null):F-9999 (18) and OD1(164) at 38.4902 82.3725 69.2102 in (null):N-9999 (20) other bump:1.35168 Ang CZ(148) at 37.8806 81.1753 69.3596 in (null):F-9999 (18) and OD1(164) at 38.4902 82.3725 69.2102 in (null):N-9999 (20) other bump:1.72554 Ang CD2(145) at 39.1764 82.979 68.4963 in (null):F-9999 (18) and ND2(163) at 39.5089 84.3631 69.4716 in (null):N-9999 (20) other bump:2.23213 Ang CE2(147) at 38.3958 82.4286 69.5074 in (null):F-9999 (18) and ND2(163) at 39.5089 84.3631 69.4716 in (null):N-9999 (20) other bump:2.43539 Ang CA(90) at 41.254 84.327 71.17 in (null):P-9999 (13) and ND2(163) at 39.5089 84.3631 69.4716 in (null):N-9999 (20) other bump:2.77483 Ang CG(143) at 39.4244 82.2947 67.3336 in (null):F-9999 (18) and CG(162) at 38.5062 83.5161 69.6499 in (null):N-9999 (20) other bump:1.43814 Ang CD2(145) at 39.1764 82.979 68.4963 in (null):F-9999 (18) and CG(162) at 38.5062 83.5161 69.6499 in (null):N-9999 (20) other bump:1.10225 Ang CE2(147) at 38.3958 82.4286 69.5074 in (null):F-9999 (18) and CG(162) at 38.5062 83.5161 69.6499 in (null):N-9999 (20) other bump:2.90212 Ang CD2(145) at 39.1764 82.979 68.4963 in (null):F-9999 (18) and CB(161) at 37.3313 84.0003 70.49 in (null):N-9999 (20) other bump:2.13749 Ang CE2(147) at 38.3958 82.4286 69.5074 in (null):F-9999 (18) and CB(161) at 37.3313 84.0003 70.49 in (null):N-9999 (20) other bump:2.81627 Ang CE2(147) at 38.3958 82.4286 69.5074 in (null):F-9999 (18) and CA(160) at 36.064 83.998 69.684 in (null):N-9999 (20) neighbor-bump: 2.43758 Ang CA(85) at 42.786 80.936 70.262 in (null):A-9999 (12) and CD(93) at 41.6517 82.0587 72.1044 in (null):P-9999 (13) neighbor-bump: 2.79652 Ang CB(86) at 41.472 80.119 70.098 in (null):A-9999 (12) and CD(93) at 41.6517 82.0587 72.1044 in (null):P-9999 (13) neighbor-bump: 2.11216 Ang C(88) at 42.306 82.367 70.12 in (null):A-9999 (12) and CD(93) at 41.6517 82.0587 72.1044 in (null):P-9999 (13) other bump:2.03466 Ang O(74) at 42.299 82.097 74.033 in (null):E-9999 (10) and CD(93) at 41.6517 82.0587 72.1044 in (null):P-9999 (13) other bump:2.80595 Ang C(75) at 42.632 80.991 74.507 in (null):E-9999 (10) and CD(93) at 41.6517 82.0587 72.1044 in (null):P-9999 (13) neighbor-bump: 2.28716 Ang N(84) at 43.377 80.656 71.569 in (null):A-9999 (12) and CD(93) at 41.6517 82.0587 72.1044 in (null):P-9999 (13) self-bump: 1.31304 Ang N(89) at 41.858 82.985 71.197 in (null):P-9999 (13) and CD(93) at 41.6517 82.0587 72.1044 in (null):P-9999 (13) other bump:2.82971 Ang C(83) at 44.395 81.367 72.051 in (null):D-9999 (11) and CD(93) at 41.6517 82.0587 72.1044 in (null):P-9999 (13) other bump:2.13823 Ang O(74) at 42.299 82.097 74.033 in (null):E-9999 (10) and CG(92) at 40.5732 82.7252 72.9381 in (null):P-9999 (13) other bump:3.11575 Ang C(75) at 42.632 80.991 74.507 in (null):E-9999 (10) and CG(92) at 40.5732 82.7252 72.9381 in (null):P-9999 (13) self-bump: 2.17935 Ang N(89) at 41.858 82.985 71.197 in (null):P-9999 (13) and CG(92) at 40.5732 82.7252 72.9381 in (null):P-9999 (13) other bump:2.71933 Ang CB(24) at 38.4166 73.9114 73.4599 in (null):D-9999 (4) and CE(64) at 40.1054 74.0449 71.3327 in (null):M-9999 (9) other bump:2.71819 Ang CB(24) at 38.4166 73.9114 73.4599 in (null):D-9999 (4) and CG(62) at 39.9775 76.1259 73.2408 in (null):M-9999 (9) other bump:2.5305 Ang CG(25) at 38.2254 74.9004 74.5942 in (null):D-9999 (4) and CG(62) at 39.9775 76.1259 73.2408 in (null):M-9999 (9) other bump:2.47419 Ang OD2(27) at 37.7501 76.0306 74.3138 in (null):D-9999 (4) and CG(62) at 39.9775 76.1259 73.2408 in (null):M-9999 (9) other bump:2.92668 Ang CG(25) at 38.2254 74.9004 74.5942 in (null):D-9999 (4) and CB(61) at 41.0084 75.747 74.2725 in (null):M-9999 (9) neighbor-bump: 2.08842 Ang O(20) at 36.339 74.008 74.513 in (null):T-9999 (3) and CG(25) at 38.2254 74.9004 74.5942 in (null):D-9999 (4) neighbor-bump: 2.76632 Ang C(21) at 36.389 72.861 74.942 in (null):T-9999 (3) and CG(25) at 38.2254 74.9004 74.5942 in (null):D-9999 (4) neighbor-bump: 2.0145 Ang O(13) at 32.454 72.552 75.966 in (null):I-9999 (2) and CG2(18) at 33.1816 70.749 75.4388 in (null):T-9999 (3) neighbor-bump: 2.77705 Ang C(14) at 33.208 73.242 76.662 in (null):I-9999 (2) and CG2(18) at 33.1816 70.749 75.4388 in (null):T-9999 (3) T0147_twice 383 :EIDVKAVAEAAAKH 4ubpC 311 :TIDEHLDMLMVCHH Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:0.742898 Ang OE2(66) at 34.715 66.2418 82.4634 in (null):E-9999 (9) and NZ(90) at 35.0016 65.6115 82.1943 in (null):K-9999 (13) other bump:1.91224 Ang CD(64) at 34.0835 66.7838 83.3941 in (null):E-9999 (9) and NZ(90) at 35.0016 65.6115 82.1943 in (null):K-9999 (13) other bump:1.99947 Ang OE2(66) at 34.715 66.2418 82.4634 in (null):E-9999 (9) and CE(89) at 34.2254 64.8323 81.1325 in (null):K-9999 (13) other bump:2.44442 Ang OE2(66) at 34.715 66.2418 82.4634 in (null):E-9999 (9) and CD(88) at 32.9739 65.67 80.8458 in (null):K-9999 (13) other bump:2.99424 Ang CD(64) at 34.0835 66.7838 83.3941 in (null):E-9999 (9) and CD(88) at 32.9739 65.67 80.8458 in (null):K-9999 (13) Number of specific fragments= 11 total=540 Number of alignments=46 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1add/T0147_twice-1add-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1add read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1add/T0147_twice-1add-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1add in template set T0147_twice 2 :YPVDLHMH 1add 10 :PKVELHVH Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:0.835806 Ang OD1(32) at 4.20728 29.3026 28.1148 in (null):D-9999 (4) and CE(59) at 4.41934 29.7839 28.7643 in (null):M-9999 (7) other bump:1.95371 Ang CB(30) at 4.33718 31.6731 28.2731 in (null):D-9999 (4) and CE(59) at 4.41934 29.7839 28.7643 in (null):M-9999 (7) other bump:0.62507 Ang CG(31) at 4.06842 30.2916 28.8635 in (null):D-9999 (4) and CE(59) at 4.41934 29.7839 28.7643 in (null):M-9999 (7) other bump:1.52159 Ang OD2(33) at 3.72308 30.1786 30.0584 in (null):D-9999 (4) and CE(59) at 4.41934 29.7839 28.7643 in (null):M-9999 (7) other bump:1.1315 Ang OD1(32) at 4.20728 29.3026 28.1148 in (null):D-9999 (4) and SD(58) at 3.96968 28.1963 28.1255 in (null):M-9999 (7) other bump:2.2236 Ang CG(31) at 4.06842 30.2916 28.8635 in (null):D-9999 (4) and SD(58) at 3.96968 28.1963 28.1255 in (null):M-9999 (7) other bump:2.77963 Ang OD2(33) at 3.72308 30.1786 30.0584 in (null):D-9999 (4) and SD(58) at 3.96968 28.1963 28.1255 in (null):M-9999 (7) other bump:2.58183 Ang OD1(32) at 4.20728 29.3026 28.1148 in (null):D-9999 (4) and CG(57) at 3.6847 27.301 29.6596 in (null):M-9999 (7) T0147_twice 14 :THAYSTLSDYIAQAKQKGIK 1add 18 :LDGAIKPETILYFGKKRGIA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.53533 Ang OG(39) at 7.91536 15.7922 25.8818 in (null):S-9999 (5) and CZ(79) at 9.55538 14.0568 26.7342 in (null):Y-9999 (10) other bump:1.98256 Ang OG(39) at 7.91536 15.7922 25.8818 in (null):S-9999 (5) and CE1(77) at 9.34063 14.4912 25.4273 in (null):Y-9999 (10) other bump:2.19626 Ang CB(38) at 8.88641 16.6347 25.2768 in (null):S-9999 (5) and CE1(77) at 9.34063 14.4912 25.4273 in (null):Y-9999 (10) other bump:2.2938 Ang O(0) at 7.102 21.969 30.273 in (null):G-9999 (0) and CD2(29) at 6.19349 23.5513 28.8829 in (null):Y-9999 (4) other bump:2.90816 Ang C(1) at 7.749 22.555 31.129 in (null):G-9999 (0) and CD2(29) at 6.19349 23.5513 28.8829 in (null):Y-9999 (4) T0147_twice 41 :GPDMEDAPHHW 1add 38 :LPADTVEELRN Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.15845 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and ND1(63) at 4.77248 7.36854 23.6571 in (null):H-9999 (9) other bump:2.60658 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and CG(61) at 4.56846 8.23715 22.6744 in (null):H-9999 (9) other bump:2.59596 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and CB(60) at 3.58142 8.0941 21.5073 in (null):H-9999 (9) other bump:1.87427 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and CA(59) at 2.123 7.798 22.063 in (null):H-9999 (9) other bump:2.55223 Ang CG(16) at 2.64446 5.30694 22.2543 in (null):D-9999 (3) and CA(59) at 2.123 7.798 22.063 in (null):H-9999 (9) other bump:2.66041 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and CA(59) at 2.123 7.798 22.063 in (null):H-9999 (9) other bump:1.80905 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and N(58) at 1.321 7.317 20.969 in (null):H-9999 (9) other bump:2.72833 Ang CG(16) at 2.64446 5.30694 22.2543 in (null):D-9999 (3) and N(58) at 1.321 7.317 20.969 in (null):H-9999 (9) other bump:1.83591 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and C(57) at 0.197 6.654 21.204 in (null):P-9999 (8) other bump:2.98457 Ang CG(16) at 2.64446 5.30694 22.2543 in (null):D-9999 (3) and C(57) at 0.197 6.654 21.204 in (null):P-9999 (8) other bump:2.05109 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and O(56) at -0.319 6.675 22.313 in (null):P-9999 (8) T0147_twice 58 :IW 1add 49 :II Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0147_twice 78 :NVDGEIDCSGKMFD 1add 51 :GMDKPLSLPGFLAK Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.69627 Ang CG1(41) at -4.72994 12.5899 36.8601 in (null):I-9999 (6) and N(70) at -2.064 12.358 37.19 in (null):K-9999 (11) other bump:2.86826 Ang CD1(43) at -4.5161 11.2126 36.2402 in (null):I-9999 (6) and N(70) at -2.064 12.358 37.19 in (null):K-9999 (11) other bump:3.21956 Ang CG1(41) at -4.72994 12.5899 36.8601 in (null):I-9999 (6) and C(69) at -1.947 11.038 37.321 in (null):G-9999 (10) other bump:2.79266 Ang CD1(43) at -4.5161 11.2126 36.2402 in (null):I-9999 (6) and C(69) at -1.947 11.038 37.321 in (null):G-9999 (10) other bump:2.54868 Ang OD1(50) at -4.28714 11.4364 40.1051 in (null):D-9999 (7) and CA(67) at -2.527 10.41 38.574 in (null):G-9999 (10) other bump:2.01396 Ang OD1(50) at -4.28714 11.4364 40.1051 in (null):D-9999 (7) and N(66) at -2.319 11.284 39.706 in (null):G-9999 (10) neighbor-bump: 2.60769 Ang CG1(41) at -4.72994 12.5899 36.8601 in (null):I-9999 (6) and O(52) at -3.852 14.235 38.683 in (null):D-9999 (7) neighbor-bump: 2.20158 Ang CB(40) at -5.86385 13.4033 36.2424 in (null):I-9999 (6) and N(46) at -6.168 13.176 38.411 in (null):D-9999 (7) neighbor-bump: 2.47044 Ang CG2(42) at -5.7543 14.8669 36.658 in (null):I-9999 (6) and N(46) at -6.168 13.176 38.411 in (null):D-9999 (7) neighbor-bump: 2.1947 Ang CG1(41) at -4.72994 12.5899 36.8601 in (null):I-9999 (6) and N(46) at -6.168 13.176 38.411 in (null):D-9999 (7) other bump:2.56963 Ang CG1(13) at -6.57581 13.7027 31.0953 in (null):V-9999 (2) and O(27) at -8.792 13.319 32.338 in (null):G-9999 (4) T0147_twice 106 :APH 1add 65 :FDY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.58112 Ang N(2) at 4.481 11.267 33.368 in (null):A-9999 (1) and CD(11) at 5.33956 9.42225 34.9561 in (null):P-9999 (2) T0147_twice 111 :ATNTQAM 1add 76 :REAIKRI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0147_twice 140 :DVKAVAEAAAKHQVALEINNSSFL 1add 83 :AYEFVEMKAKEGVVYVEVRYSPHL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.87987 Ang CD(90) at 3.75021 31.982 24.7195 in (null):Q-9999 (13) and CD2(112) at 5.80991 31.9352 26.7317 in (null):L-9999 (16) other bump:1.68044 Ang NE2(92) at 4.68309 32.4003 25.575 in (null):Q-9999 (13) and CD2(112) at 5.80991 31.9352 26.7317 in (null):L-9999 (16) other bump:2.54713 Ang CB(54) at 7.262 29.44 23.016 in (null):A-9999 (8) and CD1(111) at 7.20831 30.3842 25.381 in (null):L-9999 (16) other bump:2.65597 Ang NE2(92) at 4.68309 32.4003 25.575 in (null):Q-9999 (13) and CG(110) at 7.1856 31.7092 26.1354 in (null):L-9999 (16) T0147_twice 164 :HSRK 1add 109 :NSKV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 171 :DNCR 1add 113 :DPMP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 211 :AVDFPPERILNVSPRRLLNFLESRGMAPI 1add 121 :EGDVTPDDVVDLVNQGLQEGEQAFGIKVR Fragment has 43 clashes (null) has 43 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.95953 Ang C(213) at 12.724 35.271 22.501 in (null):M-9999 (26) and CD(223) at 13.8552 33.8258 24.8228 in (null):P-9999 (28) neighbor-bump: 2.37799 Ang CA(215) at 13.154 36.095 24.704 in (null):A-9999 (27) and CD(223) at 13.8552 33.8258 24.8228 in (null):P-9999 (28) neighbor-bump: 1.74895 Ang C(218) at 12.691 34.911 25.548 in (null):A-9999 (27) and CD(223) at 13.8552 33.8258 24.8228 in (null):P-9999 (28) other bump:2.84418 Ang CG(171) at 16.1544 32.9556 23.3926 in (null):L-9999 (21) and CD(223) at 13.8552 33.8258 24.8228 in (null):P-9999 (28) other bump:2.97729 Ang CD1(172) at 16.814 33.5775 24.6036 in (null):L-9999 (21) and CD(223) at 13.8552 33.8258 24.8228 in (null):P-9999 (28) other bump:1.82406 Ang CD2(173) at 14.7164 33.4427 23.2611 in (null):L-9999 (21) and CD(223) at 13.8552 33.8258 24.8228 in (null):P-9999 (28) neighbor-bump: 2.54068 Ang C(218) at 12.691 34.911 25.548 in (null):A-9999 (27) and CG(222) at 13.0841 32.5396 24.7251 in (null):P-9999 (28) other bump:2.37126 Ang CD2(173) at 14.7164 33.4427 23.2611 in (null):L-9999 (21) and CG(222) at 13.0841 32.5396 24.7251 in (null):P-9999 (28) other bump:2.80892 Ang CD2(173) at 14.7164 33.4427 23.2611 in (null):L-9999 (21) and C(213) at 12.724 35.271 22.501 in (null):M-9999 (26) other bump:1.87185 Ang CD2(173) at 14.7164 33.4427 23.2611 in (null):L-9999 (21) and O(212) at 13.892 34.89 22.407 in (null):M-9999 (26) other bump:2.83322 Ang CE1(163) at 12.1341 27.8676 19.443 in (null):F-9999 (20) and NH1(198) at 10.4465 26.4991 17.6246 in (null):R-9999 (24) other bump:3.23993 Ang CG1(94) at 21.5274 20.2438 27.5662 in (null):V-9999 (12) and NH1(129) at 19.3059 18.8542 25.6606 in (null):R-9999 (16) other bump:1.31931 Ang O(81) at 21.211 25.015 31.597 in (null):L-9999 (10) and CD(108) at 21.2018 25.588 30.4086 in (null):P-9999 (14) other bump:2.46909 Ang C(82) at 21.786 24.449 32.52 in (null):L-9999 (10) and CD(108) at 21.2018 25.588 30.4086 in (null):P-9999 (14) other bump:2.62585 Ang C(90) at 23.355 24.161 29.937 in (null):N-9999 (11) and CD(108) at 21.2018 25.588 30.4086 in (null):P-9999 (14) other bump:3.00042 Ang CA(84) at 23.879 24.575 31.308 in (null):N-9999 (11) and CD(108) at 21.2018 25.588 30.4086 in (null):P-9999 (14) other bump:2.0763 Ang O(81) at 21.211 25.015 31.597 in (null):L-9999 (10) and CG(107) at 21.4889 26.9718 30.9608 in (null):P-9999 (14) other bump:2.98057 Ang C(82) at 21.786 24.449 32.52 in (null):L-9999 (10) and CG(107) at 21.4889 26.9718 30.9608 in (null):P-9999 (14) other bump:3.02382 Ang CE1(28) at 23.3946 17.8746 30.9799 in (null):F-9999 (4) and CG2(95) at 23.6309 20.0636 28.9073 in (null):V-9999 (12) other bump:2.88598 Ang CD2(27) at 22.2604 15.8193 32.3744 in (null):F-9999 (4) and CD1(72) at 20.2276 16.711 34.2188 in (null):I-9999 (9) other bump:2.49139 Ang CE2(29) at 21.5283 16.972 32.11 in (null):F-9999 (4) and CD1(72) at 20.2276 16.711 34.2188 in (null):I-9999 (9) other bump:2.42784 Ang CD2(27) at 22.2604 15.8193 32.3744 in (null):F-9999 (4) and CG1(70) at 21.0018 17.6675 33.3204 in (null):I-9999 (9) other bump:1.49195 Ang CE2(29) at 21.5283 16.972 32.11 in (null):F-9999 (4) and CG1(70) at 21.0018 17.6675 33.3204 in (null):I-9999 (9) other bump:2.23434 Ang CZ(30) at 22.0957 17.9868 31.3984 in (null):F-9999 (4) and CG1(70) at 21.0018 17.6675 33.3204 in (null):I-9999 (9) other bump:2.74977 Ang CE2(29) at 21.5283 16.972 32.11 in (null):F-9999 (4) and CB(69) at 20.5432 19.1361 33.4912 in (null):I-9999 (9) other bump:2.84788 Ang CZ(30) at 22.0957 17.9868 31.3984 in (null):F-9999 (4) and CB(69) at 20.5432 19.1361 33.4912 in (null):I-9999 (9) other bump:2.58411 Ang CZ(30) at 22.0957 17.9868 31.3984 in (null):F-9999 (4) and CA(68) at 21.612 20.126 32.765 in (null):I-9999 (9) other bump:3.00536 Ang CZ(30) at 22.0957 17.9868 31.3984 in (null):F-9999 (4) and N(67) at 22.834 19.964 33.538 in (null):I-9999 (9) other bump:3.10775 Ang CE1(28) at 23.3946 17.8746 30.9799 in (null):F-9999 (4) and C(66) at 23.984 20.233 32.916 in (null):R-9999 (8) other bump:2.95393 Ang CG(36) at 26.9559 17.477 35.3702 in (null):P-9999 (5) and NE(61) at 29.4072 17.2683 33.7351 in (null):R-9999 (8) other bump:1.90867 Ang CD(37) at 26.6805 16.1965 34.6165 in (null):P-9999 (5) and CD(60) at 27.9593 17.2056 33.6218 in (null):R-9999 (8) other bump:2.03398 Ang CG(36) at 26.9559 17.477 35.3702 in (null):P-9999 (5) and CD(60) at 27.9593 17.2056 33.6218 in (null):R-9999 (8) other bump:2.63248 Ang CD(37) at 26.6805 16.1965 34.6165 in (null):P-9999 (5) and CG(59) at 27.3519 18.5897 33.7494 in (null):R-9999 (8) other bump:2.00542 Ang CG(36) at 26.9559 17.477 35.3702 in (null):P-9999 (5) and CG(59) at 27.3519 18.5897 33.7494 in (null):R-9999 (8) other bump:2.87482 Ang CD(37) at 26.6805 16.1965 34.6165 in (null):P-9999 (5) and CB(58) at 25.8979 18.6719 33.3818 in (null):R-9999 (8) other bump:2.54966 Ang CG(36) at 26.9559 17.477 35.3702 in (null):P-9999 (5) and CB(58) at 25.8979 18.6719 33.3818 in (null):R-9999 (8) other bump:2.37937 Ang O(20) at 27.875 14.409 33.597 in (null):D-9999 (3) and CD(37) at 26.6805 16.1965 34.6165 in (null):P-9999 (5) other bump:2.35307 Ang CG1(10) at 25.5321 10.918 33.0601 in (null):V-9999 (2) and N(22) at 26.034 13.179 33.476 in (null):F-9999 (4) neighbor-bump: 3.09274 Ang CG1(10) at 25.5321 10.918 33.0601 in (null):V-9999 (2) and C(21) at 27.328 13.329 33.786 in (null):D-9999 (3) neighbor-bump: 3.02819 Ang CG1(10) at 25.5321 10.918 33.0601 in (null):V-9999 (2) and CA(15) at 28.181 12.084 33.951 in (null):D-9999 (3) neighbor-bump: 2.38353 Ang CB(9) at 25.3112 9.99279 34.2618 in (null):V-9999 (2) and N(14) at 27.447 10.874 33.676 in (null):D-9999 (3) neighbor-bump: 2.012 Ang CG1(10) at 25.5321 10.918 33.0601 in (null):V-9999 (2) and N(14) at 27.447 10.874 33.676 in (null):D-9999 (3) self-bump: 2.16204 Ang CB(9) at 25.3112 9.99279 34.2618 in (null):V-9999 (2) and C(13) at 27.447 9.921 34.59 in (null):V-9999 (2) T0147_twice 372 :HIIS 1add 150 :SILC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 376 :HPGNP 1add 157 :HQPSW Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.26049 Ang O(17) at 14.03 17.785 47.513 in (null):P-9999 (2) and CD(35) at 16.1773 17.1465 47.8153 in (null):P-9999 (5) other bump:3.06214 Ang C(18) at 13.133 17.23 48.135 in (null):P-9999 (2) and CD(35) at 16.1773 17.1465 47.8153 in (null):P-9999 (5) self-bump: 1.37309 Ang N(31) at 17.027 18.225 47.826 in (null):P-9999 (5) and CD(35) at 16.1773 17.1465 47.8153 in (null):P-9999 (5) neighbor-bump: 2.41809 Ang N(23) at 15.691 17.64 50.132 in (null):N-9999 (4) and CD(35) at 16.1773 17.1465 47.8153 in (null):P-9999 (5) neighbor-bump: 2.48456 Ang CG(26) at 16.8993 15.1996 49.1796 in (null):N-9999 (4) and CD(35) at 16.1773 17.1465 47.8153 in (null):P-9999 (5) neighbor-bump: 2.25533 Ang OD1(28) at 15.6988 15.2015 48.852 in (null):N-9999 (4) and CD(35) at 16.1773 17.1465 47.8153 in (null):P-9999 (5) other bump:3.11343 Ang CB(14) at 13.34 15.531 46.364 in (null):P-9999 (2) and CG(34) at 16.1943 16.7744 46.3444 in (null):P-9999 (5) T0147_twice 383 :EIDVKAVAEAAAKHQVALEINNSSFL 1add 163 :LEVLELCKKYNQKTVVAMDLAGDETI Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues neighbor-bump: 1.8775 Ang O(155) at 6.771 20.289 43.754 in (null):N-9999 (21) and CG(160) at 6.01568 19.0626 44.9583 in (null):N-9999 (22) neighbor-bump: 2.77595 Ang C(156) at 6.327 20.562 42.643 in (null):N-9999 (21) and CG(160) at 6.01568 19.0626 44.9583 in (null):N-9999 (22) neighbor-bump: 2.13106 Ang O(155) at 6.771 20.289 43.754 in (null):N-9999 (21) and CB(159) at 6.39108 18.1922 43.7728 in (null):N-9999 (22) neighbor-bump: 2.62617 Ang C(156) at 6.327 20.562 42.643 in (null):N-9999 (21) and CB(159) at 6.39108 18.1922 43.7728 in (null):N-9999 (22) other bump:1.86784 Ang CD(136) at 8.42554 24.597 39.297 in (null):E-9999 (19) and OD1(154) at 9.0232 22.9075 39.8237 in (null):N-9999 (21) other bump:0.856848 Ang OE1(137) at 9.09472 23.5427 39.2531 in (null):E-9999 (19) and OD1(154) at 9.0232 22.9075 39.8237 in (null):N-9999 (21) other bump:1.89021 Ang CD(136) at 8.42554 24.597 39.297 in (null):E-9999 (19) and ND2(153) at 6.87851 23.5219 39.4515 in (null):N-9999 (21) other bump:2.22517 Ang OE1(137) at 9.09472 23.5427 39.2531 in (null):E-9999 (19) and ND2(153) at 6.87851 23.5219 39.4515 in (null):N-9999 (21) other bump:2.00153 Ang OE2(138) at 7.69277 24.9913 38.3634 in (null):E-9999 (19) and ND2(153) at 6.87851 23.5219 39.4515 in (null):N-9999 (21) other bump:2.09684 Ang CD(136) at 8.42554 24.597 39.297 in (null):E-9999 (19) and CG(152) at 7.79022 22.7115 39.9591 in (null):N-9999 (21) other bump:1.7003 Ang OE1(137) at 9.09472 23.5427 39.2531 in (null):E-9999 (19) and CG(152) at 7.79022 22.7115 39.9591 in (null):N-9999 (21) other bump:2.89246 Ang CG(135) at 8.51757 25.4516 40.5332 in (null):E-9999 (19) and CG(152) at 7.79022 22.7115 39.9591 in (null):N-9999 (21) T0147_twice 410 :SRKGSEDNCREVAAAVRDAGGWVAL 1add 189 :EGSSLFPGHVEAYEGAVKNGIHRTV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.98399 Ang CG1(114) at 14.6854 33.2191 46.0276 in (null):V-9999 (16) and CG2(168) at 11.7069 33.2505 45.8483 in (null):V-9999 (23) other bump:3.06933 Ang CG1(114) at 14.6854 33.2191 46.0276 in (null):V-9999 (16) and C(149) at 15.02 35.257 43.757 in (null):G-9999 (21) other bump:2.09158 Ang CG1(114) at 14.6854 33.2191 46.0276 in (null):V-9999 (16) and O(148) at 14.373 34.787 44.679 in (null):G-9999 (21) other bump:2.45037 Ang CA(107) at 18.111 31.886 51.024 in (null):A-9999 (15) and OD1(133) at 18.558 34.1961 51.7082 in (null):D-9999 (18) other bump:2.63835 Ang C(110) at 17.802 32.615 49.736 in (null):A-9999 (15) and OD1(133) at 18.558 34.1961 51.7082 in (null):D-9999 (18) other bump:1.97705 Ang OD1(51) at 12.2767 23.1665 58.8153 in (null):D-9999 (7) and NH2(77) at 11.9415 24.9082 59.6886 in (null):R-9999 (10) Number of specific fragments= 15 total=555 Number of alignments=47 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1add/T0147_twice-1add-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1add read from /projects/compbio/experiments/casp5/t0147/t0147_twice/1add/T0147_twice-1add-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1add in template set T0147_twice 3 :PVDLHMH 1add 11 :KVELHVH Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:0.62507 Ang CG(19) at 4.06842 30.2916 28.8635 in (null):D-9999 (3) and CE(47) at 4.41934 29.7839 28.7643 in (null):M-9999 (6) other bump:0.835806 Ang OD1(20) at 4.20728 29.3026 28.1148 in (null):D-9999 (3) and CE(47) at 4.41934 29.7839 28.7643 in (null):M-9999 (6) other bump:1.52159 Ang OD2(21) at 3.72308 30.1786 30.0584 in (null):D-9999 (3) and CE(47) at 4.41934 29.7839 28.7643 in (null):M-9999 (6) other bump:1.95371 Ang CB(18) at 4.33718 31.6731 28.2731 in (null):D-9999 (3) and CE(47) at 4.41934 29.7839 28.7643 in (null):M-9999 (6) other bump:2.2236 Ang CG(19) at 4.06842 30.2916 28.8635 in (null):D-9999 (3) and SD(46) at 3.96968 28.1963 28.1255 in (null):M-9999 (6) other bump:1.1315 Ang OD1(20) at 4.20728 29.3026 28.1148 in (null):D-9999 (3) and SD(46) at 3.96968 28.1963 28.1255 in (null):M-9999 (6) other bump:2.77963 Ang OD2(21) at 3.72308 30.1786 30.0584 in (null):D-9999 (3) and SD(46) at 3.96968 28.1963 28.1255 in (null):M-9999 (6) other bump:2.58183 Ang OD1(20) at 4.20728 29.3026 28.1148 in (null):D-9999 (3) and CG(45) at 3.6847 27.301 29.6596 in (null):M-9999 (6) T0147_twice 14 :THAYSTLSDYIAQAKQKGIK 1add 18 :LDGAIKPETILYFGKKRGIA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.53533 Ang OG(39) at 7.91536 15.7922 25.8818 in (null):S-9999 (5) and CZ(79) at 9.55538 14.0568 26.7342 in (null):Y-9999 (10) other bump:1.98256 Ang OG(39) at 7.91536 15.7922 25.8818 in (null):S-9999 (5) and CE1(77) at 9.34063 14.4912 25.4273 in (null):Y-9999 (10) other bump:2.19626 Ang CB(38) at 8.88641 16.6347 25.2768 in (null):S-9999 (5) and CE1(77) at 9.34063 14.4912 25.4273 in (null):Y-9999 (10) other bump:2.2938 Ang O(0) at 7.102 21.969 30.273 in (null):G-9999 (0) and CD2(29) at 6.19349 23.5513 28.8829 in (null):Y-9999 (4) other bump:2.90816 Ang C(1) at 7.749 22.555 31.129 in (null):G-9999 (0) and CD2(29) at 6.19349 23.5513 28.8829 in (null):Y-9999 (4) T0147_twice 41 :GPDMEDAPHH 1add 38 :LPADTVEELR Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.15845 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and ND1(63) at 4.77248 7.36854 23.6571 in (null):H-9999 (9) other bump:2.60658 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and CG(61) at 4.56846 8.23715 22.6744 in (null):H-9999 (9) other bump:2.59596 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and CB(60) at 3.58142 8.0941 21.5073 in (null):H-9999 (9) other bump:2.55223 Ang CG(16) at 2.64446 5.30694 22.2543 in (null):D-9999 (3) and CA(59) at 2.123 7.798 22.063 in (null):H-9999 (9) other bump:2.66041 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and CA(59) at 2.123 7.798 22.063 in (null):H-9999 (9) other bump:1.87427 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and CA(59) at 2.123 7.798 22.063 in (null):H-9999 (9) other bump:2.72833 Ang CG(16) at 2.64446 5.30694 22.2543 in (null):D-9999 (3) and N(58) at 1.321 7.317 20.969 in (null):H-9999 (9) other bump:1.80905 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and N(58) at 1.321 7.317 20.969 in (null):H-9999 (9) other bump:2.98457 Ang CG(16) at 2.64446 5.30694 22.2543 in (null):D-9999 (3) and C(57) at 0.197 6.654 21.204 in (null):P-9999 (8) other bump:1.83591 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and C(57) at 0.197 6.654 21.204 in (null):P-9999 (8) other bump:2.05109 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and O(56) at -0.319 6.675 22.313 in (null):P-9999 (8) T0147_twice 51 :WHFINMRIW 1add 77 :EAIKRIAYE Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.57284 Ang ND2(49) at 15.5705 17.1646 19.9745 in (null):N-9999 (5) and CH2(91) at 14.584 16.7358 18.827 in (null):W-9999 (9) other bump:2.63437 Ang CG(48) at 16.5718 18.0022 20.0037 in (null):N-9999 (5) and CH2(91) at 14.584 16.7358 18.827 in (null):W-9999 (9) other bump:1.96238 Ang ND2(49) at 15.5705 17.1646 19.9745 in (null):N-9999 (5) and CZ3(90) at 13.6258 16.9393 19.8392 in (null):W-9999 (9) other bump:3.13615 Ang CG(48) at 16.5718 18.0022 20.0037 in (null):N-9999 (5) and CZ3(90) at 13.6258 16.9393 19.8392 in (null):W-9999 (9) other bump:2.07351 Ang ND2(49) at 15.5705 17.1646 19.9745 in (null):N-9999 (5) and CZ2(89) at 15.0506 17.7759 18.0626 in (null):W-9999 (9) other bump:2.47658 Ang CG(48) at 16.5718 18.0022 20.0037 in (null):N-9999 (5) and CZ2(89) at 15.0506 17.7759 18.0626 in (null):W-9999 (9) other bump:2.26222 Ang OD1(50) at 16.8785 18.6879 19.0345 in (null):N-9999 (5) and CZ2(89) at 15.0506 17.7759 18.0626 in (null):W-9999 (9) other bump:2.66989 Ang ND2(49) at 15.5705 17.1646 19.9745 in (null):N-9999 (5) and CE3(87) at 13.1179 18.212 20.1005 in (null):W-9999 (9) other bump:2.71201 Ang ND2(49) at 15.5705 17.1646 19.9745 in (null):N-9999 (5) and CE2(86) at 14.5406 19.0552 18.3252 in (null):W-9999 (9) other bump:2.83758 Ang CG(48) at 16.5718 18.0022 20.0037 in (null):N-9999 (5) and CE2(86) at 14.5406 19.0552 18.3252 in (null):W-9999 (9) other bump:2.47051 Ang OD1(50) at 16.8785 18.6879 19.0345 in (null):N-9999 (5) and CE2(86) at 14.5406 19.0552 18.3252 in (null):W-9999 (9) other bump:2.98509 Ang ND2(49) at 15.5705 17.1646 19.9745 in (null):N-9999 (5) and CD2(85) at 13.5776 19.293 19.3348 in (null):W-9999 (9) T0147_twice 60 :PRVVDGVGILR 1add 87 :VEMKAKEGVVY Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.30903 Ang CB(29) at 7.25235 29.5015 23.0429 in (null):V-9999 (4) and CD1(62) at 5.7885 30.8862 24.1705 in (null):I-9999 (9) other bump:1.23803 Ang CG1(30) at 6.80767 30.8891 23.4677 in (null):V-9999 (4) and CD1(62) at 5.7885 30.8862 24.1705 in (null):I-9999 (9) other bump:2.66486 Ang CG2(31) at 6.95523 28.4903 24.1602 in (null):V-9999 (4) and CD1(62) at 5.7885 30.8862 24.1705 in (null):I-9999 (9) other bump:3.01153 Ang CB(29) at 7.25235 29.5015 23.0429 in (null):V-9999 (4) and CG1(60) at 5.60556 32.0222 23.1048 in (null):I-9999 (9) other bump:1.69135 Ang CG1(30) at 6.80767 30.8891 23.4677 in (null):V-9999 (4) and CG1(60) at 5.60556 32.0222 23.1048 in (null):I-9999 (9) T0147_twice 72 :IEANIKN 1add 98 :VEVRYSP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues self-bump: 1.36936 Ang CA(50) at 17.344 19.932 36.946 in (null):N-9999 (7) and CB(51) at 18.488 20.6697 36.7967 in (null):N-9999 (7) T0147_twice 101 :HEPVFAPHDK 1add 105 :HLLANSKVDP Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.31267 Ang CB(4) at 17.307 16.844 40.706 in (null):H-9999 (1) and NE2(65) at 17.4878 14.5956 41.2163 in (null):H-9999 (8) other bump:3.12658 Ang C(11) at 16.893 15.757 38.536 in (null):H-9999 (1) and CD2(62) at 18.781 14.6461 40.7669 in (null):H-9999 (8) other bump:2.96349 Ang CA(3) at 17.623 16.895 39.223 in (null):H-9999 (1) and CD2(62) at 18.781 14.6461 40.7669 in (null):H-9999 (8) other bump:2.64713 Ang CB(4) at 17.307 16.844 40.706 in (null):H-9999 (1) and CD2(62) at 18.781 14.6461 40.7669 in (null):H-9999 (8) other bump:2.61123 Ang CG1(31) at 22.1681 14.3239 37.579 in (null):V-9999 (4) and O(49) at 24.126 13.726 39.2 in (null):A-9999 (6) self-bump: 1.30852 Ang N(21) at 16.475 15.375 35.459 in (null):P-9999 (3) and CD(25) at 15.6222 16.3206 35.7603 in (null):P-9999 (3) neighbor-bump: 2.21531 Ang CA(13) at 15.018 14.901 37.35 in (null):E-9999 (2) and CD(25) at 15.6222 16.3206 35.7603 in (null):P-9999 (3) neighbor-bump: 2.68521 Ang CB(14) at 13.5115 15.7088 37.3033 in (null):E-9999 (2) and CD(25) at 15.6222 16.3206 35.7603 in (null):P-9999 (3) neighbor-bump: 1.78974 Ang C(20) at 15.585 14.547 35.997 in (null):E-9999 (2) and CD(25) at 15.6222 16.3206 35.7603 in (null):P-9999 (3) neighbor-bump: 2.24231 Ang N(12) at 15.719 15.997 37.977 in (null):E-9999 (2) and CD(25) at 15.6222 16.3206 35.7603 in (null):P-9999 (3) self-bump: 2.16525 Ang N(21) at 16.475 15.375 35.459 in (null):P-9999 (3) and CG(24) at 15.445 16.9529 34.3924 in (null):P-9999 (3) T0147_twice 111 :ATNTQAMIATIASG 1add 195 :PGHVEAYEGAVKNG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0147_twice 126 :VHIISHPGNPK 1add 209 :IHRTVHAGEVG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.30882 Ang CB(64) at -3.01247 23.9807 41.3834 in (null):N-9999 (9) and CD(74) at -3.39794 22.2885 42.906 in (null):P-9999 (10) neighbor-bump: 1.66424 Ang C(69) at -4.742 23.265 42.808 in (null):N-9999 (9) and CD(74) at -3.39794 22.2885 42.906 in (null):P-9999 (10) neighbor-bump: 2.18601 Ang CA(63) at -3.803 24.38 42.416 in (null):N-9999 (9) and CD(74) at -3.39794 22.2885 42.906 in (null):P-9999 (10) neighbor-bump: 2.58391 Ang C(69) at -4.742 23.265 42.808 in (null):N-9999 (9) and CG(73) at -3.79887 20.8765 42.5216 in (null):P-9999 (10) self-bump: 1.36039 Ang CA(63) at -3.803 24.38 42.416 in (null):N-9999 (9) and CB(64) at -3.01247 23.9807 41.3834 in (null):N-9999 (9) neighbor-bump: 2.47712 Ang CA(42) at 2.849 26.128 42.914 in (null):H-9999 (6) and CD(55) at 1.84637 27.7403 44.505 in (null):P-9999 (7) neighbor-bump: 2.31623 Ang O(49) at 2.51 25.645 45.236 in (null):H-9999 (6) and CD(55) at 1.84637 27.7403 44.505 in (null):P-9999 (7) neighbor-bump: 1.78164 Ang C(50) at 1.991 25.997 44.167 in (null):H-9999 (6) and CD(55) at 1.84637 27.7403 44.505 in (null):P-9999 (7) other bump:1.82738 Ang O(39) at 3.074 28.761 43.616 in (null):S-9999 (5) and CD(55) at 1.84637 27.7403 44.505 in (null):P-9999 (7) other bump:2.37381 Ang C(40) at 4.067 28.059 43.729 in (null):S-9999 (5) and CD(55) at 1.84637 27.7403 44.505 in (null):P-9999 (7) T0147_twice 137 :YEIDVKAVAEAAAKHQVALEINNSS 1add 241 :HTIEDEALYNRLLKENMHFEVCPWS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.23499 Ang NZ(102) at -1.332 44.473 52.008 in (null):K-9999 (14) and NE2(112) at -1.11894 42.2641 51.7425 in (null):H-9999 (15) neighbor-bump: 2.40852 Ang CE(101) at -2.005 45.327 51.044 in (null):K-9999 (14) and CE1(111) at -0.598755 43.4744 51.6695 in (null):H-9999 (15) neighbor-bump: 1.2843 Ang NZ(102) at -1.332 44.473 52.008 in (null):K-9999 (14) and CE1(111) at -0.598755 43.4744 51.6695 in (null):H-9999 (15) neighbor-bump: 2.52785 Ang CE(101) at -2.005 45.327 51.044 in (null):K-9999 (14) and ND1(110) at -0.190354 43.6779 50.4296 in (null):H-9999 (15) neighbor-bump: 2.104 Ang NZ(102) at -1.332 44.473 52.008 in (null):K-9999 (14) and ND1(110) at -0.190354 43.6779 50.4296 in (null):H-9999 (15) other bump:2.57466 Ang CA(3) at -8.504 27.848 45.837 in (null):Y-9999 (1) and OD2(36) at -10.582 27.4927 47.315 in (null):D-9999 (4) other bump:2.7472 Ang CB(4) at -8.04954 26.6419 46.6749 in (null):Y-9999 (1) and OD2(36) at -10.582 27.4927 47.315 in (null):D-9999 (4) other bump:2.33411 Ang O(12) at -8.98 29.117 47.808 in (null):Y-9999 (1) and OD2(36) at -10.582 27.4927 47.315 in (null):D-9999 (4) other bump:2.76397 Ang C(13) at -8.374 29.053 46.741 in (null):Y-9999 (1) and OD2(36) at -10.582 27.4927 47.315 in (null):D-9999 (4) T0147_twice 168 :GSEDNCR 1add 266 :SYLTGAW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:3.0603 Ang CG(24) at -5.10413 19.8575 37.9982 in (null):D-9999 (4) and SG(40) at -5.42234 21.4075 40.6177 in (null):C-9999 (6) other bump:2.94853 Ang OD1(25) at -6.3119 20.1365 38.1103 in (null):D-9999 (4) and SG(40) at -5.42234 21.4075 40.6177 in (null):C-9999 (6) other bump:2.80162 Ang OD2(26) at -4.1264 20.6159 38.2633 in (null):D-9999 (4) and SG(40) at -5.42234 21.4075 40.6177 in (null):C-9999 (6) T0147_twice 175 :EVAAAVRDAGGWVALGSDSHTAFTMGEFEECLKILDAVDFPPERILNVSPRRLLN 1add 278 :HAVVRFKNDKANYSLNTDDPLIFKSTLDTDYQMTKKDMGFTEEEFKRLNINAAKS Fragment has 60 clashes (null) has 60 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 57 residues other bump:2.41771 Ang CA(388) at 2.284 39.206 32.925 in (null):R-9999 (52) and OD1(419) at 3.88577 38.8884 34.7079 in (null):N-9999 (55) other bump:1.75235 Ang O(396) at 4.648 39.405 33.217 in (null):R-9999 (52) and OD1(419) at 3.88577 38.8884 34.7079 in (null):N-9999 (55) other bump:2.29682 Ang C(397) at 3.654 39.761 32.596 in (null):R-9999 (52) and OD1(419) at 3.88577 38.8884 34.7079 in (null):N-9999 (55) other bump:3.1856 Ang CA(388) at 2.284 39.206 32.925 in (null):R-9999 (52) and CG(417) at 3.44011 38.7687 35.861 in (null):N-9999 (55) other bump:3.04372 Ang NE1(80) at 1.14509 40.1534 37.3031 in (null):W-9999 (12) and CG(417) at 3.44011 38.7687 35.861 in (null):N-9999 (55) other bump:3.08486 Ang CE2(78) at 1.34581 41.4903 37.5217 in (null):W-9999 (12) and CB(416) at 3.80946 39.7117 36.9894 in (null):N-9999 (55) other bump:2.71889 Ang NE1(80) at 1.14509 40.1534 37.3031 in (null):W-9999 (12) and CB(416) at 3.80946 39.7117 36.9894 in (null):N-9999 (55) other bump:2.97218 Ang CZ2(81) at 2.39569 42.3231 37.1151 in (null):W-9999 (12) and CB(416) at 3.80946 39.7117 36.9894 in (null):N-9999 (55) other bump:2.90536 Ang CZ2(81) at 2.39569 42.3231 37.1151 in (null):W-9999 (12) and N(414) at 4.777 41.485 35.677 in (null):N-9999 (55) other bump:3.07389 Ang CH2(83) at 2.33862 43.645 37.4849 in (null):W-9999 (12) and CB(408) at 3.77386 44.3824 34.8686 in (null):L-9999 (54) other bump:2.91384 Ang CE2(78) at 1.34581 41.4903 37.5217 in (null):W-9999 (12) and O(385) at 2.099 41.138 34.729 in (null):R-9999 (51) other bump:2.68065 Ang CZ2(81) at 2.39569 42.3231 37.1151 in (null):W-9999 (12) and O(385) at 2.099 41.138 34.729 in (null):R-9999 (51) other bump:2.3624 Ang ND2(352) at -6.05497 44.0242 32.9661 in (null):N-9999 (47) and NH1(383) at -6.03699 43.2702 35.2049 in (null):R-9999 (51) other bump:2.8571 Ang ND2(352) at -6.05497 44.0242 32.9661 in (null):N-9999 (47) and CZ(382) at -5.19867 44.1732 35.6878 in (null):R-9999 (51) other bump:1.43371 Ang O(346) at -2.666 42.955 28.014 in (null):L-9999 (46) and CD(373) at -1.47963 42.8732 28.8149 in (null):P-9999 (50) other bump:2.63521 Ang C(347) at -3.829 42.98 27.626 in (null):L-9999 (46) and CD(373) at -1.47963 42.8732 28.8149 in (null):P-9999 (50) other bump:3.115 Ang C(355) at -3.915 42.435 30.707 in (null):N-9999 (47) and CD(373) at -1.47963 42.8732 28.8149 in (null):P-9999 (50) other bump:2.15606 Ang O(346) at -2.666 42.955 28.014 in (null):L-9999 (46) and CG(372) at -1.09953 44.3235 28.5815 in (null):P-9999 (50) other bump:3.18871 Ang C(347) at -3.829 42.98 27.626 in (null):L-9999 (46) and CG(372) at -1.09953 44.3235 28.5815 in (null):P-9999 (50) other bump:3.18533 Ang CD(325) at -8.71988 40.2153 31.6066 in (null):R-9999 (44) and CG2(360) at -5.79583 39.0781 32.1571 in (null):V-9999 (48) other bump:2.41542 Ang NE(326) at -8.14949 39.3416 32.6315 in (null):R-9999 (44) and CG2(360) at -5.79583 39.0781 32.1571 in (null):V-9999 (48) other bump:1.26088 Ang CZ(327) at -6.95248 38.7672 32.5512 in (null):R-9999 (44) and CG2(360) at -5.79583 39.0781 32.1571 in (null):V-9999 (48) other bump:0.775842 Ang NH1(328) at -6.17794 38.9634 31.4917 in (null):R-9999 (44) and CG2(360) at -5.79583 39.0781 32.1571 in (null):V-9999 (48) other bump:1.9024 Ang NH2(329) at -6.52112 37.9967 33.544 in (null):R-9999 (44) and CG2(360) at -5.79583 39.0781 32.1571 in (null):V-9999 (48) other bump:2.85489 Ang NH1(328) at -6.17794 38.9634 31.4917 in (null):R-9999 (44) and CG1(359) at -3.67154 37.7581 32.1364 in (null):V-9999 (48) other bump:2.27018 Ang O(91) at -2.746 37.794 34.209 in (null):V-9999 (13) and CG1(359) at -3.67154 37.7581 32.1364 in (null):V-9999 (48) other bump:2.73325 Ang CZ(327) at -6.95248 38.7672 32.5512 in (null):R-9999 (44) and CB(358) at -4.45799 38.8517 31.4372 in (null):V-9999 (48) other bump:1.72443 Ang NH1(328) at -6.17794 38.9634 31.4917 in (null):R-9999 (44) and CB(358) at -4.45799 38.8517 31.4372 in (null):V-9999 (48) other bump:3.07024 Ang NH2(329) at -6.52112 37.9967 33.544 in (null):R-9999 (44) and CB(358) at -4.45799 38.8517 31.4372 in (null):V-9999 (48) other bump:2.02668 Ang CD1(255) at -13.8203 35.9102 23.9441 in (null):L-9999 (35) and O(296) at -13.73 37.138 25.554 in (null):F-9999 (40) other bump:2.90794 Ang CG1(275) at -13.6426 32.8933 31.3662 in (null):V-9999 (38) and CE1(293) at -12.102 35.325 31.778 in (null):F-9999 (40) other bump:2.50373 Ang CG2(247) at -10.6351 33.6754 29.2113 in (null):I-9999 (34) and CD2(292) at -10.212 36.041 29.914 in (null):F-9999 (40) other bump:2.34176 Ang CG2(247) at -10.6351 33.6754 29.2113 in (null):I-9999 (34) and CG(290) at -11.516 35.823 29.521 in (null):F-9999 (40) other bump:2.85097 Ang CG2(247) at -10.6351 33.6754 29.2113 in (null):I-9999 (34) and CB(289) at -11.896 35.954 28.051 in (null):F-9999 (40) neighbor-bump: 2.17405 Ang O(270) at -14.99 31.416 28.708 in (null):A-9999 (37) and CB(274) at -14.6465 31.9071 30.7978 in (null):V-9999 (38) neighbor-bump: 2.45772 Ang C(271) at -16.073 30.943 29.044 in (null):A-9999 (37) and CB(274) at -14.6465 31.9071 30.7978 in (null):V-9999 (38) other bump:2.49227 Ang O(249) at -13.423 33.178 27.901 in (null):I-9999 (34) and O(270) at -14.99 31.416 28.708 in (null):A-9999 (37) other bump:2.92388 Ang CZ(199) at -8.07709 29.5228 18.5028 in (null):F-9999 (28) and CD2(231) at -10.3084 29.9582 20.3415 in (null):L-9999 (32) other bump:2.84272 Ang CD2(196) at -6.5339 27.8226 19.2791 in (null):F-9999 (28) and CD1(230) at -9.23672 27.714 20.1532 in (null):L-9999 (32) other bump:2.17723 Ang CE2(198) at -7.7344 28.1763 18.6467 in (null):F-9999 (28) and CD1(230) at -9.23672 27.714 20.1532 in (null):L-9999 (32) other bump:2.70929 Ang CZ(199) at -8.07709 29.5228 18.5028 in (null):F-9999 (28) and CD1(230) at -9.23672 27.714 20.1532 in (null):L-9999 (32) other bump:2.43322 Ang CA(171) at -2.932 21.503 24.104 in (null):M-9999 (25) and OE1(207) at -5.0344 22.2279 25.0914 in (null):E-9999 (29) other bump:1.55151 Ang CB(172) at -3.51655 22.1307 25.3978 in (null):M-9999 (25) and OE1(207) at -5.0344 22.2279 25.0914 in (null):E-9999 (29) other bump:2.69812 Ang CB(172) at -3.51655 22.1307 25.3978 in (null):M-9999 (25) and CD(206) at -6.18003 22.5529 25.484 in (null):E-9999 (29) other bump:2.52822 Ang CE1(136) at -0.347529 25.2439 25.3429 in (null):H-9999 (20) and N(182) at -1.074 27.074 23.757 in (null):E-9999 (27) other bump:2.53342 Ang CE1(136) at -0.347529 25.2439 25.3429 in (null):H-9999 (20) and C(181) at -1.949 26.091 23.572 in (null):G-9999 (26) other bump:2.63996 Ang ND1(135) at 0.0142805 23.9922 25.0174 in (null):H-9999 (20) and CA(179) at -1.453 24.78 22.969 in (null):G-9999 (26) other bump:2.65944 Ang CE1(136) at -0.347529 25.2439 25.3429 in (null):H-9999 (20) and CA(179) at -1.453 24.78 22.969 in (null):G-9999 (26) other bump:2.85745 Ang ND1(135) at 0.0142805 23.9922 25.0174 in (null):H-9999 (20) and C(177) at -1.881 22.448 23.538 in (null):M-9999 (25) other bump:2.4463 Ang ND1(135) at 0.0142805 23.9922 25.0174 in (null):H-9999 (20) and O(176) at -0.684 22.166 23.547 in (null):M-9999 (25) neighbor-bump: 1.8602 Ang O(161) at -4.469 18.355 26.454 in (null):F-9999 (23) and OG1(167) at -4.69381 16.6837 25.6687 in (null):T-9999 (24) neighbor-bump: 2.32649 Ang C(162) at -3.294 18.179 26.772 in (null):F-9999 (23) and OG1(167) at -4.69381 16.6837 25.6687 in (null):T-9999 (24) other bump:1.66405 Ang CB(112) at 0.384587 25.9468 28.0661 in (null):S-9999 (17) and NE2(137) at 0.285544 25.5938 26.4429 in (null):H-9999 (20) other bump:1.48932 Ang OG(113) at -0.0735264 26.8798 27.1026 in (null):S-9999 (17) and NE2(137) at 0.285544 25.5938 26.4429 in (null):H-9999 (20) other bump:2.90615 Ang CB(112) at 0.384587 25.9468 28.0661 in (null):S-9999 (17) and CE1(136) at -0.347529 25.2439 25.3429 in (null):H-9999 (20) other bump:2.41823 Ang OG(113) at -0.0735264 26.8798 27.1026 in (null):S-9999 (17) and CE1(136) at -0.347529 25.2439 25.3429 in (null):H-9999 (20) other bump:3.2612 Ang CA(111) at -0.151 26.225 29.368 in (null):S-9999 (17) and CD2(134) at 1.07462 24.5333 26.8637 in (null):H-9999 (20) other bump:1.97985 Ang CB(112) at 0.384587 25.9468 28.0661 in (null):S-9999 (17) and CD2(134) at 1.07462 24.5333 26.8637 in (null):H-9999 (20) other bump:2.62328 Ang OG(113) at -0.0735264 26.8798 27.1026 in (null):S-9999 (17) and CD2(134) at 1.07462 24.5333 26.8637 in (null):H-9999 (20) other bump:2.2912 Ang CG1(36) at -7.52929 37.1253 38.1043 in (null):V-9999 (6) and CG2(90) at -5.29989 36.8022 37.6861 in (null):V-9999 (13) T0147_twice 410 :SRKGSEDNCREVAAAVRDA 1add 333 :SFLPEEEKKELLERLYREY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.12482 Ang NZ(25) at 9.57295 41.5081 28.7186 in (null):K-9999 (3) and CG(83) at 8.03103 41.7727 27.2808 in (null):E-9999 (11) other bump:1.82622 Ang NZ(25) at 9.57295 41.5081 28.7186 in (null):K-9999 (3) and CB(82) at 8.88686 42.9119 27.7733 in (null):E-9999 (11) Number of specific fragments= 13 total=568 Number of alignments=48 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/6acn/T0147_twice-6acn-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 6acn read from /projects/compbio/experiments/casp5/t0147/t0147_twice/6acn/T0147_twice-6acn-2track-protein-STR-local-adpstyle1.pw.a2m.gz # adding 6acn to template set 6acn:Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: OE for alphabet: pdb_atoms # found chain 6acn in template set T0147_twice 111 :ATNTQAMIATIASGNVHIISHPGNPK 6acn 78 :MAMLQFISSGLPKVAVPSTIHCDHLI Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues self-bump: 1.25736 Ang N(170) at 48.981 40.018 43.912 in (null):P-9999 (25) and CD(174) at 49.3788 39.549 42.8153 in (null):P-9999 (25) neighbor-bump: 2.39733 Ang N(162) at 50.95 37.868 43.488 in (null):N-9999 (24) and CD(174) at 49.3788 39.549 42.8153 in (null):P-9999 (25) neighbor-bump: 2.2161 Ang CA(163) at 51.372 39.225 43.728 in (null):N-9999 (24) and CD(174) at 49.3788 39.549 42.8153 in (null):P-9999 (25) neighbor-bump: 2.72819 Ang CB(164) at 52.0568 39.6204 42.2994 in (null):N-9999 (24) and CD(174) at 49.3788 39.549 42.8153 in (null):P-9999 (25) neighbor-bump: 1.71398 Ang C(169) at 50.296 40.275 44.068 in (null):N-9999 (24) and CD(174) at 49.3788 39.549 42.8153 in (null):P-9999 (25) self-bump: 2.12649 Ang N(170) at 48.981 40.018 43.912 in (null):P-9999 (25) and CG(173) at 48.3989 40.2296 41.8777 in (null):P-9999 (25) other bump:2.57795 Ang CG1(130) at 53.3621 27.8587 35.3881 in (null):I-9999 (19) and NE2(148) at 53.392 29.001 37.699 in (null):H-9999 (21) other bump:2.16676 Ang CD1(132) at 53.6793 27.1027 36.6946 in (null):I-9999 (19) and NE2(148) at 53.392 29.001 37.699 in (null):H-9999 (21) other bump:2.36802 Ang CD1(132) at 53.6793 27.1027 36.6946 in (null):I-9999 (19) and CE1(147) at 53.005 28.235 38.662 in (null):H-9999 (21) neighbor-bump: 2.59216 Ang C(63) at 50.049 38.084 17.399 in (null):A-9999 (9) and CB(66) at 48.0909 37.9612 15.7049 in (null):T-9999 (10) neighbor-bump: 2.23279 Ang O(62) at 50.262 38.149 16.191 in (null):A-9999 (9) and CB(66) at 48.0909 37.9612 15.7049 in (null):T-9999 (10) T0147_twice 137 :YEIDVKAVAEAAAKHQVAL 6acn 120 :NQEVYNFLATAGAKYGVGF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 2.6431 Ang C(114) at 46.458 28.963 25.203 in (null):H-9999 (15) and CB(117) at 47.226 26.4358 25.3011 in (null):Q-9999 (16) other bump:2.66266 Ang CE(51) at 36.8138 35.342 32.5623 in (null):K-9999 (6) and OE2(78) at 35.5321 33.8966 30.7298 in (null):E-9999 (10) other bump:2.13803 Ang NZ(52) at 35.6664 34.4041 32.8024 in (null):K-9999 (6) and OE2(78) at 35.5321 33.8966 30.7298 in (null):E-9999 (10) other bump:1.87693 Ang CD(50) at 36.7033 36.564 33.4538 in (null):K-9999 (6) and OE1(77) at 36.5757 35.3328 32.0428 in (null):E-9999 (10) other bump:0.571534 Ang CE(51) at 36.8138 35.342 32.5623 in (null):K-9999 (6) and OE1(77) at 36.5757 35.3328 32.0428 in (null):E-9999 (10) other bump:1.50539 Ang NZ(52) at 35.6664 34.4041 32.8024 in (null):K-9999 (6) and OE1(77) at 36.5757 35.3328 32.0428 in (null):E-9999 (10) other bump:3.08914 Ang CD(50) at 36.7033 36.564 33.4538 in (null):K-9999 (6) and CD(76) at 36.5222 34.2626 31.401 in (null):E-9999 (10) other bump:1.61199 Ang CE(51) at 36.8138 35.342 32.5623 in (null):K-9999 (6) and CD(76) at 36.5222 34.2626 31.401 in (null):E-9999 (10) other bump:1.64807 Ang NZ(52) at 35.6664 34.4041 32.8024 in (null):K-9999 (6) and CD(76) at 36.5222 34.2626 31.401 in (null):E-9999 (10) other bump:2.44213 Ang CE(51) at 36.8138 35.342 32.5623 in (null):K-9999 (6) and CG(75) at 37.7151 33.3619 31.4528 in (null):E-9999 (10) T0147_twice 165 :SRKGSEDNCREVAAAVRDAGGW 6acn 139 :WRPGSGIIHQIILENYAYPGVL Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.8963 Ang CG2(93) at 59.637 26.22 39.073 in (null):V-9999 (12) and NH2(126) at 61.2664 28.5969 39.3631 in (null):R-9999 (17) other bump:2.09468 Ang CG2(93) at 59.637 26.22 39.073 in (null):V-9999 (12) and NH1(125) at 60.5246 26.9699 40.8159 in (null):R-9999 (17) other bump:2.73695 Ang CB(91) at 58.348 26.646 39.758 in (null):V-9999 (12) and CZ(124) at 60.9974 27.3196 39.625 in (null):R-9999 (17) other bump:1.83427 Ang CG2(93) at 59.637 26.22 39.073 in (null):V-9999 (12) and CZ(124) at 60.9974 27.3196 39.625 in (null):R-9999 (17) other bump:1.63563 Ang CG2(93) at 59.637 26.22 39.073 in (null):V-9999 (12) and NE(123) at 61.2155 26.4068 38.6872 in (null):R-9999 (17) other bump:1.84507 Ang CG2(93) at 59.637 26.22 39.073 in (null):V-9999 (12) and CD(122) at 60.9817 24.9774 38.8449 in (null):R-9999 (17) other bump:2.70514 Ang C(37) at 48.932 28.365 45.995 in (null):S-9999 (5) and OE1(85) at 50.4975 27.8115 43.8594 in (null):E-9999 (11) other bump:2.13329 Ang CB(40) at 51.6547 28.1791 45.6135 in (null):E-9999 (6) and OE1(85) at 50.4975 27.8115 43.8594 in (null):E-9999 (11) other bump:2.59223 Ang CB(40) at 51.6547 28.1791 45.6135 in (null):E-9999 (6) and CD(84) at 51.4743 27.7067 43.0711 in (null):E-9999 (11) other bump:2.7379 Ang CB(40) at 51.6547 28.1791 45.6135 in (null):E-9999 (6) and CG(83) at 52.5745 26.7712 43.4531 in (null):E-9999 (11) other bump:2.61458 Ang CD(42) at 51.6855 25.6482 45.6405 in (null):E-9999 (6) and CG(83) at 52.5745 26.7712 43.4531 in (null):E-9999 (11) other bump:1.81131 Ang OE2(44) at 52.7033 25.7148 44.9188 in (null):E-9999 (6) and CG(83) at 52.5745 26.7712 43.4531 in (null):E-9999 (11) other bump:2.88154 Ang OE2(44) at 52.7033 25.7148 44.9188 in (null):E-9999 (6) and CA(81) at 54.824 25.781 42.969 in (null):E-9999 (11) self-bump: 1.39496 Ang CA(56) at 55.369 30.835 41.725 in (null):N-9999 (8) and CB(57) at 55.3922 31.4717 40.484 in (null):N-9999 (8) neighbor-bump: 2.706 Ang C(37) at 48.932 28.365 45.995 in (null):S-9999 (5) and CG(41) at 51.1923 26.9128 46.318 in (null):E-9999 (6) neighbor-bump: 1.83935 Ang O(36) at 49.39 27.275 46.378 in (null):S-9999 (5) and CG(41) at 51.1923 26.9128 46.318 in (null):E-9999 (6) T0147_twice 188 :ALGSDSHTAFTMGE 6acn 161 :LIGTDSHTPNGGGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0147_twice 247 :YPVDLHMHTVASTHAYST 6acn 175 :GGICIGVGGADAVDVMAG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.21401 Ang CE(59) at 59.2502 34.7427 29.7453 in (null):M-9999 (7) and CB(93) at 57.3132 35.3431 28.8568 in (null):S-9999 (12) other bump:2.37322 Ang CE(59) at 59.2502 34.7427 29.7453 in (null):M-9999 (7) and CA(92) at 58.202 35.132 27.652 in (null):S-9999 (12) other bump:2.6858 Ang CE(59) at 59.2502 34.7427 29.7453 in (null):M-9999 (7) and N(91) at 59.162 36.197 27.489 in (null):S-9999 (12) neighbor-bump: 2.93144 Ang CD2(66) at 58.9537 42.8831 29.3228 in (null):H-9999 (8) and N(72) at 58.2 40.199 30.229 in (null):T-9999 (9) other bump:2.85537 Ang CG(17) at 65.855 23.6466 37.8882 in (null):P-9999 (2) and OD2(33) at 64.8683 26.3029 37.5368 in (null):D-9999 (4) other bump:2.55303 Ang C(1) at 67.382 20.844 40.198 in (null):G-9999 (0) and CD(18) at 66.8703 22.7029 38.5245 in (null):P-9999 (2) neighbor-bump: 2.59256 Ang N(2) at 68.555 21.447 40.043 in (null):Y-9999 (1) and CD(18) at 66.8703 22.7029 38.5245 in (null):P-9999 (2) T0147_twice 299 :INMRIWPRVVDGVGILRGIEA 6acn 193 :IPWELKCPKVIGVKLTGSLSG Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 2.48116 Ang CB(164) at 74.0774 24.5498 65.6005 in (null):A-9999 (21) and N(167) at 73.163 26.374 64.189 in (null):G-9999 (22) self-bump: 2.20477 Ang CB(164) at 74.0774 24.5498 65.6005 in (null):A-9999 (21) and C(166) at 72.939 25.14 63.807 in (null):A-9999 (21) self-bump: 1.26176 Ang CA(163) at 73.911 24.199 64.4 in (null):A-9999 (21) and CB(164) at 74.0774 24.5498 65.6005 in (null):A-9999 (21) neighbor-bump: 2.18988 Ang O(128) at 82.543 23.149 53.497 in (null):L-9999 (16) and CD(134) at 81.5293 24.7982 54.5207 in (null):R-9999 (17) neighbor-bump: 1.44955 Ang O(128) at 82.543 23.149 53.497 in (null):L-9999 (16) and CG(133) at 81.3485 23.3035 54.3035 in (null):R-9999 (17) neighbor-bump: 2.41341 Ang C(129) at 82.949 22.121 52.938 in (null):L-9999 (16) and CG(133) at 81.3485 23.3035 54.3035 in (null):R-9999 (17) neighbor-bump: 1.93286 Ang O(128) at 82.543 23.149 53.497 in (null):L-9999 (16) and CB(132) at 82.2248 22.537 55.3026 in (null):R-9999 (17) neighbor-bump: 2.50777 Ang C(129) at 82.949 22.121 52.938 in (null):L-9999 (16) and CB(132) at 82.2248 22.537 55.3026 in (null):R-9999 (17) other bump:3.23803 Ang CG1(40) at 70.9875 34.3864 28.457 in (null):I-9999 (5) and CZ(72) at 71.6843 33.181 31.3804 in (null):R-9999 (8) T0147_twice 355 :KATNTQAMIA 6acn 214 :WTSPKDVILK Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.59375 Ang CB(18) at 69.9824 27.9972 57.4781 in (null):T-9999 (3) and OE1(43) at 72.3158 29.1273 57.5531 in (null):Q-9999 (6) other bump:2.26411 Ang CA(17) at 71.296 27.107 57.486 in (null):T-9999 (3) and OE1(43) at 72.3158 29.1273 57.5531 in (null):Q-9999 (6) other bump:2.07913 Ang OG1(20) at 70.2898 29.3517 57.144 in (null):T-9999 (3) and OE1(43) at 72.3158 29.1273 57.5531 in (null):Q-9999 (6) other bump:2.11908 Ang O(21) at 72.867 27.958 55.874 in (null):T-9999 (3) and OE1(43) at 72.3158 29.1273 57.5531 in (null):Q-9999 (6) other bump:2.41097 Ang C(22) at 71.859 27.283 56.069 in (null):T-9999 (3) and OE1(43) at 72.3158 29.1273 57.5531 in (null):Q-9999 (6) other bump:1.65531 Ang N(16) at 72.2 27.725 58.425 in (null):T-9999 (3) and OE1(43) at 72.3158 29.1273 57.5531 in (null):Q-9999 (6) other bump:2.57382 Ang OG1(20) at 70.2898 29.3517 57.144 in (null):T-9999 (3) and CD(42) at 72.4923 30.1741 58.1913 in (null):Q-9999 (6) other bump:2.4775 Ang N(16) at 72.2 27.725 58.425 in (null):T-9999 (3) and CD(42) at 72.4923 30.1741 58.1913 in (null):Q-9999 (6) T0147_twice 386 :VKAVAEAAAKHQVALEINNSSF 6acn 224 :VAGILTVKGGTGAIVEYHGPGV Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 1.97563 Ang O(130) at 81.169 22.905 45.51 in (null):N-9999 (18) and CG(135) at 81.3522 22.3806 47.4059 in (null):N-9999 (19) neighbor-bump: 2.80603 Ang C(131) at 80.955 22.075 44.645 in (null):N-9999 (18) and CG(135) at 81.3522 22.3806 47.4059 in (null):N-9999 (19) neighbor-bump: 2.21722 Ang O(130) at 81.169 22.905 45.51 in (null):N-9999 (18) and CB(134) at 82.6135 21.8199 46.7952 in (null):N-9999 (19) other bump:2.89769 Ang CA(31) at 80.563 39.417 45.586 in (null):A-9999 (5) and CB(56) at 79.7812 40.3064 42.9413 in (null):A-9999 (9) other bump:2.61406 Ang CB(32) at 79.805 38.426 44.757 in (null):A-9999 (5) and CB(56) at 79.7812 40.3064 42.9413 in (null):A-9999 (9) other bump:2.15428 Ang O(33) at 80.371 41.577 44.578 in (null):A-9999 (5) and CB(56) at 79.7812 40.3064 42.9413 in (null):A-9999 (9) other bump:2.53038 Ang C(34) at 79.952 40.796 45.418 in (null):A-9999 (5) and CB(56) at 79.7812 40.3064 42.9413 in (null):A-9999 (9) neighbor-bump: 2.29824 Ang O(33) at 80.371 41.577 44.578 in (null):A-9999 (5) and CG(38) at 79.662 43.7254 44.9825 in (null):E-9999 (6) T0147_twice 411 :RKGSEDNCREVAAAVRDAGGWVAL 6acn 246 :DSISCTGMATICNMGAEIGATTSV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.19709 Ang OG(29) at 67.866 21.256 52.548 in (null):S-9999 (4) and OD1(54) at 68.7281 22.723 53.9379 in (null):N-9999 (7) other bump:2.7221 Ang OG(29) at 67.866 21.256 52.548 in (null):S-9999 (4) and CG(52) at 68.4958 23.7856 53.3319 in (null):N-9999 (7) T0147_twice 467 :VSPRRLLNFLESRGMAPIAEFAD 6acn 271 :PYNHRMKKYLSKTGRADIANLAD Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.43193 Ang CD1(56) at 66.4238 10.246 41.9951 in (null):L-9999 (7) and CB(147) at 64.213 10.655 41.068 in (null):A-9999 (19) other bump:3.11409 Ang CD1(56) at 66.4238 10.246 41.9951 in (null):L-9999 (7) and CA(146) at 64.552 10.886 39.59 in (null):A-9999 (19) other bump:2.16776 Ang CE(122) at 58.8682 16.2444 37.9885 in (null):M-9999 (15) and CD1(142) at 59.531 14.782 36.532 in (null):I-9999 (18) neighbor-bump: 2.43044 Ang N(125) at 59.191 10.256 41.19 in (null):A-9999 (16) and CD(134) at 58.5177 8.84576 39.3286 in (null):P-9999 (17) neighbor-bump: 2.3271 Ang CA(10) at 72.04 16.533 40.261 in (null):S-9999 (2) and CD(19) at 72.22 16.8714 42.5563 in (null):P-9999 (3) neighbor-bump: 1.8327 Ang C(14) at 72.795 15.68 41.288 in (null):S-9999 (2) and CD(19) at 72.22 16.8714 42.5563 in (null):P-9999 (3) other bump:2.76035 Ang C(8) at 73.532 18.417 40.683 in (null):V-9999 (1) and CD(19) at 72.22 16.8714 42.5563 in (null):P-9999 (3) other bump:1.96915 Ang O(7) at 73.398 18.31 41.908 in (null):V-9999 (1) and CD(19) at 72.22 16.8714 42.5563 in (null):P-9999 (3) Number of specific fragments= 10 total=578 Number of alignments=49 # Reading fragments from alignment file # T0147_twice read from /projects/compbio/experiments/casp5/t0147/t0147_twice/6acn/T0147_twice-6acn-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 6acn read from /projects/compbio/experiments/casp5/t0147/t0147_twice/6acn/T0147_twice-6acn-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 6acn in template set T0147_twice 111 :ATNTQAMIATIASGNVHIISHPGNPK 6acn 78 :MAMLQFISSGLPKVAVPSTIHCDHLI Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues self-bump: 1.25736 Ang N(170) at 48.981 40.018 43.912 in (null):P-9999 (25) and CD(174) at 49.3788 39.549 42.8153 in (null):P-9999 (25) neighbor-bump: 2.39733 Ang N(162) at 50.95 37.868 43.488 in (null):N-9999 (24) and CD(174) at 49.3788 39.549 42.8153 in (null):P-9999 (25) neighbor-bump: 2.2161 Ang CA(163) at 51.372 39.225 43.728 in (null):N-9999 (24) and CD(174) at 49.3788 39.549 42.8153 in (null):P-9999 (25) neighbor-bump: 2.72819 Ang CB(164) at 52.0568 39.6204 42.2994 in (null):N-9999 (24) and CD(174) at 49.3788 39.549 42.8153 in (null):P-9999 (25) neighbor-bump: 1.71398 Ang C(169) at 50.296 40.275 44.068 in (null):N-9999 (24) and CD(174) at 49.3788 39.549 42.8153 in (null):P-9999 (25) self-bump: 2.12649 Ang N(170) at 48.981 40.018 43.912 in (null):P-9999 (25) and CG(173) at 48.3989 40.2296 41.8777 in (null):P-9999 (25) other bump:2.57795 Ang CG1(130) at 53.3621 27.8587 35.3881 in (null):I-9999 (19) and NE2(148) at 53.392 29.001 37.699 in (null):H-9999 (21) other bump:2.16676 Ang CD1(132) at 53.6793 27.1027 36.6946 in (null):I-9999 (19) and NE2(148) at 53.392 29.001 37.699 in (null):H-9999 (21) other bump:2.36802 Ang CD1(132) at 53.6793 27.1027 36.6946 in (null):I-9999 (19) and CE1(147) at 53.005 28.235 38.662 in (null):H-9999 (21) neighbor-bump: 2.59216 Ang C(63) at 50.049 38.084 17.399 in (null):A-9999 (9) and CB(66) at 48.0909 37.9612 15.7049 in (null):T-9999 (10) neighbor-bump: 2.23279 Ang O(62) at 50.262 38.149 16.191 in (null):A-9999 (9) and CB(66) at 48.0909 37.9612 15.7049 in (null):T-9999 (10) T0147_twice 137 :YEIDVKAVAEAAAKHQVAL 6acn 120 :NQEVYNFLATAGAKYGVGF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 2.6431 Ang C(114) at 46.458 28.963 25.203 in (null):H-9999 (15) and CB(117) at 47.226 26.4358 25.3011 in (null):Q-9999 (16) other bump:2.66266 Ang CE(51) at 36.8138 35.342 32.5623 in (null):K-9999 (6) and OE2(78) at 35.5321 33.8966 30.7298 in (null):E-9999 (10) other bump:2.13803 Ang NZ(52) at 35.6664 34.4041 32.8024 in (null):K-9999 (6) and OE2(78) at 35.5321 33.8966 30.7298 in (null):E-9999 (10) other bump:1.87693 Ang CD(50) at 36.7033 36.564 33.4538 in (null):K-9999 (6) and OE1(77) at 36.5757 35.3328 32.0428 in (null):E-9999 (10) other bump:0.571534 Ang CE(51) at 36.8138 35.342 32.5623 in (null):K-9999 (6) and OE1(77) at 36.5757 35.3328 32.0428 in (null):E-9999 (10) other bump:1.50539 Ang NZ(52) at 35.6664 34.4041 32.8024 in (null):K-9999 (6) and OE1(77) at 36.5757 35.3328 32.0428 in (null):E-9999 (10) other bump:3.08914 Ang CD(50) at 36.7033 36.564 33.4538 in (null):K-9999 (6) and CD(76) at 36.5222 34.2626 31.401 in (null):E-9999 (10) other bump:1.61199 Ang CE(51) at 36.8138 35.342 32.5623 in (null):K-9999 (6) and CD(76) at 36.5222 34.2626 31.401 in (null):E-9999 (10) other bump:1.64807 Ang NZ(52) at 35.6664 34.4041 32.8024 in (null):K-9999 (6) and CD(76) at 36.5222 34.2626 31.401 in (null):E-9999 (10) other bump:2.44213 Ang CE(51) at 36.8138 35.342 32.5623 in (null):K-9999 (6) and CG(75) at 37.7151 33.3619 31.4528 in (null):E-9999 (10) T0147_twice 165 :SRKGSEDNCREVAAAVRDA 6acn 139 :WRPGSGIIHQIILENYAYP Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.8963 Ang CG2(93) at 59.637 26.22 39.073 in (null):V-9999 (12) and NH2(126) at 61.2664 28.5969 39.3631 in (null):R-9999 (17) other bump:2.09468 Ang CG2(93) at 59.637 26.22 39.073 in (null):V-9999 (12) and NH1(125) at 60.5246 26.9699 40.8159 in (null):R-9999 (17) other bump:2.73695 Ang CB(91) at 58.348 26.646 39.758 in (null):V-9999 (12) and CZ(124) at 60.9974 27.3196 39.625 in (null):R-9999 (17) other bump:1.83427 Ang CG2(93) at 59.637 26.22 39.073 in (null):V-9999 (12) and CZ(124) at 60.9974 27.3196 39.625 in (null):R-9999 (17) other bump:1.63563 Ang CG2(93) at 59.637 26.22 39.073 in (null):V-9999 (12) and NE(123) at 61.2155 26.4068 38.6872 in (null):R-9999 (17) other bump:1.84507 Ang CG2(93) at 59.637 26.22 39.073 in (null):V-9999 (12) and CD(122) at 60.9817 24.9774 38.8449 in (null):R-9999 (17) other bump:2.70514 Ang C(37) at 48.932 28.365 45.995 in (null):S-9999 (5) and OE1(85) at 50.4975 27.8115 43.8594 in (null):E-9999 (11) other bump:2.13329 Ang CB(40) at 51.6547 28.1791 45.6135 in (null):E-9999 (6) and OE1(85) at 50.4975 27.8115 43.8594 in (null):E-9999 (11) other bump:2.59223 Ang CB(40) at 51.6547 28.1791 45.6135 in (null):E-9999 (6) and CD(84) at 51.4743 27.7067 43.0711 in (null):E-9999 (11) other bump:2.7379 Ang CB(40) at 51.6547 28.1791 45.6135 in (null):E-9999 (6) and CG(83) at 52.5745 26.7712 43.4531 in (null):E-9999 (11) other bump:2.61458 Ang CD(42) at 51.6855 25.6482 45.6405 in (null):E-9999 (6) and CG(83) at 52.5745 26.7712 43.4531 in (null):E-9999 (11) other bump:1.81131 Ang OE2(44) at 52.7033 25.7148 44.9188 in (null):E-9999 (6) and CG(83) at 52.5745 26.7712 43.4531 in (null):E-9999 (11) other bump:2.88154 Ang OE2(44) at 52.7033 25.7148 44.9188 in (null):E-9999 (6) and CA(81) at 54.824 25.781 42.969 in (null):E-9999 (11) self-bump: 1.39496 Ang CA(56) at 55.369 30.835 41.725 in (null):N-9999 (8) and CB(57) at 55.3922 31.4717 40.484 in (null):N-9999 (8) neighbor-bump: 2.706 Ang C(37) at 48.932 28.365 45.995 in (null):S-9999 (5) and CG(41) at 51.1923 26.9128 46.318 in (null):E-9999 (6) neighbor-bump: 1.83935 Ang O(36) at 49.39 27.275 46.378 in (null):S-9999 (5) and CG(41) at 51.1923 26.9128 46.318 in (null):E-9999 (6) T0147_twice 185 :GWVALGSDSHTAFTMGE 6acn 158 :GVLLIGTDSHTPNGGGL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.15969 Ang CD1(10) at 63.1488 24.7457 33.9082 in (null):W-9999 (2) and CB(29) at 62.466 26.784 33.7 in (null):A-9999 (4) other bump:2.6534 Ang CE2(12) at 61.4333 24.6556 32.4983 in (null):W-9999 (2) and CB(29) at 62.466 26.784 33.7 in (null):A-9999 (4) other bump:1.41333 Ang NE1(14) at 62.0868 25.4572 33.3944 in (null):W-9999 (2) and CB(29) at 62.466 26.784 33.7 in (null):A-9999 (4) other bump:3.05915 Ang CD1(10) at 63.1488 24.7457 33.9082 in (null):W-9999 (2) and CA(28) at 62.891 27.353 32.329 in (null):A-9999 (4) other bump:3.0707 Ang CE2(12) at 61.4333 24.6556 32.4983 in (null):W-9999 (2) and CA(28) at 62.891 27.353 32.329 in (null):A-9999 (4) other bump:2.31856 Ang NE1(14) at 62.0868 25.4572 33.3944 in (null):W-9999 (2) and CA(28) at 62.891 27.353 32.329 in (null):A-9999 (4) other bump:2.81551 Ang NE1(14) at 62.0868 25.4572 33.3944 in (null):W-9999 (2) and N(27) at 64.195 26.773 32.071 in (null):A-9999 (4) T0147_twice 247 :YPVDLHMHTVASTHAYST 6acn 175 :GGICIGVGGADAVDVMAG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.21401 Ang CE(59) at 59.2502 34.7427 29.7453 in (null):M-9999 (7) and CB(93) at 57.3132 35.3431 28.8568 in (null):S-9999 (12) other bump:2.37322 Ang CE(59) at 59.2502 34.7427 29.7453 in (null):M-9999 (7) and CA(92) at 58.202 35.132 27.652 in (null):S-9999 (12) other bump:2.6858 Ang CE(59) at 59.2502 34.7427 29.7453 in (null):M-9999 (7) and N(91) at 59.162 36.197 27.489 in (null):S-9999 (12) neighbor-bump: 2.93144 Ang CD2(66) at 58.9537 42.8831 29.3228 in (null):H-9999 (8) and N(72) at 58.2 40.199 30.229 in (null):T-9999 (9) other bump:2.85537 Ang CG(17) at 65.855 23.6466 37.8882 in (null):P-9999 (2) and OD2(33) at 64.8683 26.3029 37.5368 in (null):D-9999 (4) other bump:2.55303 Ang C(1) at 67.382 20.844 40.198 in (null):G-9999 (0) and CD(18) at 66.8703 22.7029 38.5245 in (null):P-9999 (2) neighbor-bump: 2.59256 Ang N(2) at 68.555 21.447 40.043 in (null):Y-9999 (1) and CD(18) at 66.8703 22.7029 38.5245 in (null):P-9999 (2) T0147_twice 299 :INMRIWPRVVDGVGILRG 6acn 193 :IPWELKCPKVIGVKLTGS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 2.18988 Ang O(128) at 82.543 23.149 53.497 in (null):L-9999 (16) and CD(134) at 81.5293 24.7982 54.5207 in (null):R-9999 (17) neighbor-bump: 1.44955 Ang O(128) at 82.543 23.149 53.497 in (null):L-9999 (16) and CG(133) at 81.3485 23.3035 54.3035 in (null):R-9999 (17) neighbor-bump: 2.41341 Ang C(129) at 82.949 22.121 52.938 in (null):L-9999 (16) and CG(133) at 81.3485 23.3035 54.3035 in (null):R-9999 (17) neighbor-bump: 1.93286 Ang O(128) at 82.543 23.149 53.497 in (null):L-9999 (16) and CB(132) at 82.2248 22.537 55.3026 in (null):R-9999 (17) neighbor-bump: 2.50777 Ang C(129) at 82.949 22.121 52.938 in (null):L-9999 (16) and CB(132) at 82.2248 22.537 55.3026 in (null):R-9999 (17) other bump:3.23803 Ang CG1(40) at 70.9875 34.3864 28.457 in (null):I-9999 (5) and CZ(72) at 71.6843 33.181 31.3804 in (null):R-9999 (8) T0147_twice 352 :PHDKATNTQAMIA 6acn 211 :LSGWTSPKDVILK Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.41097 Ang C(47) at 71.859 27.283 56.069 in (null):T-9999 (6) and OE1(68) at 72.3158 29.1273 57.5531 in (null):Q-9999 (9) other bump:2.26411 Ang CA(42) at 71.296 27.107 57.486 in (null):T-9999 (6) and OE1(68) at 72.3158 29.1273 57.5531 in (null):Q-9999 (9) other bump:2.59375 Ang CB(43) at 69.9824 27.9972 57.4781 in (null):T-9999 (6) and OE1(68) at 72.3158 29.1273 57.5531 in (null):Q-9999 (9) other bump:2.07913 Ang OG1(45) at 70.2898 29.3517 57.144 in (null):T-9999 (6) and OE1(68) at 72.3158 29.1273 57.5531 in (null):Q-9999 (9) other bump:2.11908 Ang O(46) at 72.867 27.958 55.874 in (null):T-9999 (6) and OE1(68) at 72.3158 29.1273 57.5531 in (null):Q-9999 (9) other bump:1.65531 Ang N(41) at 72.2 27.725 58.425 in (null):T-9999 (6) and OE1(68) at 72.3158 29.1273 57.5531 in (null):Q-9999 (9) other bump:2.57382 Ang OG1(45) at 70.2898 29.3517 57.144 in (null):T-9999 (6) and CD(67) at 72.4923 30.1741 58.1913 in (null):Q-9999 (9) other bump:2.4775 Ang N(41) at 72.2 27.725 58.425 in (null):T-9999 (6) and CD(67) at 72.4923 30.1741 58.1913 in (null):Q-9999 (9) neighbor-bump: 2.47435 Ang CB(21) at 74.0358 24.5564 65.6232 in (null):D-9999 (3) and N(27) at 73.163 26.374 64.189 in (null):K-9999 (4) self-bump: 2.20049 Ang CB(21) at 74.0358 24.5564 65.6232 in (null):D-9999 (3) and C(26) at 72.939 25.14 63.807 in (null):D-9999 (3) self-bump: 1.28042 Ang CA(20) at 73.911 24.199 64.4 in (null):D-9999 (3) and CB(21) at 74.0358 24.5564 65.6232 in (null):D-9999 (3) other bump:3.07032 Ang C(1) at 78.415 21.467 57.247 in (null):G-9999 (0) and CE1(15) at 79.8706 21.5528 59.949 in (null):H-9999 (2) other bump:2.15186 Ang O(0) at 79.159 22.113 57.997 in (null):G-9999 (0) and CE1(15) at 79.8706 21.5528 59.949 in (null):H-9999 (2) other bump:2.47585 Ang O(0) at 79.159 22.113 57.997 in (null):G-9999 (0) and ND1(14) at 79.1047 22.5136 60.4396 in (null):H-9999 (2) T0147_twice 386 :VKAVAEAAAKHQVALEINNSSF 6acn 224 :VAGILTVKGGTGAIVEYHGPGV Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 1.97563 Ang O(130) at 81.169 22.905 45.51 in (null):N-9999 (18) and CG(135) at 81.3522 22.3806 47.4059 in (null):N-9999 (19) neighbor-bump: 2.80603 Ang C(131) at 80.955 22.075 44.645 in (null):N-9999 (18) and CG(135) at 81.3522 22.3806 47.4059 in (null):N-9999 (19) neighbor-bump: 2.21722 Ang O(130) at 81.169 22.905 45.51 in (null):N-9999 (18) and CB(134) at 82.6135 21.8199 46.7952 in (null):N-9999 (19) other bump:2.89769 Ang CA(31) at 80.563 39.417 45.586 in (null):A-9999 (5) and CB(56) at 79.7812 40.3064 42.9413 in (null):A-9999 (9) other bump:2.61406 Ang CB(32) at 79.805 38.426 44.757 in (null):A-9999 (5) and CB(56) at 79.7812 40.3064 42.9413 in (null):A-9999 (9) other bump:2.15428 Ang O(33) at 80.371 41.577 44.578 in (null):A-9999 (5) and CB(56) at 79.7812 40.3064 42.9413 in (null):A-9999 (9) other bump:2.53038 Ang C(34) at 79.952 40.796 45.418 in (null):A-9999 (5) and CB(56) at 79.7812 40.3064 42.9413 in (null):A-9999 (9) neighbor-bump: 2.29824 Ang O(33) at 80.371 41.577 44.578 in (null):A-9999 (5) and CG(38) at 79.662 43.7254 44.9825 in (null):E-9999 (6) T0147_twice 411 :RKGSEDNCREVAAAVRDAGGWVAL 6acn 246 :DSISCTGMATICNMGAEIGATTSV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.19709 Ang OG(29) at 67.866 21.256 52.548 in (null):S-9999 (4) and OD1(54) at 68.7281 22.723 53.9379 in (null):N-9999 (7) other bump:2.7221 Ang OG(29) at 67.866 21.256 52.548 in (null):S-9999 (4) and CG(52) at 68.4958 23.7856 53.3319 in (null):N-9999 (7) T0147_twice 466 :NVSPRRLLNFLESRGMAPIAEFA 6acn 270 :FPYNHRMKKYLSKTGRADIANLA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.43193 Ang CD1(64) at 66.4238 10.246 41.9951 in (null):L-9999 (8) and CB(155) at 64.213 10.655 41.068 in (null):A-9999 (20) other bump:3.11409 Ang CD1(64) at 66.4238 10.246 41.9951 in (null):L-9999 (8) and CA(154) at 64.552 10.886 39.59 in (null):A-9999 (20) other bump:2.16776 Ang CE(130) at 58.8682 16.2444 37.9885 in (null):M-9999 (16) and CD1(150) at 59.531 14.782 36.532 in (null):I-9999 (19) neighbor-bump: 2.43044 Ang N(133) at 59.191 10.256 41.19 in (null):A-9999 (17) and CD(142) at 58.5177 8.84576 39.3286 in (null):P-9999 (18) neighbor-bump: 2.32709 Ang CA(18) at 72.04 16.533 40.261 in (null):S-9999 (3) and CD(27) at 72.22 16.8714 42.5563 in (null):P-9999 (4) neighbor-bump: 1.83269 Ang C(22) at 72.795 15.68 41.288 in (null):S-9999 (3) and CD(27) at 72.22 16.8714 42.5563 in (null):P-9999 (4) other bump:2.76035 Ang C(16) at 73.532 18.417 40.683 in (null):V-9999 (2) and CD(27) at 72.22 16.8714 42.5563 in (null):P-9999 (4) other bump:1.96915 Ang O(15) at 73.398 18.31 41.908 in (null):V-9999 (2) and CD(27) at 72.22 16.8714 42.5563 in (null):P-9999 (4) Number of specific fragments= 10 total=588 Number of alignments=50 # command:# Reading fragments from alignment file # T0147_twice read from T0147_twice.t2k-2track-undertaker.a2m # 1a4mA read from T0147_twice.t2k-2track-undertaker.a2m # found chain 1a4mA in template set T0147_twice 2 :YPVDLHMH 1a4mA 10 :PKVELHVH Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:1.444 Ang OD2(33) at 32.1194 30.3843 50.1863 in (null):D-9999 (4) and CE(59) at 32.7975 30.7877 48.9769 in (null):M-9999 (7) other bump:1.93279 Ang CB(30) at 32.4157 32.6224 49.4498 in (null):D-9999 (4) and CE(59) at 32.7975 30.7877 48.9769 in (null):M-9999 (7) other bump:0.974668 Ang CG(31) at 32.9377 31.2559 49.8201 in (null):D-9999 (4) and CE(59) at 32.7975 30.7877 48.9769 in (null):M-9999 (7) other bump:1.58852 Ang OD1(32) at 34.1646 31.0174 49.7525 in (null):D-9999 (4) and CE(59) at 32.7975 30.7877 48.9769 in (null):M-9999 (7) other bump:1.57693 Ang OD2(33) at 32.1194 30.3843 50.1863 in (null):D-9999 (4) and SD(58) at 32.0918 29.1769 49.1723 in (null):M-9999 (7) other bump:2.3361 Ang CG(31) at 32.9377 31.2559 49.8201 in (null):D-9999 (4) and SD(58) at 32.0918 29.1769 49.1723 in (null):M-9999 (7) other bump:2.83206 Ang OD1(32) at 34.1646 31.0174 49.7525 in (null):D-9999 (4) and SD(58) at 32.0918 29.1769 49.1723 in (null):M-9999 (7) other bump:2.57725 Ang OD2(33) at 32.1194 30.3843 50.1863 in (null):D-9999 (4) and CG(57) at 33.5262 28.2666 49.7639 in (null):M-9999 (7) other bump:3.04721 Ang CG(31) at 32.9377 31.2559 49.8201 in (null):D-9999 (4) and CG(57) at 33.5262 28.2666 49.7639 in (null):M-9999 (7) T0147_twice 14 :THAYSTLSDYIAQAKQKGIK 1a4mA 18 :LDGAIKPETILYFGKKRGIA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.8524 Ang CE(133) at 33.7923 8.47214 34.5791 in (null):K-9999 (17) and CD1(146) at 34.725 6.15 35.948 in (null):I-9999 (19) other bump:2.15374 Ang OG(39) at 31.025 16.8951 44.286 in (null):S-9999 (5) and OH(80) at 32.8911 16.0548 43.615 in (null):Y-9999 (10) other bump:2.12688 Ang OG(39) at 31.025 16.8951 44.286 in (null):S-9999 (5) and CZ(79) at 31.8889 15.1433 43.4442 in (null):Y-9999 (10) other bump:2.2713 Ang CB(38) at 30.5131 17.8476 43.3642 in (null):S-9999 (5) and CE1(77) at 30.5713 15.5777 43.3093 in (null):Y-9999 (10) other bump:1.70158 Ang OG(39) at 31.025 16.8951 44.286 in (null):S-9999 (5) and CE1(77) at 30.5713 15.5777 43.3093 in (null):Y-9999 (10) other bump:2.98969 Ang C(1) at 35.793 23.524 45.953 in (null):G-9999 (0) and CD2(29) at 33.2383 24.7198 46.9437 in (null):Y-9999 (4) other bump:2.43549 Ang O(0) at 34.819 22.942 46.422 in (null):G-9999 (0) and CD2(29) at 33.2383 24.7198 46.9437 in (null):Y-9999 (4) T0147_twice 41 :GPDMEDAPHH 1a4mA 38 :LPADTVEELR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.54855 Ang O(44) at 22.884 10.889 48.748 in (null):D-9999 (6) and CD2(72) at 23.3766 13.381 48.9539 in (null):H-9999 (10) other bump:3.21902 Ang CB(15) at 26.2967 5.73978 48.271 in (null):D-9999 (3) and CA(59) at 25.825 8.806 49.13 in (null):H-9999 (9) other bump:3.04202 Ang CG(16) at 26.8457 5.98905 49.6562 in (null):D-9999 (3) and CA(59) at 25.825 8.806 49.13 in (null):H-9999 (9) other bump:2.16547 Ang OD2(18) at 26.9782 7.18374 49.9831 in (null):D-9999 (3) and CA(59) at 25.825 8.806 49.13 in (null):H-9999 (9) other bump:3.09211 Ang CG(16) at 26.8457 5.98905 49.6562 in (null):D-9999 (3) and N(58) at 24.636 8.152 49.645 in (null):H-9999 (9) other bump:3.06643 Ang CG(16) at 26.8457 5.98905 49.6562 in (null):D-9999 (3) and C(57) at 24.567 7.645 50.868 in (null):P-9999 (8) other bump:2.60951 Ang OD2(18) at 26.9782 7.18374 49.9831 in (null):D-9999 (3) and C(57) at 24.567 7.645 50.868 in (null):P-9999 (8) other bump:2.29043 Ang OD2(18) at 26.9782 7.18374 49.9831 in (null):D-9999 (3) and O(56) at 25.505 7.667 51.669 in (null):P-9999 (8) T0147_twice 87 :GKMF 1a4mA 60 :GFLA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.62181 Ang O(0) at 42.575 11.889 55.376 in (null):G-9999 (0) and CZ(31) at 44.2422 9.86654 55.3129 in (null):F-9999 (4) other bump:3.07104 Ang C(1) at 42.887 12.37 56.465 in (null):G-9999 (0) and CZ(31) at 44.2422 9.86654 55.3129 in (null):F-9999 (4) other bump:1.56538 Ang O(0) at 42.575 11.889 55.376 in (null):G-9999 (0) and CE2(30) at 43.1597 10.5181 55.8546 in (null):F-9999 (4) other bump:2.62685 Ang N(2) at 42.138 12.237 57.558 in (null):G-9999 (1) and CE2(30) at 43.1597 10.5181 55.8546 in (null):F-9999 (4) other bump:2.99293 Ang CA(3) at 40.89 11.485 57.549 in (null):G-9999 (1) and CE2(30) at 43.1597 10.5181 55.8546 in (null):F-9999 (4) other bump:1.96893 Ang C(1) at 42.887 12.37 56.465 in (null):G-9999 (0) and CE2(30) at 43.1597 10.5181 55.8546 in (null):F-9999 (4) other bump:3.05911 Ang C(5) at 39.804 12.111 56.683 in (null):G-9999 (1) and CD2(28) at 41.9047 10.4097 55.251 in (null):F-9999 (4) other bump:1.62892 Ang O(0) at 42.575 11.889 55.376 in (null):G-9999 (0) and CD2(28) at 41.9047 10.4097 55.251 in (null):F-9999 (4) other bump:2.73257 Ang CA(3) at 40.89 11.485 57.549 in (null):G-9999 (1) and CD2(28) at 41.9047 10.4097 55.251 in (null):F-9999 (4) other bump:2.50634 Ang C(1) at 42.887 12.37 56.465 in (null):G-9999 (0) and CD2(28) at 41.9047 10.4097 55.251 in (null):F-9999 (4) T0147_twice 111 :ATNTQAM 1a4mA 76 :REAIKRI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.78123 Ang ND2(18) at 32.7876 15.2036 37.2655 in (null):N-9999 (3) and CE(48) at 33.3268 17.4417 38.826 in (null):M-9999 (7) T0147_twice 140 :DVKAVAEAAAKHQVALEINNSSFL 1a4mA 83 :AYEFVEMKAKEGVVYVEVRYSPHL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.7598 Ang CD(90) at 28.8687 32.9657 48.7739 in (null):Q-9999 (13) and CD2(112) at 31.1103 32.7975 47.1728 in (null):L-9999 (16) other bump:1.6047 Ang NE2(92) at 29.8591 33.3864 47.9869 in (null):Q-9999 (13) and CD2(112) at 31.1103 32.7975 47.1728 in (null):L-9999 (16) other bump:2.58671 Ang CB(54) at 27.676 30.371 45.152 in (null):A-9999 (8) and CD1(111) at 29.9962 31.4931 45.372 in (null):L-9999 (16) other bump:2.5591 Ang NE2(92) at 29.8591 33.3864 47.9869 in (null):Q-9999 (13) and CG(110) at 30.794 32.753 45.6905 in (null):L-9999 (16) T0147_twice 164 :HSRK 1a4mA 109 :NSKV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 171 :DNCR 1a4mA 113 :DPMP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 211 :AVDFPPERILNVSPRRLLNFLESRGMAPI 1a4mA 121 :EGDVTPDDVVDLVNQGLQEGEQAFGIKVR Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.45833 Ang CD1(172) at 29.2117 36.2114 37.6375 in (null):L-9999 (21) and CD(223) at 30.7932 34.9098 38.997 in (null):P-9999 (28) neighbor-bump: 2.03371 Ang C(218) at 31.491 36.12 40.475 in (null):A-9999 (27) and CD(223) at 30.7932 34.9098 38.997 in (null):P-9999 (28) neighbor-bump: 2.82588 Ang C(218) at 31.491 36.12 40.475 in (null):A-9999 (27) and CG(222) at 30.5562 33.5813 39.6584 in (null):P-9999 (28) other bump:2.93923 Ang CD1(172) at 29.2117 36.2114 37.6375 in (null):L-9999 (21) and CA(215) at 30.708 37.317 39.913 in (null):A-9999 (27) other bump:2.43137 Ang CD1(172) at 29.2117 36.2114 37.6375 in (null):L-9999 (21) and C(213) at 28.374 36.682 39.871 in (null):M-9999 (26) other bump:1.35437 Ang CD1(172) at 29.2117 36.2114 37.6375 in (null):L-9999 (21) and O(212) at 28.504 36.124 38.789 in (null):M-9999 (26) other bump:2.98879 Ang CG1(94) at 35.2729 21.5105 31.8216 in (null):V-9999 (12) and NH2(130) at 34.4611 21.1883 34.6799 in (null):R-9999 (16) other bump:2.70293 Ang CG1(94) at 35.2729 21.5105 31.8216 in (null):V-9999 (12) and NH1(129) at 32.9736 20.7052 32.9924 in (null):R-9999 (16) other bump:3.01745 Ang CG1(94) at 35.2729 21.5105 31.8216 in (null):V-9999 (12) and CZ(128) at 33.2865 21.3918 34.0899 in (null):R-9999 (16) other bump:2.82057 Ang C(90) at 38.078 25.377 30.492 in (null):N-9999 (11) and CD(108) at 38.0049 26.7584 32.9501 in (null):P-9999 (14) other bump:3.16694 Ang CA(84) at 39.54 25.842 30.336 in (null):N-9999 (11) and CD(108) at 38.0049 26.7584 32.9501 in (null):P-9999 (14) other bump:1.41811 Ang O(81) at 39.289 26.168 33.067 in (null):L-9999 (10) and CD(108) at 38.0049 26.7584 32.9501 in (null):P-9999 (14) other bump:2.57278 Ang C(82) at 40.227 25.498 32.645 in (null):L-9999 (10) and CD(108) at 38.0049 26.7584 32.9501 in (null):P-9999 (14) other bump:2.06206 Ang O(81) at 39.289 26.168 33.067 in (null):L-9999 (10) and CG(107) at 38.6678 28.0833 32.6222 in (null):P-9999 (14) other bump:3.01917 Ang C(82) at 40.227 25.498 32.645 in (null):L-9999 (10) and CG(107) at 38.6678 28.0833 32.6222 in (null):P-9999 (14) other bump:2.81405 Ang CD2(27) at 40.4919 16.852 32.1286 in (null):F-9999 (4) and CD1(72) at 41.6802 17.8414 34.4797 in (null):I-9999 (9) other bump:2.27785 Ang CE2(29) at 40.077 17.9561 32.8657 in (null):F-9999 (4) and CD1(72) at 41.6802 17.8414 34.4797 in (null):I-9999 (9) other bump:2.4106 Ang CD2(27) at 40.4919 16.852 32.1286 in (null):F-9999 (4) and CG1(70) at 40.8892 18.7559 33.5527 in (null):I-9999 (9) other bump:1.33095 Ang CE2(29) at 40.077 17.9561 32.8657 in (null):F-9999 (4) and CG1(70) at 40.8892 18.7559 33.5527 in (null):I-9999 (9) other bump:1.95386 Ang CZ(30) at 39.4653 18.9995 32.2371 in (null):F-9999 (4) and CG1(70) at 40.8892 18.7559 33.5527 in (null):I-9999 (9) other bump:2.68915 Ang CE2(29) at 40.077 17.9561 32.8657 in (null):F-9999 (4) and CB(69) at 40.9348 20.2352 34.0064 in (null):I-9999 (9) other bump:2.6109 Ang CZ(30) at 39.4653 18.9995 32.2371 in (null):F-9999 (4) and CB(69) at 40.9348 20.2352 34.0064 in (null):I-9999 (9) other bump:2.42361 Ang CZ(30) at 39.4653 18.9995 32.2371 in (null):F-9999 (4) and CA(68) at 40.377 21.161 32.846 in (null):I-9999 (9) other bump:2.8121 Ang CZ(30) at 39.4653 18.9995 32.2371 in (null):F-9999 (4) and N(67) at 41.302 21.065 31.719 in (null):I-9999 (9) other bump:3.16285 Ang CE1(28) at 39.296 18.9646 30.8787 in (null):F-9999 (4) and C(66) at 40.977 21.624 30.554 in (null):R-9999 (8) other bump:2.53263 Ang CD(37) at 43.6428 17.6339 28.3038 in (null):P-9999 (5) and CD(60) at 42.2471 18.8471 26.5733 in (null):R-9999 (8) other bump:2.8313 Ang CG(36) at 44.5016 18.8771 28.2858 in (null):P-9999 (5) and CD(60) at 42.2471 18.8471 26.5733 in (null):R-9999 (8) other bump:3.0287 Ang CD(37) at 43.6428 17.6339 28.3038 in (null):P-9999 (5) and CG(59) at 42.3499 20.179 27.292 in (null):R-9999 (8) other bump:2.70421 Ang CG(36) at 44.5016 18.8771 28.2858 in (null):P-9999 (5) and CG(59) at 42.3499 20.179 27.292 in (null):R-9999 (8) other bump:2.53748 Ang CG1(10) at 41.5485 12.0644 29.0398 in (null):V-9999 (2) and N(22) at 42.34 14.417 28.513 in (null):F-9999 (4) neighbor-bump: 3.20448 Ang CG1(10) at 41.5485 12.0644 29.0398 in (null):V-9999 (2) and CA(15) at 43.19 13.222 26.543 in (null):D-9999 (3) neighbor-bump: 2.18077 Ang CG1(10) at 41.5485 12.0644 29.0398 in (null):V-9999 (2) and N(14) at 42.715 12.012 27.198 in (null):D-9999 (3) T0147_twice 372 :HIIS 1a4mA 150 :SILC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 376 :HPGNP 1a4mA 157 :HQPSW Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.4278 Ang OD1(28) at 54.8622 16.3636 41.9604 in (null):N-9999 (4) and CD(35) at 54.0268 18.5033 41.1742 in (null):P-9999 (5) neighbor-bump: 2.07446 Ang C(30) at 55.388 19.375 39.874 in (null):N-9999 (4) and CD(35) at 54.0268 18.5033 41.1742 in (null):P-9999 (5) self-bump: 1.36493 Ang N(31) at 54.199 19.621 40.41 in (null):P-9999 (5) and CD(35) at 54.0268 18.5033 41.1742 in (null):P-9999 (5) other bump:2.31919 Ang O(17) at 53.137 18.894 43.28 in (null):P-9999 (2) and CD(35) at 54.0268 18.5033 41.1742 in (null):P-9999 (5) other bump:3.04181 Ang C(18) at 53.696 18.27 44.189 in (null):P-9999 (2) and CD(35) at 54.0268 18.5033 41.1742 in (null):P-9999 (5) neighbor-bump: 2.30159 Ang N(23) at 56.056 18.827 42.211 in (null):N-9999 (4) and CD(35) at 54.0268 18.5033 41.1742 in (null):P-9999 (5) T0147_twice 383 :EIDVKAVAEAAAKHQVALEINNSSFL 1a4mA 163 :LEVLELCKKYNQKTVVAMDLAGDETI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:1.69268 Ang OE1(137) at 43.8699 24.9132 46.9662 in (null):E-9999 (19) and OD1(154) at 43.6337 24.1362 48.4513 in (null):N-9999 (21) other bump:2.02339 Ang CD(136) at 43.9473 25.9629 47.6395 in (null):E-9999 (19) and OD1(154) at 43.6337 24.1362 48.4513 in (null):N-9999 (21) other bump:1.41846 Ang OE1(137) at 43.8699 24.9132 46.9662 in (null):E-9999 (19) and ND2(153) at 45.1189 24.2698 46.7707 in (null):N-9999 (21) other bump:2.23469 Ang CD(136) at 43.9473 25.9629 47.6395 in (null):E-9999 (19) and ND2(153) at 45.1189 24.2698 46.7707 in (null):N-9999 (21) other bump:1.68747 Ang OE1(137) at 43.8699 24.9132 46.9662 in (null):E-9999 (19) and CG(152) at 44.6251 23.6987 47.8617 in (null):N-9999 (21) other bump:3.07314 Ang CG(135) at 45.2602 26.6992 47.6682 in (null):E-9999 (19) and CG(152) at 44.6251 23.6987 47.8617 in (null):N-9999 (21) other bump:2.37393 Ang CD(136) at 43.9473 25.9629 47.6395 in (null):E-9999 (19) and CG(152) at 44.6251 23.6987 47.8617 in (null):N-9999 (21) T0147_twice 410 :SRKGSEDNCREVAAAVRDAGGWVAL 1a4mA 189 :EGSSLFPGHVEAYEGAVKNGIHRTV Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.97404 Ang CG1(114) at 52.0639 34.5529 42.5727 in (null):V-9999 (16) and C(149) at 49.816 36.385 41.913 in (null):G-9999 (21) other bump:2.22339 Ang CG1(114) at 52.0639 34.5529 42.5727 in (null):V-9999 (16) and O(148) at 50.708 36.305 42.76 in (null):G-9999 (21) other bump:2.33128 Ang CA(33) at 59.291 24.503 51.927 in (null):S-9999 (5) and NH2(77) at 61.2661 25.118 53.0019 in (null):R-9999 (10) other bump:2.99725 Ang C(37) at 59.859 23.653 50.798 in (null):S-9999 (5) and NH2(77) at 61.2661 25.118 53.0019 in (null):R-9999 (10) other bump:1.30755 Ang CB(34) at 60.2206 24.3701 53.241 in (null):S-9999 (5) and NH2(77) at 61.2661 25.118 53.0019 in (null):R-9999 (10) other bump:2.46843 Ang OG(35) at 60.1414 23.0655 53.7865 in (null):S-9999 (5) and NH2(77) at 61.2661 25.118 53.0019 in (null):R-9999 (10) other bump:2.59952 Ang CA(33) at 59.291 24.503 51.927 in (null):S-9999 (5) and CZ(75) at 61.6174 25.6597 51.8406 in (null):R-9999 (10) other bump:2.86457 Ang C(37) at 59.859 23.653 50.798 in (null):S-9999 (5) and CZ(75) at 61.6174 25.6597 51.8406 in (null):R-9999 (10) other bump:2.36116 Ang CB(34) at 60.2206 24.3701 53.241 in (null):S-9999 (5) and CZ(75) at 61.6174 25.6597 51.8406 in (null):R-9999 (10) other bump:2.39532 Ang O(36) at 61.021 23.821 50.426 in (null):S-9999 (5) and CZ(75) at 61.6174 25.6597 51.8406 in (null):R-9999 (10) other bump:2.4373 Ang CA(33) at 59.291 24.503 51.927 in (null):S-9999 (5) and NE(74) at 60.7185 26.3079 51.124 in (null):R-9999 (10) other bump:2.80956 Ang C(37) at 59.859 23.653 50.798 in (null):S-9999 (5) and NE(74) at 60.7185 26.3079 51.124 in (null):R-9999 (10) other bump:2.91287 Ang CB(34) at 60.2206 24.3701 53.241 in (null):S-9999 (5) and NE(74) at 60.7185 26.3079 51.124 in (null):R-9999 (10) Number of specific fragments= 13 total=601 Number of alignments=51 # 1add read from T0147_twice.t2k-2track-undertaker.a2m # found chain 1add in template set T0147_twice 2 :YPVDLHMH 1add 10 :PKVELHVH Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:0.835806 Ang OD1(32) at 4.20728 29.3026 28.1148 in (null):D-9999 (4) and CE(59) at 4.41934 29.7839 28.7643 in (null):M-9999 (7) other bump:1.95371 Ang CB(30) at 4.33718 31.6731 28.2731 in (null):D-9999 (4) and CE(59) at 4.41934 29.7839 28.7643 in (null):M-9999 (7) other bump:0.62507 Ang CG(31) at 4.06842 30.2916 28.8635 in (null):D-9999 (4) and CE(59) at 4.41934 29.7839 28.7643 in (null):M-9999 (7) other bump:1.52159 Ang OD2(33) at 3.72308 30.1786 30.0584 in (null):D-9999 (4) and CE(59) at 4.41934 29.7839 28.7643 in (null):M-9999 (7) other bump:1.1315 Ang OD1(32) at 4.20728 29.3026 28.1148 in (null):D-9999 (4) and SD(58) at 3.96968 28.1963 28.1255 in (null):M-9999 (7) other bump:2.2236 Ang CG(31) at 4.06842 30.2916 28.8635 in (null):D-9999 (4) and SD(58) at 3.96968 28.1963 28.1255 in (null):M-9999 (7) other bump:2.77963 Ang OD2(33) at 3.72308 30.1786 30.0584 in (null):D-9999 (4) and SD(58) at 3.96968 28.1963 28.1255 in (null):M-9999 (7) other bump:2.58183 Ang OD1(32) at 4.20728 29.3026 28.1148 in (null):D-9999 (4) and CG(57) at 3.6847 27.301 29.6596 in (null):M-9999 (7) T0147_twice 14 :THAYSTLSDYIAQAKQKGIK 1add 18 :LDGAIKPETILYFGKKRGIA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.53533 Ang OG(39) at 7.91536 15.7922 25.8818 in (null):S-9999 (5) and CZ(79) at 9.55538 14.0568 26.7342 in (null):Y-9999 (10) other bump:1.98256 Ang OG(39) at 7.91536 15.7922 25.8818 in (null):S-9999 (5) and CE1(77) at 9.34063 14.4912 25.4273 in (null):Y-9999 (10) other bump:2.19626 Ang CB(38) at 8.88641 16.6347 25.2768 in (null):S-9999 (5) and CE1(77) at 9.34063 14.4912 25.4273 in (null):Y-9999 (10) other bump:2.2938 Ang O(0) at 7.102 21.969 30.273 in (null):G-9999 (0) and CD2(29) at 6.19349 23.5513 28.8829 in (null):Y-9999 (4) other bump:2.90816 Ang C(1) at 7.749 22.555 31.129 in (null):G-9999 (0) and CD2(29) at 6.19349 23.5513 28.8829 in (null):Y-9999 (4) T0147_twice 41 :GPDMEDAPHHW 1add 38 :LPADTVEELRN Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.15845 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and ND1(63) at 4.77248 7.36854 23.6571 in (null):H-9999 (9) other bump:2.60658 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and CG(61) at 4.56846 8.23715 22.6744 in (null):H-9999 (9) other bump:2.59596 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and CB(60) at 3.58142 8.0941 21.5073 in (null):H-9999 (9) other bump:1.87427 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and CA(59) at 2.123 7.798 22.063 in (null):H-9999 (9) other bump:2.55223 Ang CG(16) at 2.64446 5.30694 22.2543 in (null):D-9999 (3) and CA(59) at 2.123 7.798 22.063 in (null):H-9999 (9) other bump:2.66041 Ang OD1(17) at 3.73875 5.76632 22.6456 in (null):D-9999 (3) and CA(59) at 2.123 7.798 22.063 in (null):H-9999 (9) other bump:1.80905 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and N(58) at 1.321 7.317 20.969 in (null):H-9999 (9) other bump:2.72833 Ang CG(16) at 2.64446 5.30694 22.2543 in (null):D-9999 (3) and N(58) at 1.321 7.317 20.969 in (null):H-9999 (9) other bump:1.83591 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and C(57) at 0.197 6.654 21.204 in (null):P-9999 (8) other bump:2.98457 Ang CG(16) at 2.64446 5.30694 22.2543 in (null):D-9999 (3) and C(57) at 0.197 6.654 21.204 in (null):P-9999 (8) other bump:2.05109 Ang OD2(18) at 1.61205 5.99804 22.1725 in (null):D-9999 (3) and O(56) at -0.319 6.675 22.313 in (null):P-9999 (8) T0147_twice 58 :IW 1add 49 :II Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0147_twice 78 :NVDGEIDCSGKMFD 1add 51 :GMDKPLSLPGFLAK Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.69627 Ang CG1(41) at -4.72994 12.5899 36.8601 in (null):I-9999 (6) and N(70) at -2.064 12.358 37.19 in (null):K-9999 (11) other bump:2.86826 Ang CD1(43) at -4.5161 11.2126 36.2402 in (null):I-9999 (6) and N(70) at -2.064 12.358 37.19 in (null):K-9999 (11) other bump:3.21956 Ang CG1(41) at -4.72994 12.5899 36.8601 in (null):I-9999 (6) and C(69) at -1.947 11.038 37.321 in (null):G-9999 (10) other bump:2.79266 Ang CD1(43) at -4.5161 11.2126 36.2402 in (null):I-9999 (6) and C(69) at -1.947 11.038 37.321 in (null):G-9999 (10) other bump:2.54868 Ang OD1(50) at -4.28714 11.4364 40.1051 in (null):D-9999 (7) and CA(67) at -2.527 10.41 38.574 in (null):G-9999 (10) other bump:2.01396 Ang OD1(50) at -4.28714 11.4364 40.1051 in (null):D-9999 (7) and N(66) at -2.319 11.284 39.706 in (null):G-9999 (10) neighbor-bump: 2.60769 Ang CG1(41) at -4.72994 12.5899 36.8601 in (null):I-9999 (6) and O(52) at -3.852 14.235 38.683 in (null):D-9999 (7) neighbor-bump: 2.20158 Ang CB(40) at -5.86385 13.4033 36.2424 in (null):I-9999 (6) and N(46) at -6.168 13.176 38.411 in (null):D-9999 (7) neighbor-bump: 2.47044 Ang CG2(42) at -5.7543 14.8669 36.658 in (null):I-9999 (6) and N(46) at -6.168 13.176 38.411 in (null):D-9999 (7) neighbor-bump: 2.1947 Ang CG1(41) at -4.72994 12.5899 36.8601 in (null):I-9999 (6) and N(46) at -6.168 13.176 38.411 in (null):D-9999 (7) other bump:2.56963 Ang CG1(13) at -6.57581 13.7027 31.0953 in (null):V-9999 (2) and O(27) at -8.792 13.319 32.338 in (null):G-9999 (4) T0147_twice 106 :APH 1add 65 :FDY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.58112 Ang N(2) at 4.481 11.267 33.368 in (null):A-9999 (1) and CD(11) at 5.33956 9.42225 34.9561 in (null):P-9999 (2) T0147_twice 111 :ATNTQAM 1add 76 :REAIKRI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0147_twice 140 :DVKAVAEAAAKHQVALEINNSSFL 1add 83 :AYEFVEMKAKEGVVYVEVRYSPHL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.87987 Ang CD(90) at 3.75021 31.982 24.7195 in (null):Q-9999 (13) and CD2(112) at 5.80991 31.9352 26.7317 in (null):L-9999 (16) other bump:1.68044 Ang NE2(92) at 4.68309 32.4003 25.575 in (null):Q-9999 (13) and CD2(112) at 5.80991 31.9352 26.7317 in (null):L-9999 (16) other bump:2.54713 Ang CB(54) at 7.262 29.44 23.016 in (null):A-9999 (8) and CD1(111) at 7.20831 30.3842 25.381 in (null):L-9999 (16) other bump:2.65597 Ang NE2(92) at 4.68309 32.4003 25.575 in (null):Q-9999 (13) and CG(110) at 7.1856 31.7092 26.1354 in (null):L-9999 (16) T0147_twice 164 :HSRK 1add 109 :NSKV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 171 :DNCR 1add 113 :DPMP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 211 :AVDFPPERILNVSPRRLLNFLESRGMAPI 1add 121 :EGDVTPDDVVDLVNQGLQEGEQAFGIKVR Fragment has 43 clashes (null) has 43 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.95953 Ang C(213) at 12.724 35.271 22.501 in (null):M-9999 (26) and CD(223) at 13.8552 33.8258 24.8228 in (null):P-9999 (28) neighbor-bump: 2.37799 Ang CA(215) at 13.154 36.095 24.704 in (null):A-9999 (27) and CD(223) at 13.8552 33.8258 24.8228 in (null):P-9999 (28) neighbor-bump: 1.74895 Ang C(218) at 12.691 34.911 25.548 in (null):A-9999 (27) and CD(223) at 13.8552 33.8258 24.8228 in (null):P-9999 (28) other bump:2.84418 Ang CG(171) at 16.1544 32.9556 23.3926 in (null):L-9999 (21) and CD(223) at 13.8552 33.8258 24.8228 in (null):P-9999 (28) other bump:2.97729 Ang CD1(172) at 16.814 33.5775 24.6036 in (null):L-9999 (21) and CD(223) at 13.8552 33.8258 24.8228 in (null):P-9999 (28) other bump:1.82406 Ang CD2(173) at 14.7164 33.4427 23.2611 in (null):L-9999 (21) and CD(223) at 13.8552 33.8258 24.8228 in (null):P-9999 (28) neighbor-bump: 2.54068 Ang C(218) at 12.691 34.911 25.548 in (null):A-9999 (27) and CG(222) at 13.0841 32.5396 24.7251 in (null):P-9999 (28) other bump:2.37126 Ang CD2(173) at 14.7164 33.4427 23.2611 in (null):L-9999 (21) and CG(222) at 13.0841 32.5396 24.7251 in (null):P-9999 (28) other bump:2.80892 Ang CD2(173) at 14.7164 33.4427 23.2611 in (null):L-9999 (21) and C(213) at 12.724 35.271 22.501 in (null):M-9999 (26) other bump:1.87185 Ang CD2(173) at 14.7164 33.4427 23.2611 in (null):L-9999 (21) and O(212) at 13.892 34.89 22.407 in (null):M-9999 (26) other bump:2.83322 Ang CE1(163) at 12.1341 27.8676 19.443 in (null):F-9999 (20) and NH1(198) at 10.4465 26.4991 17.6246 in (null):R-9999 (24) other bump:3.23993 Ang CG1(94) at 21.5274 20.2438 27.5662 in (null):V-9999 (12) and NH1(129) at 19.3059 18.8542 25.6606 in (null):R-9999 (16) other bump:1.31931 Ang O(81) at 21.211 25.015 31.597 in (null):L-9999 (10) and CD(108) at 21.2018 25.588 30.4086 in (null):P-9999 (14) other bump:2.46909 Ang C(82) at 21.786 24.449 32.52 in (null):L-9999 (10) and CD(108) at 21.2018 25.588 30.4086 in (null):P-9999 (14) other bump:2.62585 Ang C(90) at 23.355 24.161 29.937 in (null):N-9999 (11) and CD(108) at 21.2018 25.588 30.4086 in (null):P-9999 (14) other bump:3.00042 Ang CA(84) at 23.879 24.575 31.308 in (null):N-9999 (11) and CD(108) at 21.2018 25.588 30.4086 in (null):P-9999 (14) other bump:2.0763 Ang O(81) at 21.211 25.015 31.597 in (null):L-9999 (10) and CG(107) at 21.4889 26.9718 30.9608 in (null):P-9999 (14) other bump:2.98057 Ang C(82) at 21.786 24.449 32.52 in (null):L-9999 (10) and CG(107) at 21.4889 26.9718 30.9608 in (null):P-9999 (14) other bump:3.02382 Ang CE1(28) at 23.3946 17.8746 30.9799 in (null):F-9999 (4) and CG2(95) at 23.6309 20.0636 28.9073 in (null):V-9999 (12) other bump:2.88598 Ang CD2(27) at 22.2604 15.8193 32.3744 in (null):F-9999 (4) and CD1(72) at 20.2276 16.711 34.2188 in (null):I-9999 (9) other bump:2.49139 Ang CE2(29) at 21.5283 16.972 32.11 in (null):F-9999 (4) and CD1(72) at 20.2276 16.711 34.2188 in (null):I-9999 (9) other bump:2.42784 Ang CD2(27) at 22.2604 15.8193 32.3744 in (null):F-9999 (4) and CG1(70) at 21.0018 17.6675 33.3204 in (null):I-9999 (9) other bump:1.49195 Ang CE2(29) at 21.5283 16.972 32.11 in (null):F-9999 (4) and CG1(70) at 21.0018 17.6675 33.3204 in (null):I-9999 (9) other bump:2.23434 Ang CZ(30) at 22.0957 17.9868 31.3984 in (null):F-9999 (4) and CG1(70) at 21.0018 17.6675 33.3204 in (null):I-9999 (9) other bump:2.74977 Ang CE2(29) at 21.5283 16.972 32.11 in (null):F-9999 (4) and CB(69) at 20.5432 19.1361 33.4912 in (null):I-9999 (9) other bump:2.84788 Ang CZ(30) at 22.0957 17.9868 31.3984 in (null):F-9999 (4) and CB(69) at 20.5432 19.1361 33.4912 in (null):I-9999 (9) other bump:2.58411 Ang CZ(30) at 22.0957 17.9868 31.3984 in (null):F-9999 (4) and CA(68) at 21.612 20.126 32.765 in (null):I-9999 (9) other bump:3.00536 Ang CZ(30) at 22.0957 17.9868 31.3984 in (null):F-9999 (4) and N(67) at 22.834 19.964 33.538 in (null):I-9999 (9) other bump:3.10775 Ang CE1(28) at 23.3946 17.8746 30.9799 in (null):F-9999 (4) and C(66) at 23.984 20.233 32.916 in (null):R-9999 (8) other bump:2.95393 Ang CG(36) at 26.9559 17.477 35.3702 in (null):P-9999 (5) and NE(61) at 29.4072 17.2683 33.7351 in (null):R-9999 (8) other bump:1.90867 Ang CD(37) at 26.6805 16.1965 34.6165 in (null):P-9999 (5) and CD(60) at 27.9593 17.2056 33.6218 in (null):R-9999 (8) other bump:2.03398 Ang CG(36) at 26.9559 17.477 35.3702 in (null):P-9999 (5) and CD(60) at 27.9593 17.2056 33.6218 in (null):R-9999 (8) other bump:2.63248 Ang CD(37) at 26.6805 16.1965 34.6165 in (null):P-9999 (5) and CG(59) at 27.3519 18.5897 33.7494 in (null):R-9999 (8) other bump:2.00542 Ang CG(36) at 26.9559 17.477 35.3702 in (null):P-9999 (5) and CG(59) at 27.3519 18.5897 33.7494 in (null):R-9999 (8) other bump:2.87482 Ang CD(37) at 26.6805 16.1965 34.6165 in (null):P-9999 (5) and CB(58) at 25.8979 18.6719 33.3818 in (null):R-9999 (8) other bump:2.54966 Ang CG(36) at 26.9559 17.477 35.3702 in (null):P-9999 (5) and CB(58) at 25.8979 18.6719 33.3818 in (null):R-9999 (8) other bump:2.37937 Ang O(20) at 27.875 14.409 33.597 in (null):D-9999 (3) and CD(37) at 26.6805 16.1965 34.6165 in (null):P-9999 (5) other bump:2.35307 Ang CG1(10) at 25.5321 10.918 33.0601 in (null):V-9999 (2) and N(22) at 26.034 13.179 33.476 in (null):F-9999 (4) neighbor-bump: 3.09274 Ang CG1(10) at 25.5321 10.918 33.0601 in (null):V-9999 (2) and C(21) at 27.328 13.329 33.786 in (null):D-9999 (3) neighbor-bump: 3.02819 Ang CG1(10) at 25.5321 10.918 33.0601 in (null):V-9999 (2) and CA(15) at 28.181 12.084 33.951 in (null):D-9999 (3) neighbor-bump: 2.38353 Ang CB(9) at 25.3112 9.99279 34.2618 in (null):V-9999 (2) and N(14) at 27.447 10.874 33.676 in (null):D-9999 (3) neighbor-bump: 2.012 Ang CG1(10) at 25.5321 10.918 33.0601 in (null):V-9999 (2) and N(14) at 27.447 10.874 33.676 in (null):D-9999 (3) self-bump: 2.16204 Ang CB(9) at 25.3112 9.99279 34.2618 in (null):V-9999 (2) and C(13) at 27.447 9.921 34.59 in (null):V-9999 (2) T0147_twice 372 :HIIS 1add 150 :SILC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 376 :HPGNP 1add 157 :HQPSW Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.26049 Ang O(17) at 14.03 17.785 47.513 in (null):P-9999 (2) and CD(35) at 16.1773 17.1465 47.8153 in (null):P-9999 (5) other bump:3.06214 Ang C(18) at 13.133 17.23 48.135 in (null):P-9999 (2) and CD(35) at 16.1773 17.1465 47.8153 in (null):P-9999 (5) self-bump: 1.37309 Ang N(31) at 17.027 18.225 47.826 in (null):P-9999 (5) and CD(35) at 16.1773 17.1465 47.8153 in (null):P-9999 (5) neighbor-bump: 2.41809 Ang N(23) at 15.691 17.64 50.132 in (null):N-9999 (4) and CD(35) at 16.1773 17.1465 47.8153 in (null):P-9999 (5) neighbor-bump: 2.48456 Ang CG(26) at 16.8993 15.1996 49.1796 in (null):N-9999 (4) and CD(35) at 16.1773 17.1465 47.8153 in (null):P-9999 (5) neighbor-bump: 2.25533 Ang OD1(28) at 15.6988 15.2015 48.852 in (null):N-9999 (4) and CD(35) at 16.1773 17.1465 47.8153 in (null):P-9999 (5) other bump:3.11343 Ang CB(14) at 13.34 15.531 46.364 in (null):P-9999 (2) and CG(34) at 16.1943 16.7744 46.3444 in (null):P-9999 (5) T0147_twice 383 :EIDVKAVAEAAAKHQVALEINNSSFL 1add 163 :LEVLELCKKYNQKTVVAMDLAGDETI Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues neighbor-bump: 1.8775 Ang O(155) at 6.771 20.289 43.754 in (null):N-9999 (21) and CG(160) at 6.01568 19.0626 44.9583 in (null):N-9999 (22) neighbor-bump: 2.77595 Ang C(156) at 6.327 20.562 42.643 in (null):N-9999 (21) and CG(160) at 6.01568 19.0626 44.9583 in (null):N-9999 (22) neighbor-bump: 2.13106 Ang O(155) at 6.771 20.289 43.754 in (null):N-9999 (21) and CB(159) at 6.39108 18.1922 43.7728 in (null):N-9999 (22) neighbor-bump: 2.62617 Ang C(156) at 6.327 20.562 42.643 in (null):N-9999 (21) and CB(159) at 6.39108 18.1922 43.7728 in (null):N-9999 (22) other bump:1.86784 Ang CD(136) at 8.42554 24.597 39.297 in (null):E-9999 (19) and OD1(154) at 9.0232 22.9075 39.8237 in (null):N-9999 (21) other bump:0.856848 Ang OE1(137) at 9.09472 23.5427 39.2531 in (null):E-9999 (19) and OD1(154) at 9.0232 22.9075 39.8237 in (null):N-9999 (21) other bump:1.89021 Ang CD(136) at 8.42554 24.597 39.297 in (null):E-9999 (19) and ND2(153) at 6.87851 23.5219 39.4515 in (null):N-9999 (21) other bump:2.22517 Ang OE1(137) at 9.09472 23.5427 39.2531 in (null):E-9999 (19) and ND2(153) at 6.87851 23.5219 39.4515 in (null):N-9999 (21) other bump:2.00153 Ang OE2(138) at 7.69277 24.9913 38.3634 in (null):E-9999 (19) and ND2(153) at 6.87851 23.5219 39.4515 in (null):N-9999 (21) other bump:2.09684 Ang CD(136) at 8.42554 24.597 39.297 in (null):E-9999 (19) and CG(152) at 7.79022 22.7115 39.9591 in (null):N-9999 (21) other bump:1.7003 Ang OE1(137) at 9.09472 23.5427 39.2531 in (null):E-9999 (19) and CG(152) at 7.79022 22.7115 39.9591 in (null):N-9999 (21) other bump:2.89246 Ang CG(135) at 8.51757 25.4516 40.5332 in (null):E-9999 (19) and CG(152) at 7.79022 22.7115 39.9591 in (null):N-9999 (21) T0147_twice 410 :SRKGSEDNCREVAAAVRDAGGWVAL 1add 189 :EGSSLFPGHVEAYEGAVKNGIHRTV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.98399 Ang CG1(114) at 14.6854 33.2191 46.0276 in (null):V-9999 (16) and CG2(168) at 11.7069 33.2505 45.8483 in (null):V-9999 (23) other bump:3.06933 Ang CG1(114) at 14.6854 33.2191 46.0276 in (null):V-9999 (16) and C(149) at 15.02 35.257 43.757 in (null):G-9999 (21) other bump:2.09158 Ang CG1(114) at 14.6854 33.2191 46.0276 in (null):V-9999 (16) and O(148) at 14.373 34.787 44.679 in (null):G-9999 (21) other bump:2.45037 Ang CA(107) at 18.111 31.886 51.024 in (null):A-9999 (15) and OD1(133) at 18.558 34.1961 51.7082 in (null):D-9999 (18) other bump:2.63835 Ang C(110) at 17.802 32.615 49.736 in (null):A-9999 (15) and OD1(133) at 18.558 34.1961 51.7082 in (null):D-9999 (18) other bump:1.97705 Ang OD1(51) at 12.2767 23.1665 58.8153 in (null):D-9999 (7) and NH2(77) at 11.9415 24.9082 59.6886 in (null):R-9999 (10) Number of specific fragments= 15 total=616 Number of alignments=52 # 1ejrC read from T0147_twice.t2k-2track-undertaker.a2m # found chain 1ejrC in template set T0147_twice 111 :ATNTQAMIATIASGNVHI 1ejrC 1174 :PWYISRMLQAADSLPVNI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0147_twice 130 :SHPGNPK 1ejrC 1192 :GLLGKGN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues self-bump: 1.38237 Ang N(37) at 62.48 100.277 61.398 in (null):P-9999 (6) and CD(41) at 62.6903 100.366 62.7614 in (null):P-9999 (6) T0147_twice 141 :VKAVAEAAAKHQVA 1ejrC 1202 :PDALREQVAAGVIG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:3.13599 Ang CG(81) at 60.3547 93.7327 64.9712 in (null):Q-9999 (12) and C(98) at 59.01 96.429 65.841 in (null):A-9999 (14) other bump:2.93746 Ang CD(82) at 61.1299 94.9347 64.462 in (null):Q-9999 (12) and C(98) at 59.01 96.429 65.841 in (null):A-9999 (14) other bump:2.10221 Ang CG(81) at 60.3547 93.7327 64.9712 in (null):Q-9999 (12) and O(97) at 59.932 95.749 65.39 in (null):A-9999 (14) other bump:1.72026 Ang CD(82) at 61.1299 94.9347 64.462 in (null):Q-9999 (12) and O(97) at 59.932 95.749 65.39 in (null):A-9999 (14) other bump:2.98217 Ang CG(81) at 60.3547 93.7327 64.9712 in (null):Q-9999 (12) and N(94) at 58.207 94.405 66.928 in (null):A-9999 (14) neighbor-bump: 2.41975 Ang C(67) at 61.227 86.93 61.843 in (null):K-9999 (10) and CD2(72) at 61.9493 84.7544 62.6177 in (null):H-9999 (11) neighbor-bump: 1.36008 Ang O(66) at 61.974 86.086 62.342 in (null):K-9999 (10) and CD2(72) at 61.9493 84.7544 62.6177 in (null):H-9999 (11) neighbor-bump: 2.60844 Ang C(67) at 61.227 86.93 61.843 in (null):K-9999 (10) and CG(71) at 61.9683 85.3904 63.8138 in (null):H-9999 (11) neighbor-bump: 1.6279 Ang O(66) at 61.974 86.086 62.342 in (null):K-9999 (10) and CG(71) at 61.9683 85.3904 63.8138 in (null):H-9999 (11) neighbor-bump: 2.43506 Ang C(67) at 61.227 86.93 61.843 in (null):K-9999 (10) and CB(70) at 61.9807 86.8716 64.1577 in (null):H-9999 (11) neighbor-bump: 1.97839 Ang O(66) at 61.974 86.086 62.342 in (null):K-9999 (10) and CB(70) at 61.9807 86.8716 64.1577 in (null):H-9999 (11) T0147_twice 158 :NNSS 1ejrC 1219 :HEAW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 167 :KGSEDNCREVAAAVRDAGGWVALGSDSHTAFTMG 1ejrC 1223 :GATPAAIDCALTVADEMDIQVALHSDTLNESGFV Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.17885 Ang OE2(27) at 57.5888 115.772 58.92 in (null):E-9999 (4) and CG2(227) at 57.7071 117.169 60.588 in (null):T-9999 (32) other bump:3.00359 Ang OD2(182) at 63.075 115.856 60.749 in (null):D-9999 (26) and CD1(217) at 63.6102 115.182 57.8713 in (null):F-9999 (31) neighbor-bump: 1.84078 Ang O(199) at 65.812 120.537 62.553 in (null):H-9999 (28) and OG1(205) at 64.6085 121.562 63.4961 in (null):T-9999 (29) neighbor-bump: 2.31135 Ang C(200) at 65.555 119.483 63.144 in (null):H-9999 (28) and OG1(205) at 64.6085 121.562 63.4961 in (null):T-9999 (29) other bump:2.15642 Ang CZ3(143) at 58.5625 100.536 70.3936 in (null):W-9999 (20) and CB(156) at 59.855 102.074 69.609 in (null):A-9999 (22) other bump:2.22573 Ang CH2(144) at 58.2902 101.692 71.1451 in (null):W-9999 (20) and CB(156) at 59.855 102.074 69.609 in (null):A-9999 (22) other bump:2.7413 Ang CZ3(143) at 58.5625 100.536 70.3936 in (null):W-9999 (20) and CA(155) at 58.737 102.872 68.969 in (null):A-9999 (22) other bump:2.51533 Ang CH2(144) at 58.2902 101.692 71.1451 in (null):W-9999 (20) and CA(155) at 58.737 102.872 68.969 in (null):A-9999 (22) other bump:2.89472 Ang CZ3(143) at 58.5625 100.536 70.3936 in (null):W-9999 (20) and N(154) at 58.036 102.058 67.988 in (null):A-9999 (22) other bump:3.18837 Ang CH2(144) at 58.2902 101.692 71.1451 in (null):W-9999 (20) and N(154) at 58.036 102.058 67.988 in (null):A-9999 (22) neighbor-bump: 3.26331 Ang CE3(140) at 57.5537 99.6278 70.0805 in (null):W-9999 (20) and C(153) at 56.713 101.956 67.954 in (null):V-9999 (21) neighbor-bump: 2.83515 Ang CE2(139) at 56.0097 101.065 71.2681 in (null):W-9999 (20) and O(152) at 55.973 102.461 68.801 in (null):V-9999 (21) other bump:2.20948 Ang CG1(97) at 51.9861 98.7583 64.7456 in (null):V-9999 (14) and O(131) at 52.441 97.23 66.275 in (null):G-9999 (19) other bump:2.25753 Ang O(87) at 49.83 98.836 58.62 in (null):A-9999 (12) and OD2(117) at 49.1716 97.2543 57.1499 in (null):D-9999 (16) T0147_twice 217 :ERILNVSPRRLLNFLESRG 1ejrC 1257 :EDTLAAIGGRTIHTFHTEG Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:3.06845 Ang CD1(116) at 58.7239 110.37 72.8835 in (null):F-9999 (14) and CA(141) at 59.531 111.724 75.516 in (null):S-9999 (17) other bump:2.95025 Ang CE1(118) at 59.5749 111.457 72.5782 in (null):F-9999 (14) and CA(141) at 59.531 111.724 75.516 in (null):S-9999 (17) other bump:2.54419 Ang CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) and NH2(85) at 50.095 107.056 59.749 in (null):R-9999 (10) other bump:2.98544 Ang CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) and NE(82) at 48.79 105.906 61.249 in (null):R-9999 (10) neighbor-bump: 2.2916 Ang O(57) at 49.177 108.145 63.028 in (null):S-9999 (7) and CD(63) at 49.9681 110.037 62.0054 in (null):P-9999 (8) self-bump: 1.30297 Ang N(59) at 48.936 110.367 62.729 in (null):P-9999 (8) and CD(63) at 49.9681 110.037 62.0054 in (null):P-9999 (8) other bump:1.98134 Ang O(51) at 50.969 109.676 60.334 in (null):V-9999 (6) and CD(63) at 49.9681 110.037 62.0054 in (null):P-9999 (8) neighbor-bump: 1.71659 Ang CA(54) at 51.16 109.494 63.115 in (null):S-9999 (7) and CD(63) at 49.9681 110.037 62.0054 in (null):P-9999 (8) neighbor-bump: 1.24773 Ang C(58) at 49.661 109.272 62.942 in (null):S-9999 (7) and CD(63) at 49.9681 110.037 62.0054 in (null):P-9999 (8) other bump:3.233 Ang CA(47) at 51.964 111.866 60.238 in (null):V-9999 (6) and CD(63) at 49.9681 110.037 62.0054 in (null):P-9999 (8) other bump:1.91345 Ang C(52) at 51.464 110.614 60.961 in (null):V-9999 (6) and CD(63) at 49.9681 110.037 62.0054 in (null):P-9999 (8) neighbor-bump: 1.74832 Ang N(53) at 51.595 110.613 62.285 in (null):S-9999 (7) and CD(63) at 49.9681 110.037 62.0054 in (null):P-9999 (8) neighbor-bump: 1.79667 Ang O(57) at 49.177 108.145 63.028 in (null):S-9999 (7) and CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) self-bump: 2.06935 Ang N(59) at 48.936 110.367 62.729 in (null):P-9999 (8) and CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) other bump:2.13309 Ang O(51) at 50.969 109.676 60.334 in (null):V-9999 (6) and CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) neighbor-bump: 2.62313 Ang CA(54) at 51.16 109.494 63.115 in (null):S-9999 (7) and CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) neighbor-bump: 1.66033 Ang C(58) at 49.661 109.272 62.942 in (null):S-9999 (7) and CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) other bump:2.82267 Ang C(52) at 51.464 110.614 60.961 in (null):V-9999 (6) and CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) neighbor-bump: 3.03249 Ang N(53) at 51.595 110.613 62.285 in (null):S-9999 (7) and CG(62) at 49.3052 108.844 61.3778 in (null):P-9999 (8) neighbor-bump: 2.52339 Ang C(58) at 49.661 109.272 62.942 in (null):S-9999 (7) and CB(61) at 47.919 109.34 61.1177 in (null):P-9999 (8) T0147_twice 281 :AITDHGPDMEDAPHHWHFINMRIWPR 1ejrC 1276 :AGGGHAPDIITACAHPNILPSSTNPT Fragment has 51 clashes (null) has 51 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.47476 Ang CB(4) at 67.691 114.802 77.41 in (null):A-9999 (1) and NH2(223) at 66.7255 116.938 78.2038 in (null):R-9999 (26) other bump:1.90123 Ang N(2) at 65.805 114.945 75.836 in (null):A-9999 (1) and NH1(222) at 66.9311 114.815 77.3624 in (null):R-9999 (26) other bump:1.45573 Ang CA(3) at 67.265 114.854 75.946 in (null):A-9999 (1) and NH1(222) at 66.9311 114.815 77.3624 in (null):R-9999 (26) other bump:0.761547 Ang CB(4) at 67.691 114.802 77.41 in (null):A-9999 (1) and NH1(222) at 66.9311 114.815 77.3624 in (null):R-9999 (26) other bump:2.62585 Ang C(6) at 67.84 113.661 75.186 in (null):A-9999 (1) and NH1(222) at 66.9311 114.815 77.3624 in (null):R-9999 (26) other bump:2.84378 Ang N(2) at 65.805 114.945 75.836 in (null):A-9999 (1) and CZ(221) at 66.8135 115.63 78.4053 in (null):R-9999 (26) other bump:2.61791 Ang CA(3) at 67.265 114.854 75.946 in (null):A-9999 (1) and CZ(221) at 66.8135 115.63 78.4053 in (null):R-9999 (26) other bump:1.56378 Ang CB(4) at 67.691 114.802 77.41 in (null):A-9999 (1) and CZ(221) at 66.8135 115.63 78.4053 in (null):R-9999 (26) other bump:2.44134 Ang CB(4) at 67.691 114.802 77.41 in (null):A-9999 (1) and NE(220) at 66.7501 115.132 79.6385 in (null):R-9999 (26) other bump:2.90177 Ang CB(4) at 67.691 114.802 77.41 in (null):A-9999 (1) and CD(219) at 66.7905 113.707 79.9418 in (null):R-9999 (26) other bump:2.43964 Ang CB(9) at 66.6272 110.28 75.5243 in (null):I-9999 (2) and CD1(191) at 67.4695 109.107 77.491 in (null):I-9999 (23) other bump:1.38443 Ang CG1(10) at 67.1791 110.34 76.9303 in (null):I-9999 (2) and CD1(191) at 67.4695 109.107 77.491 in (null):I-9999 (23) other bump:2.6436 Ang CG2(11) at 66.6346 108.85 74.9959 in (null):I-9999 (2) and CD1(191) at 67.4695 109.107 77.491 in (null):I-9999 (23) other bump:1.55636 Ang CD1(12) at 66.2343 109.879 78.04 in (null):I-9999 (2) and CD1(191) at 67.4695 109.107 77.491 in (null):I-9999 (23) other bump:2.41515 Ang CG1(10) at 67.1791 110.34 76.9303 in (null):I-9999 (2) and CG1(189) at 66.3226 108.695 78.4781 in (null):I-9999 (23) other bump:1.26521 Ang CD1(12) at 66.2343 109.879 78.04 in (null):I-9999 (2) and CG1(189) at 66.3226 108.695 78.4781 in (null):I-9999 (23) other bump:2.7139 Ang CD1(12) at 66.2343 109.879 78.04 in (null):I-9999 (2) and CB(188) at 65.947 107.212 78.4521 in (null):I-9999 (23) other bump:2.69237 Ang CA(90) at 52.035 113.051 76.37 in (null):P-9999 (13) and ND2(163) at 53.1335 110.668 75.7684 in (null):N-9999 (20) neighbor-bump: 2.6456 Ang NE2(137) at 48.9129 110.629 68.3966 in (null):H-9999 (17) and CZ(148) at 51.4315 111.353 68.7607 in (null):F-9999 (18) neighbor-bump: 2.8999 Ang NE2(137) at 48.9129 110.629 68.3966 in (null):H-9999 (17) and CE2(147) at 50.9561 112.074 69.8621 in (null):F-9999 (18) other bump:2.932 Ang CB(108) at 48.325 112.662 71.741 in (null):H-9999 (15) and CD2(145) at 50.9241 111.442 71.1464 in (null):F-9999 (18) neighbor-bump: 2.47073 Ang CA(85) at 53.295 114.252 72.96 in (null):A-9999 (12) and CD(93) at 53.9797 114.17 75.3325 in (null):P-9999 (13) neighbor-bump: 2.13098 Ang C(88) at 52.433 113.548 74.005 in (null):A-9999 (12) and CD(93) at 53.9797 114.17 75.3325 in (null):P-9999 (13) self-bump: 1.29231 Ang N(89) at 52.776 113.702 75.283 in (null):P-9999 (13) and CD(93) at 53.9797 114.17 75.3325 in (null):P-9999 (13) other bump:2.32168 Ang O(74) at 55.152 116.005 76.137 in (null):E-9999 (10) and CD(93) at 53.9797 114.17 75.3325 in (null):P-9999 (13) other bump:2.86591 Ang C(83) at 53.214 116.511 73.868 in (null):D-9999 (11) and CD(93) at 53.9797 114.17 75.3325 in (null):P-9999 (13) neighbor-bump: 2.29885 Ang N(84) at 53.927 115.475 73.441 in (null):A-9999 (12) and CD(93) at 53.9797 114.17 75.3325 in (null):P-9999 (13) other bump:3.13107 Ang C(75) at 55.9 116.642 75.39 in (null):E-9999 (10) and CD(93) at 53.9797 114.17 75.3325 in (null):P-9999 (13) self-bump: 2.16454 Ang N(89) at 52.776 113.702 75.283 in (null):P-9999 (13) and CG(92) at 54.3992 113.706 76.715 in (null):P-9999 (13) other bump:2.48748 Ang O(74) at 55.152 116.005 76.137 in (null):E-9999 (10) and CG(92) at 54.3992 113.706 76.715 in (null):P-9999 (13) other bump:1.77046 Ang CA(23) at 63.232 114.115 69.614 in (null):D-9999 (4) and CE(64) at 62.6357 114.594 71.2108 in (null):M-9999 (9) other bump:1.25777 Ang CB(24) at 62.2264 113.585 70.5814 in (null):D-9999 (4) and CE(64) at 62.6357 114.594 71.2108 in (null):M-9999 (9) other bump:1.02837 Ang CG(25) at 62.5518 113.959 72.0153 in (null):D-9999 (4) and CE(64) at 62.6357 114.594 71.2108 in (null):M-9999 (9) other bump:1.3081 Ang OD1(26) at 63.3805 114.877 72.2484 in (null):D-9999 (4) and CE(64) at 62.6357 114.594 71.2108 in (null):M-9999 (9) other bump:2.24609 Ang OD2(27) at 61.9982 113.301 72.9335 in (null):D-9999 (4) and CE(64) at 62.6357 114.594 71.2108 in (null):M-9999 (9) other bump:2.24533 Ang C(29) at 63.183 115.589 69.274 in (null):D-9999 (4) and CE(64) at 62.6357 114.594 71.2108 in (null):M-9999 (9) other bump:2.78514 Ang C(21) at 64.801 112.861 70.953 in (null):T-9999 (3) and CE(64) at 62.6357 114.594 71.2108 in (null):M-9999 (9) other bump:2.49714 Ang N(22) at 64.578 113.681 69.934 in (null):D-9999 (4) and CE(64) at 62.6357 114.594 71.2108 in (null):M-9999 (9) other bump:2.74362 Ang O(20) at 63.897 112.394 71.651 in (null):T-9999 (3) and SD(63) at 61.3602 113.439 71.6621 in (null):M-9999 (9) other bump:2.85578 Ang CA(23) at 63.232 114.115 69.614 in (null):D-9999 (4) and SD(63) at 61.3602 113.439 71.6621 in (null):M-9999 (9) other bump:1.39263 Ang CB(24) at 62.2264 113.585 70.5814 in (null):D-9999 (4) and SD(63) at 61.3602 113.439 71.6621 in (null):M-9999 (9) other bump:1.34702 Ang CG(25) at 62.5518 113.959 72.0153 in (null):D-9999 (4) and SD(63) at 61.3602 113.439 71.6621 in (null):M-9999 (9) other bump:2.5479 Ang OD1(26) at 63.3805 114.877 72.2484 in (null):D-9999 (4) and SD(63) at 61.3602 113.439 71.6621 in (null):M-9999 (9) other bump:1.42914 Ang OD2(27) at 61.9982 113.301 72.9335 in (null):D-9999 (4) and SD(63) at 61.3602 113.439 71.6621 in (null):M-9999 (9) other bump:2.59271 Ang CB(24) at 62.2264 113.585 70.5814 in (null):D-9999 (4) and CG(62) at 59.8523 114.365 71.2722 in (null):M-9999 (9) other bump:2.82917 Ang CG(25) at 62.5518 113.959 72.0153 in (null):D-9999 (4) and CG(62) at 59.8523 114.365 71.2722 in (null):M-9999 (9) neighbor-bump: 2.09526 Ang O(20) at 63.897 112.394 71.651 in (null):T-9999 (3) and CG(25) at 62.5518 113.959 72.0153 in (null):D-9999 (4) neighbor-bump: 2.71883 Ang C(21) at 64.801 112.861 70.953 in (null):T-9999 (3) and CG(25) at 62.5518 113.959 72.0153 in (null):D-9999 (4) neighbor-bump: 2.31353 Ang O(20) at 63.897 112.394 71.651 in (null):T-9999 (3) and CB(24) at 62.2264 113.585 70.5814 in (null):D-9999 (4) neighbor-bump: 2.15551 Ang O(13) at 67.553 110.348 72.368 in (null):I-9999 (2) and CG2(18) at 68.1644 111.001 70.4068 in (null):T-9999 (3) neighbor-bump: 2.83044 Ang C(14) at 67.256 111.324 73.068 in (null):I-9999 (2) and CG2(18) at 68.1644 111.001 70.4068 in (null):T-9999 (3) T0147_twice 379 :NPKYEIDVKAVAEAA 1ejrC 1302 :LPYTLNTIDEHLDML Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.53564 Ang O(61) at 73.451 116.063 83.212 in (null):D-9999 (7) and CG2(88) at 72.5837 115.134 81.0178 in (null):V-9999 (11) other bump:2.85163 Ang CA(18) at 66.903 115.78 88.185 in (null):K-9999 (3) and OD2(60) at 69.4125 115.167 86.9772 in (null):D-9999 (7) other bump:2.32984 Ang N(26) at 69.156 116.023 89.129 in (null):Y-9999 (4) and OD2(60) at 69.4125 115.167 86.9772 in (null):D-9999 (7) other bump:3.03254 Ang N(26) at 69.156 116.023 89.129 in (null):Y-9999 (4) and CG(58) at 70.6148 115.043 86.6577 in (null):D-9999 (7) other bump:2.62753 Ang CD(14) at 66.888 110.511 89.984 in (null):P-9999 (2) and CE1(32) at 68.971 111.867 90.8371 in (null):Y-9999 (4) other bump:2.53656 Ang CG(13) at 66.441 111.684 90.849 in (null):P-9999 (2) and CE1(32) at 68.971 111.867 90.8371 in (null):Y-9999 (4) other bump:2.63126 Ang O(15) at 67.858 113.167 88.147 in (null):P-9999 (2) and CD1(30) at 69.5161 112.966 90.1802 in (null):Y-9999 (4) T0147_twice 409 :HSRKGSEDNCREVAAAVRDAGGWVALGSDSHTAFTMGE 1ejrC 1332 :FAESRIRRETIAAEDVLHDLGAFSLTSSDSQAMGRVGE Fragment has 81 clashes (null) has 81 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:1.46371 Ang OG(201) at 67.912 100.356 79.358 in (null):S-9999 (28) and CE(263) at 69.3085 100.059 79.0353 in (null):M-9999 (36) other bump:2.3569 Ang N(212) at 69.878 101.444 77.215 in (null):S-9999 (30) and CE(263) at 69.3085 100.059 79.0353 in (null):M-9999 (36) other bump:2.24654 Ang CE2(247) at 69.5546 101.42 77.2649 in (null):F-9999 (34) and CE(263) at 69.3085 100.059 79.0353 in (null):M-9999 (36) other bump:2.35394 Ang CB(200) at 67.856 101.192 80.501 in (null):S-9999 (28) and CE(263) at 69.3085 100.059 79.0353 in (null):M-9999 (36) other bump:2.45206 Ang CD2(245) at 69.4488 102.385 78.2713 in (null):F-9999 (34) and CE(263) at 69.3085 100.059 79.0353 in (null):M-9999 (36) other bump:2.50827 Ang CA(213) at 71.154 100.801 77.507 in (null):S-9999 (30) and CE(263) at 69.3085 100.059 79.0353 in (null):M-9999 (36) other bump:2.30912 Ang CB(214) at 70.953 99.289 77.609 in (null):S-9999 (30) and CE(263) at 69.3085 100.059 79.0353 in (null):M-9999 (36) other bump:2.82057 Ang OG(201) at 67.912 100.356 79.358 in (null):S-9999 (28) and SD(262) at 69.9147 98.4774 78.7134 in (null):M-9999 (36) other bump:2.89665 Ang CA(213) at 71.154 100.801 77.507 in (null):S-9999 (30) and SD(262) at 69.9147 98.4774 78.7134 in (null):M-9999 (36) other bump:1.71947 Ang CB(214) at 70.953 99.289 77.609 in (null):S-9999 (30) and SD(262) at 69.9147 98.4774 78.7134 in (null):M-9999 (36) other bump:2.26782 Ang OG(215) at 70.246 98.784 76.491 in (null):S-9999 (30) and SD(262) at 69.9147 98.4774 78.7134 in (null):M-9999 (36) other bump:3.17586 Ang CA(213) at 71.154 100.801 77.507 in (null):S-9999 (30) and CG(261) at 71.5272 98.4304 79.5871 in (null):M-9999 (36) other bump:2.23156 Ang CB(214) at 70.953 99.289 77.609 in (null):S-9999 (30) and CG(261) at 71.5272 98.4304 79.5871 in (null):M-9999 (36) other bump:1.296 Ang N(212) at 69.878 101.444 77.215 in (null):S-9999 (30) and CZ(248) at 69.8925 101.803 75.9698 in (null):F-9999 (34) other bump:2.24711 Ang CA(205) at 68.275 103.175 76.712 in (null):D-9999 (29) and CZ(248) at 69.8925 101.803 75.9698 in (null):F-9999 (34) other bump:1.3272 Ang C(211) at 69.732 102.732 76.904 in (null):D-9999 (29) and CZ(248) at 69.8925 101.803 75.9698 in (null):F-9999 (34) other bump:2.22674 Ang CA(213) at 71.154 100.801 77.507 in (null):S-9999 (30) and CZ(248) at 69.8925 101.803 75.9698 in (null):F-9999 (34) other bump:2.65534 Ang C(217) at 72.37 101.124 76.642 in (null):S-9999 (30) and CZ(248) at 69.8925 101.803 75.9698 in (null):F-9999 (34) other bump:2.04845 Ang O(210) at 70.677 103.515 76.776 in (null):D-9999 (29) and CZ(248) at 69.8925 101.803 75.9698 in (null):F-9999 (34) other bump:2.86562 Ang OG(201) at 67.912 100.356 79.358 in (null):S-9999 (28) and CE2(247) at 69.5546 101.42 77.2649 in (null):F-9999 (34) other bump:0.328106 Ang N(212) at 69.878 101.444 77.215 in (null):S-9999 (30) and CE2(247) at 69.5546 101.42 77.2649 in (null):F-9999 (34) other bump:2.36041 Ang N(204) at 67.644 102.637 77.929 in (null):D-9999 (29) and CE2(247) at 69.5546 101.42 77.2649 in (null):F-9999 (34) other bump:2.24096 Ang CA(205) at 68.275 103.175 76.712 in (null):D-9999 (29) and CE2(247) at 69.5546 101.42 77.2649 in (null):F-9999 (34) other bump:1.37194 Ang C(211) at 69.732 102.732 76.904 in (null):D-9999 (29) and CE2(247) at 69.5546 101.42 77.2649 in (null):F-9999 (34) other bump:1.73214 Ang CA(213) at 71.154 100.801 77.507 in (null):S-9999 (30) and CE2(247) at 69.5546 101.42 77.2649 in (null):F-9999 (34) other bump:2.57227 Ang CB(214) at 70.953 99.289 77.609 in (null):S-9999 (30) and CE2(247) at 69.5546 101.42 77.2649 in (null):F-9999 (34) other bump:2.83326 Ang OG(215) at 70.246 98.784 76.491 in (null):S-9999 (30) and CE2(247) at 69.5546 101.42 77.2649 in (null):F-9999 (34) other bump:2.8987 Ang C(217) at 72.37 101.124 76.642 in (null):S-9999 (30) and CE2(247) at 69.5546 101.42 77.2649 in (null):F-9999 (34) other bump:2.42621 Ang O(210) at 70.677 103.515 76.776 in (null):D-9999 (29) and CE2(247) at 69.5546 101.42 77.2649 in (null):F-9999 (34) other bump:2.30112 Ang N(212) at 69.878 101.444 77.215 in (null):S-9999 (30) and CE1(246) at 70.1187 103.142 75.6805 in (null):F-9999 (34) other bump:2.7126 Ang CG(207) at 68.471 105.247 75.221 in (null):D-9999 (29) and CE1(246) at 70.1187 103.142 75.6805 in (null):F-9999 (34) other bump:2.28539 Ang OD1(208) at 68.835 104.46 74.325 in (null):D-9999 (29) and CE1(246) at 70.1187 103.142 75.6805 in (null):F-9999 (34) other bump:2.11295 Ang CA(205) at 68.275 103.175 76.712 in (null):D-9999 (29) and CE1(246) at 70.1187 103.142 75.6805 in (null):F-9999 (34) other bump:2.67196 Ang CB(206) at 68.168 104.708 76.619 in (null):D-9999 (29) and CE1(246) at 70.1187 103.142 75.6805 in (null):F-9999 (34) other bump:1.34705 Ang C(211) at 69.732 102.732 76.904 in (null):D-9999 (29) and CE1(246) at 70.1187 103.142 75.6805 in (null):F-9999 (34) other bump:3.1724 Ang C(217) at 72.37 101.124 76.642 in (null):S-9999 (30) and CE1(246) at 70.1187 103.142 75.6805 in (null):F-9999 (34) other bump:1.28499 Ang O(210) at 70.677 103.515 76.776 in (null):D-9999 (29) and CE1(246) at 70.1187 103.142 75.6805 in (null):F-9999 (34) other bump:1.47846 Ang N(212) at 69.878 101.444 77.215 in (null):S-9999 (30) and CD2(245) at 69.4488 102.385 78.2713 in (null):F-9999 (34) other bump:2.98864 Ang CB(200) at 67.856 101.192 80.501 in (null):S-9999 (28) and CD2(245) at 69.4488 102.385 78.2713 in (null):F-9999 (34) other bump:2.1981 Ang C(203) at 67.612 103.244 79.12 in (null):S-9999 (28) and CD2(245) at 69.4488 102.385 78.2713 in (null):F-9999 (34) other bump:1.85414 Ang N(204) at 67.644 102.637 77.929 in (null):D-9999 (29) and CD2(245) at 69.4488 102.385 78.2713 in (null):F-9999 (34) other bump:2.10549 Ang CA(205) at 68.275 103.175 76.712 in (null):D-9999 (29) and CD2(245) at 69.4488 102.385 78.2713 in (null):F-9999 (34) other bump:3.12509 Ang CB(206) at 68.168 104.708 76.619 in (null):D-9999 (29) and CD2(245) at 69.4488 102.385 78.2713 in (null):F-9999 (34) other bump:1.43878 Ang C(211) at 69.732 102.732 76.904 in (null):D-9999 (29) and CD2(245) at 69.4488 102.385 78.2713 in (null):F-9999 (34) other bump:3.14885 Ang CA(199) at 67.004 102.443 80.255 in (null):S-9999 (28) and CD2(245) at 69.4488 102.385 78.2713 in (null):F-9999 (34) other bump:2.4498 Ang CA(213) at 71.154 100.801 77.507 in (null):S-9999 (30) and CD2(245) at 69.4488 102.385 78.2713 in (null):F-9999 (34) other bump:2.24078 Ang O(210) at 70.677 103.515 76.776 in (null):D-9999 (29) and CD2(245) at 69.4488 102.385 78.2713 in (null):F-9999 (34) other bump:2.71137 Ang N(212) at 69.878 101.444 77.215 in (null):S-9999 (30) and CD1(244) at 70.0119 104.101 76.6929 in (null):F-9999 (34) other bump:2.41944 Ang CG(207) at 68.471 105.247 75.221 in (null):D-9999 (29) and CD1(244) at 70.0119 104.101 76.6929 in (null):F-9999 (34) other bump:2.66848 Ang OD1(208) at 68.835 104.46 74.325 in (null):D-9999 (29) and CD1(244) at 70.0119 104.101 76.6929 in (null):F-9999 (34) other bump:1.96857 Ang CA(205) at 68.275 103.175 76.712 in (null):D-9999 (29) and CD1(244) at 70.0119 104.101 76.6929 in (null):F-9999 (34) other bump:1.94261 Ang CB(206) at 68.168 104.708 76.619 in (null):D-9999 (29) and CD1(244) at 70.0119 104.101 76.6929 in (null):F-9999 (34) other bump:1.41343 Ang C(211) at 69.732 102.732 76.904 in (null):D-9999 (29) and CD1(244) at 70.0119 104.101 76.6929 in (null):F-9999 (34) other bump:0.890446 Ang O(210) at 70.677 103.515 76.776 in (null):D-9999 (29) and CD1(244) at 70.0119 104.101 76.6929 in (null):F-9999 (34) other bump:2.42204 Ang N(212) at 69.878 101.444 77.215 in (null):S-9999 (30) and CG(243) at 69.6783 103.729 77.9932 in (null):F-9999 (34) other bump:2.23417 Ang O(202) at 68.012 104.385 79.329 in (null):S-9999 (28) and CG(243) at 69.6783 103.729 77.9932 in (null):F-9999 (34) other bump:2.40304 Ang C(203) at 67.612 103.244 79.12 in (null):S-9999 (28) and CG(243) at 69.6783 103.729 77.9932 in (null):F-9999 (34) other bump:2.30975 Ang N(204) at 67.644 102.637 77.929 in (null):D-9999 (29) and CG(243) at 69.6783 103.729 77.9932 in (null):F-9999 (34) other bump:1.97931 Ang CA(205) at 68.275 103.175 76.712 in (null):D-9999 (29) and CG(243) at 69.6783 103.729 77.9932 in (null):F-9999 (34) other bump:2.26454 Ang CB(206) at 68.168 104.708 76.619 in (null):D-9999 (29) and CG(243) at 69.6783 103.729 77.9932 in (null):F-9999 (34) other bump:1.47752 Ang C(211) at 69.732 102.732 76.904 in (null):D-9999 (29) and CG(243) at 69.6783 103.729 77.9932 in (null):F-9999 (34) other bump:1.58891 Ang O(210) at 70.677 103.515 76.776 in (null):D-9999 (29) and CG(243) at 69.6783 103.729 77.9932 in (null):F-9999 (34) other bump:1.65366 Ang O(202) at 68.012 104.385 79.329 in (null):S-9999 (28) and CB(242) at 69.6067 104.749 79.0853 in (null):F-9999 (34) other bump:2.49876 Ang C(203) at 67.612 103.244 79.12 in (null):S-9999 (28) and CB(242) at 69.6067 104.749 79.0853 in (null):F-9999 (34) other bump:3.10614 Ang N(204) at 67.644 102.637 77.929 in (null):D-9999 (29) and CB(242) at 69.6067 104.749 79.0853 in (null):F-9999 (34) other bump:3.14361 Ang CA(205) at 68.275 103.175 76.712 in (null):D-9999 (29) and CB(242) at 69.6067 104.749 79.0853 in (null):F-9999 (34) other bump:2.85555 Ang CB(206) at 68.168 104.708 76.619 in (null):D-9999 (29) and CB(242) at 69.6067 104.749 79.0853 in (null):F-9999 (34) other bump:2.97332 Ang C(211) at 69.732 102.732 76.904 in (null):D-9999 (29) and CB(242) at 69.6067 104.749 79.0853 in (null):F-9999 (34) other bump:3.03306 Ang CA(107) at 59.71 115.348 83.482 in (null):A-9999 (14) and CH2(171) at 60.2547 112.982 81.6647 in (null):W-9999 (23) other bump:2.2293 Ang CB(108) at 60.947 114.774 82.795 in (null):A-9999 (14) and CH2(171) at 60.2547 112.982 81.6647 in (null):W-9999 (23) other bump:2.49924 Ang NE(133) at 60.012 109.817 83.9117 in (null):R-9999 (18) and CZ3(170) at 60.0823 111.897 82.5287 in (null):W-9999 (23) other bump:2.84162 Ang CZ(134) at 61.3272 109.719 83.8623 in (null):R-9999 (18) and CZ3(170) at 60.0823 111.897 82.5287 in (null):W-9999 (23) other bump:3.01544 Ang CB(108) at 60.947 114.774 82.795 in (null):A-9999 (14) and CZ3(170) at 60.0823 111.897 82.5287 in (null):W-9999 (23) other bump:2.80925 Ang NH2(136) at 61.9494 109.805 82.6914 in (null):R-9999 (18) and CZ3(170) at 60.0823 111.897 82.5287 in (null):W-9999 (23) other bump:2.91479 Ang CB(108) at 60.947 114.774 82.795 in (null):A-9999 (14) and CZ2(169) at 59.2201 113.431 80.8689 in (null):W-9999 (23) other bump:3.07155 Ang CG1(124) at 54.8273 113.991 82.3936 in (null):V-9999 (17) and NE1(168) at 56.8453 113.009 80.2961 in (null):W-9999 (23) other bump:2.24486 Ang NE(133) at 60.012 109.817 83.9117 in (null):R-9999 (18) and CE3(167) at 58.8659 111.245 82.6127 in (null):W-9999 (23) other bump:3.15403 Ang CZ(134) at 61.3272 109.719 83.8623 in (null):R-9999 (18) and CE3(167) at 58.8659 111.245 82.6127 in (null):W-9999 (23) other bump:2.84215 Ang CG(131) at 57.8452 110.122 85.0159 in (null):R-9999 (18) and CE3(167) at 58.8659 111.245 82.6127 in (null):W-9999 (23) other bump:3.00305 Ang CD(132) at 59.298 109.769 85.192 in (null):R-9999 (18) and CE3(167) at 58.8659 111.245 82.6127 in (null):W-9999 (23) other bump:2.72591 Ang CG1(124) at 54.8273 113.991 82.3936 in (null):V-9999 (17) and CD1(164) at 55.9114 112.154 80.6957 in (null):W-9999 (23) T0147_twice 447 :FEECLKILDAVDFPPERILNVSPRRLLNFLESRG 1ejrC 1375 :WQVAHRMKVQRGALAEETGDNDNFRVKRYIAKYT Fragment has 51 clashes (null) has 51 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.37066 Ang SG(34) at 58.4143 106.49 92.3446 in (null):C-9999 (4) and CZ(241) at 56.83 108.971 90.702 in (null):F-9999 (29) other bump:2.82093 Ang SG(34) at 58.4143 106.49 92.3446 in (null):C-9999 (4) and CE2(240) at 57.802 108.155 90.151 in (null):F-9999 (29) other bump:2.21609 Ang SG(34) at 58.4143 106.49 92.3446 in (null):C-9999 (4) and CD2(238) at 57.683 106.774 90.272 in (null):F-9999 (29) other bump:2.31315 Ang SG(34) at 58.4143 106.49 92.3446 in (null):C-9999 (4) and CG(236) at 56.603 106.198 90.936 in (null):F-9999 (29) other bump:2.05723 Ang OE2(129) at 45.653 110.808 90.797 in (null):E-9999 (16) and NH2(195) at 45.7241 108.841 91.3941 in (null):R-9999 (24) other bump:2.68682 Ang CB(125) at 45.086 109.091 93.992 in (null):E-9999 (16) and NH2(195) at 45.7241 108.841 91.3941 in (null):R-9999 (24) other bump:1.84465 Ang CG(126) at 44.667 109.685 92.648 in (null):E-9999 (16) and NH2(195) at 45.7241 108.841 91.3941 in (null):R-9999 (24) other bump:1.86313 Ang CD(127) at 45.716 110.594 92.024 in (null):E-9999 (16) and NH2(195) at 45.7241 108.841 91.3941 in (null):R-9999 (24) other bump:2.34174 Ang CD(127) at 45.716 110.594 92.024 in (null):E-9999 (16) and NH1(194) at 47.5142 109.287 92.7599 in (null):R-9999 (24) other bump:2.01366 Ang OE1(128) at 46.608 111.085 92.745 in (null):E-9999 (16) and NH1(194) at 47.5142 109.287 92.7599 in (null):R-9999 (24) other bump:1.98868 Ang CB(125) at 45.086 109.091 93.992 in (null):E-9999 (16) and CZ(193) at 46.368 108.651 92.5369 in (null):R-9999 (24) other bump:1.99392 Ang CG(126) at 44.667 109.685 92.648 in (null):E-9999 (16) and CZ(193) at 46.368 108.651 92.5369 in (null):R-9999 (24) other bump:2.11308 Ang CD(127) at 45.716 110.594 92.024 in (null):E-9999 (16) and CZ(193) at 46.368 108.651 92.5369 in (null):R-9999 (24) other bump:2.45511 Ang OE1(128) at 46.608 111.085 92.745 in (null):E-9999 (16) and CZ(193) at 46.368 108.651 92.5369 in (null):R-9999 (24) other bump:1.60938 Ang CB(125) at 45.086 109.091 93.992 in (null):E-9999 (16) and NE(192) at 45.8771 107.804 93.4378 in (null):R-9999 (24) other bump:2.37219 Ang CG(126) at 44.667 109.685 92.648 in (null):E-9999 (16) and NE(192) at 45.8771 107.804 93.4378 in (null):R-9999 (24) other bump:3.07295 Ang CA(124) at 44.728 109.932 95.222 in (null):E-9999 (16) and CD(191) at 46.519 107.488 94.7103 in (null):R-9999 (24) other bump:2.26699 Ang CB(125) at 45.086 109.091 93.992 in (null):E-9999 (16) and CD(191) at 46.519 107.488 94.7103 in (null):R-9999 (24) other bump:2.80435 Ang C(131) at 45.097 109.146 96.469 in (null):E-9999 (16) and CD(191) at 46.519 107.488 94.7103 in (null):R-9999 (24) other bump:2.82994 Ang CB(169) at 50.7978 104.594 103.735 in (null):V-9999 (21) and CD(184) at 50.5203 104.479 100.921 in (null):P-9999 (23) other bump:2.29576 Ang CG2(171) at 49.4744 104.491 102.965 in (null):V-9999 (21) and CD(184) at 50.5203 104.479 100.921 in (null):P-9999 (23) other bump:2.65365 Ang C(173) at 51.467 106.539 102.3 in (null):V-9999 (21) and CD(184) at 50.5203 104.479 100.921 in (null):P-9999 (23) neighbor-bump: 2.45529 Ang N(174) at 52.39 105.936 101.561 in (null):S-9999 (22) and CD(184) at 50.5203 104.479 100.921 in (null):P-9999 (23) other bump:2.39261 Ang CG2(171) at 49.4744 104.491 102.965 in (null):V-9999 (21) and CG(183) at 49.8992 103.102 101.064 in (null):P-9999 (23) other bump:2.68407 Ang CD(136) at 49.9356 109.395 100.233 in (null):R-9999 (17) and O(172) at 50.703 107.392 101.847 in (null):V-9999 (21) neighbor-bump: 2.34633 Ang CB(153) at 45.832 106.42 105.955 in (null):L-9999 (19) and N(159) at 47.93 107.468 106.022 in (null):N-9999 (20) self-bump: 2.15485 Ang CB(153) at 45.832 106.42 105.955 in (null):L-9999 (19) and C(158) at 47.227 107.694 104.919 in (null):L-9999 (19) self-bump: 1.27505 Ang CA(152) at 45.885 107.006 104.824 in (null):L-9999 (19) and CB(153) at 45.832 106.42 105.955 in (null):L-9999 (19) other bump:1.16407 Ang CD2(103) at 50.6956 111.555 101.989 in (null):F-9999 (13) and NH2(140) at 50.2062 112.611 102.007 in (null):R-9999 (17) other bump:2.08849 Ang CE2(105) at 51.1628 111.247 103.267 in (null):F-9999 (13) and NH2(140) at 50.2062 112.611 102.007 in (null):R-9999 (17) other bump:1.90551 Ang CB(100) at 50.0761 113.204 100.201 in (null):F-9999 (13) and NH2(140) at 50.2062 112.611 102.007 in (null):R-9999 (17) other bump:0.676434 Ang CG(101) at 50.62 112.882 101.546 in (null):F-9999 (13) and NH2(140) at 50.2062 112.611 102.007 in (null):R-9999 (17) other bump:1.58084 Ang CD1(102) at 51.0266 113.903 102.403 in (null):F-9999 (13) and NH2(140) at 50.2062 112.611 102.007 in (null):R-9999 (17) other bump:2.34332 Ang CE1(104) at 51.4993 113.618 103.682 in (null):F-9999 (13) and NH2(140) at 50.2062 112.611 102.007 in (null):R-9999 (17) other bump:2.52651 Ang CZ(106) at 51.5705 112.284 104.108 in (null):F-9999 (13) and NH2(140) at 50.2062 112.611 102.007 in (null):R-9999 (17) other bump:1.61039 Ang CD2(103) at 50.6956 111.555 101.989 in (null):F-9999 (13) and NH1(139) at 49.803 110.506 102.824 in (null):R-9999 (17) other bump:1.61044 Ang CE2(105) at 51.1628 111.247 103.267 in (null):F-9999 (13) and NH1(139) at 49.803 110.506 102.824 in (null):R-9999 (17) other bump:2.81703 Ang CZ(106) at 51.5705 112.284 104.108 in (null):F-9999 (13) and NH1(139) at 49.803 110.506 102.824 in (null):R-9999 (17) other bump:0.755877 Ang CD2(103) at 50.6956 111.555 101.989 in (null):F-9999 (13) and CZ(138) at 50.0083 111.312 101.789 in (null):R-9999 (17) other bump:1.87634 Ang CE2(105) at 51.1628 111.247 103.267 in (null):F-9999 (13) and CZ(138) at 50.0083 111.312 101.789 in (null):R-9999 (17) other bump:2.47053 Ang CB(100) at 50.0761 113.204 100.201 in (null):F-9999 (13) and CZ(138) at 50.0083 111.312 101.789 in (null):R-9999 (17) other bump:1.70168 Ang CG(101) at 50.62 112.882 101.546 in (null):F-9999 (13) and CZ(138) at 50.0083 111.312 101.789 in (null):R-9999 (17) other bump:2.96069 Ang CZ(106) at 51.5705 112.284 104.108 in (null):F-9999 (13) and CZ(138) at 50.0083 111.312 101.789 in (null):R-9999 (17) other bump:1.7371 Ang CD2(103) at 50.6956 111.555 101.989 in (null):F-9999 (13) and NE(137) at 50.0681 110.814 100.549 in (null):R-9999 (17) other bump:2.96185 Ang CE2(105) at 51.1628 111.247 103.267 in (null):F-9999 (13) and NE(137) at 50.0681 110.814 100.549 in (null):R-9999 (17) other bump:2.41472 Ang CB(100) at 50.0761 113.204 100.201 in (null):F-9999 (13) and NE(137) at 50.0681 110.814 100.549 in (null):R-9999 (17) other bump:2.36059 Ang CG(101) at 50.62 112.882 101.546 in (null):F-9999 (13) and NE(137) at 50.0681 110.814 100.549 in (null):R-9999 (17) other bump:2.88585 Ang CD2(103) at 50.6956 111.555 101.989 in (null):F-9999 (13) and CD(136) at 49.9356 109.395 100.233 in (null):R-9999 (17) neighbor-bump: 2.445 Ang CB(92) at 53.7304 115.837 100.622 in (null):D-9999 (12) and N(98) at 52.08 114.415 99.512 in (null):F-9999 (13) self-bump: 2.18347 Ang CB(92) at 53.7304 115.837 100.622 in (null):D-9999 (12) and C(97) at 53.209 114.662 98.857 in (null):D-9999 (12) self-bump: 1.2761 Ang CA(91) at 54.058 115.803 99.389 in (null):D-9999 (12) and CB(92) at 53.7304 115.837 100.622 in (null):D-9999 (12) Number of specific fragments= 10 total=626 Number of alignments=53 # 1eywA read from T0147_twice.t2k-2track-undertaker.a2m # found chain 1eywA in template set T0147_twice 104 :VFAPHDK 1eywA 104 :FDIGRDV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.2595 Ang CD2(36) at 35.82 36.1523 31.6918 in (null):H-9999 (5) and CD(54) at 33.7784 36.0359 32.653 in (null):K-9999 (7) other bump:2.37554 Ang NE2(39) at 34.9329 35.2881 31.0966 in (null):H-9999 (5) and CG(53) at 32.7492 35.1278 32.0182 in (null):K-9999 (7) self-bump: 2.1781 Ang CA(26) at 40.061 41.695 30.029 in (null):P-9999 (4) and CD(29) at 41.9817 41.6784 29.0019 in (null):P-9999 (4) neighbor-bump: 1.63784 Ang O(23) at 41.484 40.473 28.011 in (null):A-9999 (3) and CD(29) at 41.9817 41.6784 29.0019 in (null):P-9999 (4) neighbor-bump: 1.3517 Ang C(24) at 41.9 40.337 29.147 in (null):A-9999 (3) and CD(29) at 41.9817 41.6784 29.0019 in (null):P-9999 (4) neighbor-bump: 2.72291 Ang C(24) at 41.9 40.337 29.147 in (null):A-9999 (3) and CG(28) at 41.8492 43.0027 29.6998 in (null):P-9999 (4) T0147_twice 115 :QAMIATIASGNVHIISHPGNPK 1eywA 111 :SLLAEVSRAADVHIVAATGLWF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues self-bump: 1.37939 Ang N(143) at 47.201 35.779 33.551 in (null):P-9999 (21) and CD(147) at 46.049 36.5289 33.6664 in (null):P-9999 (21) neighbor-bump: 2.42708 Ang CA(115) at 38.509 30.527 32.337 in (null):H-9999 (17) and CD(128) at 38.7571 29.7254 34.6144 in (null):P-9999 (18) neighbor-bump: 2.05133 Ang C(123) at 38.736 31.452 33.507 in (null):H-9999 (17) and CD(128) at 38.7571 29.7254 34.6144 in (null):P-9999 (18) other bump:2.32231 Ang CG1(47) at 29.4535 31.5947 24.2632 in (null):I-9999 (7) and CD1(97) at 31.539 32.028 23.338 in (null):I-9999 (14) other bump:3.01144 Ang CE(21) at 33.8681 33.6927 24.6049 in (null):M-9999 (3) and CG2(96) at 33.278 30.847 25.394 in (null):I-9999 (14) other bump:2.59775 Ang CG1(47) at 29.4535 31.5947 24.2632 in (null):I-9999 (7) and CG1(95) at 31.69 30.518 23.497 in (null):I-9999 (14) other bump:2.99064 Ang CD1(49) at 29.8368 31.3036 25.7088 in (null):I-9999 (7) and CG1(95) at 31.69 30.518 23.497 in (null):I-9999 (14) other bump:2.98328 Ang CG1(47) at 29.4535 31.5947 24.2632 in (null):I-9999 (7) and CB(94) at 31.977 30.157 24.945 in (null):I-9999 (14) other bump:2.54536 Ang CD1(49) at 29.8368 31.3036 25.7088 in (null):I-9999 (7) and CB(94) at 31.977 30.157 24.945 in (null):I-9999 (14) other bump:2.59925 Ang CG2(48) at 27.4627 30.0155 24.0848 in (null):I-9999 (7) and O(80) at 28.57 28.731 22.115 in (null):V-9999 (12) T0147_twice 137 :YEIDVKAVAEAAAK 1eywA 143 :VEELTQFFLREIQY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0147_twice 151 :HQVA 1eywA 164 :RAGI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.6406 Ang CG(15) at 37.5812 28.7301 35.1609 in (null):Q-9999 (2) and O(31) at 39.857 28.019 34.026 in (null):A-9999 (4) other bump:2.29757 Ang CD(16) at 38.8328 29.5586 35.3896 in (null):Q-9999 (2) and O(31) at 39.857 28.019 34.026 in (null):A-9999 (4) T0147_twice 158 :NNSS 1eywA 171 :ATTG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 1.94334 Ang O(22) at 59.535 34.932 29.536 in (null):S-9999 (3) and OG(27) at 61.3427 34.7218 28.8543 in (null):S-9999 (4) neighbor-bump: 2.66864 Ang C(23) at 58.861 33.933 29.438 in (null):S-9999 (3) and OG(27) at 61.3427 34.7218 28.8543 in (null):S-9999 (4) neighbor-bump: 2.04389 Ang O(22) at 59.535 34.932 29.536 in (null):S-9999 (3) and CB(26) at 61.2901 34.0509 30.1025 in (null):S-9999 (4) neighbor-bump: 2.52108 Ang C(23) at 58.861 33.933 29.438 in (null):S-9999 (3) and CB(26) at 61.2901 34.0509 30.1025 in (null):S-9999 (4) T0147_twice 164 :HSRKGSEDNCREVAAAVRDAGGWVAL 1eywA 175 :KATPFQELVLKAAARASLATGVPVTT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.13719 Ang CE3(167) at 43.0923 23.4759 30.5446 in (null):W-9999 (23) and CB(183) at 45.209 25.483 29.39 in (null):A-9999 (25) other bump:2.20159 Ang CZ3(170) at 43.2271 24.5698 29.6814 in (null):W-9999 (23) and CB(183) at 45.209 25.483 29.39 in (null):A-9999 (25) other bump:3.1389 Ang CH2(171) at 42.0957 25.1992 29.1086 in (null):W-9999 (23) and CB(183) at 45.209 25.483 29.39 in (null):A-9999 (25) neighbor-bump: 3.18421 Ang CE3(167) at 43.0923 23.4759 30.5446 in (null):W-9999 (23) and C(180) at 45.695 23.862 32.338 in (null):V-9999 (24) other bump:2.50039 Ang CG2(125) at 44.0792 23.1931 38.1105 in (null):V-9999 (17) and CG2(178) at 45.631 23.602 36.193 in (null):V-9999 (24) T0147_twice 194 :HTAFTMGEFEECLKILDAVDFPPERI 1eywA 201 :HTAASQRDGEQQAAIFESEGLSPSRV Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.95302 Ang CD2(103) at 54.1825 19.3689 32.873 in (null):L-9999 (13) and CD1(209) at 51.37 19.8831 33.6117 in (null):I-9999 (26) other bump:1.93672 Ang CE2(166) at 48.0865 19.4188 35.9129 in (null):F-9999 (21) and CG2(208) at 48.5442 20.709 34.5429 in (null):I-9999 (26) other bump:2.58201 Ang CZ(167) at 46.7362 19.5825 36.002 in (null):F-9999 (21) and CG2(208) at 48.5442 20.709 34.5429 in (null):I-9999 (26) other bump:2.91519 Ang CD2(164) at 48.8452 19.2896 37.0714 in (null):F-9999 (21) and CG2(208) at 48.5442 20.709 34.5429 in (null):I-9999 (26) other bump:2.77835 Ang CZ(167) at 46.7362 19.5825 36.002 in (null):F-9999 (21) and C(203) at 45.903 18.988 33.419 in (null):R-9999 (25) other bump:2.79959 Ang CZ(167) at 46.7362 19.5825 36.002 in (null):F-9999 (21) and O(202) at 45.352 20.066 33.617 in (null):R-9999 (25) other bump:2.37332 Ang CZ(167) at 46.7362 19.5825 36.002 in (null):F-9999 (21) and CB(195) at 45.091 17.96 35.46 in (null):R-9999 (25) other bump:2.62103 Ang CE1(165) at 46.1355 19.5839 37.2325 in (null):F-9999 (21) and CB(195) at 45.091 17.96 35.46 in (null):R-9999 (25) other bump:3.11546 Ang CZ(167) at 46.7362 19.5825 36.002 in (null):F-9999 (21) and CA(194) at 45.304 17.709 33.966 in (null):R-9999 (25) neighbor-bump: 2.86024 Ang CE2(166) at 48.0865 19.4188 35.9129 in (null):F-9999 (21) and O(175) at 48.244 16.563 35.888 in (null):P-9999 (22) other bump:2.05648 Ang CE1(30) at 54.46 24.9251 24.0728 in (null):F-9999 (4) and CZ(71) at 53.7865 24.0818 25.8233 in (null):F-9999 (9) other bump:2.74148 Ang CZ(32) at 53.4341 25.786 23.7049 in (null):F-9999 (4) and CZ(71) at 53.7865 24.0818 25.8233 in (null):F-9999 (9) other bump:2.38632 Ang CE1(30) at 54.46 24.9251 24.0728 in (null):F-9999 (4) and CE2(70) at 54.6115 23.0445 25.5339 in (null):F-9999 (9) other bump:2.9759 Ang CE1(30) at 54.46 24.9251 24.0728 in (null):F-9999 (4) and CE1(69) at 53.9264 24.7617 26.9959 in (null):F-9999 (9) other bump:2.47566 Ang CG2(15) at 54.586 26.923 28.007 in (null):T-9999 (2) and CE1(69) at 53.9264 24.7617 26.9959 in (null):F-9999 (9) other bump:2.56831 Ang CG2(15) at 54.586 26.923 28.007 in (null):T-9999 (2) and CD1(67) at 54.9408 24.3811 27.9125 in (null):F-9999 (9) other bump:2.18001 Ang CB(21) at 58.834 31.704 26.143 in (null):A-9999 (3) and OE2(60) at 58.413 31.6348 28.2808 in (null):E-9999 (8) other bump:2.61298 Ang CA(13) at 54.741 29.389 27.249 in (null):T-9999 (2) and OE1(59) at 56.591 30.4439 28.763 in (null):E-9999 (8) other bump:2.3779 Ang N(19) at 56.82 30.309 26.4 in (null):A-9999 (3) and OE1(59) at 56.591 30.4439 28.763 in (null):E-9999 (8) other bump:2.52327 Ang N(19) at 56.82 30.309 26.4 in (null):A-9999 (3) and CD(58) at 57.8342 30.6044 28.6915 in (null):E-9999 (8) other bump:3.24285 Ang CA(20) at 57.784 30.858 25.459 in (null):A-9999 (3) and CD(58) at 57.8342 30.6044 28.6915 in (null):E-9999 (8) other bump:2.95022 Ang CB(21) at 58.834 31.704 26.143 in (null):A-9999 (3) and CD(58) at 57.8342 30.6044 28.6915 in (null):E-9999 (8) other bump:3.0129 Ang OG1(16) at 54.984 27.453 25.698 in (null):T-9999 (2) and CE2(31) at 53.7224 26.9494 23.0087 in (null):F-9999 (4) T0147_twice 349 :VFAPHDKATNTQAMIATIASGNVHIISHPGNPKYEIDVKAVAEAA 1eywA 227 :CIGHSDDTDDLSYLTALAARGYLIGLDHIPHSAIGLEDNASASAL Fragment has 104 clashes (null) has 104 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.36358 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and N(327) at 55.296 39.279 16.606 in (null):A-9999 (45) other bump:1.94988 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and N(322) at 57.282 40.168 14.891 in (null):A-9999 (44) other bump:2.59762 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and C(321) at 57.121 39.216 13.968 in (null):E-9999 (43) other bump:2.64422 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and C(321) at 57.121 39.216 13.968 in (null):E-9999 (43) other bump:2.03238 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and C(321) at 57.121 39.216 13.968 in (null):E-9999 (43) other bump:1.72159 Ang CA(273) at 58.556 40.481 6.947 in (null):D-9999 (37) and OE2(319) at 58.9102 41.13 8.50174 in (null):E-9999 (43) other bump:1.61477 Ang O(278) at 59.566 42.476 7.897 in (null):D-9999 (37) and OE2(319) at 58.9102 41.13 8.50174 in (null):E-9999 (43) other bump:1.68446 Ang C(279) at 58.813 41.989 7.056 in (null):D-9999 (37) and OE2(319) at 58.9102 41.13 8.50174 in (null):E-9999 (43) other bump:2.8214 Ang CA(273) at 58.556 40.481 6.947 in (null):D-9999 (37) and CD(317) at 59.0954 40.8093 9.69683 in (null):E-9999 (43) other bump:2.49776 Ang O(278) at 59.566 42.476 7.897 in (null):D-9999 (37) and CD(317) at 59.0954 40.8093 9.69683 in (null):E-9999 (43) other bump:2.9061 Ang C(279) at 58.813 41.989 7.056 in (null):D-9999 (37) and CD(317) at 59.0954 40.8093 9.69683 in (null):E-9999 (43) other bump:3.10081 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and CB(315) at 58.0452 40.1143 11.8995 in (null):E-9999 (43) other bump:3.15533 Ang CG(237) at 54.2894 38.0746 11.4151 in (null):K-9999 (33) and CA(314) at 56.764 39.667 12.554 in (null):E-9999 (43) other bump:1.7514 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and CA(314) at 56.764 39.667 12.554 in (null):E-9999 (43) other bump:2.49532 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and CA(314) at 56.764 39.667 12.554 in (null):E-9999 (43) other bump:2.37504 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and CA(314) at 56.764 39.667 12.554 in (null):E-9999 (43) other bump:3.17307 Ang CG(237) at 54.2894 38.0746 11.4151 in (null):K-9999 (33) and N(313) at 55.721 40.662 12.566 in (null):E-9999 (43) other bump:1.79857 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and N(313) at 55.721 40.662 12.566 in (null):E-9999 (43) other bump:2.06004 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and N(313) at 55.721 40.662 12.566 in (null):E-9999 (43) other bump:1.94661 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and N(313) at 55.721 40.662 12.566 in (null):E-9999 (43) other bump:2.84976 Ang CG(237) at 54.2894 38.0746 11.4151 in (null):K-9999 (33) and C(312) at 54.53 40.39 13.059 in (null):A-9999 (42) other bump:1.75473 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and C(312) at 54.53 40.39 13.059 in (null):A-9999 (42) other bump:1.17489 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and C(312) at 54.53 40.39 13.059 in (null):A-9999 (42) other bump:1.62527 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and C(312) at 54.53 40.39 13.059 in (null):A-9999 (42) other bump:2.43821 Ang CG(237) at 54.2894 38.0746 11.4151 in (null):K-9999 (33) and O(311) at 54.234 39.304 13.52 in (null):A-9999 (42) other bump:1.61609 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and O(311) at 54.234 39.304 13.52 in (null):A-9999 (42) other bump:0.281393 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and O(311) at 54.234 39.304 13.52 in (null):A-9999 (42) other bump:1.7067 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and O(311) at 54.234 39.304 13.52 in (null):A-9999 (42) other bump:3.12536 Ang CD(238) at 55.1836 38.9741 12.2546 in (null):K-9999 (33) and CA(309) at 53.551 41.531 13.006 in (null):A-9999 (42) other bump:2.46405 Ang CE(239) at 54.5095 39.3321 13.5698 in (null):K-9999 (33) and CA(309) at 53.551 41.531 13.006 in (null):A-9999 (42) other bump:2.68611 Ang NZ(240) at 55.3894 40.1782 14.4221 in (null):K-9999 (33) and CA(309) at 53.551 41.531 13.006 in (null):A-9999 (42) neighbor-bump: 2.15667 Ang O(253) at 53.458 36.057 4.889 in (null):Y-9999 (34) and CB(257) at 53.3817 37.1779 3.0481 in (null):E-9999 (35) neighbor-bump: 2.58361 Ang C(254) at 54.695 36.069 4.977 in (null):Y-9999 (34) and CB(257) at 53.3817 37.1779 3.0481 in (null):E-9999 (35) other bump:2.1441 Ang O(217) at 48.662 32.069 10.977 in (null):G-9999 (30) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) other bump:2.37986 Ang C(218) at 48.72 31.13 11.773 in (null):G-9999 (30) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) neighbor-bump: 2.41081 Ang N(219) at 49.485 31.136 12.887 in (null):N-9999 (31) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) neighbor-bump: 2.22143 Ang CA(220) at 50.344 32.277 13.253 in (null):N-9999 (31) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) neighbor-bump: 2.28427 Ang O(225) at 52.535 31.584 12.503 in (null):N-9999 (31) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) neighbor-bump: 1.50905 Ang C(226) at 51.574 32.356 12.353 in (null):N-9999 (31) and CD(231) at 50.8031 32.0569 11.0907 in (null):P-9999 (32) neighbor-bump: 2.23923 Ang O(225) at 52.535 31.584 12.503 in (null):N-9999 (31) and CG(230) at 51.8402 31.2109 10.4072 in (null):P-9999 (32) neighbor-bump: 2.27333 Ang C(226) at 51.574 32.356 12.353 in (null):N-9999 (31) and CG(230) at 51.8402 31.2109 10.4072 in (null):P-9999 (32) other bump:2.40991 Ang CA(199) at 49.476 28.718 16.923 in (null):H-9999 (28) and OD1(224) at 49.8218 31.0814 16.6028 in (null):N-9999 (31) other bump:2.54345 Ang CD2(202) at 49.52 30.649 19.091 in (null):H-9999 (28) and OD1(224) at 49.8218 31.0814 16.6028 in (null):N-9999 (31) other bump:2.31282 Ang CB(200) at 50.851 29.183 17.431 in (null):H-9999 (28) and OD1(224) at 49.8218 31.0814 16.6028 in (null):N-9999 (31) other bump:2.30845 Ang CG(201) at 50.669 30.157 18.541 in (null):H-9999 (28) and OD1(224) at 49.8218 31.0814 16.6028 in (null):N-9999 (31) other bump:2.73097 Ang C(197) at 47.959 27.454 18.341 in (null):S-9999 (27) and CD(212) at 47.8907 26.6577 15.7296 in (null):P-9999 (29) neighbor-bump: 2.42224 Ang N(198) at 49.104 27.51 17.645 in (null):H-9999 (28) and CD(212) at 47.8907 26.6577 15.7296 in (null):P-9999 (29) other bump:2.19863 Ang CE(55) at 53.0895 30.7772 20.9883 in (null):K-9999 (7) and CE1(204) at 51.237 31.578 20.116 in (null):H-9999 (28) other bump:2.77471 Ang NZ(56) at 52.872 31.3434 22.3455 in (null):K-9999 (7) and CE1(204) at 51.237 31.578 20.116 in (null):H-9999 (28) other bump:2.23974 Ang CE(55) at 53.0895 30.7772 20.9883 in (null):K-9999 (7) and ND1(203) at 51.744 30.748 19.198 in (null):H-9999 (28) other bump:3.39614 Ang NZ(56) at 52.872 31.3434 22.3455 in (null):K-9999 (7) and ND1(203) at 51.744 30.748 19.198 in (null):H-9999 (28) other bump:1.89687 Ang CG2(180) at 47.1665 24.2278 22.9489 in (null):I-9999 (25) and OG(195) at 46.9226 25.3503 21.4393 in (null):S-9999 (27) other bump:3.03091 Ang CD2(170) at 52.4489 19.7803 21.1233 in (null):H-9999 (24) and CG1(187) at 50.9596 20.9837 18.7737 in (null):I-9999 (26) other bump:3.12616 Ang NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) and CG1(187) at 50.9596 20.9837 18.7737 in (null):I-9999 (26) other bump:3.03565 Ang CB(4) at 46.8203 21.9768 28.0035 in (null):V-9999 (1) and CD1(181) at 46.8181 21.9043 24.9688 in (null):I-9999 (25) other bump:1.6626 Ang CG1(5) at 47.1309 22.3274 26.5459 in (null):V-9999 (1) and CD1(181) at 46.8181 21.9043 24.9688 in (null):I-9999 (25) other bump:1.77752 Ang CG1(5) at 47.1309 22.3274 26.5459 in (null):V-9999 (1) and CG1(179) at 47.8081 23.0476 25.0686 in (null):I-9999 (25) other bump:0.442978 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:2.49999 Ang CB(34) at 53.1697 22.9292 22.1631 in (null):H-9999 (5) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:1.47161 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:2.61845 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:1.77866 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:2.20998 Ang CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) and NE2(173) at 53.3046 20.8159 20.8343 in (null):H-9999 (24) other bump:1.17871 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:1.79052 Ang CB(34) at 53.1697 22.9292 22.1631 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:0.400955 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:1.36502 Ang ND1(37) at 55.0375 21.2704 22.5838 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:2.0314 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:1.95754 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:2.85394 Ang CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:3.05287 Ang CA(33) at 54.022 24.318 21.777 in (null):H-9999 (5) and CE1(172) at 53.8263 21.2766 21.9544 in (null):H-9999 (24) other bump:2.06673 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:2.48911 Ang CB(34) at 53.1697 22.9292 22.1631 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:1.63697 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:1.873 Ang ND1(37) at 55.0375 21.2704 22.5838 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:2.37207 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:2.46392 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and ND1(171) at 53.3384 20.5762 22.957 in (null):H-9999 (24) other bump:1.58387 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and CD2(170) at 52.4489 19.7803 21.1233 in (null):H-9999 (24) other bump:2.49919 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and CD2(170) at 52.4489 19.7803 21.1233 in (null):H-9999 (24) other bump:2.27161 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and CD2(170) at 52.4489 19.7803 21.1233 in (null):H-9999 (24) other bump:2.72683 Ang CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) and CD2(170) at 52.4489 19.7803 21.1233 in (null):H-9999 (24) other bump:2.25714 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and CG(169) at 52.4672 19.6261 22.4668 in (null):H-9999 (24) other bump:2.56599 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and CG(169) at 52.4672 19.6261 22.4668 in (null):H-9999 (24) other bump:2.64736 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and CG(169) at 52.4672 19.6261 22.4668 in (null):H-9999 (24) other bump:2.38291 Ang CE2(16) at 53.0433 20.1125 30.9879 in (null):F-9999 (2) and OD1(156) at 52.5683 17.9936 31.9692 in (null):N-9999 (22) other bump:2.88901 Ang CG2(124) at 55.2474 18.2519 28.6088 in (null):T-9999 (17) and ND2(155) at 54.409 17.045 31.0961 in (null):N-9999 (22) other bump:2.62379 Ang CE2(16) at 53.0433 20.1125 30.9879 in (null):F-9999 (2) and CG(154) at 53.1632 17.4915 31.0114 in (null):N-9999 (22) other bump:3.12246 Ang CE2(16) at 53.0433 20.1125 30.9879 in (null):F-9999 (2) and CB(153) at 52.486 17.3375 29.6693 in (null):N-9999 (22) other bump:1.91005 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) other bump:3.01497 Ang CG(35) at 53.9165 21.6589 21.8738 in (null):H-9999 (5) and CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) other bump:2.31305 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) other bump:1.18514 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and CE(105) at 54.8907 19.5726 19.9275 in (null):M-9999 (14) other bump:3.18926 Ang CD2(36) at 53.722 20.7026 20.9301 in (null):H-9999 (5) and SD(104) at 56.5756 20.1009 19.6392 in (null):M-9999 (14) other bump:2.67377 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and SD(104) at 56.5756 20.1009 19.6392 in (null):M-9999 (14) other bump:2.37489 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and SD(104) at 56.5756 20.1009 19.6392 in (null):M-9999 (14) other bump:2.00501 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and CG(103) at 57.3079 19.85 21.267 in (null):M-9999 (14) other bump:2.59548 Ang NE2(39) at 54.7201 19.7682 21.0838 in (null):H-9999 (5) and CG(103) at 57.3079 19.85 21.267 in (null):M-9999 (14) other bump:2.47583 Ang CE1(38) at 55.5003 20.1335 22.0871 in (null):H-9999 (5) and CB(102) at 57.223 18.3922 21.7263 in (null):M-9999 (14) other bump:2.67799 Ang CB(27) at 51.7993 28.8912 22.2575 in (null):P-9999 (4) and NZ(56) at 52.872 31.3434 22.3455 in (null):K-9999 (7) other bump:2.61388 Ang CB(27) at 51.7993 28.8912 22.2575 in (null):P-9999 (4) and CE(55) at 53.0895 30.7772 20.9883 in (null):K-9999 (7) neighbor-bump: 2.42736 Ang CB(22) at 49.5727 26.9783 25.7086 in (null):A-9999 (3) and CD(29) at 51.3509 27.9005 24.3377 in (null):P-9999 (4) neighbor-bump: 2.04161 Ang O(23) at 52.635 26.414 24.894 in (null):A-9999 (3) and CD(29) at 51.3509 27.9005 24.3377 in (null):P-9999 (4) neighbor-bump: 1.58369 Ang C(24) at 51.505 26.326 24.41 in (null):A-9999 (3) and CD(29) at 51.3509 27.9005 24.3377 in (null):P-9999 (4) self-bump: 2.22697 Ang CA(26) at 52.013 27.492 22.251 in (null):P-9999 (4) and CD(29) at 51.3509 27.9005 24.3377 in (null):P-9999 (4) T0147_twice 410 :SRKGSEDNCREVAAAVRDAGG 1eywA 272 :LGIRSWQTRALLIKALIDQGY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 2.14937 Ang O(6) at 54.474 33.666 13.863 in (null):S-9999 (1) and CB(10) at 56.5172 32.9992 13.8867 in (null):R-9999 (2) neighbor-bump: 2.59055 Ang C(7) at 54.722 34.852 14.122 in (null):S-9999 (1) and CB(10) at 56.5172 32.9992 13.8867 in (null):R-9999 (2) T0147_twice 431 :WVALGSD 1eywA 295 :QILVSND Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 10 total=636 Number of alignments=54 # 1ezwA read from T0147_twice.t2k-2track-undertaker.a2m # found chain 1ezwA in template set T0147_twice 19 :TLSDYIAQAKQKGIKLFAITDHGPDMEDAPHHW 1ezwA 18 :KIAHLIKVAEDNGFEYAWICDHYNNYSYMGVLT Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.0445 Ang CB(144) at -16.622 26.902 24.779 in (null):I-9999 (19) and NE2(248) at -15.9318 28.8014 25.0887 in (null):H-9999 (32) other bump:2.51886 Ang CG1(145) at -16.5 26.665 26.296 in (null):I-9999 (19) and NE2(248) at -15.9318 28.8014 25.0887 in (null):H-9999 (32) other bump:3.10793 Ang CB(144) at -16.622 26.902 24.779 in (null):I-9999 (19) and CE1(247) at -14.8648 29.3045 25.6732 in (null):H-9999 (32) other bump:2.80986 Ang CB(144) at -16.622 26.902 24.779 in (null):I-9999 (19) and CD2(245) at -17.0173 29.6247 25.3497 in (null):H-9999 (32) other bump:2.83093 Ang CD1(147) at -16.964 25.229 26.672 in (null):I-9999 (19) and NE2(238) at -18.7624 26.2834 28.5873 in (null):H-9999 (31) other bump:2.29143 Ang CB(11) at -20.5364 24.1059 30.155 in (null):L-9999 (2) and CE1(237) at -19.8419 26.1299 29.3354 in (null):H-9999 (31) other bump:2.819 Ang CG(12) at -20.2152 23.3811 28.8339 in (null):L-9999 (2) and CE1(237) at -19.8419 26.1299 29.3354 in (null):H-9999 (31) other bump:2.99042 Ang CD1(147) at -16.964 25.229 26.672 in (null):I-9999 (19) and CD2(235) at -19.0389 27.1808 27.5817 in (null):H-9999 (31) other bump:2.89229 Ang CG1(145) at -16.5 26.665 26.296 in (null):I-9999 (19) and CD2(235) at -19.0389 27.1808 27.5817 in (null):H-9999 (31) other bump:2.94997 Ang CB(204) at -24.281 31.0461 21.5992 in (null):E-9999 (27) and CD(228) at -23.328 32.702 23.8469 in (null):P-9999 (30) other bump:3.15616 Ang C(210) at -22.39 29.896 22.748 in (null):E-9999 (27) and CD(228) at -23.328 32.702 23.8469 in (null):P-9999 (30) other bump:2.9234 Ang CG(205) at -23.3546 32.093 20.9877 in (null):E-9999 (27) and CD(228) at -23.328 32.702 23.8469 in (null):P-9999 (30) other bump:2.66862 Ang CA(158) at -18.717 26.914 18.249 in (null):D-9999 (21) and OD2(216) at -17.9115 28.6431 20.1152 in (null):D-9999 (28) other bump:2.46718 Ang CB(159) at -17.972 28.168 17.695 in (null):D-9999 (21) and OD2(216) at -17.9115 28.6431 20.1152 in (null):D-9999 (28) other bump:1.92743 Ang O(155) at -18.63 26.083 20.899 in (null):T-9999 (20) and OD1(215) at -19.3608 27.754 21.5224 in (null):D-9999 (28) neighbor-bump: 2.62991 Ang N(175) at -23.701 25.915 15.79 in (null):G-9999 (23) and CD(183) at -24.8372 23.5442 15.7222 in (null):P-9999 (24) other bump:2.90287 Ang C(174) at -22.982 25.478 16.838 in (null):H-9999 (22) and CD(183) at -24.8372 23.5442 15.7222 in (null):P-9999 (24) other bump:1.98906 Ang CB(67) at -10.79 22.685 34.253 in (null):A-9999 (9) and CZ(134) at -10.8091 24.2957 33.0861 in (null):F-9999 (17) other bump:3.21415 Ang CA(66) at -10.567 22.547 35.772 in (null):A-9999 (9) and CZ(134) at -10.8091 24.2957 33.0861 in (null):F-9999 (17) other bump:2.55371 Ang CB(67) at -10.79 22.685 34.253 in (null):A-9999 (9) and CE1(132) at -11.576 23.7422 32.0653 in (null):F-9999 (17) other bump:2.63406 Ang CB(67) at -10.79 22.685 34.253 in (null):A-9999 (9) and CD1(106) at -8.7524 21.2657 33.3744 in (null):I-9999 (14) other bump:2.63618 Ang CG2(5) at -22.4786 20.0417 33.9494 in (null):T-9999 (1) and CE1(37) at -20.0974 19.0024 34.3958 in (null):Y-9999 (5) T0147_twice 58 :IWPRVVDGVGILRGI 1ezwA 51 :LAAVITSKIKLGPGI Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 1.94656 Ang O(85) at -11.254 32.855 26.227 in (null):I-9999 (11) and CD2(92) at -10.5181 33.8263 24.709 in (null):L-9999 (12) neighbor-bump: 2.69349 Ang C(86) at -11.531 31.711 26.551 in (null):I-9999 (11) and CG(90) at -9.93128 32.4434 24.5115 in (null):L-9999 (12) neighbor-bump: 2.20497 Ang O(85) at -11.254 32.855 26.227 in (null):I-9999 (11) and CG(90) at -9.93128 32.4434 24.5115 in (null):L-9999 (12) other bump:2.72506 Ang CD2(15) at -14.615 29.5707 31.7357 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:1.77714 Ang CE3(17) at -14.0385 30.5596 30.9279 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:0.416625 Ang CZ3(20) at -12.6502 30.6645 30.8817 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:1.23513 Ang CH2(21) at -11.832 29.798 31.6292 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:2.92755 Ang CE2(16) at -13.7625 28.7133 32.4754 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:2.41174 Ang CZ2(19) at -12.3684 28.819 32.4288 in (null):W-9999 (2) and CD1(84) at -12.2698 30.552 30.7544 in (null):I-9999 (11) other bump:2.82017 Ang CE3(17) at -14.0385 30.5596 30.9279 in (null):W-9999 (2) and CG2(83) at -13.8613 31.645 28.331 in (null):I-9999 (11) other bump:2.98899 Ang CZ3(20) at -12.6502 30.6645 30.8817 in (null):W-9999 (2) and CG2(83) at -13.8613 31.645 28.331 in (null):I-9999 (11) other bump:2.31904 Ang CE3(17) at -14.0385 30.5596 30.9279 in (null):W-9999 (2) and CG1(82) at -12.3311 31.9932 30.2894 in (null):I-9999 (11) other bump:1.48932 Ang CZ3(20) at -12.6502 30.6645 30.8817 in (null):W-9999 (2) and CG1(82) at -12.3311 31.9932 30.2894 in (null):I-9999 (11) other bump:2.61982 Ang CH2(21) at -11.832 29.798 31.6292 in (null):W-9999 (2) and CG1(82) at -12.3311 31.9932 30.2894 in (null):I-9999 (11) other bump:3.09037 Ang CE3(17) at -14.0385 30.5596 30.9279 in (null):W-9999 (2) and CB(81) at -12.4803 32.1205 28.7631 in (null):I-9999 (11) other bump:2.57624 Ang CZ3(20) at -12.6502 30.6645 30.8817 in (null):W-9999 (2) and CB(81) at -12.4803 32.1205 28.7631 in (null):I-9999 (11) other bump:3.22108 Ang CZ3(20) at -12.6502 30.6645 30.8817 in (null):W-9999 (2) and CA(80) at -11.353 31.297 28.002 in (null):I-9999 (11) other bump:2.16819 Ang CH2(21) at -11.832 29.798 31.6292 in (null):W-9999 (2) and CG2(72) at -10.679 29.254 33.383 in (null):V-9999 (9) other bump:1.9884 Ang CZ2(19) at -12.3684 28.819 32.4288 in (null):W-9999 (2) and CG2(72) at -10.679 29.254 33.383 in (null):V-9999 (9) other bump:2.98818 Ang NE1(18) at -14.5582 27.8454 33.1744 in (null):W-9999 (2) and CG2(53) at -14.3553 30.1462 35.0703 in (null):V-9999 (6) other bump:3.02289 Ang CE2(16) at -13.7625 28.7133 32.4754 in (null):W-9999 (2) and CG2(53) at -14.3553 30.1462 35.0703 in (null):V-9999 (6) other bump:2.77117 Ang C(1) at -19.951 34.208 30.857 in (null):G-9999 (0) and CD(28) at -17.4494 33.0471 31.1287 in (null):P-9999 (3) neighbor-bump: 2.62368 Ang N(10) at -19.15 31.267 32.036 in (null):W-9999 (2) and CD(28) at -17.4494 33.0471 31.1287 in (null):P-9999 (3) T0147_twice 76 :IKN 1ezwA 66 :TNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 137 :YEIDVKAVAEAAAKHQ 1ezwA 203 :FEVAVPKIEEGAKEAG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.62366 Ang O(84) at 6.61 30.528 9.06 in (null):A-9999 (11) and CD2(109) at 4.93698 32.5428 9.21901 in (null):H-9999 (15) neighbor-bump: 3.2894 Ang CG1(26) at 1.77917 14.1584 10.5977 in (null):I-9999 (3) and OD1(35) at 0.0739948 16.8953 11.2475 in (null):D-9999 (4) T0147_twice 153 :VALEINNSS 1ezwA 230 :TCFSIDKDE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01912 Ang CG1(5) at -6.56736 13.2367 24.0066 in (null):V-9999 (1) and C(13) at -9.246 11.848 24.113 in (null):A-9999 (2) neighbor-bump: 2.62454 Ang CG1(5) at -6.56736 13.2367 24.0066 in (null):V-9999 (1) and O(12) at -8.196 11.179 24.044 in (null):A-9999 (2) T0147_twice 168 :GSEDNCREVAAAVRDAGGW 1ezwA 239 :DKAIEATKIVVAFIVMGSP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0147_twice 206 :LKILDAVDFPPER 1ezwA 258 :DVVLERHGIDTEK Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.35172 Ang N(81) at -8.311 -1.227 8.139 in (null):P-9999 (11) and CD(85) at -6.96938 -1.27875 7.9824 in (null):P-9999 (11) other bump:1.83805 Ang O(72) at -6.058 -0.249 9.202 in (null):F-9999 (9) and CD(85) at -6.96938 -1.27875 7.9824 in (null):P-9999 (11) other bump:2.71054 Ang C(73) at -6.23 -0.334 10.413 in (null):F-9999 (9) and CD(85) at -6.96938 -1.27875 7.9824 in (null):P-9999 (11) self-bump: 2.20525 Ang N(81) at -8.311 -1.227 8.139 in (null):P-9999 (11) and CG(84) at -6.79428 -0.354868 6.79659 in (null):P-9999 (11) other bump:2.5178 Ang O(72) at -6.058 -0.249 9.202 in (null):F-9999 (9) and CG(84) at -6.79428 -0.354868 6.79659 in (null):P-9999 (11) self-bump: 1.37945 Ang CA(75) at -7.666 -2.31 10.219 in (null):P-9999 (10) and CB(76) at -7.70866 -3.52125 10.8777 in (null):P-9999 (10) other bump:2.43548 Ang CB(50) at -3.11978 5.08635 13.0411 in (null):V-9999 (7) and CZ(71) at -5.20611 4.90258 14.2841 in (null):F-9999 (9) other bump:1.44664 Ang CG1(51) at -3.8385 4.43688 14.2095 in (null):V-9999 (7) and CZ(71) at -5.20611 4.90258 14.2841 in (null):F-9999 (9) other bump:1.66077 Ang CB(50) at -3.11978 5.08635 13.0411 in (null):V-9999 (7) and CE2(70) at -4.77314 4.95508 12.9556 in (null):F-9999 (9) other bump:1.64753 Ang CG1(51) at -3.8385 4.43688 14.2095 in (null):V-9999 (7) and CE2(70) at -4.77314 4.95508 12.9556 in (null):F-9999 (9) other bump:3.18199 Ang CA(49) at -1.698 4.202 12.637 in (null):V-9999 (7) and CE2(70) at -4.77314 4.95508 12.9556 in (null):F-9999 (9) other bump:2.63985 Ang CG2(52) at -2.69258 6.51343 13.4156 in (null):V-9999 (7) and CE2(70) at -4.77314 4.95508 12.9556 in (null):F-9999 (9) other bump:2.34661 Ang CG1(51) at -3.8385 4.43688 14.2095 in (null):V-9999 (7) and CE1(69) at -6.07111 3.88924 14.6808 in (null):F-9999 (9) other bump:3.22572 Ang CA(28) at -5.58 5.204 9.068 in (null):L-9999 (4) and CD2(68) at -5.21057 3.99512 12.0357 in (null):F-9999 (9) other bump:2.56378 Ang CB(50) at -3.11978 5.08635 13.0411 in (null):V-9999 (7) and CD2(68) at -5.21057 3.99512 12.0357 in (null):F-9999 (9) other bump:2.60824 Ang CG1(51) at -3.8385 4.43688 14.2095 in (null):V-9999 (7) and CD2(68) at -5.21057 3.99512 12.0357 in (null):F-9999 (9) T0147_twice 253 :MHTVASTHAYSTLSDYIAQAKQKGIKLFAITDH 1ezwA 271 :AEQIAEAIGKGDFGTAIGLVDEDMIEAFSIAGD Fragment has 46 clashes (null) has 46 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.52118 Ang O(238) at -5.238 4.947 28.332 in (null):T-9999 (31) and CG(243) at -3.84922 5.88633 30.2149 in (null):D-9999 (32) neighbor-bump: 2.78687 Ang C(239) at -6.172 5.679 28.689 in (null):T-9999 (31) and CG(243) at -3.84922 5.88633 30.2149 in (null):D-9999 (32) neighbor-bump: 2.23636 Ang O(238) at -5.238 4.947 28.332 in (null):T-9999 (31) and CB(242) at -4.58846 4.58087 30.4404 in (null):D-9999 (32) neighbor-bump: 2.60402 Ang C(239) at -6.172 5.679 28.689 in (null):T-9999 (31) and CB(242) at -4.58846 4.58087 30.4404 in (null):D-9999 (32) neighbor-bump: 3.08359 Ang CG(204) at -4.37275 6.18501 15.2014 in (null):L-9999 (27) and CZ(217) at -6.952 6.762 13.613 in (null):F-9999 (28) neighbor-bump: 2.26359 Ang CD2(206) at -5.074 5.5594 14.0012 in (null):L-9999 (27) and CZ(217) at -6.952 6.762 13.613 in (null):F-9999 (28) neighbor-bump: 3.06524 Ang CG(204) at -4.37275 6.18501 15.2014 in (null):L-9999 (27) and CE2(216) at -6.592 8.009 14.132 in (null):F-9999 (28) neighbor-bump: 2.88478 Ang CD2(206) at -5.074 5.5594 14.0012 in (null):L-9999 (27) and CE2(216) at -6.592 8.009 14.132 in (null):F-9999 (28) neighbor-bump: 2.68709 Ang CD2(206) at -5.074 5.5594 14.0012 in (null):L-9999 (27) and CE1(215) at -7.714 5.887 14.38 in (null):F-9999 (28) other bump:2.34482 Ang NE2(59) at -18.5502 4.89667 14.478 in (null):H-9999 (8) and OH(123) at -16.4028 5.83818 14.4655 in (null):Y-9999 (16) other bump:2.56846 Ang CG2(31) at -16.715 3.023 13.243 in (null):V-9999 (4) and CZ(122) at -17.327 4.91201 14.8721 in (null):Y-9999 (16) other bump:2.48569 Ang CD2(56) at -19.2054 4.56105 13.2824 in (null):H-9999 (8) and CZ(122) at -17.327 4.91201 14.8721 in (null):Y-9999 (16) other bump:3.25788 Ang ND1(57) at -20.1432 6.35636 14.1 in (null):H-9999 (8) and CZ(122) at -17.327 4.91201 14.8721 in (null):Y-9999 (16) other bump:2.11959 Ang CE1(58) at -19.1555 5.98271 14.9237 in (null):H-9999 (8) and CZ(122) at -17.327 4.91201 14.8721 in (null):Y-9999 (16) other bump:1.28528 Ang NE2(59) at -18.5502 4.89667 14.478 in (null):H-9999 (8) and CZ(122) at -17.327 4.91201 14.8721 in (null):Y-9999 (16) other bump:2.1994 Ang CG2(31) at -16.715 3.023 13.243 in (null):V-9999 (4) and CE2(121) at -18.2559 4.41824 13.9615 in (null):Y-9999 (16) other bump:2.38478 Ang CG(55) at -20.1931 5.46661 13.0475 in (null):H-9999 (8) and CE2(121) at -18.2559 4.41824 13.9615 in (null):Y-9999 (16) other bump:1.17602 Ang CD2(56) at -19.2054 4.56105 13.2824 in (null):H-9999 (8) and CE2(121) at -18.2559 4.41824 13.9615 in (null):Y-9999 (16) other bump:2.70879 Ang ND1(57) at -20.1432 6.35636 14.1 in (null):H-9999 (8) and CE2(121) at -18.2559 4.41824 13.9615 in (null):Y-9999 (16) other bump:2.04517 Ang CE1(58) at -19.1555 5.98271 14.9237 in (null):H-9999 (8) and CE2(121) at -18.2559 4.41824 13.9615 in (null):Y-9999 (16) other bump:0.763074 Ang NE2(59) at -18.5502 4.89667 14.478 in (null):H-9999 (8) and CE2(121) at -18.2559 4.41824 13.9615 in (null):Y-9999 (16) other bump:2.68875 Ang CE1(58) at -19.1555 5.98271 14.9237 in (null):H-9999 (8) and CE1(120) at -17.3215 4.4727 16.1829 in (null):Y-9999 (16) other bump:2.1439 Ang NE2(59) at -18.5502 4.89667 14.478 in (null):H-9999 (8) and CE1(120) at -17.3215 4.4727 16.1829 in (null):Y-9999 (16) other bump:2.7605 Ang CG2(31) at -16.715 3.023 13.243 in (null):V-9999 (4) and CD2(119) at -19.1876 3.47932 14.3824 in (null):Y-9999 (16) other bump:2.59656 Ang CG(55) at -20.1931 5.46661 13.0475 in (null):H-9999 (8) and CD2(119) at -19.1876 3.47932 14.3824 in (null):Y-9999 (16) other bump:1.54284 Ang CD2(56) at -19.2054 4.56105 13.2824 in (null):H-9999 (8) and CD2(119) at -19.1876 3.47932 14.3824 in (null):Y-9999 (16) other bump:1.55702 Ang NE2(59) at -18.5502 4.89667 14.478 in (null):H-9999 (8) and CD2(119) at -19.1876 3.47932 14.3824 in (null):Y-9999 (16) other bump:2.5324 Ang NE2(59) at -18.5502 4.89667 14.478 in (null):H-9999 (8) and CD1(118) at -18.255 3.53664 16.5937 in (null):Y-9999 (16) other bump:2.33046 Ang NE2(59) at -18.5502 4.89667 14.478 in (null):H-9999 (8) and CG(117) at -19.2003 3.02356 15.7027 in (null):Y-9999 (16) other bump:2.92113 Ang CG2(48) at -22.4814 0.311152 14.1595 in (null):T-9999 (7) and N(114) at -20.807 -0.343 16.462 in (null):Y-9999 (16) other bump:3.16529 Ang CG2(48) at -22.4814 0.311152 14.1595 in (null):T-9999 (7) and C(91) at -24.829 1.643 15.813 in (null):T-9999 (12) other bump:1.96727 Ang CG2(48) at -22.4814 0.311152 14.1595 in (null):T-9999 (7) and O(90) at -23.807 1.096 15.383 in (null):T-9999 (12) other bump:3.01639 Ang CG2(48) at -22.4814 0.311152 14.1595 in (null):T-9999 (7) and OG1(89) at -25.2896 0.546168 13.0837 in (null):T-9999 (12) other bump:2.97349 Ang CA(40) at -21.56 1.854 8.225 in (null):S-9999 (6) and CE2(74) at -24.2559 1.98432 6.97724 in (null):Y-9999 (10) other bump:2.44424 Ang O(43) at -23.685 1.71 9.338 in (null):S-9999 (6) and CE2(74) at -24.2559 1.98432 6.97724 in (null):Y-9999 (10) other bump:3.06452 Ang C(44) at -22.459 1.608 9.431 in (null):S-9999 (6) and CE2(74) at -24.2559 1.98432 6.97724 in (null):Y-9999 (10) other bump:3.18519 Ang CA(40) at -21.56 1.854 8.225 in (null):S-9999 (6) and CD2(72) at -24.7356 2.096 8.27464 in (null):Y-9999 (10) other bump:1.54385 Ang O(43) at -23.685 1.71 9.338 in (null):S-9999 (6) and CD2(72) at -24.7356 2.096 8.27464 in (null):Y-9999 (10) other bump:2.59965 Ang C(44) at -22.459 1.608 9.431 in (null):S-9999 (6) and CD2(72) at -24.7356 2.096 8.27464 in (null):Y-9999 (10) other bump:2.46919 Ang O(37) at -20.986 4.526 8.814 in (null):A-9999 (5) and O(60) at -23.148 4.693 9.995 in (null):H-9999 (8) other bump:3.12675 Ang C(33) at -18.444 2.391 11.164 in (null):V-9999 (4) and CD2(56) at -19.2054 4.56105 13.2824 in (null):H-9999 (8) other bump:2.9273 Ang CG2(31) at -16.715 3.023 13.243 in (null):V-9999 (4) and CD2(56) at -19.2054 4.56105 13.2824 in (null):H-9999 (8) other bump:2.35894 Ang O(32) at -19.45 2.775 11.761 in (null):V-9999 (4) and CD2(56) at -19.2054 4.56105 13.2824 in (null):H-9999 (8) other bump:3.2214 Ang CA(11) at -15.816 2.252 7.464 in (null):H-9999 (2) and CB(36) at -17.891 4.595 8.227 in (null):A-9999 (5) other bump:3.10236 Ang C(19) at -16.904 1.21 7.709 in (null):H-9999 (2) and N(34) at -18.015 2.943 10.03 in (null):A-9999 (5) other bump:2.97504 Ang C(1) at -13.204 -1.31 10.817 in (null):G-9999 (0) and CG2(23) at -15.7965 -2.47679 9.94029 in (null):T-9999 (3) T0147_twice 382 :YEIDVKAVAEAAAKHQVALEIN 1ezwA 304 :PDTVVDKIEELLKAGVTQVVVG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.61438 Ang NE2(121) at -0.555627 20.2116 22.8682 in (null):Q-9999 (16) and C(135) at -1.368 20.94 25.244 in (null):A-9999 (18) other bump:2.77705 Ang CD(119) at -0.0987195 19.0238 22.4465 in (null):Q-9999 (16) and O(134) at -1.672 20.59 24.115 in (null):A-9999 (18) T0147_twice 410 :SRKGSEDNCREVA 1ezwA 326 :SPIGPDKEKAIEL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.30594 Ang CA(29) at -13.445 10.341 31.671 in (null):G-9999 (4) and CD(73) at -11.7978 10.0372 34.5212 in (null):R-9999 (10) other bump:2.70283 Ang CA(29) at -13.445 10.341 31.671 in (null):G-9999 (4) and CG(72) at -12.7886 11.1518 34.1644 in (null):R-9999 (10) other bump:2.31002 Ang O(17) at -15.475 12.906 29.126 in (null):R-9999 (2) and OD2(52) at -16.232 13.7101 31.1549 in (null):D-9999 (7) self-bump: 2.15611 Ang CB(21) at -13.194 14.2387 30.5108 in (null):K-9999 (3) and C(27) at -12.45 12.215 30.505 in (null):K-9999 (3) Number of specific fragments= 10 total=646 Number of alignments=55 # 1fwcC read from T0147_twice.t2k-2track-undertaker.a2m # found chain 1fwcC in template set T0147_twice 111 :ATNTQAMIATIASGNVHI 1fwcC 174 :PWYISRMLQAADSLPVNI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0147_twice 130 :SHPGNPK 1fwcC 192 :GLLGKGN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues self-bump: 1.37285 Ang N(37) at 62.548 100.373 61.398 in (null):P-9999 (6) and CD(41) at 62.7337 100.429 62.7571 in (null):P-9999 (6) self-bump: 2.21984 Ang N(37) at 62.548 100.373 61.398 in (null):P-9999 (6) and CG(40) at 61.307 100.52 63.2326 in (null):P-9999 (6) T0147_twice 141 :VKAVAEAAAKHQVA 1fwcC 202 :PDALREQVAAGVIG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:3.16623 Ang CG(81) at 60.4018 93.8765 65.0121 in (null):Q-9999 (12) and C(98) at 59.045 96.596 65.9 in (null):A-9999 (14) other bump:2.95595 Ang CD(82) at 61.1578 95.0849 64.4893 in (null):Q-9999 (12) and C(98) at 59.045 96.596 65.9 in (null):A-9999 (14) other bump:2.14108 Ang CG(81) at 60.4018 93.8765 65.0121 in (null):Q-9999 (12) and O(97) at 59.98 95.929 65.452 in (null):A-9999 (14) other bump:1.73972 Ang CD(82) at 61.1578 95.0849 64.4893 in (null):Q-9999 (12) and O(97) at 59.98 95.929 65.452 in (null):A-9999 (14) other bump:2.99065 Ang CG(81) at 60.4018 93.8765 65.0121 in (null):Q-9999 (12) and N(94) at 58.264 94.556 66.99 in (null):A-9999 (14) neighbor-bump: 2.39434 Ang C(67) at 61.323 87.066 61.86 in (null):K-9999 (10) and CD2(72) at 61.9175 84.8571 62.5673 in (null):H-9999 (11) neighbor-bump: 1.40891 Ang O(66) at 62.079 86.244 62.379 in (null):K-9999 (10) and CD2(72) at 61.9175 84.8571 62.5673 in (null):H-9999 (11) neighbor-bump: 2.5574 Ang C(67) at 61.323 87.066 61.86 in (null):K-9999 (10) and CG(71) at 61.9977 85.4935 63.7606 in (null):H-9999 (11) neighbor-bump: 1.57438 Ang O(66) at 62.079 86.244 62.379 in (null):K-9999 (10) and CG(71) at 61.9977 85.4935 63.7606 in (null):H-9999 (11) neighbor-bump: 2.35928 Ang C(67) at 61.323 87.066 61.86 in (null):K-9999 (10) and CB(70) at 62.0536 86.9744 64.1014 in (null):H-9999 (11) neighbor-bump: 1.87107 Ang O(66) at 62.079 86.244 62.379 in (null):K-9999 (10) and CB(70) at 62.0536 86.9744 64.1014 in (null):H-9999 (11) T0147_twice 158 :NNSS 1fwcC 219 :HEDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 167 :KGSEDNCREVAAAVRDAGGWVALGSDSHTAFTMG 1fwcC 223 :GATPAAIDCALTVADEMDIQVALHSDTLNESGFV Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.28438 Ang OE2(27) at 57.5046 115.92 58.9227 in (null):E-9999 (4) and CG2(227) at 57.6812 117.263 60.7623 in (null):T-9999 (32) other bump:2.92419 Ang OD2(182) at 63.022 115.984 60.808 in (null):D-9999 (26) and CD1(217) at 63.5535 115.334 58.0069 in (null):F-9999 (31) neighbor-bump: 2.30064 Ang C(200) at 65.467 119.622 63.207 in (null):H-9999 (28) and OG1(205) at 64.504 121.672 63.613 in (null):T-9999 (29) neighbor-bump: 1.79247 Ang O(199) at 65.694 120.712 62.677 in (null):H-9999 (28) and OG1(205) at 64.504 121.672 63.613 in (null):T-9999 (29) other bump:2.22269 Ang CZ3(143) at 58.5102 100.649 70.6039 in (null):W-9999 (20) and CB(156) at 59.822 102.23 69.755 in (null):A-9999 (22) other bump:2.30718 Ang CH2(144) at 58.2016 101.805 71.3414 in (null):W-9999 (20) and CB(156) at 59.822 102.23 69.755 in (null):A-9999 (22) other bump:2.84555 Ang CZ3(143) at 58.5102 100.649 70.6039 in (null):W-9999 (20) and CA(155) at 58.736 103.021 69.048 in (null):A-9999 (22) other bump:2.65036 Ang CH2(144) at 58.2016 101.805 71.3414 in (null):W-9999 (20) and CA(155) at 58.736 103.021 69.048 in (null):A-9999 (22) other bump:3.02238 Ang CZ3(143) at 58.5102 100.649 70.6039 in (null):W-9999 (20) and N(154) at 58.073 102.197 68.045 in (null):A-9999 (22) other bump:3.32218 Ang CH2(144) at 58.2016 101.805 71.3414 in (null):W-9999 (20) and N(154) at 58.073 102.197 68.045 in (null):A-9999 (22) neighbor-bump: 3.31087 Ang CE3(140) at 57.5193 99.7359 70.2498 in (null):W-9999 (20) and C(153) at 56.754 102.05 68.009 in (null):V-9999 (21) neighbor-bump: 2.84605 Ang CE2(139) at 55.9206 101.168 71.3691 in (null):W-9999 (20) and O(152) at 56 102.52 68.866 in (null):V-9999 (21) other bump:2.25815 Ang CG1(97) at 52.0916 98.8452 64.7737 in (null):V-9999 (14) and O(131) at 52.455 97.293 66.373 in (null):G-9999 (19) other bump:2.18475 Ang O(92) at 51.659 96.351 60.216 in (null):A-9999 (13) and OD1(116) at 50.5323 95.466 58.5666 in (null):D-9999 (16) T0147_twice 217 :ERILNVSPRRLLNFLESRG 1fwcC 257 :EDTLAAIGGRTIHTFHTEG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.63937 Ang CG(62) at 49.3493 109.108 61.388 in (null):P-9999 (8) and NH2(85) at 50.128 107.146 59.803 in (null):R-9999 (10) neighbor-bump: 2.30837 Ang O(57) at 49.177 108.315 63.015 in (null):S-9999 (7) and CD(63) at 50.0074 110.261 62.0912 in (null):P-9999 (8) self-bump: 1.30201 Ang N(59) at 48.965 110.554 62.814 in (null):P-9999 (8) and CD(63) at 50.0074 110.261 62.0912 in (null):P-9999 (8) other bump:2.09033 Ang O(51) at 51.126 109.787 60.39 in (null):V-9999 (6) and CD(63) at 50.0074 110.261 62.0912 in (null):P-9999 (8) neighbor-bump: 1.7135 Ang CA(54) at 51.175 109.64 63.181 in (null):S-9999 (7) and CD(63) at 50.0074 110.261 62.0912 in (null):P-9999 (8) neighbor-bump: 1.25372 Ang C(58) at 49.676 109.442 62.981 in (null):S-9999 (7) and CD(63) at 50.0074 110.261 62.0912 in (null):P-9999 (8) other bump:3.19347 Ang CA(47) at 51.998 112.032 60.331 in (null):V-9999 (6) and CD(63) at 50.0074 110.261 62.0912 in (null):P-9999 (8) other bump:1.92072 Ang C(52) at 51.534 110.756 61.036 in (null):V-9999 (6) and CD(63) at 50.0074 110.261 62.0912 in (null):P-9999 (8) neighbor-bump: 1.69101 Ang N(53) at 51.596 110.771 62.366 in (null):S-9999 (7) and CD(63) at 50.0074 110.261 62.0912 in (null):P-9999 (8) neighbor-bump: 1.81802 Ang O(57) at 49.177 108.315 63.015 in (null):S-9999 (7) and CG(62) at 49.3493 109.108 61.388 in (null):P-9999 (8) self-bump: 2.06721 Ang N(59) at 48.965 110.554 62.814 in (null):P-9999 (8) and CG(62) at 49.3493 109.108 61.388 in (null):P-9999 (8) other bump:2.14804 Ang O(51) at 51.126 109.787 60.39 in (null):V-9999 (6) and CG(62) at 49.3493 109.108 61.388 in (null):P-9999 (8) neighbor-bump: 2.61373 Ang CA(54) at 51.175 109.64 63.181 in (null):S-9999 (7) and CG(62) at 49.3493 109.108 61.388 in (null):P-9999 (8) neighbor-bump: 1.66022 Ang C(58) at 49.676 109.442 62.981 in (null):S-9999 (7) and CG(62) at 49.3493 109.108 61.388 in (null):P-9999 (8) other bump:2.75933 Ang C(52) at 51.534 110.756 61.036 in (null):V-9999 (6) and CG(62) at 49.3493 109.108 61.388 in (null):P-9999 (8) neighbor-bump: 2.9616 Ang N(53) at 51.596 110.771 62.366 in (null):S-9999 (7) and CG(62) at 49.3493 109.108 61.388 in (null):P-9999 (8) neighbor-bump: 2.52077 Ang C(58) at 49.676 109.442 62.981 in (null):S-9999 (7) and CB(61) at 47.9693 109.624 61.1348 in (null):P-9999 (8) T0147_twice 281 :AITDHGPDMEDAPHHWHFINMRIWPRVVDGVG 1fwcC 276 :AGGGHAPDIITACAHPNILPSSTNPTLPYTLN Fragment has 50 clashes (null) has 50 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.6974 Ang CB(228) at 64.535 110.957 86.7268 in (null):V-9999 (27) and CA(234) at 65.725 112.349 88.707 in (null):V-9999 (28) neighbor-bump: 2.34654 Ang CG1(229) at 64.2576 110.597 88.175 in (null):V-9999 (27) and CA(234) at 65.725 112.349 88.707 in (null):V-9999 (28) neighbor-bump: 2.90308 Ang CG2(230) at 63.9511 112.341 86.409 in (null):V-9999 (27) and CA(234) at 65.725 112.349 88.707 in (null):V-9999 (28) neighbor-bump: 2.36418 Ang CG1(229) at 64.2576 110.597 88.175 in (null):V-9999 (27) and N(233) at 66.521 111.129 88.603 in (null):V-9999 (28) self-bump: 2.43413 Ang CG1(229) at 64.2576 110.597 88.175 in (null):V-9999 (27) and C(232) at 66.59 110.32 87.536 in (null):V-9999 (27) self-bump: 1.32713 Ang CA(227) at 65.764 110.688 86.304 in (null):V-9999 (27) and CB(228) at 64.535 110.957 86.7268 in (null):V-9999 (27) other bump:2.90855 Ang CB(4) at 67.896 114.673 77.343 in (null):A-9999 (1) and CD(219) at 66.9355 114.275 80.0593 in (null):R-9999 (26) other bump:2.49749 Ang CB(9) at 66.688 110.137 75.2996 in (null):I-9999 (2) and CD1(191) at 67.5047 109.272 77.4957 in (null):I-9999 (23) other bump:1.17561 Ang CG1(10) at 67.2246 110.103 76.7124 in (null):I-9999 (2) and CD1(191) at 67.5047 109.272 77.4957 in (null):I-9999 (23) other bump:1.31071 Ang CD1(12) at 66.2635 109.582 77.7808 in (null):I-9999 (2) and CD1(191) at 67.5047 109.272 77.4957 in (null):I-9999 (23) other bump:2.83387 Ang CD1(12) at 66.2635 109.582 77.7808 in (null):I-9999 (2) and CG2(190) at 65.4504 106.966 77.0579 in (null):I-9999 (23) other bump:2.34818 Ang CG1(10) at 67.2246 110.103 76.7124 in (null):I-9999 (2) and CG1(189) at 66.3776 108.823 78.4893 in (null):I-9999 (23) other bump:1.04501 Ang CD1(12) at 66.2635 109.582 77.7808 in (null):I-9999 (2) and CG1(189) at 66.3776 108.823 78.4893 in (null):I-9999 (23) other bump:2.35615 Ang CD1(12) at 66.2635 109.582 77.7808 in (null):I-9999 (2) and CB(188) at 66.0287 107.333 78.443 in (null):I-9999 (23) other bump:2.79529 Ang CA(90) at 52.187 113.22 76.391 in (null):P-9999 (13) and ND2(163) at 53.2395 110.724 75.7025 in (null):N-9999 (20) neighbor-bump: 2.53878 Ang NE2(137) at 49.0016 110.765 68.4435 in (null):H-9999 (17) and CZ(148) at 51.4749 111.308 68.6276 in (null):F-9999 (18) neighbor-bump: 2.73442 Ang NE2(137) at 49.0016 110.765 68.4435 in (null):H-9999 (17) and CE2(147) at 51.0364 112.086 69.705 in (null):F-9999 (18) other bump:3.06676 Ang CB(108) at 48.342 112.783 71.789 in (null):H-9999 (15) and CD2(145) at 51.0257 111.515 71.0176 in (null):F-9999 (18) neighbor-bump: 2.43563 Ang CA(85) at 53.403 114.441 72.96 in (null):A-9999 (12) and CD(93) at 54.1055 114.329 75.2894 in (null):P-9999 (13) neighbor-bump: 2.09945 Ang C(88) at 52.549 113.732 74.013 in (null):A-9999 (12) and CD(93) at 54.1055 114.329 75.2894 in (null):P-9999 (13) self-bump: 1.27687 Ang N(89) at 52.913 113.872 75.289 in (null):P-9999 (13) and CD(93) at 54.1055 114.329 75.2894 in (null):P-9999 (13) other bump:2.86875 Ang C(83) at 53.349 116.698 73.86 in (null):D-9999 (11) and CD(93) at 54.1055 114.329 75.2894 in (null):P-9999 (13) neighbor-bump: 2.23483 Ang N(84) at 54.053 115.635 73.477 in (null):A-9999 (12) and CD(93) at 54.1055 114.329 75.2894 in (null):P-9999 (13) other bump:2.33891 Ang O(74) at 55.284 116.134 76.196 in (null):E-9999 (10) and CD(93) at 54.1055 114.329 75.2894 in (null):P-9999 (13) other bump:3.12059 Ang C(75) at 56.033 116.777 75.456 in (null):E-9999 (10) and CD(93) at 54.1055 114.329 75.2894 in (null):P-9999 (13) self-bump: 2.15083 Ang N(89) at 52.913 113.872 75.289 in (null):P-9999 (13) and CG(92) at 54.5654 113.885 76.6657 in (null):P-9999 (13) other bump:2.407 Ang O(74) at 55.284 116.134 76.196 in (null):E-9999 (10) and CG(92) at 54.5654 113.885 76.6657 in (null):P-9999 (13) other bump:1.85085 Ang CA(23) at 63.296 114.297 69.596 in (null):D-9999 (4) and CE(64) at 62.8468 114.886 71.2923 in (null):M-9999 (9) other bump:1.5067 Ang CB(24) at 62.277 113.716 70.5321 in (null):D-9999 (4) and CE(64) at 62.8468 114.886 71.2923 in (null):M-9999 (9) other bump:1.11022 Ang CG(25) at 62.5856 114.053 71.9788 in (null):D-9999 (4) and CE(64) at 62.8468 114.886 71.2923 in (null):M-9999 (9) other bump:2.34092 Ang OD2(27) at 62.032 113.363 72.8731 in (null):D-9999 (4) and CE(64) at 62.8468 114.886 71.2923 in (null):M-9999 (9) other bump:2.22658 Ang C(29) at 63.22 115.774 69.285 in (null):D-9999 (4) and CE(64) at 62.8468 114.886 71.2923 in (null):M-9999 (9) other bump:2.79005 Ang C(21) at 64.836 112.969 70.9 in (null):T-9999 (3) and CE(64) at 62.8468 114.886 71.2923 in (null):M-9999 (9) other bump:2.49596 Ang N(22) at 64.635 113.828 69.909 in (null):D-9999 (4) and CE(64) at 62.8468 114.886 71.2923 in (null):M-9999 (9) other bump:1.10595 Ang OD1(26) at 63.4012 114.974 72.2451 in (null):D-9999 (4) and CE(64) at 62.8468 114.886 71.2923 in (null):M-9999 (9) other bump:2.79327 Ang CA(23) at 63.296 114.297 69.596 in (null):D-9999 (4) and SD(63) at 61.5916 113.703 71.7277 in (null):M-9999 (9) other bump:1.37829 Ang CB(24) at 62.277 113.716 70.5321 in (null):D-9999 (4) and SD(63) at 61.5916 113.703 71.7277 in (null):M-9999 (9) other bump:1.08336 Ang CG(25) at 62.5856 114.053 71.9788 in (null):D-9999 (4) and SD(63) at 61.5916 113.703 71.7277 in (null):M-9999 (9) other bump:1.27319 Ang OD2(27) at 62.032 113.363 72.8731 in (null):D-9999 (4) and SD(63) at 61.5916 113.703 71.7277 in (null):M-9999 (9) other bump:2.61373 Ang O(20) at 63.919 112.521 71.595 in (null):T-9999 (3) and SD(63) at 61.5916 113.703 71.7277 in (null):M-9999 (9) other bump:2.27105 Ang OD1(26) at 63.4012 114.974 72.2451 in (null):D-9999 (4) and SD(63) at 61.5916 113.703 71.7277 in (null):M-9999 (9) other bump:2.50917 Ang CB(24) at 62.277 113.716 70.5321 in (null):D-9999 (4) and CG(62) at 60.0682 114.6 71.3299 in (null):M-9999 (9) other bump:2.65644 Ang CG(25) at 62.5856 114.053 71.9788 in (null):D-9999 (4) and CG(62) at 60.0682 114.6 71.3299 in (null):M-9999 (9) other bump:2.78672 Ang OD2(27) at 62.032 113.363 72.8731 in (null):D-9999 (4) and CG(62) at 60.0682 114.6 71.3299 in (null):M-9999 (9) neighbor-bump: 2.06705 Ang O(20) at 63.919 112.521 71.595 in (null):T-9999 (3) and CG(25) at 62.5856 114.053 71.9788 in (null):D-9999 (4) neighbor-bump: 2.72094 Ang C(21) at 64.836 112.969 70.9 in (null):T-9999 (3) and CG(25) at 62.5856 114.053 71.9788 in (null):D-9999 (4) neighbor-bump: 2.2922 Ang O(20) at 63.919 112.521 71.595 in (null):T-9999 (3) and CB(24) at 62.277 113.716 70.5321 in (null):D-9999 (4) neighbor-bump: 2.69107 Ang C(21) at 64.836 112.969 70.9 in (null):T-9999 (3) and CB(24) at 62.277 113.716 70.5321 in (null):D-9999 (4) neighbor-bump: 2.77316 Ang C(14) at 67.325 111.31 72.933 in (null):I-9999 (2) and CG2(18) at 68.1347 111.024 70.2962 in (null):T-9999 (3) neighbor-bump: 2.01312 Ang O(13) at 67.673 110.419 72.16 in (null):I-9999 (2) and CG2(18) at 68.1347 111.024 70.2962 in (null):T-9999 (3) T0147_twice 357 :TNTQAMIATIASG 1fwcC 308 :TIDEHLDMLMVAH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0147_twice 381 :KYEIDVKAVAEAAAKHQ 1fwcC 321 :HLDPDIAEDVAFAESRI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.10717 Ang O(93) at 71.193 118.799 69.582 in (null):A-9999 (12) and CD2(118) at 69.7617 117.423 70.2874 in (null):H-9999 (16) other bump:2.75835 Ang CB(13) at 77.7285 114.234 67.3477 in (null):Y-9999 (2) and CG1(72) at 78.1965 116.724 66.2583 in (null):V-9999 (9) other bump:2.97126 Ang N(23) at 80.473 114.875 65.783 in (null):E-9999 (3) and CG1(72) at 78.1965 116.724 66.2583 in (null):V-9999 (9) other bump:3.05124 Ang C(1) at 76.242 109.8 67.119 in (null):G-9999 (0) and CE1(17) at 74.4745 112.277 67.3481 in (null):Y-9999 (2) T0147_twice 415 :EDNCREVAAAVRDAGGWVALGSDSHTAFTMGE 1fwcC 338 :RRETIAAEDVLHDLGAFSLTSSDSQAMGRVGE Fragment has 82 clashes (null) has 82 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:1.47056 Ang OG(155) at 67.953 100.447 79.444 in (null):S-9999 (22) and CE(217) at 69.3494 100.112 79.1272 in (null):M-9999 (30) other bump:2.35111 Ang CB(154) at 67.937 101.313 80.573 in (null):S-9999 (22) and CE(217) at 69.3494 100.112 79.1272 in (null):M-9999 (30) other bump:2.40323 Ang N(166) at 69.941 101.536 77.284 in (null):S-9999 (24) and CE(217) at 69.3494 100.112 79.1272 in (null):M-9999 (30) other bump:2.5675 Ang CA(167) at 71.23 100.898 77.566 in (null):S-9999 (24) and CE(217) at 69.3494 100.112 79.1272 in (null):M-9999 (30) other bump:2.36118 Ang CB(168) at 71.051 99.384 77.661 in (null):S-9999 (24) and CE(217) at 69.3494 100.112 79.1272 in (null):M-9999 (30) other bump:2.22737 Ang CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) and CE(217) at 69.3494 100.112 79.1272 in (null):M-9999 (30) other bump:2.47212 Ang CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) and CE(217) at 69.3494 100.112 79.1272 in (null):M-9999 (30) other bump:2.84378 Ang OG(155) at 67.953 100.447 79.444 in (null):S-9999 (22) and SD(216) at 69.9559 98.5272 78.8196 in (null):M-9999 (30) other bump:2.96905 Ang CA(167) at 71.23 100.898 77.566 in (null):S-9999 (24) and SD(216) at 69.9559 98.5272 78.8196 in (null):M-9999 (30) other bump:1.80985 Ang CB(168) at 71.051 99.384 77.661 in (null):S-9999 (24) and SD(216) at 69.9559 98.5272 78.8196 in (null):M-9999 (30) other bump:2.31726 Ang OG(169) at 70.327 98.876 76.559 in (null):S-9999 (24) and SD(216) at 69.9559 98.5272 78.8196 in (null):M-9999 (30) other bump:3.2191 Ang CA(167) at 71.23 100.898 77.566 in (null):S-9999 (24) and CG(215) at 71.5764 98.4943 79.6791 in (null):M-9999 (30) other bump:2.26718 Ang CB(168) at 71.051 99.384 77.661 in (null):S-9999 (24) and CG(215) at 71.5764 98.4943 79.6791 in (null):M-9999 (30) other bump:2.39203 Ang CA(159) at 68.354 103.298 76.78 in (null):D-9999 (23) and CZ(202) at 70.0892 101.802 76.0913 in (null):F-9999 (28) other bump:2.60051 Ang O(170) at 72.48 100.964 75.505 in (null):S-9999 (24) and CZ(202) at 70.0892 101.802 76.0913 in (null):F-9999 (28) other bump:1.23103 Ang N(166) at 69.941 101.536 77.284 in (null):S-9999 (24) and CZ(202) at 70.0892 101.802 76.0913 in (null):F-9999 (28) other bump:2.07222 Ang CA(167) at 71.23 100.898 77.566 in (null):S-9999 (24) and CZ(202) at 70.0892 101.802 76.0913 in (null):F-9999 (28) other bump:2.50039 Ang C(171) at 72.445 101.235 76.708 in (null):S-9999 (24) and CZ(202) at 70.0892 101.802 76.0913 in (null):F-9999 (28) other bump:2.02122 Ang O(164) at 70.755 103.58 76.786 in (null):D-9999 (23) and CZ(202) at 70.0892 101.802 76.0913 in (null):F-9999 (28) other bump:1.36413 Ang C(165) at 69.804 102.82 76.954 in (null):D-9999 (23) and CZ(202) at 70.0892 101.802 76.0913 in (null):F-9999 (28) other bump:2.90725 Ang OG(155) at 67.953 100.447 79.444 in (null):S-9999 (22) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:2.49072 Ang N(158) at 67.724 102.765 78 in (null):D-9999 (23) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:2.39581 Ang CA(159) at 68.354 103.298 76.78 in (null):D-9999 (23) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:0.232398 Ang N(166) at 69.941 101.536 77.284 in (null):S-9999 (24) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:1.58577 Ang CA(167) at 71.23 100.898 77.566 in (null):S-9999 (24) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:2.45741 Ang CB(168) at 71.051 99.384 77.661 in (null):S-9999 (24) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:2.77162 Ang OG(169) at 70.327 98.876 76.559 in (null):S-9999 (24) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:2.7857 Ang C(171) at 72.445 101.235 76.708 in (null):S-9999 (24) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:2.42672 Ang O(164) at 70.755 103.58 76.786 in (null):D-9999 (23) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:1.43591 Ang C(165) at 69.804 102.82 76.954 in (null):D-9999 (23) and CE2(201) at 69.7549 101.455 77.3973 in (null):F-9999 (28) other bump:2.83509 Ang CG(161) at 68.62 105.373 75.284 in (null):D-9999 (23) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:2.41224 Ang OD1(162) at 68.946 104.58 74.377 in (null):D-9999 (23) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:2.19766 Ang CA(159) at 68.354 103.298 76.78 in (null):D-9999 (23) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:2.78571 Ang CB(160) at 68.292 104.835 76.689 in (null):D-9999 (23) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:2.23669 Ang N(166) at 69.941 101.536 77.284 in (null):S-9999 (24) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:3.02333 Ang CA(167) at 71.23 100.898 77.566 in (null):S-9999 (24) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:3.02239 Ang C(171) at 72.445 101.235 76.708 in (null):S-9999 (24) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:1.20928 Ang O(164) at 70.755 103.58 76.786 in (null):D-9999 (23) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:1.32815 Ang C(165) at 69.804 102.82 76.954 in (null):D-9999 (23) and CE1(200) at 70.294 103.135 75.7604 in (null):F-9999 (28) other bump:3.00037 Ang CB(154) at 67.937 101.313 80.573 in (null):S-9999 (22) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:3.21973 Ang CA(153) at 67.07 102.556 80.321 in (null):S-9999 (22) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:2.31131 Ang C(157) at 67.676 103.372 79.19 in (null):S-9999 (22) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:1.96872 Ang N(158) at 67.724 102.765 78 in (null):D-9999 (23) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:2.21096 Ang CA(159) at 68.354 103.298 76.78 in (null):D-9999 (23) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:1.45438 Ang N(166) at 69.941 101.536 77.284 in (null):S-9999 (24) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:2.36924 Ang CA(167) at 71.23 100.898 77.566 in (null):S-9999 (24) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:2.24933 Ang O(164) at 70.755 103.58 76.786 in (null):D-9999 (23) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:1.47653 Ang C(165) at 69.804 102.82 76.954 in (null):D-9999 (23) and CD2(199) at 69.6311 102.449 78.3727 in (null):F-9999 (28) other bump:2.46705 Ang CG(161) at 68.62 105.373 75.284 in (null):D-9999 (23) and CD1(198) at 70.1693 104.124 76.742 in (null):F-9999 (28) other bump:2.70145 Ang OD1(162) at 68.946 104.58 74.377 in (null):D-9999 (23) and CD1(198) at 70.1693 104.124 76.742 in (null):F-9999 (28) other bump:1.99474 Ang CA(159) at 68.354 103.298 76.78 in (null):D-9999 (23) and CD1(198) at 70.1693 104.124 76.742 in (null):F-9999 (28) other bump:2.00816 Ang CB(160) at 68.292 104.835 76.689 in (null):D-9999 (23) and CD1(198) at 70.1693 104.124 76.742 in (null):F-9999 (28) other bump:2.65392 Ang N(166) at 69.941 101.536 77.284 in (null):S-9999 (24) and CD1(198) at 70.1693 104.124 76.742 in (null):F-9999 (28) other bump:0.800519 Ang O(164) at 70.755 103.58 76.786 in (null):D-9999 (23) and CD1(198) at 70.1693 104.124 76.742 in (null):F-9999 (28) other bump:1.37064 Ang C(165) at 69.804 102.82 76.954 in (null):D-9999 (23) and CD1(198) at 70.1693 104.124 76.742 in (null):F-9999 (28) other bump:2.35681 Ang O(156) at 68.05 104.523 79.399 in (null):S-9999 (22) and CG(197) at 69.8391 103.787 78.0529 in (null):F-9999 (28) other bump:2.47883 Ang C(157) at 67.676 103.372 79.19 in (null):S-9999 (22) and CG(197) at 69.8391 103.787 78.0529 in (null):F-9999 (28) other bump:2.34977 Ang N(158) at 67.724 102.765 78 in (null):D-9999 (23) and CG(197) at 69.8391 103.787 78.0529 in (null):F-9999 (28) other bump:2.01621 Ang CA(159) at 68.354 103.298 76.78 in (null):D-9999 (23) and CG(197) at 69.8391 103.787 78.0529 in (null):F-9999 (28) other bump:2.31338 Ang CB(160) at 68.292 104.835 76.689 in (null):D-9999 (23) and CG(197) at 69.8391 103.787 78.0529 in (null):F-9999 (28) other bump:2.38101 Ang N(166) at 69.941 101.536 77.284 in (null):S-9999 (24) and CG(197) at 69.8391 103.787 78.0529 in (null):F-9999 (28) other bump:1.57691 Ang O(164) at 70.755 103.58 76.786 in (null):D-9999 (23) and CG(197) at 69.8391 103.787 78.0529 in (null):F-9999 (28) other bump:1.46428 Ang C(165) at 69.804 102.82 76.954 in (null):D-9999 (23) and CG(197) at 69.8391 103.787 78.0529 in (null):F-9999 (28) other bump:1.75124 Ang O(156) at 68.05 104.523 79.399 in (null):S-9999 (22) and CB(196) at 69.7484 104.839 79.1123 in (null):F-9999 (28) other bump:2.54045 Ang C(157) at 67.676 103.372 79.19 in (null):S-9999 (22) and CB(196) at 69.7484 104.839 79.1123 in (null):F-9999 (28) other bump:3.10455 Ang N(158) at 67.724 102.765 78 in (null):D-9999 (23) and CB(196) at 69.7484 104.839 79.1123 in (null):F-9999 (28) other bump:3.12404 Ang CA(159) at 68.354 103.298 76.78 in (null):D-9999 (23) and CB(196) at 69.7484 104.839 79.1123 in (null):F-9999 (28) other bump:2.82727 Ang CB(160) at 68.292 104.835 76.689 in (null):D-9999 (23) and CB(196) at 69.7484 104.839 79.1123 in (null):F-9999 (28) other bump:2.95617 Ang C(165) at 69.804 102.82 76.954 in (null):D-9999 (23) and CB(196) at 69.7484 104.839 79.1123 in (null):F-9999 (28) other bump:2.97 Ang CA(61) at 59.792 115.48 83.514 in (null):A-9999 (8) and CH2(125) at 60.3248 113.186 81.7045 in (null):W-9999 (17) other bump:2.16702 Ang CB(62) at 61.041 114.893 82.831 in (null):A-9999 (8) and CH2(125) at 60.3248 113.186 81.7045 in (null):W-9999 (17) other bump:2.6069 Ang NE(87) at 60.0424 109.925 83.9954 in (null):R-9999 (12) and CZ3(124) at 60.1539 112.114 82.5834 in (null):W-9999 (17) other bump:2.9266 Ang CZ(88) at 61.3568 109.818 83.943 in (null):R-9999 (12) and CZ3(124) at 60.1539 112.114 82.5834 in (null):W-9999 (17) other bump:2.928 Ang CB(62) at 61.041 114.893 82.831 in (null):A-9999 (8) and CZ3(124) at 60.1539 112.114 82.5834 in (null):W-9999 (17) other bump:2.87802 Ang NH2(90) at 61.9764 109.894 82.7701 in (null):R-9999 (12) and CZ3(124) at 60.1539 112.114 82.5834 in (null):W-9999 (17) other bump:2.90211 Ang CB(62) at 61.041 114.893 82.831 in (null):A-9999 (8) and CZ2(123) at 59.2916 113.618 80.8978 in (null):W-9999 (17) other bump:3.10808 Ang CG1(78) at 54.8702 114.107 82.4623 in (null):V-9999 (11) and NE1(122) at 56.9214 113.177 80.3207 in (null):W-9999 (17) other bump:2.30454 Ang NE(87) at 60.0424 109.925 83.9954 in (null):R-9999 (12) and CE3(121) at 58.9404 111.456 82.6714 in (null):W-9999 (17) other bump:3.18413 Ang CZ(88) at 61.3568 109.818 83.943 in (null):R-9999 (12) and CE3(121) at 58.9404 111.456 82.6714 in (null):W-9999 (17) other bump:2.91443 Ang CG(85) at 57.8805 110.25 85.1036 in (null):R-9999 (12) and CE3(121) at 58.9404 111.456 82.6714 in (null):W-9999 (17) other bump:3.06672 Ang CD(86) at 59.3315 109.888 85.2778 in (null):R-9999 (12) and CE3(121) at 58.9404 111.456 82.6714 in (null):W-9999 (17) other bump:2.72853 Ang CG1(78) at 54.8702 114.107 82.4623 in (null):V-9999 (11) and CD1(118) at 55.99 112.323 80.7285 in (null):W-9999 (17) Number of specific fragments= 10 total=656 Number of alignments=56 # 1gdeA read from T0147_twice.t2k-2track-undertaker.a2m # found chain 1gdeA in template set T0147_twice 137 :YEIDVKAVAEAAAKHQVALEINNSS 1gdeA 11 :SASEIRKLFDIAAGMKDVISLGIGE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.42065 Ang OE2(150) at 40.3836 1.92234 15.5933 in (null):E-9999 (20) and OD1(174) at 38.1007 2.72141 15.4962 in (null):N-9999 (23) other bump:2.57436 Ang CD(148) at 41.5367 1.47148 15.7382 in (null):E-9999 (20) and ND2(173) at 39.6045 1.78664 14.0666 in (null):N-9999 (23) other bump:1.71939 Ang OE2(150) at 40.3836 1.92234 15.5933 in (null):E-9999 (20) and ND2(173) at 39.6045 1.78664 14.0666 in (null):N-9999 (23) other bump:2.20209 Ang OE2(150) at 40.3836 1.92234 15.5933 in (null):E-9999 (20) and CG(172) at 38.4056 1.89696 14.6257 in (null):N-9999 (23) neighbor-bump: 2.63322 Ang C(123) at 52.703 5.038 13.884 in (null):Q-9999 (16) and CB(126) at 53.5917 4.62827 11.4394 in (null):V-9999 (17) other bump:2.28896 Ang O(84) at 49.961 1.462 21.523 in (null):A-9999 (11) and CD2(109) at 51.5902 0.892592 20.0194 in (null):H-9999 (15) other bump:3.04701 Ang C(85) at 49.055 0.642 21.691 in (null):A-9999 (11) and CD2(109) at 51.5902 0.892592 20.0194 in (null):H-9999 (15) other bump:2.26129 Ang NZ(52) at 41.3783 -0.197894 29.5967 in (null):K-9999 (6) and OE2(78) at 43.3558 0.32387 28.6319 in (null):E-9999 (10) T0147_twice 165 :SRKGSEDNCREVAAAVRDAGGW 1gdeA 36 :PDFDTPQHIKEYAKEALDKGLT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0147_twice 194 :HTAFTMGEFEECLKILDAVDF 1gdeA 58 :HYGPNIGLLELREAIAEKLKK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.9251 Ang CE2(70) at 1.25408 7.57602 17.9348 in (null):F-9999 (9) and CD1(102) at 2.57902 6.90389 15.4151 in (null):L-9999 (13) T0147_twice 219 :I 1gdeA 79 :Q Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 285 :H 1gdeA 80 :N Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 316 :GIEANIKNVDGEIDCSGKMFDSLDLIIAGFHEPVFAPHDKA 1gdeA 81 :GIEADPKTEIMVLLGANQAFLMGLSAFLKDGEEVLIPTPAF Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.00967 Ang CB(274) at 25.897 -18.787 18.297 in (null):P-9999 (37) and NZ(303) at 25.8835 -16.8779 17.6693 in (null):K-9999 (40) other bump:2.18621 Ang CB(274) at 25.897 -18.787 18.297 in (null):P-9999 (37) and CE(302) at 27.0007 -16.9329 18.6487 in (null):K-9999 (40) other bump:2.61658 Ang N(272) at 26.086 -18.43 20.59 in (null):P-9999 (37) and CE(302) at 27.0007 -16.9329 18.6487 in (null):K-9999 (40) other bump:2.20356 Ang CA(273) at 26.851 -18.973 19.468 in (null):P-9999 (37) and CE(302) at 27.0007 -16.9329 18.6487 in (null):K-9999 (40) other bump:1.18414 Ang O(277) at 28.006 -16.891 19.273 in (null):P-9999 (37) and CE(302) at 27.0007 -16.9329 18.6487 in (null):K-9999 (40) other bump:1.73201 Ang C(278) at 28.092 -18.114 19.292 in (null):P-9999 (37) and CE(302) at 27.0007 -16.9329 18.6487 in (null):K-9999 (40) other bump:1.44789 Ang O(277) at 28.006 -16.891 19.273 in (null):P-9999 (37) and CD(301) at 27.6704 -15.5815 18.7544 in (null):K-9999 (40) other bump:2.62305 Ang C(278) at 28.092 -18.114 19.292 in (null):P-9999 (37) and CD(301) at 27.6704 -15.5815 18.7544 in (null):K-9999 (40) other bump:1.60065 Ang O(277) at 28.006 -16.891 19.273 in (null):P-9999 (37) and CG(300) at 28.7181 -15.5719 19.8342 in (null):K-9999 (40) other bump:2.67364 Ang C(278) at 28.092 -18.114 19.292 in (null):P-9999 (37) and CG(300) at 28.7181 -15.5719 19.8342 in (null):K-9999 (40) other bump:3.14888 Ang CA(280) at 30.51 -18.038 19.045 in (null):H-9999 (38) and CG(300) at 28.7181 -15.5719 19.8342 in (null):K-9999 (40) neighbor-bump: 3.16869 Ang CG(282) at 32.761 -17.9197 20.3598 in (null):H-9999 (38) and CA(290) at 32.52 -16.254 17.675 in (null):D-9999 (39) neighbor-bump: 2.92533 Ang CD2(283) at 33.9001 -17.9374 19.6292 in (null):H-9999 (38) and CA(290) at 32.52 -16.254 17.675 in (null):D-9999 (39) neighbor-bump: 2.94065 Ang C(194) at 12.723 -10.119 32.49 in (null):I-9999 (26) and CG1(198) at 11.4684 -12.214 30.8516 in (null):I-9999 (27) other bump:2.66427 Ang O(155) at 19.485 -6.764 30.877 in (null):D-9999 (21) and CD1(183) at 19.4655 -5.44177 33.1899 in (null):L-9999 (25) other bump:2.85493 Ang OD2(154) at 22.1214 -4.54983 32.641 in (null):D-9999 (21) and CD1(183) at 19.4655 -5.44177 33.1899 in (null):L-9999 (25) other bump:2.39924 Ang O(155) at 19.485 -6.764 30.877 in (null):D-9999 (21) and CG(182) at 18.9902 -6.8775 33.2219 in (null):L-9999 (25) other bump:2.68087 Ang SD(134) at 16.1976 -5.06894 23.4824 in (null):M-9999 (19) and CD2(168) at 14.6329 -6.16326 25.3642 in (null):L-9999 (23) other bump:1.80899 Ang SD(134) at 16.1976 -5.06894 23.4824 in (null):M-9999 (19) and CD1(167) at 16.5747 -6.78158 23.9263 in (null):L-9999 (23) other bump:2.13997 Ang CG(133) at 17.8699 -5.45987 22.8516 in (null):M-9999 (19) and CD1(167) at 16.5747 -6.78158 23.9263 in (null):L-9999 (23) other bump:2.29299 Ang SD(134) at 16.1976 -5.06894 23.4824 in (null):M-9999 (19) and CG(166) at 16.1336 -6.42662 25.3291 in (null):L-9999 (23) other bump:2.50439 Ang O(136) at 18.542 -6.091 25.928 in (null):M-9999 (19) and CG(166) at 16.1336 -6.42662 25.3291 in (null):L-9999 (23) other bump:2.56867 Ang O(136) at 18.542 -6.091 25.928 in (null):M-9999 (19) and CB(165) at 16.4733 -7.56962 26.2914 in (null):L-9999 (23) other bump:1.74964 Ang N(97) at 19.254 3.92 23.973 in (null):D-9999 (14) and NZ(127) at 20.8913 3.57384 24.4836 in (null):K-9999 (18) other bump:1.37536 Ang CA(98) at 20.497 4.696 23.793 in (null):D-9999 (14) and NZ(127) at 20.8913 3.57384 24.4836 in (null):K-9999 (18) other bump:1.64182 Ang CB(99) at 20.7491 4.95291 25.3631 in (null):D-9999 (14) and NZ(127) at 20.8913 3.57384 24.4836 in (null):K-9999 (18) other bump:1.71605 Ang O(103) at 22.438 3.249 23.815 in (null):D-9999 (14) and NZ(127) at 20.8913 3.57384 24.4836 in (null):K-9999 (18) other bump:1.46013 Ang C(104) at 21.499 3.72 23.164 in (null):D-9999 (14) and NZ(127) at 20.8913 3.57384 24.4836 in (null):K-9999 (18) other bump:2.01324 Ang N(97) at 19.254 3.92 23.973 in (null):D-9999 (14) and CE(126) at 20.0606 3.06345 25.6066 in (null):K-9999 (18) other bump:2.47891 Ang CA(98) at 20.497 4.696 23.793 in (null):D-9999 (14) and CE(126) at 20.0606 3.06345 25.6066 in (null):K-9999 (18) other bump:2.02568 Ang CB(99) at 20.7491 4.95291 25.3631 in (null):D-9999 (14) and CE(126) at 20.0606 3.06345 25.6066 in (null):K-9999 (18) other bump:2.90973 Ang C(104) at 21.499 3.72 23.164 in (null):D-9999 (14) and CE(126) at 20.0606 3.06345 25.6066 in (null):K-9999 (18) other bump:2.88378 Ang CB(99) at 20.7491 4.95291 25.3631 in (null):D-9999 (14) and CD(125) at 20.8914 2.39733 26.6916 in (null):K-9999 (18) other bump:2.24396 Ang CG2(93) at 19.102 1.15558 23.7569 in (null):I-9999 (13) and O(109) at 20.815 0.836 22.343 in (null):C-9999 (15) neighbor-bump: 2.17239 Ang O(103) at 22.438 3.249 23.815 in (null):D-9999 (14) and SG(108) at 24.0094 1.93212 23.0967 in (null):C-9999 (15) T0147_twice 359 :TQAMIATIASGNVHIISHPGNPKY 1gdeA 122 :VSYAPAVILAGGKPVEVPTYEEDE Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:1.52664 Ang O(29) at 27.791 -12.317 29.986 in (null):M-9999 (4) and NE2(96) at 28.075 -13.3877 31.0365 in (null):H-9999 (14) other bump:2.5369 Ang C(30) at 28.38 -11.964 28.959 in (null):M-9999 (4) and NE2(96) at 28.075 -13.3877 31.0365 in (null):H-9999 (14) other bump:2.85102 Ang CB(53) at 28.164 -12.162 33.609 in (null):I-9999 (8) and NE2(96) at 28.075 -13.3877 31.0365 in (null):H-9999 (14) other bump:2.62298 Ang CD1(56) at 30.228 -13.246 32.528 in (null):I-9999 (8) and NE2(96) at 28.075 -13.3877 31.0365 in (null):H-9999 (14) other bump:1.99918 Ang CG1(54) at 28.759 -13.39 32.915 in (null):I-9999 (8) and NE2(96) at 28.075 -13.3877 31.0365 in (null):H-9999 (14) other bump:2.44362 Ang CA(24) at 28.4 -12.885 27.73 in (null):M-9999 (4) and CE1(95) at 27.3716 -13.079 29.9382 in (null):H-9999 (14) other bump:0.871135 Ang O(29) at 27.791 -12.317 29.986 in (null):M-9999 (4) and CE1(95) at 27.3716 -13.079 29.9382 in (null):H-9999 (14) other bump:1.79414 Ang C(30) at 28.38 -11.964 28.959 in (null):M-9999 (4) and CE1(95) at 27.3716 -13.079 29.9382 in (null):H-9999 (14) other bump:2.02809 Ang OG1(48) at 25.5837 -14.0095 29.713 in (null):T-9999 (7) and CE1(95) at 27.3716 -13.079 29.9382 in (null):H-9999 (14) other bump:2.88471 Ang N(51) at 26.021 -12.287 32.361 in (null):I-9999 (8) and CE1(95) at 27.3716 -13.079 29.9382 in (null):H-9999 (14) other bump:2.26069 Ang CA(24) at 28.4 -12.885 27.73 in (null):M-9999 (4) and ND1(94) at 27.2216 -14.1542 29.183 in (null):H-9999 (14) other bump:2.08432 Ang O(29) at 27.791 -12.317 29.986 in (null):M-9999 (4) and ND1(94) at 27.2216 -14.1542 29.183 in (null):H-9999 (14) other bump:2.48779 Ang C(30) at 28.38 -11.964 28.959 in (null):M-9999 (4) and ND1(94) at 27.2216 -14.1542 29.183 in (null):H-9999 (14) other bump:1.7276 Ang OG1(48) at 25.5837 -14.0095 29.713 in (null):T-9999 (7) and ND1(94) at 27.2216 -14.1542 29.183 in (null):H-9999 (14) other bump:2.99465 Ang CG(26) at 30.166 -14.4639 28.7334 in (null):M-9999 (4) and ND1(94) at 27.2216 -14.1542 29.183 in (null):H-9999 (14) other bump:2.88635 Ang CG(26) at 30.166 -14.4639 28.7334 in (null):M-9999 (4) and CD2(93) at 28.3661 -14.7264 30.9744 in (null):H-9999 (14) other bump:2.8411 Ang CD1(56) at 30.228 -13.246 32.528 in (null):I-9999 (8) and CD2(93) at 28.3661 -14.7264 30.9744 in (null):H-9999 (14) other bump:2.38876 Ang CG1(54) at 28.759 -13.39 32.915 in (null):I-9999 (8) and CD2(93) at 28.3661 -14.7264 30.9744 in (null):H-9999 (14) other bump:3.15996 Ang CA(24) at 28.4 -12.885 27.73 in (null):M-9999 (4) and CG(92) at 27.8356 -15.1886 29.8181 in (null):H-9999 (14) other bump:2.67073 Ang CG(26) at 30.166 -14.4639 28.7334 in (null):M-9999 (4) and CG(92) at 27.8356 -15.1886 29.8181 in (null):H-9999 (14) T0147_twice 383 :EIDVKAVAEAAAKHQVALEINNSSFLHSRKGSEDNCREVAAAVRDAGGWVAL 1gdeA 147 :RLNVDELKKYVTDKTRALIINSPCNPTGAVLTKKDLEEIADFVVEHDLIVIS Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:2.59987 Ang CD1(146) at 18.599 -15.751 15.773 in (null):I-9999 (20) and CD1(384) at 18.5437 -13.2372 15.1118 in (null):L-9999 (52) other bump:2.64645 Ang CG1(144) at 19.502 -15.06 16.774 in (null):I-9999 (20) and CD1(384) at 18.5437 -13.2372 15.1118 in (null):L-9999 (52) other bump:2.79534 Ang O(117) at 15.317 -18.707 27.719 in (null):V-9999 (16) and CE3(361) at 13.0313 -17.3835 28.6343 in (null):W-9999 (49) other bump:1.83111 Ang OG(239) at 19.6973 -21.053 6.07242 in (null):S-9999 (32) and OD1(255) at 18.6787 -22.4925 5.57936 in (null):D-9999 (34) other bump:3.08507 Ang CG(160) at 21.6069 -13.5639 10.0576 in (null):N-9999 (22) and N(232) at 22.694 -16.105 8.687 in (null):G-9999 (31) other bump:2.70834 Ang N(11) at 25.443 -20.781 12.576 in (null):I-9999 (2) and NH2(220) at 26.4228 -18.5275 13.7149 in (null):R-9999 (29) other bump:2.34209 Ang C(10) at 26.222 -21.235 11.597 in (null):E-9999 (1) and NH1(219) at 25.3483 -19.0683 11.7623 in (null):R-9999 (29) other bump:1.89852 Ang N(11) at 25.443 -20.781 12.576 in (null):I-9999 (2) and NH1(219) at 25.3483 -19.0683 11.7623 in (null):R-9999 (29) other bump:2.11979 Ang CA(3) at 26.539 -20.256 10.472 in (null):E-9999 (1) and NH1(219) at 25.3483 -19.0683 11.7623 in (null):R-9999 (29) other bump:2.71917 Ang C(10) at 26.222 -21.235 11.597 in (null):E-9999 (1) and CZ(218) at 26.4392 -18.6426 12.3883 in (null):R-9999 (29) other bump:2.36654 Ang N(11) at 25.443 -20.781 12.576 in (null):I-9999 (2) and CZ(218) at 26.4392 -18.6426 12.3883 in (null):R-9999 (29) other bump:2.88745 Ang C(1) at 28.808 -19.622 11.059 in (null):G-9999 (0) and CZ(218) at 26.4392 -18.6426 12.3883 in (null):R-9999 (29) other bump:2.50701 Ang CA(3) at 26.539 -20.256 10.472 in (null):E-9999 (1) and CZ(218) at 26.4392 -18.6426 12.3883 in (null):R-9999 (29) other bump:2.04482 Ang O(0) at 28.425 -18.911 11.981 in (null):G-9999 (0) and CZ(218) at 26.4392 -18.6426 12.3883 in (null):R-9999 (29) other bump:1.87277 Ang C(1) at 28.808 -19.622 11.059 in (null):G-9999 (0) and NE(217) at 27.5551 -18.3847 11.6968 in (null):R-9999 (29) other bump:2.41765 Ang N(2) at 27.974 -20.291 10.27 in (null):E-9999 (1) and NE(217) at 27.5551 -18.3847 11.6968 in (null):R-9999 (29) other bump:2.45647 Ang CA(3) at 26.539 -20.256 10.472 in (null):E-9999 (1) and NE(217) at 27.5551 -18.3847 11.6968 in (null):R-9999 (29) other bump:1.05565 Ang O(0) at 28.425 -18.911 11.981 in (null):G-9999 (0) and NE(217) at 27.5551 -18.3847 11.6968 in (null):R-9999 (29) other bump:2.84992 Ang CB(4) at 25.6955 -20.3547 9.27028 in (null):E-9999 (1) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:2.70491 Ang CG(5) at 25.879 -19.1733 8.32721 in (null):E-9999 (1) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:1.751 Ang C(1) at 28.808 -19.622 11.059 in (null):G-9999 (0) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:1.7597 Ang N(2) at 27.974 -20.291 10.27 in (null):E-9999 (1) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:2.05687 Ang CA(3) at 26.539 -20.256 10.472 in (null):E-9999 (1) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:1.91708 Ang O(0) at 28.425 -18.911 11.981 in (null):G-9999 (0) and CD(216) at 27.6768 -18.5567 10.2519 in (null):R-9999 (29) other bump:2.51518 Ang CG(5) at 25.879 -19.1733 8.32721 in (null):E-9999 (1) and CG(215) at 27.2079 -17.351 9.44059 in (null):R-9999 (29) other bump:3.21511 Ang C(1) at 28.808 -19.622 11.059 in (null):G-9999 (0) and CG(215) at 27.2079 -17.351 9.44059 in (null):R-9999 (29) other bump:3.14933 Ang N(2) at 27.974 -20.291 10.27 in (null):E-9999 (1) and CG(215) at 27.2079 -17.351 9.44059 in (null):R-9999 (29) other bump:3.15438 Ang CA(3) at 26.539 -20.256 10.472 in (null):E-9999 (1) and CG(215) at 27.2079 -17.351 9.44059 in (null):R-9999 (29) other bump:1.93255 Ang O(155) at 24.588 -13.162 13.776 in (null):N-9999 (21) and OG(174) at 26.212 -13.8396 12.9771 in (null):S-9999 (24) Number of specific fragments= 8 total=664 Number of alignments=57 # 1gox read from T0147_twice.t2k-2track-undertaker.a2m # adding 1gox to template set 1gox:Bad short name: ACE for alphabet: ExtAA Replacing ACE with X Bad short name: ACE for alphabet: ExtAA Replacing ACE with X Bad short name: ACE for alphabet: ExtAA Replacing ACE with X Bad short name: ACE for alphabet: ExtAA Replacing ACE with X Bad short name: ACE for alphabet: ExtAA Replacing ACE with X Bad short name: ACE for alphabet: ExtAA Replacing ACE with X Bad short name: N1 for alphabet: pdb_atoms Bad short name: C2 for alphabet: pdb_atoms Bad short name: O2 for alphabet: pdb_atoms Bad short name: N3 for alphabet: pdb_atoms Bad short name: C4 for alphabet: pdb_atoms Bad short name: O4 for alphabet: pdb_atoms Bad short name: C4A for alphabet: pdb_atoms Bad short name: N5 for alphabet: pdb_atoms Bad short name: C5A for alphabet: pdb_atoms Bad short name: C6 for alphabet: pdb_atoms Bad short name: C7 for alphabet: pdb_atoms Bad short name: C7M for alphabet: pdb_atoms Bad short name: C8 for alphabet: pdb_atoms Bad short name: C8M for alphabet: pdb_atoms Bad short name: C9 for alphabet: pdb_atoms Bad short name: C9A for alphabet: pdb_atoms Bad short name: N10 for alphabet: pdb_atoms Bad short name: C10 for alphabet: pdb_atoms Bad short name: C1* for alphabet: pdb_atoms Bad short name: C2* for alphabet: pdb_atoms Bad short name: O2* for alphabet: pdb_atoms Bad short name: C3* for alphabet: pdb_atoms Bad short name: O3* for alphabet: pdb_atoms Bad short name: C4* for alphabet: pdb_atoms Bad short name: O4* for alphabet: pdb_atoms Bad short name: C5* for alphabet: pdb_atoms Bad short name: O5* for alphabet: pdb_atoms Bad short name: P for alphabet: pdb_atoms Bad short name: OP1 for alphabet: pdb_atoms Bad short name: OP2 for alphabet: pdb_atoms Bad short name: OP3 for alphabet: pdb_atoms # found chain 1gox in template set T0147_twice 20 :LSDYIAQAKQKGIKLFAITDHGPDMEDAPHHW 1gox 137 :VAQLVRRAERAGFKAIALTVDTPRLGRREADI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.53595 Ang CG2(146) at 47.314 54.167 26.801 in (null):T-9999 (19) and CE1(164) at 49.6548 55.1058 27.0665 in (null):H-9999 (21) other bump:2.9731 Ang CG2(146) at 47.314 54.167 26.801 in (null):T-9999 (19) and ND1(163) at 49.4361 55.6878 28.2233 in (null):H-9999 (21) neighbor-bump: 2.2529 Ang O(109) at 49.278 37.533 32.218 in (null):K-9999 (14) and CD1(115) at 50.624 38.9603 33.3256 in (null):L-9999 (15) other bump:2.64693 Ang O(0) at 35.51 44.317 24.814 in (null):G-9999 (0) and CD1(28) at 37.5596 44.8278 23.2188 in (null):Y-9999 (4) T0147_twice 63 :VDGV 1gox 169 :KNRF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 76 :IKN 1gox 173 :VLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 83 :IDCSGKMFDSLD 1gox 176 :PFLTLKNFEGID Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.56439 Ang O(49) at 38.116 42.514 18.643 in (null):M-9999 (7) and CD1(80) at 35.8897 42.3907 19.9097 in (null):L-9999 (11) neighbor-bump: 1.55489 Ang O(68) at 36.333 39.879 15.052 in (null):D-9999 (9) and OG(73) at 36.1246 38.7055 16.0505 in (null):S-9999 (10) neighbor-bump: 2.38928 Ang C(69) at 35.373 40.645 14.875 in (null):D-9999 (9) and OG(73) at 36.1246 38.7055 16.0505 in (null):S-9999 (10) neighbor-bump: 2.25079 Ang O(68) at 36.333 39.879 15.052 in (null):D-9999 (9) and CB(72) at 34.9934 38.1121 15.4389 in (null):S-9999 (10) neighbor-bump: 2.62252 Ang C(69) at 35.373 40.645 14.875 in (null):D-9999 (9) and CB(72) at 34.9934 38.1121 15.4389 in (null):S-9999 (10) T0147_twice 106 :APHD 1gox 199 :LSSY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 111 :ATNTQAMIATIASGNVHIISHPGNPK 1gox 232 :VITAEDARLAVQHGAAGIIVSNHGAR Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues neighbor-bump: 1.92666 Ang O(168) at 56.691 58.943 20.986 in (null):N-9999 (24) and CD(174) at 57.5903 59.6797 22.5224 in (null):P-9999 (25) neighbor-bump: 1.57632 Ang C(169) at 56.411 58.696 22.167 in (null):N-9999 (24) and CD(174) at 57.5903 59.6797 22.5224 in (null):P-9999 (25) self-bump: 2.16819 Ang CA(171) at 55.964 61.023 23.024 in (null):P-9999 (25) and CD(174) at 57.5903 59.6797 22.5224 in (null):P-9999 (25) neighbor-bump: 2.22519 Ang CA(142) at 56.028 55.652 29.448 in (null):H-9999 (21) and CD(155) at 56.9571 57.5161 28.6649 in (null):P-9999 (22) neighbor-bump: 1.75884 Ang C(150) at 55.39 57.018 29.289 in (null):H-9999 (21) and CD(155) at 56.9571 57.5161 28.6649 in (null):P-9999 (22) self-bump: 2.16969 Ang N(151) at 55.642 57.587 28.148 in (null):P-9999 (22) and CG(154) at 57.5624 58.4881 27.6922 in (null):P-9999 (22) other bump:2.20242 Ang CE(48) at 55.1459 53.2705 38.6093 in (null):M-9999 (7) and CD1(124) at 54.065 51.691 39.699 in (null):I-9999 (18) other bump:2.71653 Ang SD(47) at 54.598 54.9141 38.1361 in (null):M-9999 (7) and CG2(123) at 54.382 52.655 36.643 in (null):I-9999 (18) other bump:2.19748 Ang CE(48) at 55.1459 53.2705 38.6093 in (null):M-9999 (7) and CG2(123) at 54.382 52.655 36.643 in (null):I-9999 (18) other bump:2.79458 Ang CE(48) at 55.1459 53.2705 38.6093 in (null):M-9999 (7) and CG1(122) at 53.501 51.018 38.436 in (null):I-9999 (18) other bump:2.6174 Ang CE(48) at 55.1459 53.2705 38.6093 in (null):M-9999 (7) and CB(121) at 54.394 51.191 37.209 in (null):I-9999 (18) other bump:2.34777 Ang OD1(99) at 51.1585 48.0381 37.7729 in (null):N-9999 (15) and C(118) at 53.338 47.906 36.91 in (null):H-9999 (17) other bump:2.58437 Ang CG(97) at 49.9503 48.3783 37.8658 in (null):N-9999 (15) and O(117) at 52.156 47.997 36.574 in (null):H-9999 (17) other bump:1.56009 Ang OD1(99) at 51.1585 48.0381 37.7729 in (null):N-9999 (15) and O(117) at 52.156 47.997 36.574 in (null):H-9999 (17) other bump:3.11691 Ang CG2(67) at 49.9984 51.2188 39.1481 in (null):T-9999 (10) and CG(97) at 49.9503 48.3783 37.8658 in (null):N-9999 (15) other bump:3.01383 Ang CB(4) at 52.782 55.601 35.831 in (null):A-9999 (1) and SD(47) at 54.598 54.9141 38.1361 in (null):M-9999 (7) T0147_twice 137 :YEIDVKAVAEAAAKHQVALEINNSS 1gox 264 :ATIMALEEVVKAAQGRIPVFLDGGV Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.70911 Ang CG(17) at 59.2125 57.4393 28.9681 in (null):E-9999 (2) and ND2(173) at 58.4154 56.2986 27.9759 in (null):N-9999 (23) other bump:2.59735 Ang CD(18) at 58.155 58.0757 29.8522 in (null):E-9999 (2) and ND2(173) at 58.4154 56.2986 27.9759 in (null):N-9999 (23) neighbor-bump: 1.95945 Ang O(167) at 59.795 54.822 27.569 in (null):N-9999 (22) and CG(172) at 58.8012 56.263 26.6885 in (null):N-9999 (23) neighbor-bump: 2.6606 Ang C(168) at 60.069 53.925 26.761 in (null):N-9999 (22) and CG(172) at 58.8012 56.263 26.6885 in (null):N-9999 (23) other bump:2.598 Ang CG(17) at 59.2125 57.4393 28.9681 in (null):E-9999 (2) and CG(172) at 58.8012 56.263 26.6885 in (null):N-9999 (23) neighbor-bump: 1.94106 Ang O(167) at 59.795 54.822 27.569 in (null):N-9999 (22) and CB(171) at 60.2854 56.3105 26.4237 in (null):N-9999 (23) neighbor-bump: 2.4189 Ang C(168) at 60.069 53.925 26.761 in (null):N-9999 (22) and CB(171) at 60.2854 56.3105 26.4237 in (null):N-9999 (23) other bump:2.98312 Ang CG(17) at 59.2125 57.4393 28.9681 in (null):E-9999 (2) and CB(171) at 60.2854 56.3105 26.4237 in (null):N-9999 (23) other bump:2.76956 Ang CA(73) at 61.134 53.489 40.874 in (null):E-9999 (10) and CD1(140) at 59.4567 51.4481 40.0422 in (null):L-9999 (19) other bump:1.83133 Ang CG(49) at 63.4038 54.4104 35.3454 in (null):K-9999 (6) and OE2(78) at 62.409 53.7379 36.7281 in (null):E-9999 (10) other bump:1.25529 Ang O(53) at 61.754 55.815 37.969 in (null):K-9999 (6) and OE1(77) at 62.6961 55.111 38.4077 in (null):E-9999 (10) other bump:1.79846 Ang C(54) at 62.515 56.505 37.286 in (null):K-9999 (6) and OE1(77) at 62.6961 55.111 38.4077 in (null):E-9999 (10) other bump:2.26617 Ang N(55) at 63.612 57.074 37.742 in (null):A-9999 (7) and OE1(77) at 62.6961 55.111 38.4077 in (null):E-9999 (10) other bump:2.43117 Ang CA(56) at 64.046 56.991 39.152 in (null):A-9999 (7) and OE1(77) at 62.6961 55.111 38.4077 in (null):E-9999 (10) other bump:2.7693 Ang CG(49) at 63.4038 54.4104 35.3454 in (null):K-9999 (6) and CD(76) at 62.5647 53.9581 37.9454 in (null):E-9999 (10) other bump:2.02626 Ang O(53) at 61.754 55.815 37.969 in (null):K-9999 (6) and CD(76) at 62.5647 53.9581 37.9454 in (null):E-9999 (10) other bump:2.63133 Ang C(54) at 62.515 56.505 37.286 in (null):K-9999 (6) and CD(76) at 62.5647 53.9581 37.9454 in (null):E-9999 (10) other bump:2.79543 Ang CB(4) at 63.4925 61.8801 28.5565 in (null):Y-9999 (1) and OD2(36) at 65.2309 62.7468 30.5669 in (null):D-9999 (4) T0147_twice 172 :NCREVAAAVRDAGGWVAL 1gox 289 :RRGTDVFKALALGAAGVF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 2.25106 Ang O(109) at 63.437 43.89 33.866 in (null):W-9999 (15) and CG2(115) at 61.7893 43.4721 32.3904 in (null):V-9999 (16) neighbor-bump: 2.78209 Ang C(110) at 63.201 45.086 34.163 in (null):W-9999 (15) and CG2(115) at 61.7893 43.4721 32.3904 in (null):V-9999 (16) other bump:2.28461 Ang O(51) at 71.319 50.161 32.905 in (null):A-9999 (7) and OD2(81) at 73.2636 50.3701 34.0858 in (null):D-9999 (11) T0147_twice 200 :GEFEECLKILDAVDFPPERILNVSPRRLLNFLESRGMAPIAEFADL 1gox 307 :IGRPVVFSLAAEGEAGVKKVLQMMRDEFELTMALSGCRSLKEISRS Fragment has 71 clashes (null) has 71 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.1891 Ang CG(260) at 75.118 43.4622 30.762 in (null):L-9999 (32) and CZ(345) at 74.6 44.4845 32.6271 in (null):F-9999 (43) other bump:0.684275 Ang CD2(262) at 74.8751 44.2376 32.0513 in (null):L-9999 (32) and CZ(345) at 74.6 44.4845 32.6271 in (null):F-9999 (43) other bump:2.96344 Ang SD(299) at 74.6344 44.3076 35.5851 in (null):M-9999 (37) and CZ(345) at 74.6 44.4845 32.6271 in (null):F-9999 (43) other bump:1.77409 Ang CD2(262) at 74.8751 44.2376 32.0513 in (null):L-9999 (32) and CE2(344) at 74.9524 45.7712 32.9398 in (null):F-9999 (43) other bump:1.92515 Ang NH2(288) at 75.0272 47.316 31.7934 in (null):R-9999 (35) and CE2(344) at 74.9524 45.7712 32.9398 in (null):F-9999 (43) other bump:3.03989 Ang SD(299) at 74.6344 44.3076 35.5851 in (null):M-9999 (37) and CE2(344) at 74.9524 45.7712 32.9398 in (null):F-9999 (43) other bump:2.75718 Ang CZ(286) at 75.6485 48.3661 32.3199 in (null):R-9999 (35) and CE2(344) at 74.9524 45.7712 32.9398 in (null):F-9999 (43) other bump:1.85844 Ang CD2(262) at 74.8751 44.2376 32.0513 in (null):L-9999 (32) and CE1(343) at 73.8021 43.7357 33.4833 in (null):F-9999 (43) other bump:2.33179 Ang SD(299) at 74.6344 44.3076 35.5851 in (null):M-9999 (37) and CE1(343) at 73.8021 43.7357 33.4833 in (null):F-9999 (43) other bump:2.62016 Ang NH2(288) at 75.0272 47.316 31.7934 in (null):R-9999 (35) and CD2(342) at 74.4856 46.3344 34.1616 in (null):F-9999 (43) other bump:2.48123 Ang SD(299) at 74.6344 44.3076 35.5851 in (null):M-9999 (37) and CD2(342) at 74.4856 46.3344 34.1616 in (null):F-9999 (43) other bump:2.16257 Ang CE(300) at 75.405 45.8483 36.0577 in (null):M-9999 (37) and CD2(342) at 74.4856 46.3344 34.1616 in (null):F-9999 (43) other bump:2.97856 Ang CZ(286) at 75.6485 48.3661 32.3199 in (null):R-9999 (35) and CD2(342) at 74.4856 46.3344 34.1616 in (null):F-9999 (43) other bump:2.87468 Ang NH1(287) at 74.9957 49.0235 33.2827 in (null):R-9999 (35) and CD2(342) at 74.4856 46.3344 34.1616 in (null):F-9999 (43) other bump:1.57834 Ang SD(299) at 74.6344 44.3076 35.5851 in (null):M-9999 (37) and CD1(341) at 73.326 44.2779 34.7028 in (null):F-9999 (43) other bump:2.93666 Ang CE(300) at 75.405 45.8483 36.0577 in (null):M-9999 (37) and CD1(341) at 73.326 44.2779 34.7028 in (null):F-9999 (43) other bump:1.69697 Ang SD(299) at 74.6344 44.3076 35.5851 in (null):M-9999 (37) and CG(340) at 73.683 45.5989 35.0309 in (null):F-9999 (43) other bump:2.02032 Ang CE(300) at 75.405 45.8483 36.0577 in (null):M-9999 (37) and CG(340) at 73.683 45.5989 35.0309 in (null):F-9999 (43) other bump:2.48459 Ang SD(299) at 74.6344 44.3076 35.5851 in (null):M-9999 (37) and CB(339) at 73.1727 46.182 36.3084 in (null):F-9999 (43) other bump:2.27098 Ang CE(300) at 75.405 45.8483 36.0577 in (null):M-9999 (37) and CB(339) at 73.1727 46.182 36.3084 in (null):F-9999 (43) other bump:2.58751 Ang SD(299) at 74.6344 44.3076 35.5851 in (null):M-9999 (37) and CA(338) at 74.027 45.936 37.502 in (null):F-9999 (43) other bump:1.99815 Ang CE(300) at 75.405 45.8483 36.0577 in (null):M-9999 (37) and CA(338) at 74.027 45.936 37.502 in (null):F-9999 (43) other bump:2.42473 Ang SD(299) at 74.6344 44.3076 35.5851 in (null):M-9999 (37) and N(337) at 74.123 44.528 37.945 in (null):F-9999 (43) other bump:2.63605 Ang CE(300) at 75.405 45.8483 36.0577 in (null):M-9999 (37) and N(337) at 74.123 44.528 37.945 in (null):F-9999 (43) other bump:3.04498 Ang CG(311) at 75.0924 38.8245 37.927 in (null):P-9999 (39) and CD(332) at 77.679 39.863 39.153 in (null):E-9999 (42) other bump:2.82955 Ang CD(312) at 76.2263 38.8863 36.9299 in (null):P-9999 (39) and CD(332) at 77.679 39.863 39.153 in (null):E-9999 (42) other bump:2.60932 Ang CG(311) at 75.0924 38.8245 37.927 in (null):P-9999 (39) and CG(331) at 76.334 40.527 39.466 in (null):E-9999 (42) other bump:3.02244 Ang CD(312) at 76.2263 38.8863 36.9299 in (null):P-9999 (39) and CG(331) at 76.334 40.527 39.466 in (null):E-9999 (42) other bump:2.99865 Ang SD(299) at 74.6344 44.3076 35.5851 in (null):M-9999 (37) and O(313) at 73.981 41.463 36.273 in (null):P-9999 (39) other bump:2.69016 Ang CG(298) at 75.9942 43.1401 35.6636 in (null):M-9999 (37) and O(313) at 73.981 41.463 36.273 in (null):P-9999 (39) neighbor-bump: 2.45619 Ang CA(304) at 77.807 39.009 35.054 in (null):A-9999 (38) and CD(312) at 76.2263 38.8863 36.9299 in (null):P-9999 (39) neighbor-bump: 1.83352 Ang C(307) at 76.333 38.588 35.124 in (null):A-9999 (38) and CD(312) at 76.2263 38.8863 36.9299 in (null):P-9999 (39) other bump:2.64644 Ang CG1(183) at 71.8867 46.0171 17.0255 in (null):V-9999 (23) and NH1(218) at 72.8601 48.4764 16.9368 in (null):R-9999 (27) other bump:3.02537 Ang CD(62) at 64.7423 46.1881 13.9106 in (null):K-9999 (8) and CD1(161) at 63.1015 45.5818 16.379 in (null):I-9999 (20) other bump:2.48349 Ang CG(61) at 64.4104 46.8786 12.5919 in (null):K-9999 (8) and CG2(160) at 65.5713 46.2362 14.6912 in (null):I-9999 (20) other bump:1.13972 Ang CD(62) at 64.7423 46.1881 13.9106 in (null):K-9999 (8) and CG2(160) at 65.5713 46.2362 14.6912 in (null):I-9999 (20) other bump:0.856605 Ang CE(63) at 66.2339 46.153 14.1548 in (null):K-9999 (8) and CG2(160) at 65.5713 46.2362 14.6912 in (null):I-9999 (20) other bump:2.2247 Ang NZ(64) at 66.8839 45.1479 13.2622 in (null):K-9999 (8) and CG2(160) at 65.5713 46.2362 14.6912 in (null):I-9999 (20) other bump:2.78761 Ang CD(62) at 64.7423 46.1881 13.9106 in (null):K-9999 (8) and CG1(159) at 64.2721 44.6239 16.1695 in (null):I-9999 (20) other bump:2.35093 Ang CD(62) at 64.7423 46.1881 13.9106 in (null):K-9999 (8) and CB(158) at 65.5959 45.3445 15.9321 in (null):I-9999 (20) other bump:2.05413 Ang CE(63) at 66.2339 46.153 14.1548 in (null):K-9999 (8) and CB(158) at 65.5959 45.3445 15.9321 in (null):I-9999 (20) other bump:3.26355 Ang CD(62) at 64.7423 46.1881 13.9106 in (null):K-9999 (8) and CA(157) at 66.651 44.394 15.857 in (null):I-9999 (20) other bump:2.48308 Ang CE(63) at 66.2339 46.153 14.1548 in (null):K-9999 (8) and CA(157) at 66.651 44.394 15.857 in (null):I-9999 (20) other bump:2.71209 Ang NZ(64) at 66.8839 45.1479 13.2622 in (null):K-9999 (8) and CA(157) at 66.651 44.394 15.857 in (null):I-9999 (20) other bump:2.45728 Ang NZ(64) at 66.8839 45.1479 13.2622 in (null):K-9999 (8) and N(156) at 66.811 43.305 14.886 in (null):I-9999 (20) other bump:2.17135 Ang O(101) at 60.902 41.775 9.436 in (null):V-9999 (13) and CD(133) at 61.6942 42.1045 11.4306 in (null):P-9999 (17) other bump:2.37994 Ang CD1(72) at 58.4784 42.7683 11.4021 in (null):I-9999 (9) and CG(132) at 60.5763 42.3215 12.4333 in (null):P-9999 (17) other bump:3.09747 Ang CG1(70) at 58.3025 44.286 11.6818 in (null):I-9999 (9) and CG(132) at 60.5763 42.3215 12.4333 in (null):P-9999 (17) other bump:1.91155 Ang O(94) at 62.54 41.271 6.673 in (null):A-9999 (12) and CD(126) at 63.0558 41.5634 8.49025 in (null):P-9999 (16) other bump:2.28941 Ang C(95) at 62.081 42.452 6.619 in (null):A-9999 (12) and CD(126) at 63.0558 41.5634 8.49025 in (null):P-9999 (16) other bump:2.77697 Ang C(102) at 60.322 41.085 8.584 in (null):V-9999 (13) and CD(126) at 63.0558 41.5634 8.49025 in (null):P-9999 (16) other bump:2.36183 Ang O(101) at 60.902 41.775 9.436 in (null):V-9999 (13) and CD(126) at 63.0558 41.5634 8.49025 in (null):P-9999 (16) neighbor-bump: 2.63238 Ang N(111) at 62.696 39.068 9.247 in (null):F-9999 (15) and CD(126) at 63.0558 41.5634 8.49025 in (null):P-9999 (16) other bump:2.98944 Ang CA(92) at 63.098 43.495 6.209 in (null):A-9999 (12) and CD(126) at 63.0558 41.5634 8.49025 in (null):P-9999 (16) other bump:2.60295 Ang CB(93) at 64.414 43.195 6.984 in (null):A-9999 (12) and CD(126) at 63.0558 41.5634 8.49025 in (null):P-9999 (16) other bump:2.38606 Ang O(94) at 62.54 41.271 6.673 in (null):A-9999 (12) and CG(125) at 63.118 43.0435 8.16205 in (null):P-9999 (16) other bump:1.95098 Ang C(95) at 62.081 42.452 6.619 in (null):A-9999 (12) and CG(125) at 63.118 43.0435 8.16205 in (null):P-9999 (16) other bump:2.65359 Ang N(96) at 60.823 42.74 6.865 in (null):V-9999 (13) and CG(125) at 63.118 43.0435 8.16205 in (null):P-9999 (16) other bump:2.00465 Ang CA(92) at 63.098 43.495 6.209 in (null):A-9999 (12) and CG(125) at 63.118 43.0435 8.16205 in (null):P-9999 (16) other bump:1.75793 Ang CB(93) at 64.414 43.195 6.984 in (null):A-9999 (12) and CG(125) at 63.118 43.0435 8.16205 in (null):P-9999 (16) other bump:2.60503 Ang N(91) at 62.826 44.923 6.382 in (null):A-9999 (12) and CG(125) at 63.118 43.0435 8.16205 in (null):P-9999 (16) other bump:2.07973 Ang O(65) at 62.213 45.39 8.982 in (null):K-9999 (8) and CB(124) at 63.3212 43.705 9.49007 in (null):P-9999 (16) other bump:2.86547 Ang C(66) at 61.734 46.053 9.913 in (null):K-9999 (8) and CB(124) at 63.3212 43.705 9.49007 in (null):P-9999 (16) other bump:2.78114 Ang CB(93) at 64.414 43.195 6.984 in (null):A-9999 (12) and CB(124) at 63.3212 43.705 9.49007 in (null):P-9999 (16) other bump:3.26601 Ang CB(93) at 64.414 43.195 6.984 in (null):A-9999 (12) and CA(123) at 64.237 42.767 10.217 in (null):P-9999 (16) neighbor-bump: 3.15481 Ang CG1(99) at 58.2308 40.1506 7.9592 in (null):V-9999 (13) and CA(104) at 60.39 39.117 10.014 in (null):D-9999 (14) neighbor-bump: 2.48543 Ang CB(98) at 58.9375 40.9246 6.86152 in (null):V-9999 (13) and N(103) at 60.053 39.802 8.778 in (null):D-9999 (14) neighbor-bump: 2.02793 Ang CG1(99) at 58.2308 40.1506 7.9592 in (null):V-9999 (13) and N(103) at 60.053 39.802 8.778 in (null):D-9999 (14) self-bump: 2.21572 Ang CB(98) at 58.9375 40.9246 6.86152 in (null):V-9999 (13) and C(102) at 60.322 41.085 8.584 in (null):V-9999 (13) self-bump: 2.37417 Ang CG1(99) at 58.2308 40.1506 7.9592 in (null):V-9999 (13) and C(102) at 60.322 41.085 8.584 in (null):V-9999 (13) self-bump: 1.27185 Ang CA(97) at 59.903 41.663 7.236 in (null):V-9999 (13) and CB(98) at 58.9375 40.9246 6.86152 in (null):V-9999 (13) Number of specific fragments= 9 total=673 Number of alignments=58 # 1hw6A read from T0147_twice.t2k-2track-undertaker.a2m # found chain 1hw6A in template set T0147_twice 23 :YIAQAKQKGIKLF 1hw6A 32 :AVEEALEVGYRHI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.93948 Ang CG(44) at -3.49105 -4.35385 7.05603 in (null):K-9999 (6) and CZ(105) at -4.91384 -1.88467 7.77669 in (null):F-9999 (13) self-bump: 1.38709 Ang CA(60) at 2.345 0.185 4.17 in (null):K-9999 (8) and CB(61) at 1.81878 1.39377 3.73876 in (null):K-9999 (8) T0147_twice 41 :GPD 1hw6A 45 :DTA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 1.87154 Ang C(5) at -12.744 2.515 7.816 in (null):G-9999 (1) and CD(10) at -13.2959 1.18896 9.01587 in (null):P-9999 (2) self-bump: 1.27464 Ang N(6) at -13.828 1.765 8.011 in (null):P-9999 (2) and CD(10) at -13.2959 1.18896 9.01587 in (null):P-9999 (2) neighbor-bump: 2.18694 Ang CA(3) at -11.985 2.939 9.056 in (null):G-9999 (1) and CD(10) at -13.2959 1.18896 9.01587 in (null):P-9999 (2) self-bump: 2.13561 Ang N(6) at -13.828 1.765 8.011 in (null):P-9999 (2) and CG(9) at -13.6084 -0.254776 8.66912 in (null):P-9999 (2) T0147_twice 47 :APHHWHFINMRIW 1hw6A 85 :EPAAAIAESLAKL Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.88782 Ang ND2(81) at -18.8317 -3.51992 9.24511 in (null):N-9999 (9) and NE1(120) at -17.191 -4.41231 8.97039 in (null):W-9999 (13) other bump:2.51376 Ang CG(80) at -19.147 -3.93015 10.4739 in (null):N-9999 (9) and NE1(120) at -17.191 -4.41231 8.97039 in (null):W-9999 (13) other bump:2.38069 Ang O(83) at -19.014 -7.115 10.113 in (null):N-9999 (9) and CD1(116) at -17.3009 -5.49243 9.79624 in (null):W-9999 (13) other bump:2.55692 Ang ND2(81) at -18.8317 -3.51992 9.24511 in (null):N-9999 (9) and CD1(116) at -17.3009 -5.49243 9.79624 in (null):W-9999 (13) other bump:2.51155 Ang CG(80) at -19.147 -3.93015 10.4739 in (null):N-9999 (9) and CD1(116) at -17.3009 -5.49243 9.79624 in (null):W-9999 (13) other bump:2.41298 Ang OD1(82) at -18.33 -4.00687 11.3952 in (null):N-9999 (9) and CD1(116) at -17.3009 -5.49243 9.79624 in (null):W-9999 (13) other bump:1.78682 Ang CE1(20) at -27.5155 -6.62805 19.3585 in (null):H-9999 (3) and CZ(66) at -26.1195 -7.70394 19.0645 in (null):F-9999 (7) other bump:2.66781 Ang NE2(21) at -28.6589 -6.94014 18.772 in (null):H-9999 (3) and CZ(66) at -26.1195 -7.70394 19.0645 in (null):F-9999 (7) other bump:2.67011 Ang ND1(19) at -27.3208 -5.32487 19.2275 in (null):H-9999 (3) and CZ(66) at -26.1195 -7.70394 19.0645 in (null):F-9999 (7) other bump:1.83088 Ang CE1(20) at -27.5155 -6.62805 19.3585 in (null):H-9999 (3) and CE2(65) at -27.1337 -8.00677 18.2159 in (null):F-9999 (7) other bump:1.94245 Ang NE2(21) at -28.6589 -6.94014 18.772 in (null):H-9999 (3) and CE2(65) at -27.1337 -8.00677 18.2159 in (null):F-9999 (7) other bump:3.03665 Ang CD2(18) at -29.2179 -5.79848 18.2456 in (null):H-9999 (3) and CE2(65) at -27.1337 -8.00677 18.2159 in (null):F-9999 (7) other bump:2.87244 Ang ND1(19) at -27.3208 -5.32487 19.2275 in (null):H-9999 (3) and CE2(65) at -27.1337 -8.00677 18.2159 in (null):F-9999 (7) other bump:2.84062 Ang CE1(20) at -27.5155 -6.62805 19.3585 in (null):H-9999 (3) and CE1(64) at -24.8905 -7.37862 18.5744 in (null):F-9999 (7) other bump:2.79403 Ang NE2(21) at -28.6589 -6.94014 18.772 in (null):H-9999 (3) and CD2(63) at -26.9299 -7.98516 16.842 in (null):F-9999 (7) neighbor-bump: 2.95199 Ang CE3(41) at -23.1001 0.234474 12.2834 in (null):W-9999 (5) and CD2(52) at -22.9736 -0.312099 15.1816 in (null):H-9999 (6) T0147_twice 89 :MFDSLDLII 1hw6A 98 :ALDQVDLYL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26222 Ang CD1(39) at -17.9189 -1.89246 14.3893 in (null):L-9999 (5) and CD1(64) at -18.8716 -0.315256 15.7017 in (null):I-9999 (8) other bump:3.11636 Ang C(1) at -15.236 -9.969 9.95 in (null):G-9999 (0) and CE1(16) at -12.9105 -8.02985 10.6871 in (null):F-9999 (2) other bump:2.40348 Ang O(0) at -14.026 -10.087 10.139 in (null):G-9999 (0) and CE1(16) at -12.9105 -8.02985 10.6871 in (null):F-9999 (2) other bump:2.76534 Ang C(1) at -15.236 -9.969 9.95 in (null):G-9999 (0) and CD1(14) at -13.8826 -8.28941 11.6804 in (null):F-9999 (2) other bump:2.37232 Ang O(0) at -14.026 -10.087 10.139 in (null):G-9999 (0) and CD1(14) at -13.8826 -8.28941 11.6804 in (null):F-9999 (2) T0147_twice 100 :FHEPVFAPHDKATNTQAMIATIASGNVHIISHPGNPK 1hw6A 107 :VHWPTPAADNYVHAWEKMIELRAAGLTRSIGVSNHLV Fragment has 46 clashes (null) has 46 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.21518 Ang CB(237) at -21.2654 11.3417 19.0934 in (null):H-9999 (32) and OD1(261) at -22.4036 13.242 19.0763 in (null):N-9999 (35) other bump:1.58396 Ang ND1(240) at -21.0196 13.7889 19.6188 in (null):H-9999 (32) and OD1(261) at -22.4036 13.242 19.0763 in (null):N-9999 (35) other bump:2.11869 Ang CG(238) at -20.4846 12.5122 19.5993 in (null):H-9999 (32) and OD1(261) at -22.4036 13.242 19.0763 in (null):N-9999 (35) other bump:2.04664 Ang CE(92) at -26.138 14.4222 18.0535 in (null):K-9999 (11) and ND2(260) at -24.0947 14.3059 18.0657 in (null):N-9999 (35) other bump:1.24811 Ang NZ(93) at -24.9099 15.1809 18.423 in (null):K-9999 (11) and ND2(260) at -24.0947 14.3059 18.0657 in (null):N-9999 (35) other bump:2.16017 Ang NZ(93) at -24.9099 15.1809 18.423 in (null):K-9999 (11) and CG(259) at -22.9734 14.2871 18.7658 in (null):N-9999 (35) other bump:2.18931 Ang ND1(240) at -21.0196 13.7889 19.6188 in (null):H-9999 (32) and CG(259) at -22.9734 14.2871 18.7658 in (null):N-9999 (35) other bump:2.64198 Ang NZ(93) at -24.9099 15.1809 18.423 in (null):K-9999 (11) and CB(258) at -22.4257 15.6167 19.2099 in (null):N-9999 (35) other bump:2.34203 Ang ND1(240) at -21.0196 13.7889 19.6188 in (null):H-9999 (32) and CB(258) at -22.4257 15.6167 19.2099 in (null):N-9999 (35) other bump:2.66696 Ang CE1(241) at -20.1284 14.6187 20.126 in (null):H-9999 (32) and CB(258) at -22.4257 15.6167 19.2099 in (null):N-9999 (35) other bump:2.25817 Ang O(11) at -22.838 9.192 14.589 in (null):F-9999 (1) and CD(249) at -21.3136 10.4294 15.7046 in (null):P-9999 (33) neighbor-bump: 2.01662 Ang C(244) at -19.928 11.147 16.982 in (null):H-9999 (32) and CD(249) at -21.3136 10.4294 15.7046 in (null):P-9999 (33) other bump:2.05719 Ang O(11) at -22.838 9.192 14.589 in (null):F-9999 (1) and CG(248) at -21.4924 10.7061 14.2298 in (null):P-9999 (33) other bump:3.2205 Ang C(12) at -23.649 8.315 14.289 in (null):F-9999 (1) and CG(248) at -21.4924 10.7061 14.2298 in (null):P-9999 (33) other bump:2.0999 Ang CD1(170) at -19.9147 2.33301 24.0701 in (null):I-9999 (22) and CD1(226) at -20.989 4.108 24.394 in (null):I-9999 (30) other bump:2.56214 Ang CG1(168) at -20.1148 0.899477 23.5942 in (null):I-9999 (22) and CG2(225) at -20.332 2.739 21.824 in (null):I-9999 (30) other bump:2.32031 Ang CD1(170) at -19.9147 2.33301 24.0701 in (null):I-9999 (22) and CG2(225) at -20.332 2.739 21.824 in (null):I-9999 (30) other bump:2.08669 Ang CD1(170) at -19.9147 2.33301 24.0701 in (null):I-9999 (22) and CG1(224) at -19.69 4.361 23.633 in (null):I-9999 (30) other bump:2.65061 Ang CD1(170) at -19.9147 2.33301 24.0701 in (null):I-9999 (22) and CB(223) at -19.807 4.138 22.132 in (null):I-9999 (30) other bump:2.42236 Ang CD1(6) at -24.9358 9.00197 17.0602 in (null):F-9999 (1) and OD1(113) at -26.6584 7.81112 18.2778 in (null):N-9999 (14) other bump:2.32053 Ang CG(5) at -24.641 7.65677 17.1415 in (null):F-9999 (1) and OD1(113) at -26.6584 7.81112 18.2778 in (null):N-9999 (14) other bump:2.41549 Ang CD2(7) at -24.3438 7.13201 18.4043 in (null):F-9999 (1) and OD1(113) at -26.6584 7.81112 18.2778 in (null):N-9999 (14) other bump:2.68068 Ang CE2(9) at -24.2852 7.97013 19.5143 in (null):F-9999 (1) and OD1(113) at -26.6584 7.81112 18.2778 in (null):N-9999 (14) other bump:2.37007 Ang CG(35) at -26.349 15.807 16.647 in (null):P-9999 (4) and NZ(93) at -24.9099 15.1809 18.423 in (null):K-9999 (11) other bump:2.42915 Ang CB(34) at -27.823 15.427 16.621 in (null):P-9999 (4) and CE(92) at -26.138 14.4222 18.0535 in (null):K-9999 (11) other bump:1.98502 Ang CG(35) at -26.349 15.807 16.647 in (null):P-9999 (4) and CE(92) at -26.138 14.4222 18.0535 in (null):K-9999 (11) other bump:2.75926 Ang CD(36) at -25.694 15.167 15.434 in (null):P-9999 (4) and CE(92) at -26.138 14.4222 18.0535 in (null):K-9999 (11) other bump:2.83148 Ang CB(34) at -27.823 15.427 16.621 in (null):P-9999 (4) and CD(91) at -27.1401 14.4411 19.186 in (null):K-9999 (11) other bump:2.98962 Ang CG(35) at -26.349 15.807 16.647 in (null):P-9999 (4) and CD(91) at -27.1401 14.4411 19.186 in (null):K-9999 (11) other bump:3.07346 Ang CG1(42) at -32.9408 14.4721 15.7414 in (null):V-9999 (5) and OD1(83) at -32.8229 11.5297 16.6216 in (null):D-9999 (10) other bump:2.53874 Ang CB(59) at -36.476 16.309 14.555 in (null):A-9999 (7) and CE1(75) at -36.39 13.7832 14.7959 in (null):H-9999 (9) other bump:3.22394 Ang CA(58) at -35.59 17.484 14.941 in (null):A-9999 (7) and ND1(74) at -36.3676 14.5038 15.8936 in (null):H-9999 (9) other bump:2.24998 Ang CB(59) at -36.476 16.309 14.555 in (null):A-9999 (7) and ND1(74) at -36.3676 14.5038 15.8936 in (null):H-9999 (9) neighbor-bump: 1.85766 Ang C(61) at -35.056 17.306 16.347 in (null):A-9999 (7) and CD(66) at -33.624 18.4788 16.5048 in (null):P-9999 (8) self-bump: 2.20127 Ang CA(63) at -33.09 16.709 17.7 in (null):P-9999 (8) and CD(66) at -33.624 18.4788 16.5048 in (null):P-9999 (8) other bump:2.39715 Ang O(55) at -34.017 19.799 14.543 in (null):F-9999 (6) and CD(66) at -33.624 18.4788 16.5048 in (null):P-9999 (8) other bump:2.63936 Ang C(56) at -33.792 18.779 13.888 in (null):F-9999 (6) and CD(66) at -33.624 18.4788 16.5048 in (null):P-9999 (8) other bump:2.5846 Ang O(44) at -31.768 17.306 15.141 in (null):V-9999 (5) and CD(66) at -33.624 18.4788 16.5048 in (null):P-9999 (8) other bump:3.22789 Ang C(56) at -33.792 18.779 13.888 in (null):F-9999 (6) and CG(65) at -32.1274 18.4255 16.6309 in (null):P-9999 (8) other bump:1.898 Ang O(44) at -31.768 17.306 15.141 in (null):V-9999 (5) and CG(65) at -32.1274 18.4255 16.6309 in (null):P-9999 (8) other bump:3.11014 Ang C(45) at -31.758 16.756 14.033 in (null):V-9999 (5) and CG(65) at -32.1274 18.4255 16.6309 in (null):P-9999 (8) other bump:2.66888 Ang O(44) at -31.768 17.306 15.141 in (null):V-9999 (5) and CB(64) at -31.92 17.5119 17.7976 in (null):P-9999 (8) other bump:2.97691 Ang CG1(42) at -32.9408 14.4721 15.7414 in (null):V-9999 (5) and CA(63) at -33.09 16.709 17.7 in (null):P-9999 (8) other bump:2.66664 Ang CG1(42) at -32.9408 14.4721 15.7414 in (null):V-9999 (5) and N(62) at -33.781 16.908 16.428 in (null):P-9999 (8) other bump:3.13873 Ang C(45) at -31.758 16.756 14.033 in (null):V-9999 (5) and N(62) at -33.781 16.908 16.428 in (null):P-9999 (8) other bump:2.78701 Ang CG2(43) at -33.9277 14.9523 13.5246 in (null):V-9999 (5) and N(57) at -34.489 17.638 14.014 in (null):A-9999 (7) T0147_twice 142 :KAVAEAAAKHQV 1hw6A 144 :PHLERIVAATGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0147_twice 154 :ALEINNSS 1hw6A 159 :VNQIELHP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0147_twice 170 :EDNCREVAAAVRDAGGWV 1hw6A 167 :AYQQREITDWAAAHDVKI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.63918 Ang CG1(78) at -12.8014 16.1787 22.6022 in (null):V-9999 (11) and C(113) at -12.16 13.715 23.298 in (null):G-9999 (16) other bump:1.78939 Ang CG1(78) at -12.8014 16.1787 22.6022 in (null):V-9999 (11) and O(112) at -11.718 14.844 23.099 in (null):G-9999 (16) T0147_twice 188 :ALGSDSHTAFTMGEFEECLKILDAVDFPPERI 1hw6A 186 :SWGPLGQGKYDLFGAEPVTAAAAAHGKTPAQA Fragment has 53 clashes (null) has 53 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:1.77829 Ang CA(161) at 5.514 22.555 3.383 in (null):L-9999 (22) and CD1(246) at 3.97588 22.2583 4.22469 in (null):I-9999 (32) other bump:2.19236 Ang CB(162) at 4.63083 22.4623 2.14242 in (null):L-9999 (22) and CD1(246) at 3.97588 22.2583 4.22469 in (null):I-9999 (32) other bump:2.63828 Ang C(159) at 5.712 23.848 5.416 in (null):I-9999 (21) and CD1(246) at 3.97588 22.2583 4.22469 in (null):I-9999 (32) other bump:1.73652 Ang N(160) at 5.077 23.6 4.278 in (null):L-9999 (22) and CD1(246) at 3.97588 22.2583 4.22469 in (null):I-9999 (32) other bump:2.96674 Ang CA(161) at 5.514 22.555 3.383 in (null):L-9999 (22) and CG1(244) at 3.63505 21.1118 5.16857 in (null):I-9999 (32) other bump:3.01057 Ang N(160) at 5.077 23.6 4.278 in (null):L-9999 (22) and CG1(244) at 3.63505 21.1118 5.16857 in (null):I-9999 (32) other bump:2.68603 Ang CG(210) at 3.43153 16.1798 1.39182 in (null):P-9999 (28) and CD(234) at 4.19861 14.3104 3.16157 in (null):R-9999 (31) other bump:2.67833 Ang CD(211) at 4.85912 16.5009 1.76906 in (null):P-9999 (28) and CD(234) at 4.19861 14.3104 3.16157 in (null):R-9999 (31) other bump:2.70669 Ang CG(210) at 3.43153 16.1798 1.39182 in (null):P-9999 (28) and CG(233) at 2.82009 14.756 3.61113 in (null):R-9999 (31) other bump:2.23922 Ang CD2(165) at 4.27982 21.6806 -0.206922 in (null):L-9999 (22) and CD(218) at 2.29 20.677 -0.425 in (null):P-9999 (29) other bump:2.56855 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and C(213) at 2.81 19.246 1.543 in (null):P-9999 (28) other bump:2.31669 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and CA(208) at 3.81 18.456 0.718 in (null):P-9999 (28) other bump:2.16801 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and N(207) at 4.85 17.977 1.617 in (null):P-9999 (28) other bump:3.05974 Ang CG(163) at 5.15766 21.5544 1.02084 in (null):L-9999 (22) and C(206) at 5.914 18.727 1.913 in (null):F-9999 (27) other bump:1.59487 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and C(206) at 5.914 18.727 1.913 in (null):F-9999 (27) other bump:2.01533 Ang CG(163) at 5.15766 21.5544 1.02084 in (null):L-9999 (22) and O(205) at 6.124 19.831 1.418 in (null):F-9999 (27) other bump:0.941235 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and O(205) at 6.124 19.831 1.418 in (null):F-9999 (27) other bump:2.51369 Ang CG1(184) at 8.08281 19.4121 7.30429 in (null):V-9999 (25) and CZ(204) at 8.21159 16.9421 7.75271 in (null):F-9999 (27) other bump:2.62947 Ang CB(183) at 8.30249 20.8682 6.93658 in (null):V-9999 (25) and CE1(202) at 8.3963 18.2721 7.34394 in (null):F-9999 (27) other bump:1.18299 Ang CG1(184) at 8.08281 19.4121 7.30429 in (null):V-9999 (25) and CE1(202) at 8.3963 18.2721 7.34394 in (null):F-9999 (27) other bump:2.31881 Ang CB(183) at 8.30249 20.8682 6.93658 in (null):V-9999 (25) and CD1(200) at 7.70502 18.7498 6.20682 in (null):F-9999 (27) other bump:1.33635 Ang CG1(184) at 8.08281 19.4121 7.30429 in (null):V-9999 (25) and CD1(200) at 7.70502 18.7498 6.20682 in (null):F-9999 (27) other bump:2.65445 Ang CG1(184) at 8.08281 19.4121 7.30429 in (null):V-9999 (25) and CG(199) at 6.84046 17.92 5.49428 in (null):F-9999 (27) other bump:2.9271 Ang CD1(164) at 5.22905 20.1088 1.50653 in (null):L-9999 (22) and CA(197) at 6.892 18.151 2.91 in (null):F-9999 (27) other bump:2.55741 Ang CE2(107) at -4.61145 25.4291 3.43092 in (null):F-9999 (15) and SG(132) at -2.33295 25.0252 4.51979 in (null):C-9999 (18) other bump:1.30935 Ang CE1(106) at -2.76104 26.2556 4.65174 in (null):F-9999 (15) and SG(132) at -2.33295 25.0252 4.51979 in (null):C-9999 (18) other bump:1.37609 Ang CZ(108) at -3.68478 25.2543 4.40276 in (null):F-9999 (15) and SG(132) at -2.33295 25.0252 4.51979 in (null):C-9999 (18) other bump:2.51814 Ang CD1(104) at -2.79627 27.4249 3.91302 in (null):F-9999 (15) and SG(132) at -2.33295 25.0252 4.51979 in (null):C-9999 (18) other bump:2.43758 Ang CE1(106) at -2.76104 26.2556 4.65174 in (null):F-9999 (15) and CB(131) at -0.901219 25.255 3.43445 in (null):C-9999 (18) other bump:2.94718 Ang CZ(108) at -3.68478 25.2543 4.40276 in (null):F-9999 (15) and CB(131) at -0.901219 25.255 3.43445 in (null):C-9999 (18) other bump:2.92033 Ang CD1(104) at -2.79627 27.4249 3.91302 in (null):F-9999 (15) and CB(131) at -0.901219 25.255 3.43445 in (null):C-9999 (18) other bump:2.93105 Ang CA(80) at -6.104 24.812 0.985 in (null):M-9999 (12) and CE2(107) at -4.61145 25.4291 3.43092 in (null):F-9999 (15) other bump:2.74859 Ang C(86) at -4.6 24.685 0.785 in (null):M-9999 (12) and CE2(107) at -4.61145 25.4291 3.43092 in (null):F-9999 (15) other bump:2.86327 Ang CG(82) at -6.35345 23.2083 2.94953 in (null):M-9999 (12) and CE2(107) at -4.61145 25.4291 3.43092 in (null):F-9999 (15) other bump:2.05504 Ang O(85) at -3.813 25.238 1.547 in (null):M-9999 (12) and CE2(107) at -4.61145 25.4291 3.43092 in (null):F-9999 (15) other bump:2.86287 Ang CA(80) at -6.104 24.812 0.985 in (null):M-9999 (12) and CD2(105) at -4.66245 26.6055 2.68834 in (null):F-9999 (15) other bump:2.70461 Ang C(86) at -4.6 24.685 0.785 in (null):M-9999 (12) and CD2(105) at -4.66245 26.6055 2.68834 in (null):F-9999 (15) other bump:1.97339 Ang O(85) at -3.813 25.238 1.547 in (null):M-9999 (12) and CD2(105) at -4.66245 26.6055 2.68834 in (null):F-9999 (15) other bump:2.20377 Ang CG2(75) at -5.77724 26.5382 -3.88339 in (null):T-9999 (11) and OE1(96) at -4.90497 28.0667 -5.20985 in (null):E-9999 (14) other bump:2.25005 Ang CG2(75) at -5.77724 26.5382 -3.88339 in (null):T-9999 (11) and CD(95) at -4.21415 27.0438 -5.42088 in (null):E-9999 (14) other bump:2.55341 Ang CG2(75) at -5.77724 26.5382 -3.88339 in (null):T-9999 (11) and CG(94) at -3.26736 26.5347 -4.35285 in (null):E-9999 (14) other bump:2.89644 Ang CA(26) at -8.163 18.692 3.956 in (null):D-9999 (5) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:2.22612 Ang OG(36) at -10.082 21.8214 1.47826 in (null):S-9999 (6) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:1.4982 Ang O(31) at -8.916 19.917 2.042 in (null):D-9999 (5) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:2.03476 Ang C(32) at -9.163 19.538 3.186 in (null):D-9999 (5) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:2.83376 Ang N(33) at -10.29 19.847 3.816 in (null):S-9999 (6) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:2.388 Ang CB(35) at -10.3846 22.0073 2.84983 in (null):S-9999 (6) and CE(84) at -8.18793 21.1629 2.44488 in (null):M-9999 (12) other bump:3.22272 Ang CA(26) at -8.163 18.692 3.956 in (null):D-9999 (5) and SD(83) at -6.63984 21.4487 3.27293 in (null):M-9999 (12) other bump:2.70534 Ang CB(35) at -10.3846 22.0073 2.84983 in (null):S-9999 (6) and CE1(67) at -11.277 24.536 3.208 in (null):F-9999 (10) neighbor-bump: 1.63233 Ang O(47) at -13.366 18.653 -1.478 in (null):H-9999 (7) and OG1(53) at -12.543 18.1617 -2.79929 in (null):T-9999 (8) neighbor-bump: 2.21309 Ang C(48) at -12.442 18.774 -0.675 in (null):H-9999 (7) and OG1(53) at -12.543 18.1617 -2.79929 in (null):T-9999 (8) other bump:2.21398 Ang CA(16) at -12.645 16.143 5.879 in (null):G-9999 (3) and NE2(46) at -13.9068 15.7428 4.10431 in (null):H-9999 (7) other bump:2.81482 Ang CA(16) at -12.645 16.143 5.879 in (null):G-9999 (3) and CD2(43) at -13.1946 16.4022 3.13056 in (null):H-9999 (7) T0147_twice 233 :SRGMAPIAEFADLMYPV 1hw6A 218 :VLRWHLQKGFVVFPKSV Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.14163 Ang O(103) at -6.795 8.387 4.262 in (null):M-9999 (14) and CD(121) at -6.53277 7.121 2.55465 in (null):P-9999 (16) other bump:2.04767 Ang NH2(16) at -3.6139 12.7368 2.38386 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:2.74769 Ang CG(11) at -2.77293 14.7525 6.57642 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:1.61022 Ang CD(12) at -2.27986 13.6802 5.64184 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:0.367035 Ang NE(13) at -3.15795 13.5532 4.47386 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:0.971932 Ang CZ(14) at -2.8158 12.8019 3.44414 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:1.96511 Ang NH1(15) at -1.69701 12.0582 3.47864 in (null):R-9999 (2) and CE(102) at -3.00896 13.296 4.25849 in (null):M-9999 (14) other bump:3.31548 Ang NH2(16) at -3.6139 12.7368 2.38386 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:2.8327 Ang CG(11) at -2.77293 14.7525 6.57642 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:1.70964 Ang CD(12) at -2.27986 13.6802 5.64184 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:1.82484 Ang NE(13) at -3.15795 13.5532 4.47386 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:2.24142 Ang CZ(14) at -2.8158 12.8019 3.44414 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:2.4414 Ang NH1(15) at -1.69701 12.0582 3.47864 in (null):R-9999 (2) and SD(101) at -2.95271 12.1101 5.57172 in (null):M-9999 (14) other bump:3.07691 Ang CD(12) at -2.27986 13.6802 5.64184 in (null):R-9999 (2) and CG(100) at -4.69696 11.8037 5.9642 in (null):M-9999 (14) other bump:2.76593 Ang NE(13) at -3.15795 13.5532 4.47386 in (null):R-9999 (2) and CG(100) at -4.69696 11.8037 5.9642 in (null):M-9999 (14) neighbor-bump: 2.86511 Ang OD1(85) at -6.60326 11.6517 8.4537 in (null):D-9999 (12) and C(96) at -8.133 9.696 7.024 in (null):L-9999 (13) other bump:1.59312 Ang O(17) at -1.833 16.261 10.62 in (null):R-9999 (2) and CD(40) at -2.03632 16.2829 12.1999 in (null):P-9999 (6) other bump:2.75888 Ang C(18) at -1.34 16.606 9.55 in (null):R-9999 (2) and CD(40) at -2.03632 16.2829 12.1999 in (null):P-9999 (6) other bump:2.94759 Ang C(22) at 0.08 18.248 11.61 in (null):G-9999 (3) and CD(40) at -2.03632 16.2829 12.1999 in (null):P-9999 (6) other bump:2.20342 Ang O(17) at -1.833 16.261 10.62 in (null):R-9999 (2) and CG(39) at -1.33809 14.9406 12.3131 in (null):P-9999 (6) other bump:3.2262 Ang C(18) at -1.34 16.606 9.55 in (null):R-9999 (2) and CG(39) at -1.33809 14.9406 12.3131 in (null):P-9999 (6) T0147_twice 272 :AKQKGIKLFAIT 1hw6A 235 :RRERLEENLDVF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 11 total=684 Number of alignments=59 # 1hzyA read from T0147_twice.t2k-2track-undertaker.a2m # found chain 1hzyA in template set T0147_twice 104 :VFAPHDK 1hzyA 104 :FDIGRDV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.85746 Ang CD2(36) at 34.92 -7.72379 20.7817 in (null):H-9999 (5) and CG(53) at 32.2909 -7.32009 19.7378 in (null):K-9999 (7) other bump:2.38386 Ang NE2(39) at 33.9727 -6.92948 21.3815 in (null):H-9999 (5) and CG(53) at 32.2909 -7.32009 19.7378 in (null):K-9999 (7) self-bump: 2.17032 Ang CA(26) at 39.302 -13.152 22.329 in (null):P-9999 (4) and CD(29) at 41.2054 -13.1969 23.3707 in (null):P-9999 (4) neighbor-bump: 1.60345 Ang O(23) at 40.615 -12.153 24.435 in (null):A-9999 (3) and CD(29) at 41.2054 -13.1969 23.3707 in (null):P-9999 (4) neighbor-bump: 1.31855 Ang C(24) at 41.1 -11.883 23.338 in (null):A-9999 (3) and CD(29) at 41.2054 -13.1969 23.3707 in (null):P-9999 (4) neighbor-bump: 2.46481 Ang CA(21) at 42.391 -11.048 23.143 in (null):A-9999 (3) and CD(29) at 41.2054 -13.1969 23.3707 in (null):P-9999 (4) neighbor-bump: 2.69702 Ang C(24) at 41.1 -11.883 23.338 in (null):A-9999 (3) and CG(28) at 41.0905 -14.4727 22.5849 in (null):P-9999 (4) T0147_twice 115 :QAMIATIASGNVHIISHPGNPK 1hzyA 111 :SLLAEVSRAADVHIVAATGLWF Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.46704 Ang CA(136) at 45.475 -6.378 17.329 in (null):N-9999 (20) and CD(147) at 45.2785 -7.97726 19.1972 in (null):P-9999 (21) self-bump: 1.38996 Ang N(143) at 46.439 -7.225 19.336 in (null):P-9999 (21) and CD(147) at 45.2785 -7.97726 19.1972 in (null):P-9999 (21) neighbor-bump: 2.45244 Ang CA(115) at 37.806 -2.151 20.455 in (null):H-9999 (17) and CD(128) at 38.0334 -1.28644 18.1713 in (null):P-9999 (18) neighbor-bump: 2.06309 Ang C(123) at 38.012 -3.04 19.258 in (null):H-9999 (17) and CD(128) at 38.0334 -1.28644 18.1713 in (null):P-9999 (18) other bump:2.37751 Ang CG1(47) at 28.4582 -3.51793 28.0668 in (null):I-9999 (7) and CD1(97) at 30.519 -3.926 29.18 in (null):I-9999 (14) other bump:2.79833 Ang CE(21) at 33.2627 -4.37971 25.1302 in (null):M-9999 (3) and CG2(96) at 32.388 -2.585 27.091 in (null):I-9999 (14) other bump:2.97074 Ang CD1(49) at 28.9024 -3.15837 26.6543 in (null):I-9999 (7) and CG1(95) at 30.638 -2.397 28.942 in (null):I-9999 (14) other bump:2.60268 Ang CG1(47) at 28.4582 -3.51793 28.0668 in (null):I-9999 (7) and CG1(95) at 30.638 -2.397 28.942 in (null):I-9999 (14) other bump:2.58421 Ang CD1(49) at 28.9024 -3.15837 26.6543 in (null):I-9999 (7) and CB(94) at 31.029 -1.971 27.518 in (null):I-9999 (14) other bump:3.05009 Ang CG1(47) at 28.4582 -3.51793 28.0668 in (null):I-9999 (7) and CB(94) at 31.029 -1.971 27.518 in (null):I-9999 (14) other bump:2.58158 Ang CG2(48) at 26.4498 -1.9596 28.2293 in (null):I-9999 (7) and O(80) at 27.545 -0.682 30.187 in (null):V-9999 (12) T0147_twice 137 :YEIDVKAVAEAAA 1hzyA 143 :VEELTQFFLREIQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.2983 Ang CE2(9) at 50.9069 0.195573 3.00839 in (null):Y-9999 (1) and OE1(19) at 49.849 -0.724 1.187 in (null):E-9999 (2) neighbor-bump: 2.73161 Ang CZ(10) at 50.06 1.24647 3.067 in (null):Y-9999 (1) and OE1(19) at 49.849 -0.724 1.187 in (null):E-9999 (2) neighbor-bump: 2.99985 Ang CE2(9) at 50.9069 0.195573 3.00839 in (null):Y-9999 (1) and CD(18) at 49.01 -1.556 1.481 in (null):E-9999 (2) T0147_twice 150 :KHQV 1hzyA 160 :DTGI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 154 :ALEINNSS 1hzyA 167 :IIKVATTG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.01381 Ang O(52) at 58.693 -6.733 23.641 in (null):S-9999 (7) and OG(57) at 60.5343 -6.40226 24.3865 in (null):S-9999 (8) neighbor-bump: 2.65399 Ang C(53) at 58.018 -5.72 23.89 in (null):S-9999 (7) and OG(57) at 60.5343 -6.40226 24.3865 in (null):S-9999 (8) neighbor-bump: 2.12609 Ang O(52) at 58.693 -6.733 23.641 in (null):S-9999 (7) and CB(56) at 60.4624 -5.64371 23.1906 in (null):S-9999 (8) neighbor-bump: 2.54365 Ang C(53) at 58.018 -5.72 23.89 in (null):S-9999 (7) and CB(56) at 60.4624 -5.64371 23.1906 in (null):S-9999 (8) neighbor-bump: 2.7052 Ang CG2(28) at 49.9383 -0.913066 18.6848 in (null):I-9999 (4) and N(32) at 49.743 -3.127 20.227 in (null):N-9999 (5) T0147_twice 164 :HSRKGSEDNCREVAAAVRDAGGWVAL 1hzyA 175 :KATPFQELVLKAAARASLATGVPVTT Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.12945 Ang CE3(167) at 42.3797 4.9848 22.628 in (null):W-9999 (23) and CB(183) at 44.28 2.751 23.72 in (null):A-9999 (25) other bump:2.13793 Ang CZ3(170) at 42.4966 3.91315 23.5212 in (null):W-9999 (23) and CB(183) at 44.28 2.751 23.72 in (null):A-9999 (25) other bump:3.00955 Ang CH2(171) at 41.3571 3.33721 24.133 in (null):W-9999 (23) and CB(183) at 44.28 2.751 23.72 in (null):A-9999 (25) neighbor-bump: 3.09632 Ang CE3(167) at 42.3797 4.9848 22.628 in (null):W-9999 (23) and C(180) at 44.878 4.443 20.881 in (null):V-9999 (24) other bump:2.45473 Ang CG2(125) at 43.3216 5.41576 15.2382 in (null):V-9999 (17) and CG2(178) at 44.963 4.91 16.992 in (null):V-9999 (24) other bump:3.07791 Ang CG1(102) at 45.7589 2.15804 15.7933 in (null):V-9999 (13) and CG1(177) at 46.389 3.45 18.515 in (null):V-9999 (24) T0147_twice 194 :HTAFTMGEFEECLKILDAVDFPPERI 1hzyA 201 :HTAASQRDGEQQAAIFESEGLSPSRV Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.94173 Ang CD2(103) at 53.3136 8.98132 20.8616 in (null):L-9999 (13) and CD1(209) at 50.5969 8.413 19.8869 in (null):I-9999 (26) other bump:2.85324 Ang CD2(164) at 48.1446 9.12073 16.4343 in (null):F-9999 (21) and CG2(208) at 47.7819 7.66526 18.8615 in (null):I-9999 (26) other bump:1.87289 Ang CE2(166) at 47.3286 8.91427 17.5415 in (null):F-9999 (21) and CG2(208) at 47.7819 7.66526 18.8615 in (null):I-9999 (26) other bump:2.5434 Ang CZ(167) at 45.9954 8.68878 17.3682 in (null):F-9999 (21) and CG2(208) at 47.7819 7.66526 18.8615 in (null):I-9999 (26) other bump:3.10454 Ang CE2(166) at 47.3286 8.91427 17.5415 in (null):F-9999 (21) and CB(206) at 48.1523 7.84419 20.337 in (null):I-9999 (26) other bump:2.80554 Ang CZ(167) at 45.9954 8.68878 17.3682 in (null):F-9999 (21) and C(203) at 45.097 9.382 19.934 in (null):R-9999 (25) other bump:2.70379 Ang CE1(165) at 45.4667 8.70174 16.1052 in (null):F-9999 (21) and CB(195) at 44.396 10.446 17.872 in (null):R-9999 (25) other bump:2.42896 Ang CZ(167) at 45.9954 8.68878 17.3682 in (null):F-9999 (21) and CB(195) at 44.396 10.446 17.872 in (null):R-9999 (25) other bump:3.16865 Ang CZ(167) at 45.9954 8.68878 17.3682 in (null):F-9999 (21) and CA(194) at 44.549 10.68 19.364 in (null):R-9999 (25) neighbor-bump: 2.82583 Ang CE2(166) at 47.3286 8.91427 17.5415 in (null):F-9999 (21) and O(175) at 47.525 11.732 17.626 in (null):P-9999 (22) other bump:2.03889 Ang CE1(30) at 53.3544 3.23468 29.3541 in (null):F-9999 (4) and CZ(71) at 52.6056 3.78604 27.5397 in (null):F-9999 (9) other bump:2.51047 Ang CZ(32) at 52.2878 2.37814 29.5938 in (null):F-9999 (4) and CZ(71) at 52.6056 3.78604 27.5397 in (null):F-9999 (9) other bump:2.08904 Ang CE1(30) at 53.3544 3.23468 29.3541 in (null):F-9999 (4) and CE2(70) at 53.413 4.79109 27.9619 in (null):F-9999 (9) other bump:3.12272 Ang CZ(32) at 52.2878 2.37814 29.5938 in (null):F-9999 (4) and CE2(70) at 53.413 4.79109 27.9619 in (null):F-9999 (9) other bump:3.08871 Ang CE1(30) at 53.3544 3.23468 29.3541 in (null):F-9999 (4) and CE1(69) at 52.7998 3.21971 26.3157 in (null):F-9999 (9) other bump:2.36722 Ang CG2(15) at 53.683 1.236 25.373 in (null):T-9999 (2) and CE1(69) at 52.7998 3.21971 26.3157 in (null):F-9999 (9) other bump:2.457 Ang CG2(15) at 53.683 1.236 25.373 in (null):T-9999 (2) and CD1(67) at 53.8524 3.68459 25.485 in (null):F-9999 (9) other bump:2.20221 Ang CB(21) at 57.844 -3.532 27.263 in (null):A-9999 (3) and OE2(60) at 57.1734 -3.37416 25.1713 in (null):E-9999 (8) other bump:2.39287 Ang CA(13) at 53.751 -1.252 26.087 in (null):T-9999 (2) and OE1(59) at 55.4211 -2.11649 24.6074 in (null):E-9999 (8) other bump:2.73294 Ang C(18) at 54.463 -2.048 27.166 in (null):T-9999 (2) and OE1(59) at 55.4211 -2.11649 24.6074 in (null):E-9999 (8) other bump:3.21186 Ang CA(20) at 56.784 -2.664 27.936 in (null):A-9999 (3) and CD(58) at 56.6524 -2.31936 24.7454 in (null):E-9999 (8) other bump:3.03787 Ang CB(21) at 57.844 -3.532 27.263 in (null):A-9999 (3) and CD(58) at 56.6524 -2.31936 24.7454 in (null):E-9999 (8) other bump:2.4343 Ang N(19) at 55.791 -2.094 27.011 in (null):A-9999 (3) and CD(58) at 56.6524 -2.31936 24.7454 in (null):E-9999 (8) other bump:2.891 Ang OG1(16) at 53.877 0.609 27.761 in (null):T-9999 (2) and CE2(31) at 52.5008 1.17079 30.2406 in (null):F-9999 (4) T0147_twice 349 :VFAPHDKATNTQAMIATIASGNVHIISHPGNPKYEIDVKAVAEAA 1hzyA 227 :CIGHSDDTDDLSYLTALAARGYLIGLDHIPHSAIGLEDNASASAL Fragment has 107 clashes (null) has 107 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.23986 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and N(327) at 54.101 -11.163 36.119 in (null):A-9999 (45) other bump:2.88422 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and CA(323) at 56.425 -11.687 36.571 in (null):A-9999 (44) other bump:2.03313 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and N(322) at 56.058 -12.023 37.917 in (null):A-9999 (44) other bump:2.26882 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and C(321) at 55.889 -11.073 38.852 in (null):E-9999 (43) other bump:2.58415 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and C(321) at 55.889 -11.073 38.852 in (null):E-9999 (43) other bump:2.77422 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and C(321) at 55.889 -11.073 38.852 in (null):E-9999 (43) other bump:2.21167 Ang O(278) at 58.361 -14.447 44.778 in (null):D-9999 (37) and OE2(319) at 58.3511 -13.4497 42.804 in (null):E-9999 (43) other bump:1.96715 Ang O(278) at 58.361 -14.447 44.778 in (null):D-9999 (37) and OE1(318) at 57.1967 -12.8754 44.568 in (null):E-9999 (43) other bump:1.66406 Ang C(279) at 57.492 -14.151 45.595 in (null):D-9999 (37) and OE1(318) at 57.1967 -12.8754 44.568 in (null):E-9999 (43) other bump:1.34933 Ang CA(273) at 57.117 -12.696 45.903 in (null):D-9999 (37) and OE1(318) at 57.1967 -12.8754 44.568 in (null):E-9999 (43) other bump:2.66285 Ang CB(274) at 58.1486 -12.0969 46.9299 in (null):D-9999 (37) and OE1(318) at 57.1967 -12.8754 44.568 in (null):E-9999 (43) other bump:2.36449 Ang O(278) at 58.361 -14.447 44.778 in (null):D-9999 (37) and CD(317) at 57.3717 -12.8696 43.3207 in (null):E-9999 (43) other bump:2.61327 Ang C(279) at 57.492 -14.151 45.595 in (null):D-9999 (37) and CD(317) at 57.3717 -12.8696 43.3207 in (null):E-9999 (43) other bump:2.60068 Ang CA(273) at 57.117 -12.696 45.903 in (null):D-9999 (37) and CD(317) at 57.3717 -12.8696 43.3207 in (null):E-9999 (43) other bump:3.11843 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and CB(315) at 56.7049 -12.0183 40.9962 in (null):E-9999 (43) other bump:2.59906 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and CA(314) at 55.492 -11.593 40.199 in (null):E-9999 (43) other bump:3.11062 Ang CG(237) at 52.8731 -10.2797 41.2443 in (null):K-9999 (33) and CA(314) at 55.492 -11.593 40.199 in (null):E-9999 (43) other bump:1.77609 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and CA(314) at 55.492 -11.593 40.199 in (null):E-9999 (43) other bump:2.64297 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and CA(314) at 55.492 -11.593 40.199 in (null):E-9999 (43) other bump:2.05968 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and N(313) at 54.527 -12.68 40.055 in (null):E-9999 (43) other bump:3.14821 Ang CG(237) at 52.8731 -10.2797 41.2443 in (null):K-9999 (33) and N(313) at 54.527 -12.68 40.055 in (null):E-9999 (43) other bump:1.76095 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and N(313) at 54.527 -12.68 40.055 in (null):E-9999 (43) other bump:2.16231 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and N(313) at 54.527 -12.68 40.055 in (null):E-9999 (43) other bump:1.58816 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and C(312) at 53.316 -12.432 39.509 in (null):A-9999 (42) other bump:2.79997 Ang CG(237) at 52.8731 -10.2797 41.2443 in (null):K-9999 (33) and C(312) at 53.316 -12.432 39.509 in (null):A-9999 (42) other bump:1.64224 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and C(312) at 53.316 -12.432 39.509 in (null):A-9999 (42) other bump:1.16686 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and C(312) at 53.316 -12.432 39.509 in (null):A-9999 (42) other bump:1.70405 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and O(311) at 52.987 -11.299 39.142 in (null):A-9999 (42) other bump:2.33916 Ang CG(237) at 52.8731 -10.2797 41.2443 in (null):K-9999 (33) and O(311) at 52.987 -11.299 39.142 in (null):A-9999 (42) other bump:1.471 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and O(311) at 52.987 -11.299 39.142 in (null):A-9999 (42) other bump:0.217076 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and O(311) at 52.987 -11.299 39.142 in (null):A-9999 (42) other bump:2.5523 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and CA(309) at 52.363 -13.611 39.391 in (null):A-9999 (42) other bump:3.03844 Ang CD(238) at 53.7905 -11.1097 40.3596 in (null):K-9999 (33) and CA(309) at 52.363 -13.611 39.391 in (null):A-9999 (42) other bump:2.38214 Ang CE(239) at 53.1378 -11.39 39.0151 in (null):K-9999 (33) and CA(309) at 52.363 -13.611 39.391 in (null):A-9999 (42) other bump:2.29006 Ang NZ(240) at 54.0402 -12.166 38.1208 in (null):K-9999 (33) and O(306) at 53.428 -14.003 36.898 in (null):V-9999 (41) neighbor-bump: 2.03554 Ang O(253) at 51.904 -8.668 47.767 in (null):Y-9999 (34) and CB(257) at 51.6973 -9.72848 49.4921 in (null):E-9999 (35) neighbor-bump: 2.51339 Ang C(254) at 53.129 -8.652 47.729 in (null):Y-9999 (34) and CB(257) at 51.6973 -9.72848 49.4921 in (null):E-9999 (35) other bump:2.14184 Ang O(217) at 47.092 -4.329 42.004 in (null):G-9999 (30) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) other bump:2.4801 Ang C(218) at 47.16 -3.39 41.191 in (null):G-9999 (30) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) neighbor-bump: 2.53427 Ang N(219) at 47.934 -3.392 40.109 in (null):N-9999 (31) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) neighbor-bump: 2.23471 Ang CA(220) at 48.788 -4.525 39.787 in (null):N-9999 (31) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) neighbor-bump: 2.35779 Ang O(225) at 50.923 -3.721 40.547 in (null):N-9999 (31) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) neighbor-bump: 1.54549 Ang C(226) at 50.039 -4.582 40.666 in (null):N-9999 (31) and CD(231) at 49.2257 -4.51427 41.9784 in (null):P-9999 (32) neighbor-bump: 2.40448 Ang O(225) at 50.923 -3.721 40.547 in (null):N-9999 (31) and CG(230) at 50.1783 -3.72679 42.8333 in (null):P-9999 (32) neighbor-bump: 2.33405 Ang C(226) at 50.039 -4.582 40.666 in (null):N-9999 (31) and CG(230) at 50.1783 -3.72679 42.8333 in (null):P-9999 (32) other bump:2.87889 Ang CA(199) at 48.014 -0.84 36.075 in (null):H-9999 (28) and ND2(223) at 47.6996 -3.6159 36.7704 in (null):N-9999 (31) other bump:2.81268 Ang C(197) at 46.514 0.434 34.67 in (null):S-9999 (27) and CD(212) at 46.3655 1.2939 37.3439 in (null):P-9999 (29) neighbor-bump: 2.56449 Ang N(198) at 47.673 0.369 35.341 in (null):H-9999 (28) and CD(212) at 46.3655 1.2939 37.3439 in (null):P-9999 (29) other bump:2.32996 Ang CE(55) at 51.696 -2.75299 31.9425 in (null):K-9999 (7) and CE1(204) at 49.813 -3.724 32.912 in (null):H-9999 (28) other bump:2.30626 Ang CE(55) at 51.696 -2.75299 31.9425 in (null):K-9999 (7) and ND1(203) at 50.294 -2.83 33.772 in (null):H-9999 (28) other bump:3.48802 Ang NZ(56) at 51.5461 -3.22369 30.5404 in (null):K-9999 (7) and ND1(203) at 50.294 -2.83 33.772 in (null):H-9999 (28) other bump:1.90413 Ang CG2(180) at 45.9154 3.76255 30.1605 in (null):I-9999 (25) and OG(195) at 45.5349 2.63756 31.6489 in (null):S-9999 (27) other bump:2.80502 Ang CB(44) at 51.39 3.278 36.177 in (null):D-9999 (6) and CG2(188) at 49.2909 5.13389 36.3089 in (null):I-9999 (26) other bump:2.91784 Ang CD2(170) at 51.2371 8.01066 32.3309 in (null):H-9999 (24) and CG1(187) at 49.7077 6.85964 34.5332 in (null):I-9999 (26) other bump:3.08493 Ang NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) and CG1(187) at 49.7077 6.85964 34.5332 in (null):I-9999 (26) other bump:2.87517 Ang CB(4) at 45.861 6.27949 25.3187 in (null):V-9999 (1) and CD1(181) at 45.747 6.14652 28.1885 in (null):I-9999 (25) other bump:1.50376 Ang CG1(5) at 46.1584 5.88082 26.7667 in (null):V-9999 (1) and CD1(181) at 45.747 6.14652 28.1885 in (null):I-9999 (25) other bump:1.70426 Ang CG1(5) at 46.1584 5.88082 26.7667 in (null):V-9999 (1) and CG1(179) at 46.6949 4.96711 28.1015 in (null):I-9999 (25) other bump:2.3831 Ang CB(34) at 51.9606 5.02953 31.1768 in (null):H-9999 (5) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:0.518851 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:1.40521 Ang CG(35) at 52.7501 6.24972 31.5551 in (null):H-9999 (5) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:2.67334 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:1.87952 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:2.22834 Ang CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) and NE2(173) at 52.0866 6.95777 32.5715 in (null):H-9999 (24) other bump:1.69333 Ang CB(34) at 51.9606 5.02953 31.1768 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:1.25702 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:2.9549 Ang CA(33) at 52.716 3.612 31.511 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:0.358754 Ang CG(35) at 52.7501 6.24972 31.5551 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:1.39283 Ang ND1(37) at 53.9162 6.61761 30.9098 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:2.11645 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:2.06376 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:2.99037 Ang CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) and CE1(172) at 52.6272 6.56459 31.4348 in (null):H-9999 (24) other bump:2.41076 Ang CB(34) at 51.9606 5.02953 31.1768 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:2.11018 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:1.64001 Ang CG(35) at 52.7501 6.24972 31.5551 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:1.9465 Ang ND1(37) at 53.9162 6.61761 30.9098 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:2.49561 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:2.57283 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and ND1(171) at 52.1576 7.32532 30.4681 in (null):H-9999 (24) other bump:1.57892 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and CD2(170) at 51.2371 8.01066 32.3309 in (null):H-9999 (24) other bump:2.44784 Ang CG(35) at 52.7501 6.24972 31.5551 in (null):H-9999 (5) and CD2(170) at 51.2371 8.01066 32.3309 in (null):H-9999 (24) other bump:2.36981 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CD2(170) at 51.2371 8.01066 32.3309 in (null):H-9999 (24) other bump:2.57916 Ang CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) and CD2(170) at 51.2371 8.01066 32.3309 in (null):H-9999 (24) other bump:2.26882 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and CG(169) at 51.2789 8.24585 30.9998 in (null):H-9999 (24) other bump:2.54112 Ang CG(35) at 52.7501 6.24972 31.5551 in (null):H-9999 (5) and CG(169) at 51.2789 8.24585 30.9998 in (null):H-9999 (24) other bump:2.75287 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CG(169) at 51.2789 8.24585 30.9998 in (null):H-9999 (24) other bump:3.04562 Ang CG2(6) at 44.7604 7.38918 25.2943 in (null):V-9999 (1) and CG1(162) at 45.7876 9.49853 27.2363 in (null):V-9999 (23) other bump:2.33191 Ang CE2(16) at 52.2906 8.19746 22.6613 in (null):F-9999 (2) and OD1(156) at 51.7695 10.2527 21.6906 in (null):N-9999 (22) other bump:3.10976 Ang CG2(124) at 53.9771 10.0093 25.4609 in (null):T-9999 (17) and ND2(155) at 53.5396 11.2552 22.6455 in (null):N-9999 (22) other bump:2.57404 Ang CE2(16) at 52.2906 8.19746 22.6613 in (null):F-9999 (2) and CG(154) at 52.3053 10.7714 22.6741 in (null):N-9999 (22) other bump:3.09874 Ang CE2(16) at 52.2906 8.19746 22.6613 in (null):F-9999 (2) and CB(153) at 51.5639 10.9038 23.9842 in (null):N-9999 (22) other bump:1.86573 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) other bump:2.5214 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) other bump:1.28096 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CE(105) at 53.3985 8.36796 33.6921 in (null):M-9999 (14) other bump:2.99284 Ang CD2(36) at 52.5584 7.17043 32.5341 in (null):H-9999 (5) and SD(104) at 55.0709 7.82512 34.0225 in (null):M-9999 (14) other bump:2.6326 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and SD(104) at 55.0709 7.82512 34.0225 in (null):M-9999 (14) other bump:2.15408 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and SD(104) at 55.0709 7.82512 34.0225 in (null):M-9999 (14) other bump:1.74576 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and CG(103) at 55.8422 8.05522 32.4098 in (null):M-9999 (14) other bump:2.24035 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CG(103) at 55.8422 8.05522 32.4098 in (null):M-9999 (14) other bump:2.3125 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and CB(102) at 55.7826 9.50991 31.9369 in (null):M-9999 (14) other bump:2.66885 Ang NE2(39) at 53.6025 8.06369 32.4647 in (null):H-9999 (5) and CB(102) at 55.7826 9.50991 31.9369 in (null):M-9999 (14) other bump:3.01894 Ang CE1(38) at 54.4075 7.70831 31.4776 in (null):H-9999 (5) and CA(101) at 56.464 9.747 30.624 in (null):M-9999 (14) other bump:2.66825 Ang CB(27) at 50.3665 -0.878983 31.0203 in (null):P-9999 (4) and NZ(56) at 51.5461 -3.22369 30.5404 in (null):K-9999 (7) other bump:2.47587 Ang CB(27) at 50.3665 -0.878983 31.0203 in (null):P-9999 (4) and CE(55) at 51.696 -2.75299 31.9425 in (null):K-9999 (7) neighbor-bump: 2.51043 Ang CB(22) at 48.4858 1.04268 27.2509 in (null):A-9999 (3) and CD(29) at 50.1162 0.0384903 28.8743 in (null):P-9999 (4) neighbor-bump: 2.05343 Ang O(23) at 51.465 1.488 28.33 in (null):A-9999 (3) and CD(29) at 50.1162 0.0384903 28.8743 in (null):P-9999 (4) neighbor-bump: 1.59091 Ang C(24) at 50.314 1.612 28.748 in (null):A-9999 (3) and CD(29) at 50.1162 0.0384903 28.8743 in (null):P-9999 (4) self-bump: 2.21659 Ang CA(26) at 50.652 0.505 30.974 in (null):P-9999 (4) and CD(29) at 50.1162 0.0384903 28.8743 in (null):P-9999 (4) T0147_twice 410 :SRKGSEDNCREVAAAVRDAGG 1hzyA 272 :LGIRSWQTRALLIKALIDQGY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 2.48524 Ang O(6) at 52.918 -5.84 39.07 in (null):S-9999 (1) and CG(11) at 54.6856 -4.46939 37.9867 in (null):R-9999 (2) neighbor-bump: 2.07672 Ang O(6) at 52.918 -5.84 39.07 in (null):S-9999 (1) and CB(10) at 54.8097 -5.04314 39.3848 in (null):R-9999 (2) neighbor-bump: 2.57092 Ang C(7) at 53.245 -7.003 38.819 in (null):S-9999 (1) and CB(10) at 54.8097 -5.04314 39.3848 in (null):R-9999 (2) T0147_twice 431 :WVALGSD 1hzyA 295 :QILVSND Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 10 total=694 Number of alignments=60 # 1i0dA read from T0147_twice.t2k-2track-undertaker.a2m # found chain 1i0dA in template set T0147_twice 104 :VFAPHDK 1i0dA 104 :FDIGRDV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.4466 Ang NE2(39) at 34.0158 -6.91203 21.4225 in (null):H-9999 (5) and CG(53) at 32.3075 -7.33802 19.7237 in (null):K-9999 (7) self-bump: 2.18062 Ang CA(26) at 39.329 -13.159 22.339 in (null):P-9999 (4) and CD(29) at 41.2328 -13.1661 23.4023 in (null):P-9999 (4) neighbor-bump: 1.6018 Ang O(23) at 40.637 -12.119 24.458 in (null):A-9999 (3) and CD(29) at 41.2328 -13.1661 23.4023 in (null):P-9999 (4) neighbor-bump: 1.30587 Ang C(24) at 41.122 -11.866 23.349 in (null):A-9999 (3) and CD(29) at 41.2328 -13.1661 23.4023 in (null):P-9999 (4) neighbor-bump: 2.45243 Ang CA(21) at 42.416 -11.032 23.157 in (null):A-9999 (3) and CD(29) at 41.2328 -13.1661 23.4023 in (null):P-9999 (4) neighbor-bump: 2.6865 Ang C(24) at 41.122 -11.866 23.349 in (null):A-9999 (3) and CG(28) at 41.1395 -14.4567 22.6381 in (null):P-9999 (4) T0147_twice 115 :QAMIATIASGNVHIISHPGNPK 1i0dA 111 :SLLAEVSRAADVHIVAATGLWF Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.46874 Ang CA(115) at 37.837 -2.122 20.461 in (null):H-9999 (17) and CD(128) at 38.0822 -1.22686 18.1734 in (null):P-9999 (18) neighbor-bump: 2.08505 Ang C(123) at 38.059 -3.005 19.262 in (null):H-9999 (17) and CD(128) at 38.0822 -1.22686 18.1734 in (null):P-9999 (18) other bump:2.28389 Ang CG1(47) at 28.5289 -3.47899 28.0574 in (null):I-9999 (7) and CD1(97) at 30.485 -3.946 29.14 in (null):I-9999 (14) other bump:2.75809 Ang CE(21) at 33.3035 -4.38065 25.1396 in (null):M-9999 (3) and CG2(96) at 32.392 -2.589 27.028 in (null):I-9999 (14) other bump:2.8877 Ang CD1(49) at 28.9825 -3.10881 26.6507 in (null):I-9999 (7) and CG1(95) at 30.644 -2.427 28.912 in (null):I-9999 (14) other bump:2.51205 Ang CG1(47) at 28.5289 -3.47899 28.0574 in (null):I-9999 (7) and CG1(95) at 30.644 -2.427 28.912 in (null):I-9999 (14) other bump:2.46393 Ang CD1(49) at 28.9825 -3.10881 26.6507 in (null):I-9999 (7) and CB(94) at 31.028 -2.013 27.479 in (null):I-9999 (14) other bump:2.95448 Ang CG1(47) at 28.5289 -3.47899 28.0574 in (null):I-9999 (7) and CB(94) at 31.028 -2.013 27.479 in (null):I-9999 (14) other bump:2.54165 Ang CG2(48) at 26.5205 -1.92058 28.219 in (null):I-9999 (7) and O(80) at 27.55 -0.652 30.166 in (null):V-9999 (12) T0147_twice 137 :YEIDVKAVAEAAA 1i0dA 143 :VEELTQFFLREIQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0147_twice 150 :KHQV 1i0dA 160 :DTGI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 154 :ALEINNSS 1i0dA 167 :IIKVATTG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.06121 Ang O(52) at 58.808 -6.539 23.565 in (null):S-9999 (7) and OG(57) at 60.6593 -6.21784 24.4123 in (null):S-9999 (8) neighbor-bump: 2.68404 Ang C(53) at 58.126 -5.55 23.829 in (null):S-9999 (7) and OG(57) at 60.6593 -6.21784 24.4123 in (null):S-9999 (8) neighbor-bump: 2.06174 Ang O(52) at 58.808 -6.539 23.565 in (null):S-9999 (7) and CB(56) at 60.553 -5.50687 23.1901 in (null):S-9999 (8) neighbor-bump: 2.51003 Ang C(53) at 58.126 -5.55 23.829 in (null):S-9999 (7) and CB(56) at 60.553 -5.50687 23.1901 in (null):S-9999 (8) neighbor-bump: 2.85579 Ang C(31) at 48.705 -2.407 20.541 in (null):I-9999 (4) and CG(35) at 48.8302 -4.3656 22.6155 in (null):N-9999 (5) neighbor-bump: 2.53094 Ang O(30) at 48.482 -2.023 21.723 in (null):I-9999 (4) and CG(35) at 48.8302 -4.3656 22.6155 in (null):N-9999 (5) neighbor-bump: 2.67622 Ang CG2(28) at 49.942 -0.952997 18.6102 in (null):I-9999 (4) and N(32) at 49.799 -3.104 20.196 in (null):N-9999 (5) T0147_twice 164 :HSRKGSEDNCREVAAAVRDAGGWVAL 1i0dA 175 :KATPFQELVLKAAARASLATGVPVTT Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.13004 Ang CE3(167) at 42.4093 4.98838 22.6076 in (null):W-9999 (23) and CB(183) at 44.293 2.768 23.756 in (null):A-9999 (25) other bump:2.12113 Ang CZ3(170) at 42.5307 3.92175 23.5062 in (null):W-9999 (23) and CB(183) at 44.293 2.768 23.756 in (null):A-9999 (25) other bump:2.97891 Ang CH2(171) at 41.3941 3.34656 24.1238 in (null):W-9999 (23) and CB(183) at 44.293 2.768 23.756 in (null):A-9999 (25) other bump:3.14761 Ang CZ3(170) at 42.5307 3.92175 23.5062 in (null):W-9999 (23) and CA(182) at 45.445 3.003 22.751 in (null):A-9999 (25) neighbor-bump: 3.06427 Ang CE3(167) at 42.4093 4.98838 22.6076 in (null):W-9999 (23) and C(180) at 44.878 4.45 20.874 in (null):V-9999 (24) other bump:2.50354 Ang CG2(125) at 43.266 5.42211 15.2456 in (null):V-9999 (17) and CG2(178) at 44.962 4.853 16.997 in (null):V-9999 (24) other bump:3.11199 Ang CG1(102) at 45.7733 2.15315 15.7868 in (null):V-9999 (13) and CG1(177) at 46.43 3.453 18.537 in (null):V-9999 (24) T0147_twice 194 :HTAFTMGEFEECLKILDAVDFPPERI 1i0dA 201 :HTAASQRDGEQQAAIFESEGLSPSRV Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.87894 Ang CD2(103) at 53.2349 9.00564 20.8452 in (null):L-9999 (13) and CD1(209) at 50.5791 8.40504 19.9104 in (null):I-9999 (26) other bump:2.86751 Ang CD2(164) at 48.0759 9.14561 16.4451 in (null):F-9999 (21) and CG2(208) at 47.7715 7.64815 18.8715 in (null):I-9999 (26) other bump:1.92091 Ang CE2(166) at 47.2595 8.94871 17.5538 in (null):F-9999 (21) and CG2(208) at 47.7715 7.64815 18.8715 in (null):I-9999 (26) other bump:2.6145 Ang CZ(167) at 45.9226 8.74463 17.3833 in (null):F-9999 (21) and CG2(208) at 47.7715 7.64815 18.8715 in (null):I-9999 (26) other bump:3.24209 Ang CE2(166) at 47.2595 8.94871 17.5538 in (null):F-9999 (21) and C(203) at 45.09 9.364 19.927 in (null):R-9999 (25) other bump:2.74726 Ang CZ(167) at 45.9226 8.74463 17.3833 in (null):F-9999 (21) and C(203) at 45.09 9.364 19.927 in (null):R-9999 (25) other bump:2.78246 Ang CZ(167) at 45.9226 8.74463 17.3833 in (null):F-9999 (21) and O(202) at 44.519 8.283 19.741 in (null):R-9999 (25) other bump:2.61997 Ang CE1(165) at 45.3909 8.76959 16.1216 in (null):F-9999 (21) and CB(195) at 44.378 10.455 17.853 in (null):R-9999 (25) other bump:2.35198 Ang CZ(167) at 45.9226 8.74463 17.3833 in (null):F-9999 (21) and CB(195) at 44.378 10.455 17.853 in (null):R-9999 (25) other bump:3.08159 Ang CZ(167) at 45.9226 8.74463 17.3833 in (null):F-9999 (21) and CA(194) at 44.53 10.656 19.359 in (null):R-9999 (25) neighbor-bump: 2.83027 Ang CE2(166) at 47.2595 8.94871 17.5538 in (null):F-9999 (21) and O(175) at 47.46 11.771 17.624 in (null):P-9999 (22) other bump:2.26229 Ang CE1(30) at 53.2532 3.18247 29.534 in (null):F-9999 (4) and CZ(71) at 52.558 3.90794 27.5071 in (null):F-9999 (9) other bump:2.80027 Ang CZ(32) at 52.2247 2.27664 29.7586 in (null):F-9999 (4) and CZ(71) at 52.558 3.90794 27.5071 in (null):F-9999 (9) other bump:2.38444 Ang CE1(30) at 53.2532 3.18247 29.534 in (null):F-9999 (4) and CE2(70) at 53.3485 4.93162 27.9163 in (null):F-9999 (9) other bump:2.30792 Ang CG2(15) at 53.667 1.36 25.466 in (null):T-9999 (2) and CE1(69) at 52.7723 3.31819 26.2976 in (null):F-9999 (9) other bump:2.42367 Ang CG2(15) at 53.667 1.36 25.466 in (null):T-9999 (2) and CD1(67) at 53.8282 3.77831 25.4683 in (null):F-9999 (9) other bump:2.73987 Ang CA(20) at 56.822 -2.55 27.864 in (null):A-9999 (3) and OE2(60) at 57.224 -3.27179 25.2517 in (null):E-9999 (8) other bump:2.03082 Ang CB(21) at 57.874 -3.419 27.17 in (null):A-9999 (3) and OE2(60) at 57.224 -3.27179 25.2517 in (null):E-9999 (8) other bump:2.37708 Ang CA(13) at 53.766 -1.122 26.09 in (null):T-9999 (2) and OE1(59) at 55.4558 -2.0356 24.6899 in (null):E-9999 (8) other bump:2.63858 Ang C(18) at 54.489 -1.938 27.143 in (null):T-9999 (2) and OE1(59) at 55.4558 -2.0356 24.6899 in (null):E-9999 (8) other bump:2.30825 Ang N(19) at 55.815 -1.968 26.969 in (null):A-9999 (3) and OE1(59) at 55.4558 -2.0356 24.6899 in (null):E-9999 (8) other bump:3.06288 Ang CA(20) at 56.822 -2.55 27.864 in (null):A-9999 (3) and CD(58) at 56.6899 -2.2254 24.8212 in (null):E-9999 (8) other bump:2.8885 Ang CB(21) at 57.874 -3.419 27.17 in (null):A-9999 (3) and CD(58) at 56.6899 -2.2254 24.8212 in (null):E-9999 (8) other bump:2.33337 Ang N(19) at 55.815 -1.968 26.969 in (null):A-9999 (3) and CD(58) at 56.6899 -2.2254 24.8212 in (null):E-9999 (8) other bump:2.93735 Ang OG1(16) at 53.889 0.667 27.803 in (null):T-9999 (2) and CE2(31) at 52.4949 1.05679 30.3589 in (null):F-9999 (4) T0147_twice 349 :VFAPHDKATNTQAMIATIASGNVHIISHPGNPKYEIDVKAVAEAA 1i0dA 227 :CIGHSDDTDDLSYLTALAARGYLIGLDHIPHSAIGLEDNASASAL Fragment has 105 clashes (null) has 105 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.65365 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and N(332) at 52.614 -9.029 37.528 in (null):G-9999 (46) other bump:2.14445 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and N(327) at 54.087 -11.029 36.102 in (null):A-9999 (45) other bump:2.76591 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and CA(323) at 56.391 -11.516 36.486 in (null):A-9999 (44) other bump:1.88187 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and N(322) at 56.015 -11.853 37.851 in (null):A-9999 (44) other bump:2.11689 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and C(321) at 55.841 -10.918 38.8 in (null):E-9999 (43) other bump:2.4709 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and C(321) at 55.841 -10.918 38.8 in (null):E-9999 (43) other bump:2.62348 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and C(321) at 55.841 -10.918 38.8 in (null):E-9999 (43) other bump:2.60862 Ang CB(236) at 53.6809 -9.71401 42.5176 in (null):K-9999 (33) and OE2(319) at 54.7524 -11.683 43.8518 in (null):E-9999 (43) other bump:2.25714 Ang O(270) at 54.818 -13.717 44.828 in (null):I-9999 (36) and OE2(319) at 54.7524 -11.683 43.8518 in (null):E-9999 (43) other bump:2.47659 Ang C(271) at 54.782 -13.088 45.891 in (null):I-9999 (36) and OE2(319) at 54.7524 -11.683 43.8518 in (null):E-9999 (43) other bump:2.36355 Ang CB(236) at 53.6809 -9.71401 42.5176 in (null):K-9999 (33) and OE1(318) at 55.9699 -10.0816 42.9779 in (null):E-9999 (43) other bump:2.61668 Ang CB(236) at 53.6809 -9.71401 42.5176 in (null):K-9999 (33) and CD(317) at 55.6839 -11.2867 43.119 in (null):E-9999 (43) other bump:3.07826 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and CB(315) at 56.7325 -11.917 40.9032 in (null):E-9999 (43) other bump:2.52479 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and CA(314) at 55.464 -11.48 40.149 in (null):E-9999 (43) other bump:3.04201 Ang CG(237) at 52.9554 -10.1184 41.201 in (null):K-9999 (33) and CA(314) at 55.464 -11.48 40.149 in (null):E-9999 (43) other bump:1.6848 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and CA(314) at 55.464 -11.48 40.149 in (null):E-9999 (43) other bump:2.54819 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and CA(314) at 55.464 -11.48 40.149 in (null):E-9999 (43) other bump:2.11832 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and N(313) at 54.536 -12.59 40.021 in (null):E-9999 (43) other bump:3.1622 Ang CG(237) at 52.9554 -10.1184 41.201 in (null):K-9999 (33) and N(313) at 54.536 -12.59 40.021 in (null):E-9999 (43) other bump:1.81051 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and N(313) at 54.536 -12.59 40.021 in (null):E-9999 (43) other bump:2.19603 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and N(313) at 54.536 -12.59 40.021 in (null):E-9999 (43) other bump:1.73466 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and C(312) at 53.327 -12.347 39.518 in (null):A-9999 (42) other bump:2.81732 Ang CG(237) at 52.9554 -10.1184 41.201 in (null):K-9999 (33) and C(312) at 53.327 -12.347 39.518 in (null):A-9999 (42) other bump:1.71526 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and C(312) at 53.327 -12.347 39.518 in (null):A-9999 (42) other bump:1.29973 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and C(312) at 53.327 -12.347 39.518 in (null):A-9999 (42) other bump:1.76906 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and O(311) at 52.978 -11.225 39.169 in (null):A-9999 (42) other bump:2.31393 Ang CG(237) at 52.9554 -10.1184 41.201 in (null):K-9999 (33) and O(311) at 52.978 -11.225 39.169 in (null):A-9999 (42) other bump:1.48022 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and O(311) at 52.978 -11.225 39.169 in (null):A-9999 (42) other bump:0.34016 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and O(311) at 52.978 -11.225 39.169 in (null):A-9999 (42) other bump:2.7277 Ang NZ(240) at 54.1449 -11.935 38.0448 in (null):K-9999 (33) and CA(309) at 52.4 -13.521 39.416 in (null):A-9999 (42) other bump:3.11646 Ang CD(238) at 53.8803 -10.9262 40.3037 in (null):K-9999 (33) and CA(309) at 52.4 -13.521 39.416 in (null):A-9999 (42) other bump:2.52752 Ang CE(239) at 53.2351 -11.1813 38.9506 in (null):K-9999 (33) and CA(309) at 52.4 -13.521 39.416 in (null):A-9999 (42) neighbor-bump: 3.07431 Ang C(263) at 53.095 -11.681 48.676 in (null):E-9999 (35) and CG1(267) at 50.8698 -12.6971 46.8139 in (null):I-9999 (36) neighbor-bump: 2.0115 Ang O(253) at 51.904 -8.609 47.779 in (null):Y-9999 (34) and CB(257) at 51.6815 -9.69842 49.4552 in (null):E-9999 (35) neighbor-bump: 2.49581 Ang C(254) at 53.127 -8.587 47.751 in (null):Y-9999 (34) and CB(257) at 51.6815 -9.69842 49.4552 in (null):E-9999 (35) other bump:2.08909 Ang O(217) at 47.11 -4.268 42.001 in (null):G-9999 (30) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) other bump:2.44937 Ang C(218) at 47.177 -3.316 41.185 in (null):G-9999 (30) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) neighbor-bump: 2.53071 Ang N(219) at 47.969 -3.29 40.11 in (null):N-9999 (31) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) neighbor-bump: 2.22635 Ang CA(220) at 48.824 -4.429 39.805 in (null):N-9999 (31) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) neighbor-bump: 2.37181 Ang O(225) at 50.92 -3.662 40.578 in (null):N-9999 (31) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) neighbor-bump: 1.56746 Ang C(226) at 50.046 -4.505 40.688 in (null):N-9999 (31) and CD(231) at 49.1915 -4.44542 42.0007 in (null):P-9999 (32) neighbor-bump: 2.42463 Ang O(225) at 50.92 -3.662 40.578 in (null):N-9999 (31) and CG(230) at 50.116 -3.6352 42.8653 in (null):P-9999 (32) neighbor-bump: 2.34563 Ang C(226) at 50.046 -4.505 40.688 in (null):N-9999 (31) and CG(230) at 50.116 -3.6352 42.8653 in (null):P-9999 (32) other bump:2.84979 Ang CA(199) at 48.028 -0.756 36.083 in (null):H-9999 (28) and ND2(223) at 47.767 -3.50995 36.7678 in (null):N-9999 (31) other bump:2.80034 Ang C(197) at 46.516 0.474 34.673 in (null):S-9999 (27) and CD(212) at 46.388 1.36329 37.3253 in (null):P-9999 (29) neighbor-bump: 2.50441 Ang N(198) at 47.655 0.447 35.369 in (null):H-9999 (28) and CD(212) at 46.388 1.36329 37.3253 in (null):P-9999 (29) other bump:2.25004 Ang CE(55) at 51.8216 -2.67512 31.9774 in (null):K-9999 (7) and CE1(204) at 49.955 -3.544 32.885 in (null):H-9999 (28) other bump:2.28829 Ang CE(55) at 51.8216 -2.67512 31.9774 in (null):K-9999 (7) and ND1(203) at 50.397 -2.648 33.768 in (null):H-9999 (28) other bump:3.4922 Ang NZ(56) at 51.7272 -3.18407 30.5839 in (null):K-9999 (7) and ND1(203) at 50.397 -2.648 33.768 in (null):H-9999 (28) other bump:1.95752 Ang CG2(180) at 46.0124 3.79732 30.1569 in (null):I-9999 (25) and OG(195) at 45.4938 2.75309 31.7293 in (null):S-9999 (27) other bump:2.79639 Ang CB(44) at 51.386 3.4 36.173 in (null):D-9999 (6) and CG2(188) at 49.2423 5.18328 36.3829 in (null):I-9999 (26) other bump:3.01365 Ang CD2(170) at 51.2039 8.21284 32.3729 in (null):H-9999 (24) and CG1(187) at 49.6756 6.92919 34.631 in (null):I-9999 (26) other bump:3.1241 Ang NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) and CG1(187) at 49.6756 6.92919 34.631 in (null):I-9999 (26) other bump:2.84588 Ang CB(4) at 45.8543 6.32707 25.352 in (null):V-9999 (1) and CD1(181) at 45.8191 6.18712 28.1943 in (null):I-9999 (25) other bump:1.45112 Ang CG1(5) at 46.1612 5.95061 26.804 in (null):V-9999 (1) and CD1(181) at 45.8191 6.18712 28.1943 in (null):I-9999 (25) other bump:1.7265 Ang CG1(5) at 46.1612 5.95061 26.804 in (null):V-9999 (1) and CG1(179) at 46.8002 5.03421 28.1203 in (null):I-9999 (25) other bump:2.5035 Ang CB(34) at 52.0368 5.1723 31.1392 in (null):H-9999 (5) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:0.570299 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:1.55399 Ang CG(35) at 52.8058 6.40892 31.5062 in (null):H-9999 (5) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:2.76133 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:1.90282 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:2.17936 Ang CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) and NE2(173) at 52.0681 7.17781 32.6374 in (null):H-9999 (24) other bump:1.73799 Ang CB(34) at 52.0368 5.1723 31.1392 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:1.10958 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:3.00223 Ang CA(33) at 52.804 3.772 31.541 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:0.406136 Ang CG(35) at 52.8058 6.40892 31.5062 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:1.50813 Ang ND1(37) at 53.991 6.76497 30.8896 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:2.14869 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:1.99552 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:2.94287 Ang CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) and CE1(172) at 52.6165 6.76821 31.5102 in (null):H-9999 (24) other bump:2.41013 Ang CB(34) at 52.0368 5.1723 31.1392 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:1.97714 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:1.6121 Ang CG(35) at 52.8058 6.40892 31.5062 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:2.02697 Ang ND1(37) at 53.991 6.76497 30.8896 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:2.52004 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:2.49385 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and ND1(171) at 52.1376 7.50111 30.5266 in (null):H-9999 (24) other bump:1.61816 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and CD2(170) at 51.2039 8.21284 32.3729 in (null):H-9999 (24) other bump:2.56347 Ang CG(35) at 52.8058 6.40892 31.5062 in (null):H-9999 (5) and CD2(170) at 51.2039 8.21284 32.3729 in (null):H-9999 (24) other bump:2.41273 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CD2(170) at 51.2039 8.21284 32.3729 in (null):H-9999 (24) other bump:2.60416 Ang CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) and CD2(170) at 51.2039 8.21284 32.3729 in (null):H-9999 (24) other bump:2.21219 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and CG(169) at 51.2447 8.41998 31.0371 in (null):H-9999 (24) other bump:2.58869 Ang CG(35) at 52.8058 6.40892 31.5062 in (null):H-9999 (5) and CG(169) at 51.2447 8.41998 31.0371 in (null):H-9999 (24) other bump:2.73406 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CG(169) at 51.2447 8.41998 31.0371 in (null):H-9999 (24) other bump:2.98211 Ang CG2(6) at 44.7412 7.42403 25.3174 in (null):V-9999 (1) and CG1(162) at 45.7586 9.49112 27.2108 in (null):V-9999 (23) other bump:2.29615 Ang CE2(16) at 52.2779 8.36286 22.7073 in (null):F-9999 (2) and OD1(156) at 51.7163 10.3472 21.6977 in (null):N-9999 (22) other bump:2.76127 Ang CG2(124) at 54.1168 10.0678 25.0415 in (null):T-9999 (17) and ND2(155) at 53.4833 11.3364 22.6721 in (null):N-9999 (22) other bump:2.49462 Ang CE2(16) at 52.2779 8.36286 22.7073 in (null):F-9999 (2) and CG(154) at 52.2469 10.8572 22.6885 in (null):N-9999 (22) other bump:3.10743 Ang CG2(124) at 54.1168 10.0678 25.0415 in (null):T-9999 (17) and CG(154) at 52.2469 10.8572 22.6885 in (null):N-9999 (22) other bump:3.0224 Ang CE2(16) at 52.2779 8.36286 22.7073 in (null):F-9999 (2) and CB(153) at 51.4966 10.9836 23.9942 in (null):N-9999 (22) other bump:1.91945 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) other bump:2.6319 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) other bump:1.41512 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CE(105) at 53.3874 8.49749 33.7632 in (null):M-9999 (14) other bump:3.02198 Ang CD2(36) at 52.5755 7.35776 32.4493 in (null):H-9999 (5) and SD(104) at 55.0556 7.93246 34.0777 in (null):M-9999 (14) other bump:2.70569 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and SD(104) at 55.0556 7.93246 34.0777 in (null):M-9999 (14) other bump:2.24325 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and SD(104) at 55.0556 7.93246 34.0777 in (null):M-9999 (14) other bump:1.72226 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and CG(103) at 55.8158 8.15722 32.459 in (null):M-9999 (14) other bump:2.20299 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CG(103) at 55.8158 8.15722 32.459 in (null):M-9999 (14) other bump:2.2476 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and CB(102) at 55.7708 9.61386 31.9906 in (null):M-9999 (14) other bump:2.5777 Ang NE2(39) at 53.6162 8.25569 32.3878 in (null):H-9999 (5) and CB(102) at 55.7708 9.61386 31.9906 in (null):M-9999 (14) other bump:2.89786 Ang CE1(38) at 54.4563 7.87588 31.4398 in (null):H-9999 (5) and CA(101) at 56.451 9.837 30.683 in (null):M-9999 (14) other bump:2.63418 Ang CB(27) at 50.3482 -0.654383 31.1499 in (null):P-9999 (4) and CE(55) at 51.8216 -2.67512 31.9774 in (null):K-9999 (7) neighbor-bump: 2.46083 Ang CB(22) at 48.571 1.12607 27.3124 in (null):A-9999 (3) and CD(29) at 50.1257 0.171974 28.9642 in (null):P-9999 (4) neighbor-bump: 2.13912 Ang O(23) at 51.552 1.646 28.357 in (null):A-9999 (3) and CD(29) at 50.1257 0.171974 28.9642 in (null):P-9999 (4) neighbor-bump: 1.62942 Ang C(24) at 50.398 1.768 28.781 in (null):A-9999 (3) and CD(29) at 50.1257 0.171974 28.9642 in (null):P-9999 (4) self-bump: 2.22075 Ang CA(26) at 50.716 0.715 31.035 in (null):P-9999 (4) and CD(29) at 50.1257 0.171974 28.9642 in (null):P-9999 (4) T0147_twice 410 :SRKGSEDNCREVAAAVRDAGG 1i0dA 272 :LGIRSWQTRALLIKALIDQGY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 2.49001 Ang O(6) at 52.964 -5.738 39.114 in (null):S-9999 (1) and CG(11) at 54.6941 -4.39011 37.935 in (null):R-9999 (2) neighbor-bump: 2.01906 Ang O(6) at 52.964 -5.738 39.114 in (null):S-9999 (1) and CB(10) at 54.8125 -4.95676 39.3365 in (null):R-9999 (2) neighbor-bump: 2.54333 Ang C(7) at 53.27 -6.914 38.828 in (null):S-9999 (1) and CB(10) at 54.8125 -4.95676 39.3365 in (null):R-9999 (2) T0147_twice 431 :WVALGSD 1i0dA 295 :QILVSND Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 10 total=704 Number of alignments=61 # 1i60A read from T0147_twice.t2k-2track-undertaker.a2m # found chain 1i60A in template set T0147_twice 18 :STLSDYIAQAKQKGIKLFAI 1i60A 14 :SNLKLDLELCEKHGYDYIEI Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.58444 Ang CB(73) at 9.674 32.528 36.2 in (null):A-9999 (10) and CZ(140) at 8.10807 32.4694 36.4342 in (null):F-9999 (18) other bump:3.05182 Ang CA(72) at 11.047 33.185 36.029 in (null):A-9999 (10) and CZ(140) at 8.10807 32.4694 36.4342 in (null):F-9999 (18) other bump:2.64388 Ang CB(73) at 9.674 32.528 36.2 in (null):A-9999 (10) and CE2(139) at 7.17032 33.2794 35.8036 in (null):F-9999 (18) other bump:2.46193 Ang CB(73) at 9.674 32.528 36.2 in (null):A-9999 (10) and CE1(138) at 7.73826 31.316 37.1192 in (null):F-9999 (18) other bump:2.49068 Ang CG2(111) at 7.88913 31.2266 32.5936 in (null):I-9999 (15) and O(130) at 5.627 30.489 33.33 in (null):L-9999 (17) other bump:2.48971 Ang CB(73) at 9.674 32.528 36.2 in (null):A-9999 (10) and CD1(112) at 10.2145 30.7257 34.5696 in (null):I-9999 (15) other bump:2.97845 Ang CA(72) at 11.047 33.185 36.029 in (null):A-9999 (10) and CD1(112) at 10.2145 30.7257 34.5696 in (null):I-9999 (15) other bump:2.8409 Ang CB(4) at 11.331 28.946 45.301 in (null):S-9999 (1) and CZ(45) at 9.84538 27.5116 43.3501 in (null):Y-9999 (6) other bump:3.18503 Ang C(7) at 9.807 29.267 47.269 in (null):S-9999 (1) and CE1(43) at 9.68272 28.6427 44.1482 in (null):Y-9999 (6) other bump:2.23517 Ang OG(5) at 11.094 30.254 44.787 in (null):S-9999 (1) and CE1(43) at 9.68272 28.6427 44.1482 in (null):Y-9999 (6) other bump:3.10967 Ang CA(3) at 11.228 28.934 46.831 in (null):S-9999 (1) and CE1(43) at 9.68272 28.6427 44.1482 in (null):Y-9999 (6) other bump:2.03414 Ang CB(4) at 11.331 28.946 45.301 in (null):S-9999 (1) and CE1(43) at 9.68272 28.6427 44.1482 in (null):Y-9999 (6) other bump:2.55661 Ang O(13) at 8.216 31.8 44.893 in (null):T-9999 (2) and CD1(41) at 9.18583 29.8402 43.5683 in (null):Y-9999 (6) other bump:2.30166 Ang OG(5) at 11.094 30.254 44.787 in (null):S-9999 (1) and CD1(41) at 9.18583 29.8402 43.5683 in (null):Y-9999 (6) other bump:2.89893 Ang CB(4) at 11.331 28.946 45.301 in (null):S-9999 (1) and CD1(41) at 9.18583 29.8402 43.5683 in (null):Y-9999 (6) T0147_twice 41 :GPDMEDAPHHW 1i60A 34 :RTMDKLPEYLK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.60782 Ang O(44) at -1.231 32.914 48.209 in (null):D-9999 (6) and CD2(72) at -2.60076 34.8498 47.124 in (null):H-9999 (10) self-bump: 1.33915 Ang N(6) at -2.457 26.437 44.086 in (null):P-9999 (2) and CD(10) at -2.68841 26.0856 42.8146 in (null):P-9999 (2) neighbor-bump: 2.43561 Ang CA(3) at -0.272 26.302 43.03 in (null):G-9999 (1) and CD(10) at -2.68841 26.0856 42.8146 in (null):P-9999 (2) neighbor-bump: 2.07648 Ang C(5) at -1.236 26.961 44.013 in (null):G-9999 (1) and CD(10) at -2.68841 26.0856 42.8146 in (null):P-9999 (2) self-bump: 2.20096 Ang N(6) at -2.457 26.437 44.086 in (null):P-9999 (2) and CG(9) at -4.10065 26.5977 42.6311 in (null):P-9999 (2) T0147_twice 80 :DGEIDCSGKMFDSLDLIIAGFHEPVFAPHDK 1i60A 45 :DHSLDDLAEYFQTHHIKPLALNALVFFNNRD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.5853 Ang CG(234) at -20.7444 12.0073 50.3866 in (null):K-9999 (31) and N(240) at -21.835 13.173 48.353 in (null):G-9999 (32) neighbor-bump: 2.59448 Ang N(201) at -11.758 15.527 41.837 in (null):A-9999 (27) and CD(210) at -12.5071 13.7412 40.1105 in (null):P-9999 (28) self-bump: 2.06134 Ang N(176) at -7.629 21.238 40.966 in (null):P-9999 (24) and C(182) at -8.633 19.71 41.918 in (null):P-9999 (24) self-bump: 1.37379 Ang CA(177) at -8.89 21.205 41.674 in (null):P-9999 (24) and CB(178) at -9.92506 21.6551 40.8909 in (null):P-9999 (24) other bump:2.89018 Ang CE1(78) at 1.974 36.211 36.861 in (null):F-9999 (11) and CD1(134) at 0.649043 33.7463 37.584 in (null):I-9999 (18) other bump:2.87015 Ang CE2(79) at -0.051 36.472 38.148 in (null):F-9999 (11) and CD1(134) at 0.649043 33.7463 37.584 in (null):I-9999 (18) other bump:2.07816 Ang CZ(80) at 1.112 35.754 37.855 in (null):F-9999 (11) and CD1(134) at 0.649043 33.7463 37.584 in (null):I-9999 (18) other bump:2.46814 Ang CE2(79) at -0.051 36.472 38.148 in (null):F-9999 (11) and CG1(132) at -0.614344 34.3959 36.9379 in (null):I-9999 (18) other bump:2.38026 Ang CZ(80) at 1.112 35.754 37.855 in (null):F-9999 (11) and CG1(132) at -0.614344 34.3959 36.9379 in (null):I-9999 (18) T0147_twice 111 :ATNTQAMIATIASGNVHIISHPGNPK 1i60A 83 :ITEFKGMMETCKTLGVKYVVAVPLVT Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.97199 Ang CG(165) at -11.0618 9.54617 44.2604 in (null):N-9999 (24) and CE(182) at -11.6758 9.12525 47.1376 in (null):K-9999 (26) other bump:2.26849 Ang OD1(167) at -10.7754 10.1286 45.3132 in (null):N-9999 (24) and CE(182) at -11.6758 9.12525 47.1376 in (null):K-9999 (26) other bump:2.77417 Ang CG(165) at -11.0618 9.54617 44.2604 in (null):N-9999 (24) and CG(180) at -10.567 7.31518 45.8332 in (null):K-9999 (26) other bump:2.03502 Ang ND2(166) at -11.3753 8.25844 44.2214 in (null):N-9999 (24) and CG(180) at -10.567 7.31518 45.8332 in (null):K-9999 (26) other bump:2.54803 Ang CD1(76) at -9.83367 29.5987 37.004 in (null):I-9999 (11) and CG2(131) at -9.01367 27.219 36.6079 in (null):I-9999 (19) other bump:2.53379 Ang CG2(75) at -9.41635 32.2504 35.3526 in (null):I-9999 (11) and O(107) at -7.778 32.282 33.42 in (null):V-9999 (16) T0147_twice 137 :YEIDVKAVAE 1i60A 110 :QKIVKEEIKK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.7634 Ang CD2(7) at -14.5667 2.47419 45.2584 in (null):Y-9999 (1) and CG1(26) at -14.525 3.32 42.628 in (null):I-9999 (3) other bump:2.88679 Ang CE2(9) at -15.7669 1.91749 44.8244 in (null):Y-9999 (1) and CG1(26) at -14.525 3.32 42.628 in (null):I-9999 (3) neighbor-bump: 2.8859 Ang CE2(9) at -15.7669 1.91749 44.8244 in (null):Y-9999 (1) and O(21) at -14.466 -0.19 43.343 in (null):E-9999 (2) T0147_twice 168 :GSEDNCREVAAAVRDAGGWVALGSDSHTAFTMGEFEECLKILDAV 1i60A 120 :SSVDVLTELSDIAEPYGVKIALEFVGHPQCTVNTFEQAYEIVNTV Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.41799 Ang OE2(18) at -19.8553 13.1354 28.1341 in (null):E-9999 (3) and C(323) at -18.175 13.668 26.479 in (null):A-9999 (44) other bump:2.10623 Ang OE2(18) at -19.8553 13.1354 28.1341 in (null):E-9999 (3) and O(322) at -19.357 13.955 26.259 in (null):A-9999 (44) other bump:3.14676 Ang CD(16) at -19.5798 12.4386 29.1415 in (null):E-9999 (3) and CB(321) at -17.757 11.217 26.886 in (null):A-9999 (44) other bump:2.78518 Ang OE1(17) at -19.4905 11.1959 29.0658 in (null):E-9999 (3) and CB(321) at -17.757 11.217 26.886 in (null):A-9999 (44) other bump:2.55861 Ang SD(226) at -9.92638 9.97451 32.7985 in (null):M-9999 (32) and CD1(300) at -12.475 9.858 32.605 in (null):I-9999 (41) other bump:1.48392 Ang CE(227) at -11.4511 9.58523 33.6439 in (null):M-9999 (32) and CD1(300) at -12.475 9.858 32.605 in (null):I-9999 (41) other bump:3.07083 Ang CG(225) at -8.74682 8.86514 33.5707 in (null):M-9999 (32) and SG(275) at -6.60805 10.371 31.9619 in (null):C-9999 (38) other bump:3.44504 Ang SD(226) at -9.92638 9.97451 32.7985 in (null):M-9999 (32) and SG(275) at -6.60805 10.371 31.9619 in (null):C-9999 (38) other bump:2.23862 Ang CB(164) at -4.8692 11.0801 33.1805 in (null):S-9999 (24) and SG(275) at -6.60805 10.371 31.9619 in (null):C-9999 (38) other bump:2.7602 Ang OG(165) at -4.02131 11.3276 32.0731 in (null):S-9999 (24) and SG(275) at -6.60805 10.371 31.9619 in (null):C-9999 (38) other bump:2.92019 Ang SD(226) at -9.92638 9.97451 32.7985 in (null):M-9999 (32) and CA(273) at -8.773 10.383 30.147 in (null):C-9999 (38) other bump:3.11395 Ang CB(184) at -0.652 7.253 40.628 in (null):H-9999 (27) and CE2(211) at -1.89606 9.80137 41.9144 in (null):F-9999 (30) other bump:2.93179 Ang CG(171) at -1.27226 10.9742 39.3008 in (null):D-9999 (25) and CE2(211) at -1.89606 9.80137 41.9144 in (null):F-9999 (30) other bump:2.69167 Ang OD2(173) at -1.17776 11.7875 40.2458 in (null):D-9999 (25) and CE2(211) at -1.89606 9.80137 41.9144 in (null):F-9999 (30) other bump:2.70775 Ang CB(184) at -0.652 7.253 40.628 in (null):H-9999 (27) and CD2(209) at -2.61685 9.07948 40.9957 in (null):F-9999 (30) other bump:2.87588 Ang CG(171) at -1.27226 10.9742 39.3008 in (null):D-9999 (25) and CD2(209) at -2.61685 9.07948 40.9957 in (null):F-9999 (30) other bump:2.8292 Ang CG1(88) at -14.581 27.531 32.4573 in (null):V-9999 (13) and C(123) at -12.098 28.271 31.321 in (null):G-9999 (18) other bump:1.86988 Ang CG1(88) at -14.581 27.531 32.4573 in (null):V-9999 (13) and O(122) at -13.208 27.738 31.205 in (null):G-9999 (18) T0147_twice 245 :LMYPVDLHMHTVASTHAYSTLSDYIAQAKQKG 1i60A 165 :NRDNVGLVLDSFHFHAMGSNIESLKQADGKKI Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:3.1306 Ang CG(47) at -7.71721 20.272 25.7969 in (null):D-9999 (6) and N(252) at -4.66 20.846 26.15 in (null):G-9999 (33) other bump:1.55834 Ang OD1(48) at -7.59848 19.0686 25.4293 in (null):D-9999 (6) and C(247) at -6.875 18.735 24.09 in (null):K-9999 (31) other bump:2.72217 Ang OD2(49) at -7.27293 21.2234 25.1194 in (null):D-9999 (6) and C(247) at -6.875 18.735 24.09 in (null):K-9999 (31) other bump:2.44647 Ang CG(47) at -7.71721 20.272 25.7969 in (null):D-9999 (6) and C(247) at -6.875 18.735 24.09 in (null):K-9999 (31) other bump:0.818659 Ang OD1(48) at -7.59848 19.0686 25.4293 in (null):D-9999 (6) and O(246) at -7.126 18.424 25.252 in (null):K-9999 (31) other bump:2.01534 Ang CG(47) at -7.71721 20.272 25.7969 in (null):D-9999 (6) and O(246) at -7.126 18.424 25.252 in (null):K-9999 (31) other bump:2.42416 Ang OD1(48) at -7.59848 19.0686 25.4293 in (null):D-9999 (6) and CA(240) at -7.988 18.816 23.05 in (null):K-9999 (31) other bump:3.1207 Ang CG(47) at -7.71721 20.272 25.7969 in (null):D-9999 (6) and CA(240) at -7.988 18.816 23.05 in (null):K-9999 (31) other bump:2.54389 Ang O(180) at -4.154 8.861 20.811 in (null):D-9999 (23) and CG(210) at -4.88199 11.2077 21.4702 in (null):Q-9999 (27) other bump:3.3294 Ang SD(74) at 0.480393 13.8043 25.3961 in (null):M-9999 (9) and OH(191) at 1.29026 15.7166 22.7938 in (null):Y-9999 (24) other bump:2.4142 Ang CE(75) at 1.92983 14.7719 24.9214 in (null):M-9999 (9) and OH(191) at 1.29026 15.7166 22.7938 in (null):Y-9999 (24) other bump:2.92325 Ang SD(74) at 0.480393 13.8043 25.3961 in (null):M-9999 (9) and CZ(190) at 0.924689 14.4024 22.5694 in (null):Y-9999 (24) other bump:2.58435 Ang CE(75) at 1.92983 14.7719 24.9214 in (null):M-9999 (9) and CZ(190) at 0.924689 14.4024 22.5694 in (null):Y-9999 (24) other bump:2.38496 Ang SD(74) at 0.480393 13.8043 25.3961 in (null):M-9999 (9) and CE1(188) at -0.254146 13.9422 23.1313 in (null):Y-9999 (24) other bump:2.94324 Ang CE(75) at 1.92983 14.7719 24.9214 in (null):M-9999 (9) and CE1(188) at -0.254146 13.9422 23.1313 in (null):Y-9999 (24) other bump:2.93979 Ang SD(74) at 0.480393 13.8043 25.3961 in (null):M-9999 (9) and CD1(186) at -0.662416 12.643 22.9491 in (null):Y-9999 (24) other bump:2.78689 Ang CB(97) at 6.2225 11.997 34.6042 in (null):V-9999 (12) and NE2(127) at 6.52671 9.62473 36.0347 in (null):H-9999 (16) other bump:1.41674 Ang CG1(98) at 6.25165 10.981 35.7312 in (null):V-9999 (12) and NE2(127) at 6.52671 9.62473 36.0347 in (null):H-9999 (16) other bump:2.45657 Ang CG1(98) at 6.25165 10.981 35.7312 in (null):V-9999 (12) and CE1(126) at 6.3938 9.01083 37.1917 in (null):H-9999 (16) other bump:3.28567 Ang CG1(98) at 6.25165 10.981 35.7312 in (null):V-9999 (12) and ND1(125) at 5.3986 8.11449 37.0918 in (null):H-9999 (16) other bump:2.90376 Ang CA(96) at 5.809 11.34 33.3 in (null):V-9999 (12) and CD2(124) at 5.60231 9.10399 35.141 in (null):H-9999 (16) other bump:3.00706 Ang CB(97) at 6.2225 11.997 34.6042 in (null):V-9999 (12) and CD2(124) at 5.60231 9.10399 35.141 in (null):H-9999 (16) other bump:2.07197 Ang CG1(98) at 6.25165 10.981 35.7312 in (null):V-9999 (12) and CD2(124) at 5.60231 9.10399 35.141 in (null):H-9999 (16) other bump:1.84701 Ang O(100) at 4.611 9.284 33.593 in (null):V-9999 (12) and CD2(124) at 5.60231 9.10399 35.141 in (null):H-9999 (16) other bump:2.38807 Ang C(101) at 4.547 10.508 33.523 in (null):V-9999 (12) and CD2(124) at 5.60231 9.10399 35.141 in (null):H-9999 (16) other bump:3.11957 Ang CG1(98) at 6.25165 10.981 35.7312 in (null):V-9999 (12) and CG(123) at 4.89169 8.175 35.8246 in (null):H-9999 (16) other bump:2.50774 Ang O(100) at 4.611 9.284 33.593 in (null):V-9999 (12) and CG(123) at 4.89169 8.175 35.8246 in (null):H-9999 (16) neighbor-bump: 2.30172 Ang N(18) at -15.79 22.693 24.398 in (null):Y-9999 (3) and CD(34) at -15.3773 24.5051 25.7559 in (null):P-9999 (4) neighbor-bump: 2.24205 Ang CA(19) at -14.581 23.392 23.98 in (null):Y-9999 (3) and CD(34) at -15.3773 24.5051 25.7559 in (null):P-9999 (4) neighbor-bump: 2.61799 Ang CB(20) at -14.9851 24.6533 23.1717 in (null):Y-9999 (3) and CD(34) at -15.3773 24.5051 25.7559 in (null):P-9999 (4) neighbor-bump: 1.86388 Ang C(29) at -13.735 23.851 25.165 in (null):Y-9999 (3) and CD(34) at -15.3773 24.5051 25.7559 in (null):P-9999 (4) self-bump: 1.27285 Ang N(30) at -14.355 24.012 26.332 in (null):P-9999 (4) and CD(34) at -15.3773 24.5051 25.7559 in (null):P-9999 (4) self-bump: 2.13012 Ang N(30) at -14.355 24.012 26.332 in (null):P-9999 (4) and CG(33) at -15.609 25.7027 26.6583 in (null):P-9999 (4) T0147_twice 298 :FIN 1i60A 197 :FIY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 325 :DG 1i60A 200 :HI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0147_twice 333 :KMFDSLDLIIAGFHEPVFAPHDKATNTQAMIATIASGNVHIIS 1i60A 202 :DDTEDFPIGFLTDEDRVWPGQGAIDLDAHLSALKEIGFSDVVS Fragment has 84 clashes (null) has 84 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues self-bump: 1.38694 Ang CA(295) at 1.015 26.278 22.344 in (null):H-9999 (40) and CB(296) at -0.161628 26.9274 22.6866 in (null):H-9999 (40) neighbor-bump: 2.64491 Ang C(286) at 1.005 21.627 19.397 in (null):N-9999 (38) and CG2(291) at 2.44196 22.6482 17.4252 in (null):V-9999 (39) neighbor-bump: 2.18588 Ang O(285) at 2.014 21.105 18.913 in (null):N-9999 (38) and CG2(291) at 2.44196 22.6482 17.4252 in (null):V-9999 (39) other bump:2.43642 Ang CG2(252) at 2.38956 18.3365 21.208 in (null):T-9999 (33) and ND2(283) at 0.906577 19.4038 22.8198 in (null):N-9999 (38) other bump:2.79222 Ang CG2(252) at 2.38956 18.3365 21.208 in (null):T-9999 (33) and CG(282) at 0.501483 20.2756 21.8949 in (null):N-9999 (38) other bump:2.76151 Ang CG2(252) at 2.38956 18.3365 21.208 in (null):T-9999 (33) and CB(281) at 0.0753417 19.6839 20.5335 in (null):N-9999 (38) other bump:2.75834 Ang CG2(195) at 11.0404 7.42935 22.8377 in (null):T-9999 (25) and NE2(220) at 9.09497 5.62898 22.0744 in (null):Q-9999 (28) other bump:2.576 Ang CB(40) at 14.0264 3.53264 33.4622 in (null):S-9999 (5) and CE(183) at 16.5723 3.42474 33.0847 in (null):K-9999 (23) other bump:2.46062 Ang OG(41) at 13.0231 2.90681 32.6536 in (null):S-9999 (5) and CD(182) at 15.2898 3.82151 32.3705 in (null):K-9999 (23) other bump:1.69456 Ang CB(40) at 14.0264 3.53264 33.4622 in (null):S-9999 (5) and CD(182) at 15.2898 3.82151 32.3705 in (null):K-9999 (23) other bump:3.00949 Ang CA(39) at 13.64 3.773 34.887 in (null):S-9999 (5) and CD(182) at 15.2898 3.82151 32.3705 in (null):K-9999 (23) other bump:2.78684 Ang CB(40) at 14.0264 3.53264 33.4622 in (null):S-9999 (5) and CG(181) at 15.4344 5.18718 31.7168 in (null):K-9999 (23) other bump:3.15776 Ang CB(40) at 14.0264 3.53264 33.4622 in (null):S-9999 (5) and CB(180) at 14.0725 5.66511 31.1337 in (null):K-9999 (23) other bump:1.89702 Ang C(18) at 11.552 11.787 33.995 in (null):M-9999 (2) and OD2(175) at 13.2158 12.4884 33.4133 in (null):D-9999 (22) other bump:2.26942 Ang N(19) at 12.103 10.579 33.929 in (null):F-9999 (3) and OD2(175) at 13.2158 12.4884 33.4133 in (null):D-9999 (22) other bump:1.77857 Ang CA(12) at 11.576 12.651 32.744 in (null):M-9999 (2) and OD2(175) at 13.2158 12.4884 33.4133 in (null):D-9999 (22) other bump:2.61274 Ang CG2(134) at 15.153 12.105 35.124 in (null):V-9999 (17) and OD2(175) at 13.2158 12.4884 33.4133 in (null):D-9999 (22) other bump:0.641322 Ang CB(13) at 13.2157 13.0647 33.1319 in (null):M-9999 (2) and OD2(175) at 13.2158 12.4884 33.4133 in (null):D-9999 (22) other bump:2.02128 Ang CG(14) at 13.923 13.6883 31.9484 in (null):M-9999 (2) and OD2(175) at 13.2158 12.4884 33.4133 in (null):D-9999 (22) other bump:3.02971 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and OD2(175) at 13.2158 12.4884 33.4133 in (null):D-9999 (22) other bump:1.80406 Ang CE(16) at 15.9269 12.2059 33.0515 in (null):M-9999 (2) and OD1(174) at 14.9421 11.6176 34.4439 in (null):D-9999 (22) other bump:3.22556 Ang CG1(133) at 15.672 11.89 37.574 in (null):V-9999 (17) and OD1(174) at 14.9421 11.6176 34.4439 in (null):D-9999 (22) other bump:0.862839 Ang CG2(134) at 15.153 12.105 35.124 in (null):V-9999 (17) and OD1(174) at 14.9421 11.6176 34.4439 in (null):D-9999 (22) other bump:2.60695 Ang CB(13) at 13.2157 13.0647 33.1319 in (null):M-9999 (2) and OD1(174) at 14.9421 11.6176 34.4439 in (null):D-9999 (22) other bump:3.19628 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and OD1(174) at 14.9421 11.6176 34.4439 in (null):D-9999 (22) other bump:2.37715 Ang CB(132) at 15.478 12.856 36.401 in (null):V-9999 (17) and OD1(174) at 14.9421 11.6176 34.4439 in (null):D-9999 (22) other bump:2.59874 Ang C(18) at 11.552 11.787 33.995 in (null):M-9999 (2) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:2.287 Ang N(19) at 12.103 10.579 33.929 in (null):F-9999 (3) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:3.19553 Ang CA(20) at 12.082 9.727 35.123 in (null):F-9999 (3) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:2.83701 Ang CA(12) at 11.576 12.651 32.744 in (null):M-9999 (2) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:1.97565 Ang CE(16) at 15.9269 12.2059 33.0515 in (null):M-9999 (2) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:1.98213 Ang CG2(134) at 15.153 12.105 35.124 in (null):V-9999 (17) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:1.74287 Ang CB(13) at 13.2157 13.0647 33.1319 in (null):M-9999 (2) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:2.60735 Ang CG(14) at 13.923 13.6883 31.9484 in (null):M-9999 (2) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:2.98436 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and CG(173) at 14.1007 11.6137 33.5178 in (null):D-9999 (22) other bump:2.51159 Ang N(19) at 12.103 10.579 33.929 in (null):F-9999 (3) and CB(172) at 14.1511 10.5017 32.4773 in (null):D-9999 (22) other bump:2.52735 Ang CE(16) at 15.9269 12.2059 33.0515 in (null):M-9999 (2) and CB(172) at 14.1511 10.5017 32.4773 in (null):D-9999 (22) other bump:2.80584 Ang CB(13) at 13.2157 13.0647 33.1319 in (null):M-9999 (2) and CB(172) at 14.1511 10.5017 32.4773 in (null):D-9999 (22) other bump:2.41191 Ang CE(16) at 15.9269 12.2059 33.0515 in (null):M-9999 (2) and CA(171) at 15.727 9.954 32.211 in (null):D-9999 (22) other bump:1.66526 Ang CE(16) at 15.9269 12.2059 33.0515 in (null):M-9999 (2) and N(170) at 16.364 11.198 31.8 in (null):D-9999 (22) other bump:2.71111 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and N(170) at 16.364 11.198 31.8 in (null):D-9999 (22) other bump:1.87029 Ang CE(16) at 15.9269 12.2059 33.0515 in (null):M-9999 (2) and C(169) at 17.53 11.579 32.32 in (null):H-9999 (21) other bump:2.88504 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and C(169) at 17.53 11.579 32.32 in (null):H-9999 (21) other bump:2.64331 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and CB(162) at 18.1811 14.1442 32.9813 in (null):H-9999 (21) other bump:2.58382 Ang CE(16) at 15.9269 12.2059 33.0515 in (null):M-9999 (2) and CA(161) at 18.088 12.914 31.825 in (null):H-9999 (21) other bump:2.59418 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and CA(161) at 18.088 12.914 31.825 in (null):H-9999 (21) other bump:1.93425 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and N(160) at 17.156 13.654 30.976 in (null):H-9999 (21) other bump:3.00991 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and C(159) at 17.233 13.568 29.648 in (null):P-9999 (20) self-bump: 1.33715 Ang N(153) at 15.092 14.878 29.552 in (null):P-9999 (20) and CD(157) at 14.6815 16.1502 29.5213 in (null):P-9999 (20) neighbor-bump: 0.755461 Ang C(152) at 15.117 16.075 30.134 in (null):A-9999 (19) and CD(157) at 14.6815 16.1502 29.5213 in (null):P-9999 (20) neighbor-bump: 1.61234 Ang CA(149) at 13.833 16.511 30.844 in (null):A-9999 (19) and CD(157) at 14.6815 16.1502 29.5213 in (null):P-9999 (20) neighbor-bump: 2.26417 Ang CB(150) at 13.216 17.743 30.186 in (null):A-9999 (19) and CD(157) at 14.6815 16.1502 29.5213 in (null):P-9999 (20) neighbor-bump: 1.68904 Ang O(151) at 16.114 16.808 30.128 in (null):A-9999 (19) and CD(157) at 14.6815 16.1502 29.5213 in (null):P-9999 (20) self-bump: 2.19925 Ang N(153) at 15.092 14.878 29.552 in (null):P-9999 (20) and CG(156) at 15.53 16.6899 28.3851 in (null):P-9999 (20) neighbor-bump: 1.89934 Ang C(152) at 15.117 16.075 30.134 in (null):A-9999 (19) and CG(156) at 15.53 16.6899 28.3851 in (null):P-9999 (20) neighbor-bump: 2.99301 Ang CA(149) at 13.833 16.511 30.844 in (null):A-9999 (19) and CG(156) at 15.53 16.6899 28.3851 in (null):P-9999 (20) neighbor-bump: 3.11557 Ang CB(150) at 13.216 17.743 30.186 in (null):A-9999 (19) and CG(156) at 15.53 16.6899 28.3851 in (null):P-9999 (20) neighbor-bump: 1.84198 Ang O(151) at 16.114 16.808 30.128 in (null):A-9999 (19) and CG(156) at 15.53 16.6899 28.3851 in (null):P-9999 (20) neighbor-bump: 2.38095 Ang C(152) at 15.117 16.075 30.134 in (null):A-9999 (19) and CB(155) at 16.7859 15.8768 28.4475 in (null):P-9999 (20) neighbor-bump: 2.03536 Ang O(151) at 16.114 16.808 30.128 in (null):A-9999 (19) and CB(155) at 16.7859 15.8768 28.4475 in (null):P-9999 (20) other bump:2.9197 Ang CG(14) at 13.923 13.6883 31.9484 in (null):M-9999 (2) and N(153) at 15.092 14.878 29.552 in (null):P-9999 (20) other bump:2.93636 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and N(153) at 15.092 14.878 29.552 in (null):P-9999 (20) other bump:3.22707 Ang CG(14) at 13.923 13.6883 31.9484 in (null):M-9999 (2) and C(152) at 15.117 16.075 30.134 in (null):A-9999 (19) other bump:3.14263 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and C(152) at 15.117 16.075 30.134 in (null):A-9999 (19) other bump:3.03241 Ang CG(14) at 13.923 13.6883 31.9484 in (null):M-9999 (2) and CA(149) at 13.833 16.511 30.844 in (null):A-9999 (19) other bump:2.94083 Ang CG(14) at 13.923 13.6883 31.9484 in (null):M-9999 (2) and C(147) at 14.891 16.243 33.037 in (null):F-9999 (18) other bump:2.70602 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and C(147) at 14.891 16.243 33.037 in (null):F-9999 (18) other bump:2.20937 Ang CG(14) at 13.923 13.6883 31.9484 in (null):M-9999 (2) and O(146) at 15.384 15.167 32.697 in (null):F-9999 (18) other bump:1.49032 Ang SD(15) at 15.6766 13.7875 32.2149 in (null):M-9999 (2) and O(146) at 15.384 15.167 32.697 in (null):F-9999 (18) other bump:3.24202 Ang CB(13) at 13.2157 13.0647 33.1319 in (null):M-9999 (2) and C(136) at 14.207 14.897 35.616 in (null):V-9999 (17) other bump:2.54691 Ang CB(13) at 13.2157 13.0647 33.1319 in (null):M-9999 (2) and O(135) at 13.205 14.895 34.903 in (null):V-9999 (17) other bump:2.21458 Ang CE(16) at 15.9269 12.2059 33.0515 in (null):M-9999 (2) and CG2(134) at 15.153 12.105 35.124 in (null):V-9999 (17) other bump:2.78101 Ang CE2(26) at 7.79965 11.0726 36.3175 in (null):F-9999 (3) and CG(126) at 8.617 13.179 37.939 in (null):P-9999 (16) other bump:2.54402 Ang CA(85) at 6.821 5.071 39.751 in (null):A-9999 (11) and OE1(119) at 9.14152 6.11365 39.7595 in (null):E-9999 (15) other bump:3.18579 Ang CA(85) at 6.821 5.071 39.751 in (null):A-9999 (11) and CD(118) at 9.55956 6.18508 40.9378 in (null):E-9999 (15) other bump:2.34311 Ang CD2(65) at 5.55659 4.02441 36.8052 in (null):L-9999 (8) and CB(86) at 6.783 5.395 38.257 in (null):A-9999 (11) neighbor-bump: 2.9668 Ang C(67) at 4.545 0.446 36.973 in (null):L-9999 (8) and CG1(71) at 2.12442 -1.10865 37.6981 in (null):I-9999 (9) neighbor-bump: 2.21574 Ang O(66) at 4.65 -0.761 37.181 in (null):L-9999 (8) and CB(70) at 3.15686 -0.827767 38.8167 in (null):I-9999 (9) neighbor-bump: 2.63604 Ang C(67) at 4.545 0.446 36.973 in (null):L-9999 (8) and CB(70) at 3.15686 -0.827767 38.8167 in (null):I-9999 (9) neighbor-bump: 2.47437 Ang CB(62) at 4.52409 2.12087 35.5663 in (null):L-9999 (8) and N(68) at 3.909 1.265 37.805 in (null):I-9999 (9) self-bump: 2.18732 Ang CB(62) at 4.52409 2.12087 35.5663 in (null):L-9999 (8) and C(67) at 4.545 0.446 36.973 in (null):L-9999 (8) self-bump: 1.24579 Ang CA(61) at 5.187 1.081 35.743 in (null):L-9999 (8) and CB(62) at 4.52409 2.12087 35.5663 in (null):L-9999 (8) other bump:2.89393 Ang NZ(8) at 4.74835 12.9292 35.556 in (null):K-9999 (1) and CZ(27) at 7.23461 11.5136 35.1206 in (null):F-9999 (3) other bump:2.58063 Ang CE(7) at 5.54885 13.3143 34.362 in (null):K-9999 (1) and CZ(27) at 7.23461 11.5136 35.1206 in (null):F-9999 (3) T0147_twice 457 :VDFPPERILNVSPRRLLNFLESR 1i60A 245 :VELFRPEYYKLTAEEAIQTAKKT Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.23565 Ang CG(155) at 18.9129 21.9362 35.8501 in (null):F-9999 (19) and NH2(194) at 17.3023 20.4489 36.2885 in (null):R-9999 (23) other bump:0.985963 Ang CD2(157) at 18.1474 20.9387 36.4226 in (null):F-9999 (19) and NH2(194) at 17.3023 20.4489 36.2885 in (null):R-9999 (23) other bump:1.38008 Ang CE2(159) at 18.3984 19.6262 36.126 in (null):F-9999 (19) and NH2(194) at 17.3023 20.4489 36.2885 in (null):R-9999 (23) other bump:2.61096 Ang CZ(160) at 19.3999 19.3114 35.2286 in (null):F-9999 (19) and NH2(194) at 17.3023 20.4489 36.2885 in (null):R-9999 (23) other bump:2.05632 Ang CG(155) at 18.9129 21.9362 35.8501 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:1.86343 Ang CD2(157) at 18.1474 20.9387 36.4226 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:1.27107 Ang CE2(159) at 18.3984 19.6262 36.126 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:0.692615 Ang CZ(160) at 19.3999 19.3114 35.2286 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:1.76821 Ang CD1(156) at 19.9045 21.6102 34.9414 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:1.12978 Ang CE1(158) at 20.1659 20.2626 34.6363 in (null):F-9999 (19) and NH1(193) at 19.3671 19.9852 35.3855 in (null):R-9999 (23) other bump:2.22009 Ang CG(155) at 18.9129 21.9362 35.8501 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:1.49323 Ang CD2(157) at 18.1474 20.9387 36.4226 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:0.976297 Ang CE2(159) at 18.3984 19.6262 36.126 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:1.51499 Ang CZ(160) at 19.3999 19.3114 35.2286 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:2.50524 Ang CD1(156) at 19.9045 21.6102 34.9414 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:2.24311 Ang CE1(158) at 20.1659 20.2626 34.6363 in (null):F-9999 (19) and CZ(192) at 18.0389 19.9744 35.2877 in (null):R-9999 (23) other bump:2.74391 Ang CD2(157) at 18.1474 20.9387 36.4226 in (null):F-9999 (19) and NE(191) at 17.4335 19.4785 34.2119 in (null):R-9999 (23) other bump:2.14861 Ang CE2(159) at 18.3984 19.6262 36.126 in (null):F-9999 (19) and NE(191) at 17.4335 19.4785 34.2119 in (null):R-9999 (23) other bump:2.21996 Ang CZ(160) at 19.3999 19.3114 35.2286 in (null):F-9999 (19) and NE(191) at 17.4335 19.4785 34.2119 in (null):R-9999 (23) other bump:3.17215 Ang CE2(159) at 18.3984 19.6262 36.126 in (null):F-9999 (19) and CD(190) at 18.1083 18.9342 33.0439 in (null):R-9999 (23) other bump:2.56582 Ang CZ(160) at 19.3999 19.3114 35.2286 in (null):F-9999 (19) and CD(190) at 18.1083 18.9342 33.0439 in (null):R-9999 (23) other bump:2.503 Ang CD2(22) at 11.7706 19.7015 36.8387 in (null):F-9999 (3) and CD2(168) at 12.9793 21.8423 36.3687 in (null):L-9999 (20) other bump:2.51761 Ang CE2(24) at 12.4639 19.485 35.6505 in (null):F-9999 (3) and CD2(168) at 12.9793 21.8423 36.3687 in (null):L-9999 (20) other bump:2.31388 Ang CG2(66) at 15.1483 20.588 41.2628 in (null):I-9999 (8) and CD1(132) at 14.788 22.5547 40.0982 in (null):L-9999 (16) other bump:2.78161 Ang CG2(90) at 19.2626 24.4983 42.2525 in (null):V-9999 (11) and CB(119) at 20.552 26.4908 40.8017 in (null):R-9999 (15) other bump:2.01849 Ang O(68) at 16.398 21.685 43.922 in (null):I-9999 (8) and CG1(89) at 17.233 23.4219 43.3216 in (null):V-9999 (11) neighbor-bump: 1.89251 Ang CA(18) at 9.399 18.293 38.894 in (null):F-9999 (3) and CD(32) at 8.29657 17.1927 39.969 in (null):P-9999 (4) neighbor-bump: 1.27521 Ang C(27) at 8.972 18.2 40.363 in (null):F-9999 (3) and CD(32) at 8.29657 17.1927 39.969 in (null):P-9999 (4) self-bump: 1.32379 Ang N(28) at 9.159 17.024 40.959 in (null):P-9999 (4) and CD(32) at 8.29657 17.1927 39.969 in (null):P-9999 (4) neighbor-bump: 2.20018 Ang O(26) at 8.473 19.164 40.93 in (null):F-9999 (3) and CD(32) at 8.29657 17.1927 39.969 in (null):P-9999 (4) neighbor-bump: 2.41442 Ang C(27) at 8.972 18.2 40.363 in (null):F-9999 (3) and CG(31) at 7.01246 16.828 40.6903 in (null):P-9999 (4) self-bump: 2.17216 Ang N(28) at 9.159 17.024 40.959 in (null):P-9999 (4) and CG(31) at 7.01246 16.828 40.6903 in (null):P-9999 (4) Number of specific fragments= 11 total=715 Number of alignments=62 # 1korA read from T0147_twice.t2k-2track-undertaker.a2m # adding 1korA to template set 1korA:# found chain 1korA in template set T0147_twice 128 :IISHPGNPKYEIDVKAVAEA 1korA 4 :VLAYSGGLDTSIILKWLKET Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.97022 Ang CE1(30) at 7.48462 59.4502 77.4236 in (null):H-9999 (4) and CG2(110) at 10.4507 59.337 77.3151 in (null):V-9999 (14) other bump:2.77686 Ang O(22) at 7.593 60.954 71.322 in (null):S-9999 (3) and CE2(76) at 7.5258 58.4203 70.1876 in (null):Y-9999 (10) other bump:3.05886 Ang CD(38) at 5.04972 59.9869 72.4374 in (null):P-9999 (5) and CD1(73) at 5.61711 57.0749 71.6924 in (null):Y-9999 (10) other bump:2.89962 Ang CD(38) at 5.04972 59.9869 72.4374 in (null):P-9999 (5) and CG(72) at 6.72347 57.6214 72.3346 in (null):Y-9999 (10) self-bump: 1.33435 Ang N(34) at 4.216 60.422 73.384 in (null):P-9999 (5) and CD(38) at 5.04972 59.9869 72.4374 in (null):P-9999 (5) neighbor-bump: 2.05931 Ang C(33) at 4.765 61.591 73.697 in (null):H-9999 (4) and CD(38) at 5.04972 59.9869 72.4374 in (null):P-9999 (5) neighbor-bump: 2.42888 Ang CA(25) at 6.289 61.645 73.708 in (null):H-9999 (4) and CD(38) at 5.04972 59.9869 72.4374 in (null):P-9999 (5) self-bump: 2.19955 Ang N(34) at 4.216 60.422 73.384 in (null):P-9999 (5) and CG(37) at 4.06274 59.5203 71.3837 in (null):P-9999 (5) T0147_twice 150 :KHQVALEINNSS 1korA 24 :YRAEVIAFTADI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.33215 Ang OE2(56) at 5.49781 62.7182 77.7869 in (null):E-9999 (7) and ND2(71) at 4.3222 64.3612 76.6219 in (null):N-9999 (9) other bump:2.64086 Ang CD(54) at 6.35199 63.5685 78.1137 in (null):E-9999 (7) and ND2(71) at 4.3222 64.3612 76.6219 in (null):N-9999 (9) T0147_twice 168 :GSEDNCREVAAAVRDAGGWVALGSDS 1korA 36 :GQGEEVEEAREKALRTGASKAIALDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues T0147_twice 216 :PERI 1korA 62 :KEEF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 224 :PRRLLNFLESRGMAPIAEFADLMYPV 1korA 66 :VRDFVFPMMRAGAVYEGYYLLGTSIA Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.1472 Ang C(169) at -4.415 61.916 56.381 in (null):D-9999 (21) and CD(202) at -1.90303 63.7569 56.8347 in (null):P-9999 (25) neighbor-bump: 2.73456 Ang CB(188) at -0.370875 61.796 55.7011 in (null):Y-9999 (24) and CD(202) at -1.90303 63.7569 56.8347 in (null):P-9999 (25) other bump:1.96189 Ang O(168) at -3.553 62.698 56.762 in (null):D-9999 (21) and CD(202) at -1.90303 63.7569 56.8347 in (null):P-9999 (25) self-bump: 1.31796 Ang N(198) at -0.917 64.321 57.503 in (null):P-9999 (25) and CD(202) at -1.90303 63.7569 56.8347 in (null):P-9999 (25) other bump:2.54704 Ang O(168) at -3.553 62.698 56.762 in (null):D-9999 (21) and CG(201) at -2.55881 64.9796 56.2206 in (null):P-9999 (25) self-bump: 2.18493 Ang N(198) at -0.917 64.321 57.503 in (null):P-9999 (25) and CG(201) at -2.55881 64.9796 56.2206 in (null):P-9999 (25) other bump:2.33656 Ang CG(120) at -3.98568 59.4426 50.5957 in (null):P-9999 (15) and OD2(167) at -3.03327 60.5022 52.4476 in (null):D-9999 (21) other bump:3.03238 Ang CD(121) at -4.9952 60.4793 50.1604 in (null):P-9999 (15) and C(156) at -6.987 59.275 52.104 in (null):F-9999 (19) other bump:1.83259 Ang CD(121) at -4.9952 60.4793 50.1604 in (null):P-9999 (15) and O(155) at -6.27 59.955 51.368 in (null):F-9999 (19) other bump:2.46519 Ang CG(120) at -3.98568 59.4426 50.5957 in (null):P-9999 (15) and O(155) at -6.27 59.955 51.368 in (null):F-9999 (19) neighbor-bump: 2.63097 Ang C(131) at -6.214 55.906 46.203 in (null):I-9999 (16) and CB(134) at -8.48722 55.2461 45.0545 in (null):A-9999 (17) T0147_twice 340 :LII 1korA 92 :RPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 358 :NTQAMIATIASGNVHIISHPGNPKY 1korA 95 :IAKHLVRIAEEEGAEAIAHGATGKG Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.03038 Ang ND2(154) at 6.60781 49.9954 62.4155 in (null):N-9999 (22) and OH(183) at 4.93431 48.9781 62.9513 in (null):Y-9999 (25) other bump:2.49267 Ang CG(153) at 7.47394 50.9923 62.3195 in (null):N-9999 (22) and CZ(182) at 5.15273 50.0953 62.1755 in (null):Y-9999 (25) other bump:1.47813 Ang ND2(154) at 6.60781 49.9954 62.4155 in (null):N-9999 (22) and CZ(182) at 5.15273 50.0953 62.1755 in (null):Y-9999 (25) other bump:2.93324 Ang OD1(155) at 7.36918 51.8805 61.4653 in (null):N-9999 (22) and CZ(182) at 5.15273 50.0953 62.1755 in (null):Y-9999 (25) other bump:2.75822 Ang ND2(154) at 6.60781 49.9954 62.4155 in (null):N-9999 (22) and CE2(181) at 4.12496 50.6545 61.4111 in (null):Y-9999 (25) other bump:1.10923 Ang CG(153) at 7.47394 50.9923 62.3195 in (null):N-9999 (22) and CE1(180) at 6.43174 50.6517 62.1518 in (null):Y-9999 (25) other bump:0.728859 Ang ND2(154) at 6.60781 49.9954 62.4155 in (null):N-9999 (22) and CE1(180) at 6.43174 50.6517 62.1518 in (null):Y-9999 (25) other bump:1.6912 Ang OD1(155) at 7.36918 51.8805 61.4653 in (null):N-9999 (22) and CE1(180) at 6.43174 50.6517 62.1518 in (null):Y-9999 (25) other bump:2.5134 Ang CB(152) at 8.63293 50.9646 63.324 in (null):N-9999 (22) and CE1(180) at 6.43174 50.6517 62.1518 in (null):Y-9999 (25) other bump:1.4645 Ang CG(153) at 7.47394 50.9923 62.3195 in (null):N-9999 (22) and CD1(178) at 6.69192 51.7703 61.3562 in (null):Y-9999 (25) other bump:2.0687 Ang ND2(154) at 6.60781 49.9954 62.4155 in (null):N-9999 (22) and CD1(178) at 6.69192 51.7703 61.3562 in (null):Y-9999 (25) other bump:0.694776 Ang OD1(155) at 7.36918 51.8805 61.4653 in (null):N-9999 (22) and CD1(178) at 6.69192 51.7703 61.3562 in (null):Y-9999 (25) other bump:2.87906 Ang CB(152) at 8.63293 50.9646 63.324 in (null):N-9999 (22) and CD1(178) at 6.69192 51.7703 61.3562 in (null):Y-9999 (25) other bump:2.83797 Ang CG(153) at 7.47394 50.9923 62.3195 in (null):N-9999 (22) and CG(177) at 5.69088 52.3431 60.5731 in (null):Y-9999 (25) other bump:1.9562 Ang OD1(155) at 7.36918 51.8805 61.4653 in (null):N-9999 (22) and CG(177) at 5.69088 52.3431 60.5731 in (null):Y-9999 (25) other bump:2.76907 Ang OD1(155) at 7.36918 51.8805 61.4653 in (null):N-9999 (22) and CB(176) at 6.03004 53.4393 59.6093 in (null):Y-9999 (25) self-bump: 1.35772 Ang N(158) at 11.114 51.652 61.758 in (null):P-9999 (23) and CD(162) at 11.5933 51.0467 62.8749 in (null):P-9999 (23) self-bump: 2.2073 Ang N(158) at 11.114 51.652 61.758 in (null):P-9999 (23) and CG(161) at 12.9726 50.6771 62.4416 in (null):P-9999 (23) self-bump: 1.34469 Ang N(139) at 9.199 57.777 68.136 in (null):P-9999 (20) and CD(143) at 8.38062 58.6714 68.7178 in (null):P-9999 (20) self-bump: 2.19196 Ang N(139) at 9.199 57.777 68.136 in (null):P-9999 (20) and CG(142) at 7.28548 57.766 69.2051 in (null):P-9999 (20) other bump:2.90228 Ang CG1(62) at 14.5988 69.5817 69.5435 in (null):I-9999 (9) and CG2(119) at 14.517 67.331 67.713 in (null):I-9999 (17) other bump:1.48194 Ang CD1(64) at 14.6139 68.6822 68.3138 in (null):I-9999 (9) and CG2(119) at 14.517 67.331 67.713 in (null):I-9999 (17) other bump:2.93739 Ang CD1(64) at 14.6139 68.6822 68.3138 in (null):I-9999 (9) and CB(117) at 14.218 65.85 67.643 in (null):I-9999 (17) neighbor-bump: 3.00033 Ang CD2(101) at 22.836 66.4739 69.9828 in (null):H-9999 (15) and CG2(111) at 20.864 64.8419 68.4176 in (null):I-9999 (16) self-bump: 1.39313 Ang CA(98) at 21.115 69.128 69.563 in (null):H-9999 (15) and CB(99) at 22.4936 68.985 69.4226 in (null):H-9999 (15) other bump:2.45771 Ang CG2(63) at 16.8111 70.7815 69.1496 in (null):I-9999 (9) and O(95) at 19.127 70.984 69.947 in (null):V-9999 (14) other bump:2.72417 Ang OD1(7) at 6.26157 64.9572 66.7569 in (null):N-9999 (1) and CE(36) at 8.32965 64.3658 68.4285 in (null):M-9999 (5) other bump:3.19598 Ang OD1(7) at 6.26157 64.9572 66.7569 in (null):N-9999 (1) and SD(35) at 9.3726 65.3778 67.3559 in (null):M-9999 (5) T0147_twice 383 :EIDVKAVAEAAAKHQVAL 1korA 122 :QVRFELTAYALKPDIKVI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.66806 Ang CB(81) at 16.516 72.578 62.25 in (null):A-9999 (12) and CG(106) at 17.5441 70.4422 63.4748 in (null):Q-9999 (15) T0147_twice 459 :FPPERILNVSPRRLLNFLESRGMAP 1korA 140 :APWREWSFQGRKEMIAYAEAHGIPV Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.29462 Ang CG(151) at 7.67426 49.6222 80.9279 in (null):L-9999 (18) and C(193) at 6.064 50.653 83.611 in (null):M-9999 (23) other bump:2.35718 Ang CD1(152) at 8.22306 51.0469 80.9204 in (null):L-9999 (18) and SD(190) at 7.48805 52.942 79.7267 in (null):M-9999 (23) other bump:3.02456 Ang CG(151) at 7.67426 49.6222 80.9279 in (null):L-9999 (18) and CG(189) at 6.77894 52.4858 81.3102 in (null):M-9999 (23) other bump:2.07548 Ang CD1(152) at 8.22306 51.0469 80.9204 in (null):L-9999 (18) and CG(189) at 6.77894 52.4858 81.3102 in (null):M-9999 (23) other bump:2.61201 Ang CG(151) at 7.67426 49.6222 80.9279 in (null):L-9999 (18) and CB(188) at 7.80895 51.8636 82.2622 in (null):M-9999 (23) other bump:1.62446 Ang CD1(152) at 8.22306 51.0469 80.9204 in (null):L-9999 (18) and CB(188) at 7.80895 51.8636 82.2622 in (null):M-9999 (23) other bump:2.93929 Ang CD1(152) at 8.22306 51.0469 80.9204 in (null):L-9999 (18) and CA(187) at 7.25 51.611 83.636 in (null):M-9999 (23) other bump:2.59416 Ang CD2(142) at 13.503 49.342 78.708 in (null):F-9999 (17) and NH2(179) at 12.2359 51.5807 79.0433 in (null):R-9999 (21) other bump:2.28221 Ang CE2(144) at 14.234 50.527 78.718 in (null):F-9999 (17) and NH2(179) at 12.2359 51.5807 79.0433 in (null):R-9999 (21) other bump:2.37023 Ang CE2(144) at 14.234 50.527 78.718 in (null):F-9999 (17) and CZ(177) at 13.0574 52.2464 79.8481 in (null):R-9999 (21) other bump:2.42144 Ang CE2(144) at 14.234 50.527 78.718 in (null):F-9999 (17) and NE(176) at 13.5968 51.5369 80.8246 in (null):R-9999 (21) other bump:3.1112 Ang CZ(145) at 15.619 50.481 78.709 in (null):F-9999 (17) and NE(176) at 13.5968 51.5369 80.8246 in (null):R-9999 (21) other bump:0.736862 Ang N(71) at 14.745 42.111 70.833 in (null):V-9999 (9) and NH2(110) at 14.7418 42.6922 70.3801 in (null):R-9999 (13) other bump:1.80249 Ang CA(72) at 14.42 40.959 70.004 in (null):V-9999 (9) and NH2(110) at 14.7418 42.6922 70.3801 in (null):R-9999 (13) other bump:2.8127 Ang C(77) at 12.955 40.559 69.97 in (null):V-9999 (9) and NH2(110) at 14.7418 42.6922 70.3801 in (null):R-9999 (13) other bump:1.5399 Ang O(69) at 14.644 43.556 69.109 in (null):N-9999 (8) and NH2(110) at 14.7418 42.6922 70.3801 in (null):R-9999 (13) other bump:2.02691 Ang CA(64) at 15.234 44.457 71.247 in (null):N-9999 (8) and NH2(110) at 14.7418 42.6922 70.3801 in (null):R-9999 (13) other bump:0.647932 Ang C(70) at 14.847 43.327 70.304 in (null):N-9999 (8) and NH2(110) at 14.7418 42.6922 70.3801 in (null):R-9999 (13) other bump:2.0181 Ang N(71) at 14.745 42.111 70.833 in (null):V-9999 (9) and NH1(109) at 16.6724 41.9462 71.4079 in (null):R-9999 (13) other bump:2.02783 Ang CG1(74) at 16.7746 40.1202 70.5319 in (null):V-9999 (9) and NH1(109) at 16.6724 41.9462 71.4079 in (null):R-9999 (13) other bump:2.54118 Ang C(70) at 14.847 43.327 70.304 in (null):N-9999 (8) and NH1(109) at 16.6724 41.9462 71.4079 in (null):R-9999 (13) other bump:2.07262 Ang O(61) at 17.577 43.415 70.259 in (null):L-9999 (7) and NH1(109) at 16.6724 41.9462 71.4079 in (null):R-9999 (13) other bump:0.974016 Ang N(71) at 14.745 42.111 70.833 in (null):V-9999 (9) and CZ(108) at 15.4189 42.3759 71.4845 in (null):R-9999 (13) other bump:2.27973 Ang CA(72) at 14.42 40.959 70.004 in (null):V-9999 (9) and CZ(108) at 15.4189 42.3759 71.4845 in (null):R-9999 (13) other bump:2.77852 Ang CB(73) at 15.3088 39.7486 70.5871 in (null):V-9999 (9) and CZ(108) at 15.4189 42.3759 71.4845 in (null):R-9999 (13) other bump:2.79884 Ang CG1(74) at 16.7746 40.1202 70.5319 in (null):V-9999 (9) and CZ(108) at 15.4189 42.3759 71.4845 in (null):R-9999 (13) other bump:3.0687 Ang CG2(75) at 14.9207 39.3947 72.0147 in (null):V-9999 (9) and CZ(108) at 15.4189 42.3759 71.4845 in (null):R-9999 (13) other bump:2.10277 Ang CA(64) at 15.234 44.457 71.247 in (null):N-9999 (8) and CZ(108) at 15.4189 42.3759 71.4845 in (null):R-9999 (13) other bump:1.62025 Ang C(70) at 14.847 43.327 70.304 in (null):N-9999 (8) and CZ(108) at 15.4189 42.3759 71.4845 in (null):R-9999 (13) other bump:3.27183 Ang C(62) at 17.354 44.621 70.099 in (null):L-9999 (7) and CZ(108) at 15.4189 42.3759 71.4845 in (null):R-9999 (13) other bump:1.84471 Ang N(71) at 14.745 42.111 70.833 in (null):V-9999 (9) and NE(107) at 14.8039 42.3745 72.6578 in (null):R-9999 (13) other bump:2.55192 Ang CA(64) at 15.234 44.457 71.247 in (null):N-9999 (8) and NE(107) at 14.8039 42.3745 72.6578 in (null):R-9999 (13) other bump:2.53963 Ang C(70) at 14.847 43.327 70.304 in (null):N-9999 (8) and NE(107) at 14.8039 42.3745 72.6578 in (null):R-9999 (13) other bump:2.41968 Ang CD1(52) at 14.4415 49.1258 70.4533 in (null):I-9999 (6) and OD1(68) at 14.412 47.5748 72.3103 in (null):N-9999 (8) neighbor-bump: 2.43099 Ang O(53) at 18.025 47.654 67.786 in (null):I-9999 (6) and CD2(60) at 19.9905 46.5755 66.8461 in (null):L-9999 (7) self-bump: 1.3858 Ang N(20) at 13.929 52.772 67.213 in (null):P-9999 (3) and CD(24) at 12.985 53.7821 67.3084 in (null):P-9999 (3) Number of specific fragments= 9 total=724 Number of alignments=63 # 1pta read from T0147_twice.t2k-2track-undertaker.a2m # found chain 1pta in template set T0147_twice 104 :VFAPHDK 1pta 104 :FDIGRDV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.16321 Ang NE2(39) at 38.6039 58.707 -2.69897 in (null):H-9999 (5) and CG(53) at 39.2453 58.9358 -4.75221 in (null):K-9999 (7) self-bump: 2.16474 Ang CA(26) at 36.267 51.85 1.344 in (null):P-9999 (4) and CD(29) at 35.7142 51.679 3.42997 in (null):P-9999 (4) neighbor-bump: 2.29589 Ang CA(21) at 37.248 52.382 4.987 in (null):A-9999 (3) and CD(29) at 35.7142 51.679 3.42997 in (null):P-9999 (4) neighbor-bump: 0.896389 Ang O(23) at 35.209 52.318 3.804 in (null):A-9999 (3) and CD(29) at 35.7142 51.679 3.42997 in (null):P-9999 (4) neighbor-bump: 0.946962 Ang C(24) at 36.41 52.248 3.728 in (null):A-9999 (3) and CD(29) at 35.7142 51.679 3.42997 in (null):P-9999 (4) neighbor-bump: 2.29257 Ang O(23) at 35.209 52.318 3.804 in (null):A-9999 (3) and CG(28) at 35.7081 50.2825 2.87477 in (null):P-9999 (4) neighbor-bump: 2.25475 Ang C(24) at 36.41 52.248 3.728 in (null):A-9999 (3) and CG(28) at 35.7081 50.2825 2.87477 in (null):P-9999 (4) T0147_twice 115 :QAMIATIASGNVHIISHPGNPK 1pta 111 :SLLAEVSRAADVHIVAATGLWF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.09249 Ang C(123) at 41.09 61.992 1.266 in (null):H-9999 (17) and CD(128) at 42.4462 63.5833 1.18233 in (null):P-9999 (18) other bump:2.47901 Ang CG1(47) at 31.4293 64.1005 -7.49868 in (null):I-9999 (7) and CD1(97) at 30.246 63.816 -5.339 in (null):I-9999 (14) other bump:3.01086 Ang CE(21) at 34.3274 61.688 -2.89715 in (null):M-9999 (3) and CG2(96) at 32.953 64.276 -3.589 in (null):I-9999 (14) other bump:3.08946 Ang CG1(47) at 31.4293 64.1005 -7.49868 in (null):I-9999 (7) and CG1(95) at 30.801 65.06 -4.63 in (null):I-9999 (14) other bump:2.74576 Ang CD1(49) at 32.9219 64.1459 -7.19588 in (null):I-9999 (7) and CB(94) at 32.332 65.124 -4.699 in (null):I-9999 (14) T0147_twice 137 :YEIDVKAVAEAAA 1pta 143 :VEELTQFFLREIQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0147_twice 150 :KHQV 1pta 160 :DTGI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 154 :ALEINNSS 1pta 167 :IIKVATTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0147_twice 164 :HSRKGSEDNCREVAAAVRDAGGWVAL 1pta 175 :KATPFQELVLKAAARASLATGVPVTT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.50924 Ang CZ3(170) at 38.6123 68.7143 6.89372 in (null):W-9999 (23) and CB(183) at 38.618 67.759 9.214 in (null):A-9999 (25) other bump:2.47478 Ang CG2(125) at 47.1769 69.5904 6.76793 in (null):V-9999 (17) and CG2(178) at 45.639 68.885 8.574 in (null):V-9999 (24) other bump:2.82384 Ang CG1(102) at 46.5613 66.0428 9.09106 in (null):V-9999 (13) and CG1(177) at 44.373 67.475 10.156 in (null):V-9999 (24) other bump:2.0206 Ang C(64) at 51.332 60.544 13.563 in (null):D-9999 (8) and OE1(95) at 51.9445 60.8302 11.6588 in (null):E-9999 (12) other bump:1.11722 Ang O(63) at 51.779 61.271 12.672 in (null):D-9999 (8) and OE1(95) at 51.9445 60.8302 11.6588 in (null):E-9999 (12) other bump:3.00465 Ang C(64) at 51.332 60.544 13.563 in (null):D-9999 (8) and CD(94) at 53.0418 60.638 11.0941 in (null):E-9999 (12) other bump:2.11785 Ang O(63) at 51.779 61.271 12.672 in (null):D-9999 (8) and CD(94) at 53.0418 60.638 11.0941 in (null):E-9999 (12) other bump:2.00766 Ang OE2(54) at 53.746 62.997 20.923 in (null):E-9999 (7) and NH2(87) at 54.7493 64.2297 19.6964 in (null):R-9999 (11) T0147_twice 194 :HTAFTMGEFEECLKILDAVDFPPERI 1pta 201 :HTAASQRDGEQQAAIFESEGLSPSRV Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.96061 Ang CD2(164) at 47.4338 73.1584 11.5007 in (null):F-9999 (21) and CG2(208) at 44.8798 71.7262 11.938 in (null):I-9999 (26) other bump:2.22349 Ang CE2(166) at 46.2189 73.1091 10.8252 in (null):F-9999 (21) and CG2(208) at 44.8798 71.7262 11.938 in (null):I-9999 (26) other bump:3.11696 Ang CZ(167) at 46.2018 73.0825 9.46247 in (null):F-9999 (21) and CG2(208) at 44.8798 71.7262 11.938 in (null):I-9999 (26) other bump:3.1143 Ang CE2(166) at 46.2189 73.1091 10.8252 in (null):F-9999 (21) and C(203) at 43.461 73.718 9.513 in (null):R-9999 (25) other bump:2.81402 Ang CZ(167) at 46.2018 73.0825 9.46247 in (null):F-9999 (21) and C(203) at 43.461 73.718 9.513 in (null):R-9999 (25) other bump:2.391 Ang CE1(165) at 47.3823 73.139 8.77078 in (null):F-9999 (21) and CB(195) at 45.498 74.596 8.562 in (null):R-9999 (25) other bump:2.80229 Ang CE2(166) at 46.2189 73.1091 10.8252 in (null):F-9999 (21) and CB(195) at 45.498 74.596 8.562 in (null):R-9999 (25) other bump:1.89658 Ang CZ(167) at 46.2018 73.0825 9.46247 in (null):F-9999 (21) and CB(195) at 45.498 74.596 8.562 in (null):R-9999 (25) other bump:2.89876 Ang CZ(167) at 46.2018 73.0825 9.46247 in (null):F-9999 (21) and CA(194) at 44.063 74.975 8.966 in (null):R-9999 (25) neighbor-bump: 2.93657 Ang CE2(166) at 46.2189 73.1091 10.8252 in (null):F-9999 (21) and O(175) at 46.546 75.941 11.53 in (null):P-9999 (22) other bump:2.57335 Ang CB(14) at 38.181 64.884 20.024 in (null):T-9999 (2) and CZ(71) at 36.6968 66.9507 19.6391 in (null):F-9999 (9) other bump:2.25623 Ang CG2(15) at 38.832 66.225 19.709 in (null):T-9999 (2) and CZ(71) at 36.6968 66.9507 19.6391 in (null):F-9999 (9) other bump:2.06046 Ang OG1(16) at 36.739 64.936 20.069 in (null):T-9999 (2) and CZ(71) at 36.6968 66.9507 19.6391 in (null):F-9999 (9) other bump:2.79878 Ang CA(13) at 38.684 63.773 19.085 in (null):T-9999 (2) and CE1(69) at 37.9854 66.4315 19.6119 in (null):F-9999 (9) other bump:1.61328 Ang CB(14) at 38.181 64.884 20.024 in (null):T-9999 (2) and CE1(69) at 37.9854 66.4315 19.6119 in (null):F-9999 (9) other bump:0.876829 Ang CG2(15) at 38.832 66.225 19.709 in (null):T-9999 (2) and CE1(69) at 37.9854 66.4315 19.6119 in (null):F-9999 (9) other bump:1.99969 Ang OG1(16) at 36.739 64.936 20.069 in (null):T-9999 (2) and CE1(69) at 37.9854 66.4315 19.6119 in (null):F-9999 (9) other bump:2.41581 Ang CB(14) at 38.181 64.884 20.024 in (null):T-9999 (2) and CD1(67) at 39.0453 67.1352 20.1695 in (null):F-9999 (9) other bump:1.04215 Ang CG2(15) at 38.832 66.225 19.709 in (null):T-9999 (2) and CD1(67) at 39.0453 67.1352 20.1695 in (null):F-9999 (9) other bump:2.40139 Ang CG2(15) at 38.832 66.225 19.709 in (null):T-9999 (2) and CG(66) at 38.8171 68.3816 20.7651 in (null):F-9999 (9) other bump:2.53242 Ang CA(20) at 39.236 60.632 21.18 in (null):A-9999 (3) and OE2(60) at 41.571 61.3759 21.8184 in (null):E-9999 (8) other bump:1.65089 Ang CB(21) at 40.659 60.064 21.403 in (null):A-9999 (3) and OE2(60) at 41.571 61.3759 21.8184 in (null):E-9999 (8) other bump:2.7609 Ang CA(13) at 38.684 63.773 19.085 in (null):T-9999 (2) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:1.9904 Ang C(18) at 38.334 62.451 19.749 in (null):T-9999 (2) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:0.909437 Ang N(19) at 39.315 61.903 20.479 in (null):A-9999 (3) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:1.73915 Ang CA(20) at 39.236 60.632 21.18 in (null):A-9999 (3) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:2.48719 Ang C(23) at 38.32 60.634 22.426 in (null):A-9999 (3) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:2.45619 Ang CB(21) at 40.659 60.064 21.403 in (null):A-9999 (3) and OE1(59) at 39.6883 62.3112 21.2009 in (null):E-9999 (8) other bump:3.11573 Ang C(18) at 38.334 62.451 19.749 in (null):T-9999 (2) and CD(58) at 40.7916 62.3026 21.6585 in (null):E-9999 (8) other bump:1.93162 Ang N(19) at 39.315 61.903 20.479 in (null):A-9999 (3) and CD(58) at 40.7916 62.3026 21.6585 in (null):E-9999 (8) other bump:2.33233 Ang CA(20) at 39.236 60.632 21.18 in (null):A-9999 (3) and CD(58) at 40.7916 62.3026 21.6585 in (null):E-9999 (8) other bump:3.07931 Ang C(23) at 38.32 60.634 22.426 in (null):A-9999 (3) and CD(58) at 40.7916 62.3026 21.6585 in (null):E-9999 (8) other bump:2.25706 Ang CB(21) at 40.659 60.064 21.403 in (null):A-9999 (3) and CD(58) at 40.7916 62.3026 21.6585 in (null):E-9999 (8) other bump:1.96716 Ang OG1(39) at 41.0343 62.8465 24.5713 in (null):T-9999 (5) and CB(56) at 40.7503 64.3287 23.3095 in (null):E-9999 (8) other bump:2.78281 Ang OG1(39) at 41.0343 62.8465 24.5713 in (null):T-9999 (5) and CA(55) at 41.495 65.524 23.969 in (null):E-9999 (8) T0147_twice 373 :IISHPGNPK 1pta 227 :CIGHSDDTD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.29345 Ang CA(42) at 28.112 65.273 20.589 in (null):G-9999 (6) and CD(57) at 27.7305 66.0905 23.7565 in (null):P-9999 (8) other bump:2.68703 Ang C(44) at 28.154 66.656 21.164 in (null):G-9999 (6) and CD(57) at 27.7305 66.0905 23.7565 in (null):P-9999 (8) neighbor-bump: 2.06539 Ang N(45) at 27.125 66.938 21.973 in (null):N-9999 (7) and CD(57) at 27.7305 66.0905 23.7565 in (null):P-9999 (8) self-bump: 1.33032 Ang N(53) at 27.946 67.12 24.571 in (null):P-9999 (8) and CD(57) at 27.7305 66.0905 23.7565 in (null):P-9999 (8) self-bump: 2.20485 Ang N(53) at 27.946 67.12 24.571 in (null):P-9999 (8) and CG(56) at 27.6723 64.939 24.7428 in (null):P-9999 (8) T0147_twice 386 :VKAVAEAAAKHQVALEI 1pta 236 :DLSYLTALAARGYLIGL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.82258 Ang C(53) at 39.571 77.188 20.329 in (null):A-9999 (8) and CG1(90) at 39.975 75.6777 17.9789 in (null):V-9999 (13) neighbor-bump: 2.55093 Ang O(76) at 44.033 79.945 17.622 in (null):H-9999 (11) and CG(81) at 43.7815 81.761 15.8483 in (null):Q-9999 (12) neighbor-bump: 2.26312 Ang O(76) at 44.033 79.945 17.622 in (null):H-9999 (11) and CB(80) at 43.3058 80.3524 15.518 in (null):Q-9999 (12) other bump:2.62577 Ang O(47) at 40.502 78.463 22.723 in (null):A-9999 (7) and CD2(72) at 43.0461 77.8217 22.6174 in (null):H-9999 (11) T0147_twice 403 :NNSS 1pta 256 :PHSA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 409 :HSRKGSEDNCREVAAAVRDAGG 1pta 271 :LLGIRSWQTRALLIKALIDQGY Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.07837 Ang O(63) at 18.285 72.04 19.043 in (null):D-9999 (8) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:1.71051 Ang C(64) at 17.712 70.93 19.165 in (null):D-9999 (8) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:2.10727 Ang N(65) at 17.864 70.089 20.218 in (null):N-9999 (9) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:2.02357 Ang CA(66) at 18.771 70.444 21.323 in (null):N-9999 (9) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:2.41559 Ang O(71) at 20.876 71.576 21.131 in (null):N-9999 (9) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:2.15593 Ang C(72) at 20.215 70.591 20.82 in (null):N-9999 (9) and OE2(96) at 18.7796 71.9743 19.999 in (null):E-9999 (12) other bump:1.68305 Ang O(63) at 18.285 72.04 19.043 in (null):D-9999 (8) and OE1(95) at 17.2631 73.3726 19.1549 in (null):E-9999 (12) other bump:2.48352 Ang C(64) at 17.712 70.93 19.165 in (null):D-9999 (8) and OE1(95) at 17.2631 73.3726 19.1549 in (null):E-9999 (12) other bump:1.42923 Ang O(63) at 18.285 72.04 19.043 in (null):D-9999 (8) and CD(94) at 18.2282 73.1355 19.9592 in (null):E-9999 (12) other bump:2.4003 Ang C(64) at 17.712 70.93 19.165 in (null):D-9999 (8) and CD(94) at 18.2282 73.1355 19.9592 in (null):E-9999 (12) other bump:3.06573 Ang CA(66) at 18.771 70.444 21.323 in (null):N-9999 (9) and CD(94) at 18.2282 73.1355 19.9592 in (null):E-9999 (12) other bump:2.08726 Ang CG(51) at 17.2695 67.4639 14.9054 in (null):E-9999 (7) and NH2(87) at 16.5036 69.2982 14.2689 in (null):R-9999 (11) other bump:2.84878 Ang CG(51) at 17.2695 67.4639 14.9054 in (null):E-9999 (7) and CZ(85) at 17.4798 70.1332 13.9328 in (null):R-9999 (11) neighbor-bump: 2.50495 Ang CG(21) at 17.7334 61.7529 27.4404 in (null):R-9999 (3) and N(29) at 18.456 60.35 25.495 in (null):K-9999 (4) neighbor-bump: 1.77265 Ang O(16) at 20.797 61.849 27.973 in (null):S-9999 (2) and CB(20) at 19.1065 61.3198 27.9064 in (null):R-9999 (3) neighbor-bump: 2.28494 Ang C(17) at 21.289 60.769 28.299 in (null):S-9999 (2) and CB(20) at 19.1065 61.3198 27.9064 in (null):R-9999 (3) T0147_twice 431 :WVALGSDS 1pta 295 :QILVSNDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0147_twice 443 :TMGEFEECLKILDAVDFPPERILNVSPRRLLNFLESRGMA 1pta 303 :LFGFSSYVTNIMDVMDRVNPDGMAFIPLRVIPFLREKGVP Fragment has 57 clashes (null) has 57 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.74391 Ang CD(164) at 14.2781 67.1461 6.31775 in (null):R-9999 (21) and CD(230) at 13.34 68.273 8.637 in (null):R-9999 (29) other bump:2.35802 Ang NE(165) at 15.1 67.2086 7.4838 in (null):R-9999 (21) and CD(230) at 13.34 68.273 8.637 in (null):R-9999 (29) other bump:2.59551 Ang CZ(166) at 15.8685 68.1077 8.07461 in (null):R-9999 (21) and CD(230) at 13.34 68.273 8.637 in (null):R-9999 (29) other bump:2.91487 Ang NE(165) at 15.1 67.2086 7.4838 in (null):R-9999 (21) and CG(229) at 13.71 69.65 8.261 in (null):R-9999 (29) other bump:2.44494 Ang CZ(166) at 15.8685 68.1077 8.07461 in (null):R-9999 (21) and CB(228) at 14.903 70.143 9.025 in (null):R-9999 (29) other bump:2.90117 Ang NH2(168) at 16.4664 67.7048 9.19076 in (null):R-9999 (21) and CB(228) at 14.903 70.143 9.025 in (null):R-9999 (29) other bump:1.96644 Ang NH1(167) at 16.1141 69.3625 7.68671 in (null):R-9999 (21) and CB(228) at 14.903 70.143 9.025 in (null):R-9999 (29) other bump:2.49912 Ang NH1(167) at 16.1141 69.3625 7.68671 in (null):R-9999 (21) and CA(227) at 15.156 71.533 8.472 in (null):R-9999 (29) other bump:2.1581 Ang NH1(167) at 16.1141 69.3625 7.68671 in (null):R-9999 (21) and N(226) at 15.687 71.402 7.125 in (null):R-9999 (29) other bump:2.4693 Ang CG(163) at 14.311 65.7667 5.66975 in (null):R-9999 (21) and NH1(222) at 14.3465 65.8307 3.20154 in (null):R-9999 (28) other bump:2.5517 Ang CA(161) at 15.744 64.101 4.453 in (null):R-9999 (21) and NH1(222) at 14.3465 65.8307 3.20154 in (null):R-9999 (28) other bump:3.03804 Ang CG(163) at 14.311 65.7667 5.66975 in (null):R-9999 (21) and CZ(221) at 13.4718 66.8013 2.93936 in (null):R-9999 (28) other bump:2.85365 Ang CB(189) at 17.774 67.5282 1.68172 in (null):N-9999 (24) and CD(219) at 15.1918 68.5074 2.40049 in (null):R-9999 (28) other bump:2.88483 Ang NH1(167) at 16.1141 69.3625 7.68671 in (null):R-9999 (21) and C(201) at 18.827 69.035 6.762 in (null):V-9999 (25) other bump:1.99741 Ang NH1(167) at 16.1141 69.3625 7.68671 in (null):R-9999 (21) and O(200) at 18.033 69.773 7.314 in (null):V-9999 (25) other bump:3.04581 Ang CZ(166) at 15.8685 68.1077 8.07461 in (null):R-9999 (21) and CG1(198) at 18.6266 66.9675 8.68235 in (null):V-9999 (25) other bump:2.33847 Ang NH2(168) at 16.4664 67.7048 9.19076 in (null):R-9999 (21) and CG1(198) at 18.6266 66.9675 8.68235 in (null):V-9999 (25) other bump:3.16328 Ang CZ(166) at 15.8685 68.1077 8.07461 in (null):R-9999 (21) and CA(196) at 18.42 67.657 6.26 in (null):V-9999 (25) neighbor-bump: 2.301 Ang CG2(175) at 21.2049 61.8296 2.78994 in (null):I-9999 (22) and N(179) at 20.799 64.094 2.84 in (null):L-9999 (23) self-bump: 1.31825 Ang CA(172) at 19.08 62.535 3.583 in (null):I-9999 (22) and CB(173) at 19.6999 61.7101 2.76261 in (null):I-9999 (22) other bump:2.67462 Ang CE(14) at 17.6384 62.9343 10.2328 in (null):M-9999 (2) and CB(146) at 18.1063 60.9566 8.494 in (null):P-9999 (19) other bump:3.22691 Ang CA(112) at 15.36 51.517 8.374 in (null):V-9999 (15) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) other bump:1.99228 Ang O(116) at 14.273 53.614 8.842 in (null):V-9999 (15) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) other bump:2.34288 Ang C(117) at 14.743 52.556 9.284 in (null):V-9999 (15) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) other bump:2.99169 Ang N(118) at 14.689 52.163 10.557 in (null):D-9999 (16) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) other bump:2.80109 Ang C(125) at 15.188 54.081 11.938 in (null):D-9999 (16) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) neighbor-bump: 2.59466 Ang N(126) at 16.471 53.734 11.703 in (null):F-9999 (17) and CD(141) at 15.9738 54.5495 9.29053 in (null):P-9999 (18) other bump:2.07355 Ang O(116) at 14.273 53.614 8.842 in (null):V-9999 (15) and CG(140) at 15.5039 54.9987 7.91082 in (null):P-9999 (18) other bump:2.90369 Ang C(117) at 14.743 52.556 9.284 in (null):V-9999 (15) and CG(140) at 15.5039 54.9987 7.91082 in (null):P-9999 (18) other bump:2.91089 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CZ(134) at 22.6434 54.7648 13.3149 in (null):F-9999 (17) other bump:2.18267 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CZ(134) at 22.6434 54.7648 13.3149 in (null):F-9999 (17) other bump:2.72788 Ang CD1(94) at 22.2143 51.2197 11.4056 in (null):L-9999 (12) and CE2(133) at 22.5663 53.7531 12.3539 in (null):F-9999 (17) other bump:2.89517 Ang CG(68) at 22.0462 55.1724 9.88471 in (null):L-9999 (9) and CE2(133) at 22.5663 53.7531 12.3539 in (null):F-9999 (17) other bump:2.19325 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CE2(133) at 22.5663 53.7531 12.3539 in (null):F-9999 (17) other bump:2.81647 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CE2(133) at 22.5663 53.7531 12.3539 in (null):F-9999 (17) other bump:2.7505 Ang OE2(27) at 19.1353 56.4746 14.723 in (null):E-9999 (4) and CE1(132) at 21.4744 55.3671 13.7917 in (null):F-9999 (17) other bump:0.989196 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CE1(132) at 21.4744 55.3671 13.7917 in (null):F-9999 (17) other bump:2.56253 Ang CB(23) at 22.1996 57.8016 13.4543 in (null):E-9999 (4) and CE1(132) at 21.4744 55.3671 13.7917 in (null):F-9999 (17) other bump:2.13262 Ang CG(24) at 21.3792 57.3211 14.6406 in (null):E-9999 (4) and CE1(132) at 21.4744 55.3671 13.7917 in (null):F-9999 (17) other bump:1.60082 Ang CD(25) at 20.285 56.3469 14.2254 in (null):E-9999 (4) and CE1(132) at 21.4744 55.3671 13.7917 in (null):F-9999 (17) other bump:2.36024 Ang CD1(94) at 22.2143 51.2197 11.4056 in (null):L-9999 (12) and CD2(131) at 21.3232 53.3539 11.8766 in (null):F-9999 (17) other bump:2.79236 Ang CG(68) at 22.0462 55.1724 9.88471 in (null):L-9999 (9) and CD2(131) at 21.3232 53.3539 11.8766 in (null):F-9999 (17) other bump:1.50773 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CD2(131) at 21.3232 53.3539 11.8766 in (null):F-9999 (17) other bump:2.69293 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CD2(131) at 21.3232 53.3539 11.8766 in (null):F-9999 (17) other bump:2.35273 Ang OE2(27) at 19.1353 56.4746 14.723 in (null):E-9999 (4) and CD1(130) at 20.2334 54.9543 13.3023 in (null):F-9999 (17) other bump:2.65505 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CD1(130) at 20.2334 54.9543 13.3023 in (null):F-9999 (17) other bump:0.604411 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CD1(130) at 20.2334 54.9543 13.3023 in (null):F-9999 (17) other bump:1.67148 Ang CD(25) at 20.285 56.3469 14.2254 in (null):E-9999 (4) and CD1(130) at 20.2334 54.9543 13.3023 in (null):F-9999 (17) other bump:1.84902 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CG(129) at 20.1474 53.9444 12.3429 in (null):F-9999 (17) other bump:1.88269 Ang OE1(26) at 20.5715 55.4466 13.3956 in (null):E-9999 (4) and CG(129) at 20.1474 53.9444 12.3429 in (null):F-9999 (17) other bump:3.05521 Ang CD(25) at 20.285 56.3469 14.2254 in (null):E-9999 (4) and CG(129) at 20.1474 53.9444 12.3429 in (null):F-9999 (17) other bump:2.68309 Ang CD2(70) at 21.123 54.4431 10.8535 in (null):L-9999 (9) and CB(128) at 18.8198 53.4728 11.8295 in (null):F-9999 (17) other bump:2.51415 Ang CE2(37) at 29.9405 56.4568 9.04217 in (null):F-9999 (5) and OE1(55) at 31.8582 55.7658 7.57044 in (null):E-9999 (7) other bump:2.71162 Ang CZ(38) at 30.6009 57.6831 9.01821 in (null):F-9999 (5) and OE1(55) at 31.8582 55.7658 7.57044 in (null):E-9999 (7) other bump:3.10338 Ang CE2(37) at 29.9405 56.4568 9.04217 in (null):F-9999 (5) and CD(54) at 31.5189 54.6771 7.049 in (null):E-9999 (7) other bump:2.78925 Ang CD2(35) at 28.944 56.227 9.97523 in (null):F-9999 (5) and CB(52) at 29.1311 55.456 7.30119 in (null):E-9999 (7) other bump:2.16514 Ang CE2(37) at 29.9405 56.4568 9.04217 in (null):F-9999 (5) and CB(52) at 29.1311 55.456 7.30119 in (null):E-9999 (7) Number of specific fragments= 13 total=737 Number of alignments=64 # 1qfeA read from T0147_twice.t2k-2track-undertaker.a2m # found chain 1qfeA in template set T0147_twice 90 :FDSLDLIIAGFHE 1qfeA 12 :GEGMPKIIVSLMG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.47314 Ang O(0) at 20.145 34.434 47.342 in (null):G-9999 (0) and CD1(6) at 17.9084 35.3989 47.77 in (null):F-9999 (1) T0147_twice 109 :DKATNTQAMIATIASGNVHIISHPGNPK 1qfeA 25 :RDINSVKAEALAYREATFDILEWRVDHF Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues self-bump: 1.37917 Ang N(187) at 3.787 15.919 58.036 in (null):P-9999 (27) and CD(191) at 4.40176 16.7848 57.1559 in (null):P-9999 (27) neighbor-bump: 2.41841 Ang N(179) at 4.34 18.457 58.902 in (null):N-9999 (26) and CD(191) at 4.40176 16.7848 57.1559 in (null):P-9999 (27) neighbor-bump: 2.39798 Ang OD1(184) at 4.26654 18.9761 56.1913 in (null):N-9999 (26) and CD(191) at 4.40176 16.7848 57.1559 in (null):P-9999 (27) other bump:2.38813 Ang O(173) at 6.775 16.775 57.422 in (null):P-9999 (24) and CD(191) at 4.40176 16.7848 57.1559 in (null):P-9999 (27) other bump:2.98273 Ang C(174) at 7.135 17.958 57.379 in (null):P-9999 (24) and CD(191) at 4.40176 16.7848 57.1559 in (null):P-9999 (27) other bump:2.58882 Ang OD1(36) at 9.38788 8.71131 57.2376 in (null):N-9999 (5) and SD(64) at 10.6892 9.8894 55.3349 in (null):M-9999 (9) T0147_twice 137 :YEIDVKAVAEAAAKHQVALEINNSSFLHSRKGSEDNCREVAAAVRDAGGWVAL 1qfeA 61 :VLTAARVIRDAMPDIPLLFTFRSAKEGGEQTITTQHYLTLNRAAIDSGLVDMI Fragment has 108 clashes (null) has 108 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 55 residues other bump:1.63637 Ang NE(339) at 11.0528 31.1797 63.2664 in (null):R-9999 (45) and CD1(396) at 10.3493 30.2662 62.1052 in (null):L-9999 (53) other bump:1.99917 Ang CZ(340) at 10.0159 31.976 63.0862 in (null):R-9999 (45) and CD1(396) at 10.3493 30.2662 62.1052 in (null):L-9999 (53) other bump:1.93569 Ang NH2(342) at 9.31141 31.8939 61.9626 in (null):R-9999 (45) and CD1(396) at 10.3493 30.2662 62.1052 in (null):L-9999 (53) other bump:2.97923 Ang CD(338) at 11.8259 31.2154 64.5124 in (null):R-9999 (45) and CD1(396) at 10.3493 30.2662 62.1052 in (null):L-9999 (53) other bump:2.84084 Ang NE(339) at 11.0528 31.1797 63.2664 in (null):R-9999 (45) and CG(395) at 10.7988 30.0418 60.6758 in (null):L-9999 (53) other bump:2.7522 Ang NE1(374) at 13.917 26.9579 59.1618 in (null):W-9999 (50) and CA(393) at 11.418 28.101 59.01 in (null):L-9999 (53) other bump:3.15575 Ang CE2(372) at 14.026 25.7293 58.569 in (null):W-9999 (50) and N(392) at 12.733 28.607 58.646 in (null):L-9999 (53) other bump:2.09463 Ang NE1(374) at 13.917 26.9579 59.1618 in (null):W-9999 (50) and N(392) at 12.733 28.607 58.646 in (null):L-9999 (53) other bump:2.09995 Ang CE2(372) at 14.026 25.7293 58.569 in (null):W-9999 (50) and C(391) at 13.792 27.816 58.539 in (null):A-9999 (52) other bump:1.06766 Ang NE1(374) at 13.917 26.9579 59.1618 in (null):W-9999 (50) and C(391) at 13.792 27.816 58.539 in (null):A-9999 (52) other bump:2.80426 Ang CZ2(375) at 13.6164 25.2997 57.3138 in (null):W-9999 (50) and C(391) at 13.792 27.816 58.539 in (null):A-9999 (52) other bump:3.25498 Ang CG(369) at 14.929 25.62 60.6555 in (null):W-9999 (50) and C(391) at 13.792 27.816 58.539 in (null):A-9999 (52) other bump:2.20934 Ang CD1(370) at 14.4777 26.877 60.4176 in (null):W-9999 (50) and C(391) at 13.792 27.816 58.539 in (null):A-9999 (52) other bump:2.09369 Ang CD2(371) at 14.6634 24.8612 59.4779 in (null):W-9999 (50) and O(390) at 13.766 26.615 58.769 in (null):A-9999 (52) other bump:0.944468 Ang CE2(372) at 14.026 25.7293 58.569 in (null):W-9999 (50) and O(390) at 13.766 26.615 58.769 in (null):A-9999 (52) other bump:0.542808 Ang NE1(374) at 13.917 26.9579 59.1618 in (null):W-9999 (50) and O(390) at 13.766 26.615 58.769 in (null):A-9999 (52) other bump:1.96726 Ang CZ2(375) at 13.6164 25.2997 57.3138 in (null):W-9999 (50) and O(390) at 13.766 26.615 58.769 in (null):A-9999 (52) other bump:2.42931 Ang CG(369) at 14.929 25.62 60.6555 in (null):W-9999 (50) and O(390) at 13.766 26.615 58.769 in (null):A-9999 (52) other bump:1.8147 Ang CD1(370) at 14.4777 26.877 60.4176 in (null):W-9999 (50) and O(390) at 13.766 26.615 58.769 in (null):A-9999 (52) other bump:2.98192 Ang CE2(372) at 14.026 25.7293 58.569 in (null):W-9999 (50) and CA(388) at 15.074 28.477 58.075 in (null):A-9999 (52) other bump:2.1972 Ang NE1(374) at 13.917 26.9579 59.1618 in (null):W-9999 (50) and CA(388) at 15.074 28.477 58.075 in (null):A-9999 (52) other bump:2.89887 Ang CD1(370) at 14.4777 26.877 60.4176 in (null):W-9999 (50) and CA(388) at 15.074 28.477 58.075 in (null):A-9999 (52) other bump:2.90778 Ang CE2(372) at 14.026 25.7293 58.569 in (null):W-9999 (50) and N(387) at 16.177 27.686 58.563 in (null):A-9999 (52) other bump:2.44878 Ang NE1(374) at 13.917 26.9579 59.1618 in (null):W-9999 (50) and N(387) at 16.177 27.686 58.563 in (null):A-9999 (52) other bump:2.64229 Ang CD1(370) at 14.4777 26.877 60.4176 in (null):W-9999 (50) and N(387) at 16.177 27.686 58.563 in (null):A-9999 (52) other bump:3.05859 Ang N(124) at 18.796 23.575 56.491 in (null):V-9999 (17) and CG2(384) at 18.7576 26.5759 57.0809 in (null):V-9999 (51) other bump:1.89372 Ang O(134) at 12.79 22.447 56.715 in (null):A-9999 (18) and CH2(377) at 13.8495 23.9931 56.9855 in (null):W-9999 (50) other bump:0.868693 Ang C(135) at 13.073 23.606 57.028 in (null):A-9999 (18) and CH2(377) at 13.8495 23.9931 56.9855 in (null):W-9999 (50) other bump:1.72917 Ang N(136) at 12.523 24.226 58.07 in (null):L-9999 (19) and CH2(377) at 13.8495 23.9931 56.9855 in (null):W-9999 (50) other bump:3.07085 Ang CA(137) at 11.516 23.607 58.944 in (null):L-9999 (19) and CH2(377) at 13.8495 23.9931 56.9855 in (null):W-9999 (50) other bump:2.29333 Ang CB(133) at 13.656 24.644 54.795 in (null):A-9999 (18) and CH2(377) at 13.8495 23.9931 56.9855 in (null):W-9999 (50) other bump:2.52868 Ang C(130) at 16.374 23.848 56.996 in (null):V-9999 (17) and CH2(377) at 13.8495 23.9931 56.9855 in (null):W-9999 (50) other bump:1.71357 Ang N(131) at 15.329 23.599 56.216 in (null):A-9999 (18) and CH2(377) at 13.8495 23.9931 56.9855 in (null):W-9999 (50) other bump:0.901235 Ang CA(132) at 14.125 24.4 56.23 in (null):A-9999 (18) and CH2(377) at 13.8495 23.9931 56.9855 in (null):W-9999 (50) other bump:2.83244 Ang O(129) at 16.452 24.835 57.721 in (null):V-9999 (17) and CH2(377) at 13.8495 23.9931 56.9855 in (null):W-9999 (50) other bump:2.1516 Ang O(134) at 12.79 22.447 56.715 in (null):A-9999 (18) and CZ3(376) at 14.4875 23.1026 57.863 in (null):W-9999 (50) other bump:1.71801 Ang C(135) at 13.073 23.606 57.028 in (null):A-9999 (18) and CZ3(376) at 14.4875 23.1026 57.863 in (null):W-9999 (50) other bump:2.2725 Ang N(136) at 12.523 24.226 58.07 in (null):L-9999 (19) and CZ3(376) at 14.4875 23.1026 57.863 in (null):W-9999 (50) other bump:3.20204 Ang CA(137) at 11.516 23.607 58.944 in (null):L-9999 (19) and CZ3(376) at 14.4875 23.1026 57.863 in (null):W-9999 (50) other bump:3.23803 Ang CA(125) at 17.556 22.885 56.852 in (null):V-9999 (17) and CZ3(376) at 14.4875 23.1026 57.863 in (null):W-9999 (50) other bump:2.74854 Ang CG1(127) at 16.4631 21.3261 58.5671 in (null):V-9999 (17) and CZ3(376) at 14.4875 23.1026 57.863 in (null):W-9999 (50) other bump:2.20589 Ang C(130) at 16.374 23.848 56.996 in (null):V-9999 (17) and CZ3(376) at 14.4875 23.1026 57.863 in (null):W-9999 (50) other bump:1.91494 Ang N(131) at 15.329 23.599 56.216 in (null):A-9999 (18) and CZ3(376) at 14.4875 23.1026 57.863 in (null):W-9999 (50) other bump:2.1169 Ang CA(132) at 14.125 24.4 56.23 in (null):A-9999 (18) and CZ3(376) at 14.4875 23.1026 57.863 in (null):W-9999 (50) other bump:2.62304 Ang O(129) at 16.452 24.835 57.721 in (null):V-9999 (17) and CZ3(376) at 14.4875 23.1026 57.863 in (null):W-9999 (50) other bump:3.02973 Ang O(134) at 12.79 22.447 56.715 in (null):A-9999 (18) and CZ2(375) at 13.6164 25.2997 57.3138 in (null):W-9999 (50) other bump:1.80153 Ang C(135) at 13.073 23.606 57.028 in (null):A-9999 (18) and CZ2(375) at 13.6164 25.2997 57.3138 in (null):W-9999 (50) other bump:1.70886 Ang N(136) at 12.523 24.226 58.07 in (null):L-9999 (19) and CZ2(375) at 13.6164 25.2997 57.3138 in (null):W-9999 (50) other bump:3.1519 Ang CA(137) at 11.516 23.607 58.944 in (null):L-9999 (19) and CZ2(375) at 13.6164 25.2997 57.3138 in (null):W-9999 (50) other bump:2.60303 Ang CB(133) at 13.656 24.644 54.795 in (null):A-9999 (18) and CZ2(375) at 13.6164 25.2997 57.3138 in (null):W-9999 (50) other bump:3.13252 Ang C(130) at 16.374 23.848 56.996 in (null):V-9999 (17) and CZ2(375) at 13.6164 25.2997 57.3138 in (null):W-9999 (50) other bump:2.65149 Ang N(131) at 15.329 23.599 56.216 in (null):A-9999 (18) and CZ2(375) at 13.6164 25.2997 57.3138 in (null):W-9999 (50) other bump:1.49755 Ang CA(132) at 14.125 24.4 56.23 in (null):A-9999 (18) and CZ2(375) at 13.6164 25.2997 57.3138 in (null):W-9999 (50) other bump:2.90212 Ang O(129) at 16.452 24.835 57.721 in (null):V-9999 (17) and CZ2(375) at 13.6164 25.2997 57.3138 in (null):W-9999 (50) other bump:2.76273 Ang C(135) at 13.073 23.606 57.028 in (null):A-9999 (18) and CE3(373) at 14.8808 23.5413 59.1161 in (null):W-9999 (50) other bump:2.66878 Ang N(136) at 12.523 24.226 58.07 in (null):L-9999 (19) and CE3(373) at 14.8808 23.5413 59.1161 in (null):W-9999 (50) other bump:2.77708 Ang CG1(127) at 16.4631 21.3261 58.5671 in (null):V-9999 (17) and CE3(373) at 14.8808 23.5413 59.1161 in (null):W-9999 (50) other bump:2.61126 Ang C(130) at 16.374 23.848 56.996 in (null):V-9999 (17) and CE3(373) at 14.8808 23.5413 59.1161 in (null):W-9999 (50) other bump:2.93514 Ang N(131) at 15.329 23.599 56.216 in (null):A-9999 (18) and CE3(373) at 14.8808 23.5413 59.1161 in (null):W-9999 (50) other bump:3.10457 Ang CA(132) at 14.125 24.4 56.23 in (null):A-9999 (18) and CE3(373) at 14.8808 23.5413 59.1161 in (null):W-9999 (50) other bump:2.46752 Ang O(129) at 16.452 24.835 57.721 in (null):V-9999 (17) and CE3(373) at 14.8808 23.5413 59.1161 in (null):W-9999 (50) other bump:2.79132 Ang C(135) at 13.073 23.606 57.028 in (null):A-9999 (18) and CE2(372) at 14.026 25.7293 58.569 in (null):W-9999 (50) other bump:2.18361 Ang N(136) at 12.523 24.226 58.07 in (null):L-9999 (19) and CE2(372) at 14.026 25.7293 58.569 in (null):W-9999 (50) other bump:2.69216 Ang CA(132) at 14.125 24.4 56.23 in (null):A-9999 (18) and CE2(372) at 14.026 25.7293 58.569 in (null):W-9999 (50) other bump:2.72106 Ang O(129) at 16.452 24.835 57.721 in (null):V-9999 (17) and CE2(372) at 14.026 25.7293 58.569 in (null):W-9999 (50) other bump:2.6395 Ang N(136) at 12.523 24.226 58.07 in (null):L-9999 (19) and CD2(371) at 14.6634 24.8612 59.4779 in (null):W-9999 (50) other bump:2.50731 Ang O(129) at 16.452 24.835 57.721 in (null):V-9999 (17) and CD2(371) at 14.6634 24.8612 59.4779 in (null):W-9999 (50) other bump:2.54977 Ang CE2(9) at 9.54726 21.3957 65.0558 in (null):Y-9999 (1) and CG2(331) at 10.9538 23.5222 65.0281 in (null):V-9999 (44) other bump:3.08008 Ang CZ(10) at 9.00211 21.2043 63.7958 in (null):Y-9999 (1) and CG1(308) at 6.83799 22.7243 65.3748 in (null):V-9999 (40) other bump:3.03434 Ang CE2(9) at 9.54726 21.3957 65.0558 in (null):Y-9999 (1) and CG1(308) at 6.83799 22.7243 65.3748 in (null):V-9999 (40) other bump:2.66025 Ang OG(180) at -5.96469 21.2568 57.0707 in (null):S-9999 (24) and CG(238) at -6.76619 21.0192 59.5962 in (null):K-9999 (31) other bump:2.20585 Ang ND1(213) at -0.477804 19.2948 57.3168 in (null):H-9999 (28) and N(224) at -2.085 17.907 57.914 in (null):R-9999 (30) other bump:2.82381 Ang CE1(214) at 0.443587 19.1146 58.2632 in (null):H-9999 (28) and N(224) at -2.085 17.907 57.914 in (null):R-9999 (30) neighbor-bump: 3.08795 Ang ND1(213) at -0.477804 19.2948 57.3168 in (null):H-9999 (28) and CA(219) at -1.408 16.723 55.883 in (null):S-9999 (29) neighbor-bump: 2.40891 Ang ND1(213) at -0.477804 19.2948 57.3168 in (null):H-9999 (28) and N(218) at -0.821 17.947 55.35 in (null):S-9999 (29) other bump:2.15897 Ang O(167) at 0.466 21.378 56.7 in (null):N-9999 (22) and NE2(215) at 1.36131 20.0502 58.1479 in (null):H-9999 (28) other bump:2.36872 Ang O(167) at 0.466 21.378 56.7 in (null):N-9999 (22) and ND1(213) at -0.477804 19.2948 57.3168 in (null):H-9999 (28) other bump:2.63949 Ang N(161) at 3.197 22.438 56.99 in (null):N-9999 (22) and CD2(212) at 1.07786 20.8673 57.0854 in (null):H-9999 (28) other bump:2.57151 Ang CA(162) at 2.231 22.896 56.005 in (null):N-9999 (22) and CD2(212) at 1.07786 20.8673 57.0854 in (null):H-9999 (28) other bump:0.885295 Ang O(167) at 0.466 21.378 56.7 in (null):N-9999 (22) and CD2(212) at 1.07786 20.8673 57.0854 in (null):H-9999 (28) other bump:1.79759 Ang C(168) at 0.81 22.546 56.501 in (null):N-9999 (22) and CD2(212) at 1.07786 20.8673 57.0854 in (null):H-9999 (28) other bump:3.21393 Ang C(176) at -2.201 22.766 56.09 in (null):N-9999 (23) and CG(211) at -0.0983849 20.3835 56.5719 in (null):H-9999 (28) other bump:1.1506 Ang O(167) at 0.466 21.378 56.7 in (null):N-9999 (22) and CG(211) at -0.0983849 20.3835 56.5719 in (null):H-9999 (28) other bump:2.34658 Ang C(168) at 0.81 22.546 56.501 in (null):N-9999 (22) and CG(211) at -0.0983849 20.3835 56.5719 in (null):H-9999 (28) other bump:2.38889 Ang O(175) at -1.903 22.994 54.917 in (null):N-9999 (23) and CB(210) at -0.871607 20.8917 55.3896 in (null):H-9999 (28) other bump:3.09027 Ang CA(170) at -1.351 23.332 57.224 in (null):N-9999 (23) and CB(210) at -0.871607 20.8917 55.3896 in (null):H-9999 (28) other bump:2.40225 Ang C(176) at -2.201 22.766 56.09 in (null):N-9999 (23) and CB(210) at -0.871607 20.8917 55.3896 in (null):H-9999 (28) other bump:2.83012 Ang N(177) at -3.246 22.018 56.44 in (null):S-9999 (24) and CB(210) at -0.871607 20.8917 55.3896 in (null):H-9999 (28) other bump:2.72363 Ang OD1(166) at 0.495765 22.0179 53.3208 in (null):N-9999 (22) and CB(210) at -0.871607 20.8917 55.3896 in (null):H-9999 (28) other bump:1.93461 Ang O(167) at 0.466 21.378 56.7 in (null):N-9999 (22) and CB(210) at -0.871607 20.8917 55.3896 in (null):H-9999 (28) other bump:2.60761 Ang C(168) at 0.81 22.546 56.501 in (null):N-9999 (22) and CB(210) at -0.871607 20.8917 55.3896 in (null):H-9999 (28) other bump:3.12389 Ang N(169) at -0.002 23.566 56.75 in (null):N-9999 (23) and CB(210) at -0.871607 20.8917 55.3896 in (null):H-9999 (28) other bump:2.49816 Ang OD1(166) at 0.495765 22.0179 53.3208 in (null):N-9999 (22) and CA(209) at -0.723 19.947 54.004 in (null):H-9999 (28) neighbor-bump: 2.46368 Ang OG(186) at -5.02601 26.5737 55.3803 in (null):S-9999 (25) and CD1(193) at -2.90005 27.5299 54.583 in (null):F-9999 (26) other bump:2.44947 Ang OD1(174) at -1.87451 25.6848 55.8255 in (null):N-9999 (23) and CD1(193) at -2.90005 27.5299 54.583 in (null):F-9999 (26) other bump:2.92775 Ang CZ(10) at 9.00211 21.2043 63.7958 in (null):Y-9999 (1) and CD2(141) at 11.102 22.334 62.097 in (null):L-9999 (19) other bump:2.05184 Ang OH(11) at 9.19561 22.1818 62.8403 in (null):Y-9999 (1) and CD2(141) at 11.102 22.334 62.097 in (null):L-9999 (19) other bump:2.30931 Ang OH(11) at 9.19561 22.1818 62.8403 in (null):Y-9999 (1) and CD1(140) at 9.569 24.152 61.695 in (null):L-9999 (19) other bump:2.51568 Ang OH(11) at 9.19561 22.1818 62.8403 in (null):Y-9999 (1) and CG(139) at 10.787 23.508 61.413 in (null):L-9999 (19) other bump:2.35904 Ang CB(88) at 22.101 16.224 56.212 in (null):A-9999 (12) and NE2(112) at 20.251 17.4573 55.4236 in (null):H-9999 (15) other bump:1.26599 Ang CB(88) at 22.101 16.224 56.212 in (null):A-9999 (12) and CE1(111) at 21.4599 17.2774 55.9255 in (null):H-9999 (15) other bump:2.49931 Ang CA(87) at 23.18 16.073 57.281 in (null):A-9999 (12) and CE1(111) at 21.4599 17.2774 55.9255 in (null):H-9999 (15) other bump:2.41246 Ang O(89) at 22.691 18.372 57.688 in (null):A-9999 (12) and CE1(111) at 21.4599 17.2774 55.9255 in (null):H-9999 (15) other bump:2.81675 Ang C(90) at 23.421 17.412 57.943 in (null):A-9999 (12) and CE1(111) at 21.4599 17.2774 55.9255 in (null):H-9999 (15) other bump:2.09803 Ang CB(88) at 22.101 16.224 56.212 in (null):A-9999 (12) and ND1(110) at 22.2884 18.1203 55.3342 in (null):H-9999 (15) other bump:2.96254 Ang CA(87) at 23.18 16.073 57.281 in (null):A-9999 (12) and ND1(110) at 22.2884 18.1203 55.3342 in (null):H-9999 (15) other bump:2.40121 Ang O(89) at 22.691 18.372 57.688 in (null):A-9999 (12) and ND1(110) at 22.2884 18.1203 55.3342 in (null):H-9999 (15) other bump:2.93095 Ang C(90) at 23.421 17.412 57.943 in (null):A-9999 (12) and ND1(110) at 22.2884 18.1203 55.3342 in (null):H-9999 (15) T0147_twice 250 :DLHMHTVA 1qfeA 114 :DLELFTGD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.52487 Ang O(51) at -2.844 33.7 61.493 in (null):T-9999 (6) and CG2(57) at -2.42136 35.5768 63.1282 in (null):V-9999 (7) neighbor-bump: 2.95718 Ang C(52) at -2.095 33.934 60.535 in (null):T-9999 (6) and CG1(56) at -4.43891 35.3399 61.664 in (null):V-9999 (7) T0147_twice 356 :ATNTQAMIATIASGNVHIIS 1qfeA 122 :ADVKATVDYAHAHNVYVVMS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.34022 Ang CE(48) at 6.9444 37.1374 57.5089 in (null):M-9999 (7) and CD1(132) at 7.49575 36.9074 55.2462 in (null):I-9999 (19) other bump:2.28841 Ang NE2(116) at 7.53936 33.9789 56.9585 in (null):H-9999 (17) and CG1(130) at 7.53773 35.3995 55.1645 in (null):I-9999 (19) other bump:2.20939 Ang CD2(113) at 8.74282 34.6332 56.8503 in (null):H-9999 (17) and CG1(130) at 7.53773 35.3995 55.1645 in (null):I-9999 (19) other bump:2.90953 Ang CG2(67) at 13.7827 32.8102 61.7525 in (null):T-9999 (10) and C(101) at 16.311 32.784 60.313 in (null):N-9999 (15) other bump:2.64817 Ang CG2(67) at 13.7827 32.8102 61.7525 in (null):T-9999 (10) and O(100) at 15.862 33.901 60.528 in (null):N-9999 (15) other bump:2.41193 Ang OG(87) at 16.1049 32.4501 66.0969 in (null):S-9999 (13) and ND2(98) at 16.5923 30.683 64.5293 in (null):N-9999 (15) other bump:2.80434 Ang CG2(67) at 13.7827 32.8102 61.7525 in (null):T-9999 (10) and CB(96) at 16.0516 31.2374 62.2447 in (null):N-9999 (15) other bump:2.31107 Ang OD1(19) at 4.97822 37.2909 58.7137 in (null):N-9999 (3) and CE(48) at 6.9444 37.1374 57.5089 in (null):M-9999 (7) other bump:2.69934 Ang OD1(19) at 4.97822 37.2909 58.7137 in (null):N-9999 (3) and SD(47) at 7.50321 38.2386 58.8271 in (null):M-9999 (7) T0147_twice 376 :HPGNPKY 1qfeA 143 :HDFHQTP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.0565 Ang C(11) at -1.867 28.208 47.956 in (null):H-9999 (1) and CD(16) at -1.7361 29.4976 46.3595 in (null):P-9999 (2) neighbor-bump: 2.83754 Ang C(11) at -1.867 28.208 47.956 in (null):H-9999 (1) and CG(15) at -3.06363 30.2013 46.3292 in (null):P-9999 (2) T0147_twice 383 :EIDVKAVAEAAAKHQVALEIN 1qfeA 152 :EEMVSRLRKMQALGADIPKIA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.85226 Ang CB(71) at 5.609 37.843 51.395 in (null):A-9999 (10) and CD2(129) at 7.26966 37.4324 50.6847 in (null):L-9999 (18) other bump:2.96572 Ang CA(70) at 5.359 39.073 52.251 in (null):A-9999 (10) and CD2(129) at 7.26966 37.4324 50.6847 in (null):L-9999 (18) other bump:3.06174 Ang C(73) at 6.665 39.798 52.532 in (null):A-9999 (10) and CD2(129) at 7.26966 37.4324 50.6847 in (null):L-9999 (18) other bump:1.95714 Ang O(53) at 6.199 39.891 48.655 in (null):V-9999 (7) and CD1(128) at 7.75105 38.7021 48.5657 in (null):L-9999 (18) other bump:2.69177 Ang CG2(52) at 6.78369 37.9422 46.1714 in (null):V-9999 (7) and CD1(128) at 7.75105 38.7021 48.5657 in (null):L-9999 (18) other bump:2.13316 Ang CB(71) at 5.609 37.843 51.395 in (null):A-9999 (10) and NE2(109) at 5.74814 36.6519 53.1591 in (null):Q-9999 (15) other bump:2.61497 Ang CA(70) at 5.359 39.073 52.251 in (null):A-9999 (10) and NE2(109) at 5.74814 36.6519 53.1591 in (null):Q-9999 (15) T0147_twice 410 :SRKGSEDNCREVAAAVRDA 1qfeA 173 :VMPQSKHDVLTLLTATLEM Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.03969 Ang OD1(51) at -3.36336 30.3808 27.4695 in (null):D-9999 (7) and NH2(77) at -1.53563 30.4503 26.5668 in (null):R-9999 (10) other bump:2.93395 Ang CG(22) at -0.655974 26.684 36.0202 in (null):K-9999 (3) and SG(66) at 1.13967 26.1257 33.7681 in (null):C-9999 (9) other bump:1.66889 Ang CD(23) at 0.607472 26.1723 35.3492 in (null):K-9999 (3) and SG(66) at 1.13967 26.1257 33.7681 in (null):C-9999 (9) other bump:2.43736 Ang CE(24) at 1.85627 26.7355 36.0165 in (null):K-9999 (3) and SG(66) at 1.13967 26.1257 33.7681 in (null):C-9999 (9) other bump:2.48286 Ang NZ(25) at 2.6635 27.5724 35.0908 in (null):K-9999 (3) and SG(66) at 1.13967 26.1257 33.7681 in (null):C-9999 (9) other bump:3.01739 Ang CD(23) at 0.607472 26.1723 35.3492 in (null):K-9999 (3) and CB(65) at 1.66209 27.6484 32.9381 in (null):C-9999 (9) other bump:2.37545 Ang NZ(25) at 2.6635 27.5724 35.0908 in (null):K-9999 (3) and CB(65) at 1.66209 27.6484 32.9381 in (null):C-9999 (9) other bump:3.19666 Ang CD(23) at 0.607472 26.1723 35.3492 in (null):K-9999 (3) and CA(64) at 1.128 28.844 33.673 in (null):C-9999 (9) other bump:2.44639 Ang NZ(25) at 2.6635 27.5724 35.0908 in (null):K-9999 (3) and CA(64) at 1.128 28.844 33.673 in (null):C-9999 (9) Number of specific fragments= 8 total=745 Number of alignments=65 # 1ubpC read from T0147_twice.t2k-2track-undertaker.a2m # found chain 1ubpC in template set T0147_twice 3 :PVDLHMHTVAST 1ubpC 133 :GIDTHVHFINPD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0147_twice 23 :YIAQAKQKGIKLF 1ubpC 145 :QVDVALANGITTL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.01696 Ang CB(38) at 15.793 82.569 73.907 in (null):A-9999 (5) and CZ(105) at 16.7141 82.1464 72.1631 in (null):F-9999 (13) other bump:2.93843 Ang CB(38) at 15.793 82.569 73.907 in (null):A-9999 (5) and CE2(104) at 17.8848 81.4345 72.1832 in (null):F-9999 (13) other bump:2.95059 Ang CB(38) at 15.793 82.569 73.907 in (null):A-9999 (5) and CE1(103) at 16.0285 82.3578 70.9734 in (null):F-9999 (13) other bump:2.50895 Ang C(26) at 11.279 82.043 76.329 in (null):A-9999 (3) and OE1(55) at 10.2763 83.3645 78.2113 in (null):Q-9999 (7) other bump:1.81871 Ang O(25) at 11.318 83.215 76.728 in (null):A-9999 (3) and OE1(55) at 10.2763 83.3645 78.2113 in (null):Q-9999 (7) other bump:2.37023 Ang O(25) at 11.318 83.215 76.728 in (null):A-9999 (3) and CD(54) at 9.73644 84.4389 78.0003 in (null):Q-9999 (7) T0147_twice 41 :GPDMEDAPHH 1ubpC 160 :GGTGPAEGSK Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.67452 Ang C(37) at 17.534 64.26 72.729 in (null):E-9999 (5) and NE2(75) at 18.1934 65.9649 74.6813 in (null):H-9999 (10) other bump:2.1316 Ang CA(30) at 16.869 65.593 73.053 in (null):E-9999 (5) and NE2(75) at 18.1934 65.9649 74.6813 in (null):H-9999 (10) other bump:2.61569 Ang CB(31) at 15.6346 65.7017 74.207 in (null):E-9999 (5) and NE2(75) at 18.1934 65.9649 74.6813 in (null):H-9999 (10) other bump:2.67705 Ang C(37) at 17.534 64.26 72.729 in (null):E-9999 (5) and CD2(72) at 19.3567 65.7988 73.9441 in (null):H-9999 (10) other bump:2.65049 Ang CA(30) at 16.869 65.593 73.053 in (null):E-9999 (5) and CD2(72) at 19.3567 65.7988 73.9441 in (null):H-9999 (10) other bump:2.34688 Ang CB(15) at 17.6876 66.3145 65.8182 in (null):D-9999 (3) and NE2(65) at 19.9923 66.0955 66.2037 in (null):H-9999 (9) other bump:2.79348 Ang N(13) at 18.37 68.252 67.03 in (null):D-9999 (3) and CE1(64) at 20.6945 67.176 65.9153 in (null):H-9999 (9) other bump:3.09838 Ang C(12) at 18.731 69.465 66.626 in (null):P-9999 (2) and CE1(64) at 20.6945 67.176 65.9153 in (null):H-9999 (9) other bump:3.08282 Ang CA(7) at 20.077 69.916 67.186 in (null):P-9999 (2) and CE1(64) at 20.6945 67.176 65.9153 in (null):H-9999 (9) other bump:2.86621 Ang C(12) at 18.731 69.465 66.626 in (null):P-9999 (2) and ND1(63) at 21.0115 67.7805 67.0469 in (null):H-9999 (9) other bump:2.33512 Ang CA(7) at 20.077 69.916 67.186 in (null):P-9999 (2) and ND1(63) at 21.0115 67.7805 67.0469 in (null):H-9999 (9) other bump:2.74769 Ang N(13) at 18.37 68.252 67.03 in (null):D-9999 (3) and CD2(62) at 19.8536 66.0024 67.5669 in (null):H-9999 (9) other bump:2.80123 Ang CB(15) at 17.6876 66.3145 65.8182 in (null):D-9999 (3) and CD2(62) at 19.8536 66.0024 67.5669 in (null):H-9999 (9) other bump:2.66201 Ang N(13) at 18.37 68.252 67.03 in (null):D-9999 (3) and CG(61) at 20.4959 67.0653 68.1063 in (null):H-9999 (9) other bump:3.02472 Ang CA(7) at 20.077 69.916 67.186 in (null):P-9999 (2) and CG(61) at 20.4959 67.0653 68.1063 in (null):H-9999 (9) other bump:2.58259 Ang CG(41) at 20.1824 62.5668 68.8469 in (null):D-9999 (6) and CD(55) at 22.6379 62.2764 69.5923 in (null):P-9999 (8) other bump:1.96178 Ang OD1(42) at 20.772 61.6777 69.501 in (null):D-9999 (6) and CD(55) at 22.6379 62.2764 69.5923 in (null):P-9999 (8) neighbor-bump: 2.80479 Ang SD(25) at 13.0198 65.606 71.147 in (null):M-9999 (4) and OE1(34) at 14.0116 67.5081 72.954 in (null):E-9999 (5) neighbor-bump: 2.25333 Ang CG(24) at 14.6682 65.1635 70.5653 in (null):M-9999 (4) and N(29) at 16.074 66.196 71.992 in (null):E-9999 (5) neighbor-bump: 1.99484 Ang O(19) at 15.188 66.664 67.535 in (null):D-9999 (3) and CB(23) at 15.1166 66.0824 69.4418 in (null):M-9999 (4) neighbor-bump: 2.4371 Ang C(20) at 16.125 67.44 67.687 in (null):D-9999 (3) and CB(23) at 15.1166 66.0824 69.4418 in (null):M-9999 (4) neighbor-bump: 2.57161 Ang N(2) at 22.341 74.161 66.514 in (null):G-9999 (1) and CD(10) at 20.6744 72.2727 67.0336 in (null):P-9999 (2) neighbor-bump: 1.79822 Ang CA(3) at 21.87 72.942 65.869 in (null):G-9999 (1) and CD(10) at 20.6744 72.2727 67.0336 in (null):P-9999 (2) neighbor-bump: 1.3333 Ang O(4) at 21.486 72.156 68.085 in (null):G-9999 (1) and CD(10) at 20.6744 72.2727 67.0336 in (null):P-9999 (2) neighbor-bump: 0.669724 Ang C(5) at 21.267 71.994 66.893 in (null):G-9999 (1) and CD(10) at 20.6744 72.2727 67.0336 in (null):P-9999 (2) neighbor-bump: 1.84032 Ang O(4) at 21.486 72.156 68.085 in (null):G-9999 (1) and CG(9) at 19.6481 72.0704 68.124 in (null):P-9999 (2) neighbor-bump: 2.03523 Ang C(5) at 21.267 71.994 66.893 in (null):G-9999 (1) and CG(9) at 19.6481 72.0704 68.124 in (null):P-9999 (2) neighbor-bump: 2.25095 Ang O(4) at 21.486 72.156 68.085 in (null):G-9999 (1) and CB(8) at 19.8757 70.6479 68.5314 in (null):P-9999 (2) neighbor-bump: 2.53618 Ang C(5) at 21.267 71.994 66.893 in (null):G-9999 (1) and CB(8) at 19.8757 70.6479 68.5314 in (null):P-9999 (2) T0147_twice 52 :HFINMRIWPRVVDGVGILRG 1ubpC 176 :GPWNIEKMLKSTEGLPINVG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.84186 Ang C(79) at 14.286 72.273 60.667 in (null):W-9999 (8) and NH1(158) at 15.2542 74.1767 62.5417 in (null):R-9999 (19) other bump:2.78972 Ang CA(88) at 10.449 72.443 58.608 in (null):R-9999 (10) and OD2(117) at 9.00328 74.7995 58.2349 in (null):D-9999 (13) other bump:2.90168 Ang C(97) at 9.926 72.702 60.015 in (null):R-9999 (10) and OD2(117) at 9.00328 74.7995 58.2349 in (null):D-9999 (13) other bump:2.93619 Ang C(86) at 12.544 73.693 58.723 in (null):P-9999 (9) and CG1(108) at 12.8005 76.2418 60.158 in (null):V-9999 (12) other bump:2.15432 Ang O(85) at 11.933 74.759 58.858 in (null):P-9999 (9) and CG1(108) at 12.8005 76.2418 60.158 in (null):V-9999 (12) other bump:2.98112 Ang C(57) at 14.314 69.36 57.18 in (null):R-9999 (6) and CD(84) at 15.5245 71.7026 58.5707 in (null):P-9999 (9) other bump:2.62133 Ang C(46) at 17.206 69.888 57.704 in (null):M-9999 (5) and CD(84) at 15.5245 71.7026 58.5707 in (null):P-9999 (9) other bump:1.40999 Ang O(45) at 16.581 70.866 58.156 in (null):M-9999 (5) and CD(84) at 15.5245 71.7026 58.5707 in (null):P-9999 (9) other bump:3.1241 Ang C(46) at 17.206 69.888 57.704 in (null):M-9999 (5) and CG(83) at 15.9028 72.7208 57.5113 in (null):P-9999 (9) other bump:2.07744 Ang O(45) at 16.581 70.866 58.156 in (null):M-9999 (5) and CG(83) at 15.9028 72.7208 57.5113 in (null):P-9999 (9) T0147_twice 128 :IISHPGNPK 1ubpC 196 :ILGKGHGSS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.87857 Ang ND2(49) at 34.522 65.9948 54.9637 in (null):N-9999 (7) and O(67) at 34.343 65.314 53.222 in (null):K-9999 (9) neighbor-bump: 2.13069 Ang C(52) at 35.996 64.333 57.222 in (null):N-9999 (7) and CD(57) at 36.1323 62.2102 57.1 in (null):P-9999 (8) other bump:3.1321 Ang CD2(28) at 30.2638 65.8096 61.4297 in (null):H-9999 (4) and CA(42) at 33.207 66.38 60.523 in (null):G-9999 (6) other bump:2.96945 Ang NE2(31) at 31.1351 65.3388 62.3779 in (null):H-9999 (4) and CA(42) at 33.207 66.38 60.523 in (null):G-9999 (6) neighbor-bump: 1.93543 Ang C(33) at 29.471 68.834 60.58 in (null):H-9999 (4) and CD(38) at 29.6751 69.8032 62.2428 in (null):P-9999 (5) neighbor-bump: 2.1605 Ang CA(25) at 28.195 68.505 61.353 in (null):H-9999 (4) and CD(38) at 29.6751 69.8032 62.2428 in (null):P-9999 (5) self-bump: 1.28754 Ang N(34) at 30.412 69.479 61.238 in (null):P-9999 (5) and CD(38) at 29.6751 69.8032 62.2428 in (null):P-9999 (5) self-bump: 2.0599 Ang N(34) at 30.412 69.479 61.238 in (null):P-9999 (5) and CG(37) at 30.8115 70.3371 63.0675 in (null):P-9999 (5) self-bump: 2.14693 Ang N(34) at 30.412 69.479 61.238 in (null):P-9999 (5) and CB(36) at 31.8127 70.8635 62.0927 in (null):P-9999 (5) T0147_twice 141 :VKAVAEAAAKHQVA 1ubpC 205 :IAPIMEQIDAGAAG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.40413 Ang CB(96) at 28.3535 77.6935 59.0017 in (null):A-9999 (14) and N(99) at 28.743 75.526 59.966 in (null):G-9999 (15) self-bump: 2.15231 Ang CB(96) at 28.3535 77.6935 59.0017 in (null):A-9999 (14) and C(98) at 27.595 75.704 59.316 in (null):A-9999 (14) self-bump: 1.23045 Ang CA(95) at 27.267 77.127 58.89 in (null):A-9999 (14) and CB(96) at 28.3535 77.6935 59.0017 in (null):A-9999 (14) other bump:2.8544 Ang CA(45) at 24.707 69.693 54.417 in (null):A-9999 (7) and NE2(84) at 24.7919 70.4292 57.1735 in (null):Q-9999 (12) other bump:1.82483 Ang CB(46) at 25.496 69.573 55.724 in (null):A-9999 (7) and NE2(84) at 24.7919 70.4292 57.1735 in (null):Q-9999 (12) neighbor-bump: 2.65688 Ang C(67) at 19.935 72.213 52.822 in (null):K-9999 (10) and CD2(72) at 17.6089 73.0301 51.8317 in (null):H-9999 (11) neighbor-bump: 1.90777 Ang O(66) at 18.731 72.086 53.052 in (null):K-9999 (10) and CD2(72) at 17.6089 73.0301 51.8317 in (null):H-9999 (11) neighbor-bump: 2.72595 Ang C(67) at 19.935 72.213 52.822 in (null):K-9999 (10) and CG(71) at 17.6436 73.6759 53.0221 in (null):H-9999 (11) neighbor-bump: 1.92644 Ang O(66) at 18.731 72.086 53.052 in (null):K-9999 (10) and CG(71) at 17.6436 73.6759 53.0221 in (null):H-9999 (11) neighbor-bump: 2.34457 Ang C(67) at 19.935 72.213 52.822 in (null):K-9999 (10) and CB(70) at 18.5818 73.5317 54.2101 in (null):H-9999 (11) neighbor-bump: 1.85836 Ang O(66) at 18.731 72.086 53.052 in (null):K-9999 (10) and CB(70) at 18.5818 73.5317 54.2101 in (null):H-9999 (11) T0147_twice 158 :NNSS 1ubpC 222 :HEDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 167 :KGSEDNCREVAAAVRDAGGWVALGSDSHTAFTM 1ubpC 226 :GATPASIDRSLTVADEADVQVAIHSDTLNEAGF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.87659 Ang CD2(164) at 37.8035 74.1696 68.2439 in (null):L-9999 (23) and CB(173) at 39.398 72.768 70.185 in (null):S-9999 (25) other bump:3.13292 Ang CD2(164) at 37.8035 74.1696 68.2439 in (null):L-9999 (23) and CA(172) at 38.218 71.77 70.215 in (null):S-9999 (25) neighbor-bump: 3.09333 Ang NE1(141) at 32.5012 80.8445 63.4099 in (null):W-9999 (20) and C(153) at 32.808 77.853 62.685 in (null):V-9999 (21) neighbor-bump: 2.59741 Ang CD1(137) at 32.1682 80.8128 62.0821 in (null):W-9999 (20) and O(152) at 33.518 78.803 63.023 in (null):V-9999 (21) neighbor-bump: 2.3133 Ang NE1(141) at 32.5012 80.8445 63.4099 in (null):W-9999 (20) and O(152) at 33.518 78.803 63.023 in (null):V-9999 (21) other bump:2.28576 Ang CG2(98) at 32.9716 76.392 56.9713 in (null):V-9999 (14) and CG2(151) at 33.62 76.464 59.162 in (null):V-9999 (21) neighbor-bump: 2.68079 Ang CD1(137) at 32.1682 80.8128 62.0821 in (null):W-9999 (20) and N(147) at 32.226 78.68 60.459 in (null):V-9999 (21) other bump:2.17539 Ang CG1(97) at 33.3868 78.7949 56.4151 in (null):V-9999 (14) and O(131) at 31.691 80.112 56.764 in (null):G-9999 (19) T0147_twice 216 :PERILNVSPRRLLNFLESRG 1ubpC 259 :LEDTLRAINGRVIHSFHVEG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.50679 Ang OG(63) at 41.6889 76.5188 62.5398 in (null):S-9999 (8) and CD1(107) at 39.3957 77.4946 62.8102 in (null):L-9999 (13) neighbor-bump: 1.74297 Ang CA(61) at 43.062 76.157 60.732 in (null):S-9999 (8) and CD(70) at 44.4946 75.8721 59.781 in (null):P-9999 (9) other bump:3.1922 Ang CA(54) at 45.036 72.884 60.765 in (null):V-9999 (7) and CD(70) at 44.4946 75.8721 59.781 in (null):P-9999 (9) other bump:2.12393 Ang O(58) at 43.691 74.018 59.127 in (null):V-9999 (7) and CD(70) at 44.4946 75.8721 59.781 in (null):P-9999 (9) other bump:1.9558 Ang C(59) at 44.127 74.019 60.287 in (null):V-9999 (7) and CD(70) at 44.4946 75.8721 59.781 in (null):P-9999 (9) neighbor-bump: 2.3036 Ang O(64) at 43.163 77.384 58.664 in (null):S-9999 (8) and CD(70) at 44.4946 75.8721 59.781 in (null):P-9999 (9) neighbor-bump: 1.76132 Ang N(60) at 43.831 74.98 61.147 in (null):S-9999 (8) and CD(70) at 44.4946 75.8721 59.781 in (null):P-9999 (9) neighbor-bump: 1.27743 Ang C(65) at 43.784 76.923 59.631 in (null):S-9999 (8) and CD(70) at 44.4946 75.8721 59.781 in (null):P-9999 (9) self-bump: 1.33115 Ang N(66) at 45.102 77.056 59.744 in (null):P-9999 (9) and CD(70) at 44.4946 75.8721 59.781 in (null):P-9999 (9) neighbor-bump: 2.6176 Ang CA(61) at 43.062 76.157 60.732 in (null):S-9999 (8) and CG(69) at 44.0864 75.9125 58.3356 in (null):P-9999 (9) other bump:2.09085 Ang O(58) at 43.691 74.018 59.127 in (null):V-9999 (7) and CG(69) at 44.0864 75.9125 58.3356 in (null):P-9999 (9) other bump:2.71932 Ang C(59) at 44.127 74.019 60.287 in (null):V-9999 (7) and CG(69) at 44.0864 75.9125 58.3356 in (null):P-9999 (9) neighbor-bump: 1.76804 Ang O(64) at 43.163 77.384 58.664 in (null):S-9999 (8) and CG(69) at 44.0864 75.9125 58.3356 in (null):P-9999 (9) neighbor-bump: 2.97296 Ang N(60) at 43.831 74.98 61.147 in (null):S-9999 (8) and CG(69) at 44.0864 75.9125 58.3356 in (null):P-9999 (9) neighbor-bump: 1.6705 Ang C(65) at 43.784 76.923 59.631 in (null):S-9999 (8) and CG(69) at 44.0864 75.9125 58.3356 in (null):P-9999 (9) self-bump: 2.07906 Ang N(66) at 45.102 77.056 59.744 in (null):P-9999 (9) and CG(69) at 44.0864 75.9125 58.3356 in (null):P-9999 (9) neighbor-bump: 2.53422 Ang C(65) at 43.784 76.923 59.631 in (null):S-9999 (8) and CB(68) at 45.311 76.4473 57.6652 in (null):P-9999 (9) T0147_twice 281 :AITDHGPDMEDAPHHWHFINMRIWPRVVDGVG 1ubpC 279 :AGGGHAPDIMAMAGHPNVLPSSTNPTRPFTVN Fragment has 50 clashes (null) has 50 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.52667 Ang CG1(236) at 32.0739 87.9705 87.5973 in (null):V-9999 (28) and N(240) at 32.815 85.584 87.224 in (null):D-9999 (29) neighbor-bump: 2.72276 Ang CB(228) at 30.8614 85.7202 83.0531 in (null):V-9999 (27) and CA(234) at 31.054 86.333 85.699 in (null):V-9999 (28) neighbor-bump: 2.38247 Ang CG1(229) at 30.4173 87.0903 83.5317 in (null):V-9999 (27) and CA(234) at 31.054 86.333 85.699 in (null):V-9999 (28) neighbor-bump: 2.93489 Ang CG2(230) at 32.3849 85.584 83.1928 in (null):V-9999 (27) and CA(234) at 31.054 86.333 85.699 in (null):V-9999 (28) neighbor-bump: 2.29148 Ang CG1(229) at 30.4173 87.0903 83.5317 in (null):V-9999 (27) and N(233) at 29.656 86.057 85.43 in (null):V-9999 (28) self-bump: 2.43937 Ang CG1(229) at 30.4173 87.0903 83.5317 in (null):V-9999 (27) and C(232) at 29.159 85.249 84.52 in (null):V-9999 (27) self-bump: 1.32881 Ang CA(227) at 30.107 84.706 83.463 in (null):V-9999 (27) and CB(228) at 30.8614 85.7202 83.0531 in (null):V-9999 (27) other bump:2.13387 Ang CB(4) at 34.77 76.174 82.124 in (null):A-9999 (1) and NH1(222) at 36.059 77.2451 83.4449 in (null):R-9999 (26) other bump:2.65285 Ang CG2(11) at 31.3108 75.7921 76.4455 in (null):I-9999 (2) and CD1(191) at 30.4108 77.2946 78.438 in (null):I-9999 (23) other bump:2.36859 Ang CB(9) at 32.2489 76.0448 77.6198 in (null):I-9999 (2) and CD1(191) at 30.4108 77.2946 78.438 in (null):I-9999 (23) other bump:1.26657 Ang CG1(10) at 31.5458 76.808 78.719 in (null):I-9999 (2) and CD1(191) at 30.4108 77.2946 78.438 in (null):I-9999 (23) other bump:1.39367 Ang CD1(12) at 31.3669 78.3076 78.4836 in (null):I-9999 (2) and CD1(191) at 30.4108 77.2946 78.438 in (null):I-9999 (23) other bump:2.40184 Ang CG1(10) at 31.5458 76.808 78.719 in (null):I-9999 (2) and CG1(189) at 30.4025 78.8226 78.0841 in (null):I-9999 (23) other bump:1.16399 Ang CD1(12) at 31.3669 78.3076 78.4836 in (null):I-9999 (2) and CG1(189) at 30.4025 78.8226 78.0841 in (null):I-9999 (23) other bump:2.62972 Ang CD1(12) at 31.3669 78.3076 78.4836 in (null):I-9999 (2) and CB(188) at 29.4008 79.232 77.002 in (null):I-9999 (23) other bump:2.18493 Ang CG(143) at 39.6114 82.6717 67.7345 in (null):F-9999 (18) and OD1(164) at 38.5536 82.8124 69.6411 in (null):N-9999 (20) other bump:2.53373 Ang CD1(144) at 39.0565 81.4203 67.5847 in (null):F-9999 (18) and OD1(164) at 38.5536 82.8124 69.6411 in (null):N-9999 (20) other bump:1.22564 Ang CD2(145) at 39.3874 83.3379 68.9124 in (null):F-9999 (18) and OD1(164) at 38.5536 82.8124 69.6411 in (null):N-9999 (20) other bump:2.23828 Ang CE1(146) at 38.3238 80.842 68.6044 in (null):F-9999 (18) and OD1(164) at 38.5536 82.8124 69.6411 in (null):N-9999 (20) other bump:0.305316 Ang CE2(147) at 38.6324 82.7694 69.9329 in (null):F-9999 (18) and OD1(164) at 38.5536 82.8124 69.6411 in (null):N-9999 (20) other bump:1.37409 Ang CZ(148) at 38.119 81.5162 69.7786 in (null):F-9999 (18) and OD1(164) at 38.5536 82.8124 69.6411 in (null):N-9999 (20) other bump:1.76871 Ang CD2(145) at 39.3874 83.3379 68.9124 in (null):F-9999 (18) and ND2(163) at 39.5657 84.8097 69.877 in (null):N-9999 (20) other bump:2.24426 Ang CE2(147) at 38.6324 82.7694 69.9329 in (null):F-9999 (18) and ND2(163) at 39.5657 84.8097 69.877 in (null):N-9999 (20) other bump:2.53046 Ang CA(90) at 41.377 84.804 71.644 in (null):P-9999 (13) and ND2(163) at 39.5657 84.8097 69.877 in (null):N-9999 (20) other bump:2.86482 Ang CG(143) at 39.6114 82.6717 67.7345 in (null):F-9999 (18) and CG(162) at 38.5685 83.9597 70.0712 in (null):N-9999 (20) other bump:1.54924 Ang CD2(145) at 39.3874 83.3379 68.9124 in (null):F-9999 (18) and CG(162) at 38.5685 83.9597 70.0712 in (null):N-9999 (20) other bump:1.19996 Ang CE2(147) at 38.6324 82.7694 69.9329 in (null):F-9999 (18) and CG(162) at 38.5685 83.9597 70.0712 in (null):N-9999 (20) other bump:3.03365 Ang CD2(145) at 39.3874 83.3379 68.9124 in (null):F-9999 (18) and CB(161) at 37.3989 84.4456 70.9179 in (null):N-9999 (20) other bump:2.30246 Ang CE2(147) at 38.6324 82.7694 69.9329 in (null):F-9999 (18) and CB(161) at 37.3989 84.4456 70.9179 in (null):N-9999 (20) other bump:3.02475 Ang CE2(147) at 38.6324 82.7694 69.9329 in (null):F-9999 (18) and CA(160) at 36.115 84.437 70.109 in (null):N-9999 (20) neighbor-bump: 2.40702 Ang CA(85) at 42.817 81.38 70.732 in (null):A-9999 (12) and CD(93) at 41.7265 82.5206 72.5496 in (null):P-9999 (13) neighbor-bump: 2.82563 Ang CB(86) at 41.561 80.518 70.563 in (null):A-9999 (12) and CD(93) at 41.7265 82.5206 72.5496 in (null):P-9999 (13) neighbor-bump: 2.10144 Ang C(88) at 42.357 82.817 70.567 in (null):A-9999 (12) and CD(93) at 41.7265 82.5206 72.5496 in (null):P-9999 (13) other bump:2.0974 Ang O(74) at 42.453 82.543 74.517 in (null):E-9999 (10) and CD(93) at 41.7265 82.5206 72.5496 in (null):P-9999 (13) other bump:2.87773 Ang C(75) at 42.777 81.442 75.002 in (null):E-9999 (10) and CD(93) at 41.7265 82.5206 72.5496 in (null):P-9999 (13) neighbor-bump: 2.32902 Ang N(84) at 43.491 81.106 71.993 in (null):A-9999 (12) and CD(93) at 41.7265 82.5206 72.5496 in (null):P-9999 (13) self-bump: 1.3228 Ang N(89) at 41.93 83.465 71.646 in (null):P-9999 (13) and CD(93) at 41.7265 82.5206 72.5496 in (null):P-9999 (13) other bump:2.83393 Ang C(83) at 44.477 81.841 72.487 in (null):D-9999 (11) and CD(93) at 41.7265 82.5206 72.5496 in (null):P-9999 (13) other bump:2.20554 Ang O(74) at 42.453 82.543 74.517 in (null):E-9999 (10) and CG(92) at 40.667 83.1964 73.3999 in (null):P-9999 (13) other bump:3.17748 Ang C(75) at 42.777 81.442 75.002 in (null):E-9999 (10) and CG(92) at 40.667 83.1964 73.3999 in (null):P-9999 (13) self-bump: 2.17797 Ang N(89) at 41.93 83.465 71.646 in (null):P-9999 (13) and CG(92) at 40.667 83.1964 73.3999 in (null):P-9999 (13) other bump:2.64543 Ang CB(24) at 38.5079 74.2679 73.8861 in (null):D-9999 (4) and CE(64) at 40.2399 74.3691 71.8891 in (null):M-9999 (9) other bump:2.73276 Ang CB(24) at 38.5079 74.2679 73.8861 in (null):D-9999 (4) and CG(62) at 40.1054 76.4815 73.7619 in (null):M-9999 (9) other bump:2.46849 Ang CG(25) at 38.3174 75.2972 74.9842 in (null):D-9999 (4) and CG(62) at 40.1054 76.4815 73.7619 in (null):M-9999 (9) other bump:2.46357 Ang OD2(27) at 37.8159 76.4066 74.6683 in (null):D-9999 (4) and CG(62) at 40.1054 76.4815 73.7619 in (null):M-9999 (9) other bump:2.96706 Ang CG(25) at 38.3174 75.2972 74.9842 in (null):D-9999 (4) and CB(61) at 41.1562 76.1371 74.7856 in (null):M-9999 (9) neighbor-bump: 2.04603 Ang O(20) at 36.47 74.43 75.13 in (null):T-9999 (3) and CG(25) at 38.3174 75.2972 74.9842 in (null):D-9999 (4) neighbor-bump: 2.71714 Ang C(21) at 36.579 73.294 75.574 in (null):T-9999 (3) and CG(25) at 38.3174 75.2972 74.9842 in (null):D-9999 (4) neighbor-bump: 2.10488 Ang O(13) at 32.793 72.946 76.555 in (null):I-9999 (2) and CG2(18) at 33.5683 70.999 76.3585 in (null):T-9999 (3) neighbor-bump: 2.82999 Ang C(14) at 33.473 73.671 77.286 in (null):I-9999 (2) and CG2(18) at 33.5683 70.999 76.3585 in (null):T-9999 (3) T0147_twice 383 :EIDVKAVAEAAAKHQ 1ubpC 311 :TIDEHLDMLMVCHHL Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.41566 Ang OE2(66) at 34.7021 66.7823 82.9274 in (null):E-9999 (9) and OE1(108) at 35.3269 65.0489 84.4896 in (null):Q-9999 (15) other bump:2.33142 Ang OE1(65) at 34.1091 66.9542 85.0573 in (null):E-9999 (9) and OE1(108) at 35.3269 65.0489 84.4896 in (null):Q-9999 (15) other bump:2.67595 Ang CD(64) at 34.075 67.3282 83.8587 in (null):E-9999 (9) and OE1(108) at 35.3269 65.0489 84.4896 in (null):Q-9999 (15) other bump:2.25005 Ang OE1(65) at 34.1091 66.9542 85.0573 in (null):E-9999 (9) and CD(107) at 34.4974 64.7493 85.2816 in (null):Q-9999 (15) other bump:2.97553 Ang CD(64) at 34.075 67.3282 83.8587 in (null):E-9999 (9) and CD(107) at 34.4974 64.7493 85.2816 in (null):Q-9999 (15) other bump:0.549159 Ang OE2(66) at 34.7021 66.7823 82.9274 in (null):E-9999 (9) and NZ(90) at 34.6932 67.2448 82.6314 in (null):K-9999 (13) other bump:2.09578 Ang CG(63) at 33.2769 68.5415 83.471 in (null):E-9999 (9) and NZ(90) at 34.6932 67.2448 82.6314 in (null):K-9999 (13) other bump:1.37677 Ang CD(64) at 34.075 67.3282 83.8587 in (null):E-9999 (9) and NZ(90) at 34.6932 67.2448 82.6314 in (null):K-9999 (13) other bump:1.62662 Ang OE2(66) at 34.7021 66.7823 82.9274 in (null):E-9999 (9) and CE(89) at 34.0098 66.5039 81.4821 in (null):K-9999 (13) other bump:2.94019 Ang CG(63) at 33.2769 68.5415 83.471 in (null):E-9999 (9) and CE(89) at 34.0098 66.5039 81.4821 in (null):K-9999 (13) other bump:2.51641 Ang CD(64) at 34.075 67.3282 83.8587 in (null):E-9999 (9) and CE(89) at 34.0098 66.5039 81.4821 in (null):K-9999 (13) other bump:2.66453 Ang OE2(66) at 34.7021 66.7823 82.9274 in (null):E-9999 (9) and CD(88) at 32.6932 67.2513 81.241 in (null):K-9999 (13) other bump:2.64162 Ang CG(63) at 33.2769 68.5415 83.471 in (null):E-9999 (9) and CD(88) at 32.6932 67.2513 81.241 in (null):K-9999 (13) other bump:2.96102 Ang CD(64) at 34.075 67.3282 83.8587 in (null):E-9999 (9) and CD(88) at 32.6932 67.2513 81.241 in (null):K-9999 (13) T0147_twice 412 :KGSE 1ubpC 326 :KQNI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 416 :DNCREVAAAVRDAGGWVALGSDSHTAFTMGE 1ubpC 342 :PETIAAEDILHDLGIISMMSTDALAMGRAGE Fragment has 77 clashes (null) has 77 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:1.53942 Ang OG(160) at 20.1338 77.1186 74.2901 in (null):S-9999 (23) and CE(208) at 20.9584 78.0497 75.1972 in (null):M-9999 (29) other bump:2.2715 Ang N(157) at 22.971 77.008 75.352 in (null):S-9999 (23) and CE(208) at 20.9584 78.0497 75.1972 in (null):M-9999 (29) other bump:1.7374 Ang CA(158) at 21.675 76.619 75.874 in (null):S-9999 (23) and CE(208) at 20.9584 78.0497 75.1972 in (null):M-9999 (29) other bump:0.75252 Ang CB(159) at 20.566 77.5305 75.5749 in (null):S-9999 (23) and CE(208) at 20.9584 78.0497 75.1972 in (null):M-9999 (29) other bump:3.07504 Ang C(162) at 21.466 75.127 76.007 in (null):S-9999 (23) and CE(208) at 20.9584 78.0497 75.1972 in (null):M-9999 (29) other bump:2.43615 Ang CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) and CE(208) at 20.9584 78.0497 75.1972 in (null):M-9999 (29) other bump:2.5038 Ang OG(146) at 22.5337 79.9927 75.0852 in (null):S-9999 (21) and CE(208) at 20.9584 78.0497 75.1972 in (null):M-9999 (29) other bump:1.12217 Ang OG(160) at 20.1338 77.1186 74.2901 in (null):S-9999 (23) and SD(207) at 19.3288 77.7847 74.6994 in (null):M-9999 (29) other bump:2.87112 Ang CA(158) at 21.675 76.619 75.874 in (null):S-9999 (23) and SD(207) at 19.3288 77.7847 74.6994 in (null):M-9999 (29) other bump:1.53684 Ang CB(159) at 20.566 77.5305 75.5749 in (null):S-9999 (23) and SD(207) at 19.3288 77.7847 74.6994 in (null):M-9999 (29) other bump:2.71469 Ang OG(160) at 20.1338 77.1186 74.2901 in (null):S-9999 (23) and CG(206) at 18.3836 77.737 76.2709 in (null):M-9999 (29) other bump:2.78339 Ang CD2(167) at 17.9162 75.0881 76.9868 in (null):H-9999 (24) and CG(206) at 18.3836 77.737 76.2709 in (null):M-9999 (29) other bump:2.29998 Ang CB(159) at 20.566 77.5305 75.5749 in (null):S-9999 (23) and CG(206) at 18.3836 77.737 76.2709 in (null):M-9999 (29) other bump:2.09454 Ang O(155) at 24.141 75.419 76.424 in (null):D-9999 (22) and CZ(193) at 23.7201 76.131 74.4997 in (null):F-9999 (27) other bump:1.314 Ang C(156) at 24.122 76.436 75.713 in (null):D-9999 (22) and CZ(193) at 23.7201 76.131 74.4997 in (null):F-9999 (27) other bump:1.43412 Ang N(157) at 22.971 77.008 75.352 in (null):S-9999 (23) and CZ(193) at 23.7201 76.131 74.4997 in (null):F-9999 (27) other bump:2.51186 Ang CA(158) at 21.675 76.619 75.874 in (null):S-9999 (23) and CZ(193) at 23.7201 76.131 74.4997 in (null):F-9999 (27) other bump:2.89158 Ang C(162) at 21.466 75.127 76.007 in (null):S-9999 (23) and CZ(193) at 23.7201 76.131 74.4997 in (null):F-9999 (27) other bump:2.83782 Ang N(149) at 25.153 78.52 75.041 in (null):D-9999 (22) and CZ(193) at 23.7201 76.131 74.4997 in (null):F-9999 (27) other bump:2.0191 Ang CA(150) at 25.382 77.081 75.142 in (null):D-9999 (22) and CZ(193) at 23.7201 76.131 74.4997 in (null):F-9999 (27) other bump:2.57444 Ang O(155) at 24.141 75.419 76.424 in (null):D-9999 (22) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:1.45317 Ang C(156) at 24.122 76.436 75.713 in (null):D-9999 (22) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:0.609105 Ang N(157) at 22.971 77.008 75.352 in (null):S-9999 (23) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:1.9912 Ang CA(158) at 21.675 76.619 75.874 in (null):S-9999 (23) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:2.79058 Ang CB(159) at 20.566 77.5305 75.5749 in (null):S-9999 (23) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:3.06509 Ang C(162) at 21.466 75.127 76.007 in (null):S-9999 (23) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:2.73446 Ang OG(146) at 22.5337 79.9927 75.0852 in (null):S-9999 (21) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:2.19593 Ang N(149) at 25.153 78.52 75.041 in (null):D-9999 (22) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:2.12214 Ang CA(150) at 25.382 77.081 75.142 in (null):D-9999 (22) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:2.93606 Ang C(148) at 25.14 79.374 76.046 in (null):S-9999 (21) and CE2(192) at 23.2859 77.3661 74.9731 in (null):F-9999 (27) other bump:1.33924 Ang O(155) at 24.141 75.419 76.424 in (null):D-9999 (22) and CE1(191) at 24.6859 75.4218 75.2006 in (null):F-9999 (27) other bump:1.26849 Ang C(156) at 24.122 76.436 75.713 in (null):D-9999 (22) and CE1(191) at 24.6859 75.4218 75.2006 in (null):F-9999 (27) other bump:2.34091 Ang N(157) at 22.971 77.008 75.352 in (null):S-9999 (23) and CE1(191) at 24.6859 75.4218 75.2006 in (null):F-9999 (27) other bump:2.28472 Ang OD1(153) at 26.796 74.696 74.71 in (null):D-9999 (22) and CE1(191) at 24.6859 75.4218 75.2006 in (null):F-9999 (27) other bump:1.80023 Ang CA(150) at 25.382 77.081 75.142 in (null):D-9999 (22) and CE1(191) at 24.6859 75.4218 75.2006 in (null):F-9999 (27) other bump:2.44981 Ang CB(151) at 26.616 76.725 75.961 in (null):D-9999 (22) and CE1(191) at 24.6859 75.4218 75.2006 in (null):F-9999 (27) other bump:2.70628 Ang CG(152) at 27.379 75.525 75.447 in (null):D-9999 (22) and CE1(191) at 24.6859 75.4218 75.2006 in (null):F-9999 (27) other bump:2.50231 Ang O(155) at 24.141 75.419 76.424 in (null):D-9999 (22) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:1.5459 Ang C(156) at 24.122 76.436 75.713 in (null):D-9999 (22) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:1.46244 Ang N(157) at 22.971 77.008 75.352 in (null):S-9999 (23) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:2.50764 Ang CA(158) at 21.675 76.619 75.874 in (null):S-9999 (23) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:2.95401 Ang CA(144) at 24.508 80.744 75.862 in (null):S-9999 (21) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:2.83122 Ang CB(145) at 23.1601 80.6392 76.1796 in (null):S-9999 (21) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:2.27316 Ang O(147) at 25.489 79.043 77.178 in (null):S-9999 (21) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:1.84927 Ang N(149) at 25.153 78.52 75.041 in (null):D-9999 (22) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:2.02831 Ang CA(150) at 25.382 77.081 75.142 in (null):D-9999 (22) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:3.0333 Ang CB(151) at 26.616 76.725 75.961 in (null):D-9999 (22) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:1.99167 Ang C(148) at 25.14 79.374 76.046 in (null):S-9999 (21) and CD2(190) at 23.8205 77.8862 76.1557 in (null):F-9999 (27) other bump:1.19838 Ang O(155) at 24.141 75.419 76.424 in (null):D-9999 (22) and CD1(189) at 25.2155 75.9482 76.3837 in (null):F-9999 (27) other bump:1.3724 Ang C(156) at 24.122 76.436 75.713 in (null):D-9999 (22) and CD1(189) at 25.2155 75.9482 76.3837 in (null):F-9999 (27) other bump:2.68798 Ang N(157) at 22.971 77.008 75.352 in (null):S-9999 (23) and CD1(189) at 25.2155 75.9482 76.3837 in (null):F-9999 (27) other bump:2.62055 Ang OD1(153) at 26.796 74.696 74.71 in (null):D-9999 (22) and CD1(189) at 25.2155 75.9482 76.3837 in (null):F-9999 (27) other bump:2.9019 Ang N(149) at 25.153 78.52 75.041 in (null):D-9999 (22) and CD1(189) at 25.2155 75.9482 76.3837 in (null):F-9999 (27) other bump:1.68904 Ang CA(150) at 25.382 77.081 75.142 in (null):D-9999 (22) and CD1(189) at 25.2155 75.9482 76.3837 in (null):F-9999 (27) other bump:1.65639 Ang CB(151) at 26.616 76.725 75.961 in (null):D-9999 (22) and CD1(189) at 25.2155 75.9482 76.3837 in (null):F-9999 (27) other bump:2.39528 Ang CG(152) at 27.379 75.525 75.447 in (null):D-9999 (22) and CD1(189) at 25.2155 75.9482 76.3837 in (null):F-9999 (27) other bump:1.92829 Ang O(155) at 24.141 75.419 76.424 in (null):D-9999 (22) and CG(188) at 24.7852 77.1813 76.8686 in (null):F-9999 (27) other bump:1.52665 Ang C(156) at 24.122 76.436 75.713 in (null):D-9999 (22) and CG(188) at 24.7852 77.1813 76.8686 in (null):F-9999 (27) other bump:2.37096 Ang N(157) at 22.971 77.008 75.352 in (null):S-9999 (23) and CG(188) at 24.7852 77.1813 76.8686 in (null):F-9999 (27) other bump:2.01422 Ang O(147) at 25.489 79.043 77.178 in (null):S-9999 (21) and CG(188) at 24.7852 77.1813 76.8686 in (null):F-9999 (27) other bump:2.2951 Ang N(149) at 25.153 78.52 75.041 in (null):D-9999 (22) and CG(188) at 24.7852 77.1813 76.8686 in (null):F-9999 (27) other bump:1.82955 Ang CA(150) at 25.382 77.081 75.142 in (null):D-9999 (22) and CG(188) at 24.7852 77.1813 76.8686 in (null):F-9999 (27) other bump:2.09371 Ang CB(151) at 26.616 76.725 75.961 in (null):D-9999 (22) and CG(188) at 24.7852 77.1813 76.8686 in (null):F-9999 (27) other bump:2.36866 Ang C(148) at 25.14 79.374 76.046 in (null):S-9999 (21) and CG(188) at 24.7852 77.1813 76.8686 in (null):F-9999 (27) other bump:3.01027 Ang C(156) at 24.122 76.436 75.713 in (null):D-9999 (22) and CB(187) at 25.3191 77.7244 78.1561 in (null):F-9999 (27) other bump:1.6505 Ang O(147) at 25.489 79.043 77.178 in (null):S-9999 (21) and CB(187) at 25.3191 77.7244 78.1561 in (null):F-9999 (27) other bump:3.08263 Ang CA(150) at 25.382 77.081 75.142 in (null):D-9999 (22) and CB(187) at 25.3191 77.7244 78.1561 in (null):F-9999 (27) other bump:2.73845 Ang CB(151) at 26.616 76.725 75.961 in (null):D-9999 (22) and CB(187) at 25.3191 77.7244 78.1561 in (null):F-9999 (27) other bump:2.68433 Ang C(148) at 25.14 79.374 76.046 in (null):S-9999 (21) and CB(187) at 25.3191 77.7244 78.1561 in (null):F-9999 (27) neighbor-bump: 2.66163 Ang C(162) at 21.466 75.127 76.007 in (null):S-9999 (23) and CB(165) at 19.6348 73.2235 76.335 in (null):H-9999 (24) self-bump: 1.3888 Ang CA(144) at 24.508 80.744 75.862 in (null):S-9999 (21) and CB(145) at 23.1601 80.6392 76.1796 in (null):S-9999 (21) other bump:2.52274 Ang CB(53) at 37.146 84.327 81.158 in (null):A-9999 (7) and CH2(116) at 36.7628 83.6292 78.7642 in (null):W-9999 (16) other bump:2.8935 Ang CB(53) at 37.146 84.327 81.158 in (null):A-9999 (7) and CZ3(115) at 35.6916 84.5203 78.6641 in (null):W-9999 (16) other bump:3.11045 Ang CG1(69) at 39.6834 87.9728 76.8054 in (null):V-9999 (10) and NE1(113) at 38.8042 85.0798 76.0759 in (null):W-9999 (16) other bump:3.07033 Ang NE(78) at 33.0799 86.7255 78.7971 in (null):R-9999 (11) and CE3(112) at 35.7021 85.5388 77.7284 in (null):W-9999 (16) other bump:2.6313 Ang CG1(69) at 39.6834 87.9728 76.8054 in (null):V-9999 (10) and CD1(109) at 38.4202 86.1497 75.3896 in (null):W-9999 (16) other bump:3.03912 Ang CG1(69) at 39.6834 87.9728 76.8054 in (null):V-9999 (10) and CG(108) at 37.1959 86.4826 75.8954 in (null):W-9999 (16) Number of specific fragments= 13 total=758 Number of alignments=66 # 2mnr read from T0147_twice.t2k-2track-undertaker.a2m # found chain 2mnr in template set T0147_twice 7 :H 2mnr 140 :H Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 13 :STHAYSTLSDYIAQAKQKGIKLFAI 2mnr 141 :SLDGVKLATERAVTAAELGFRAVKT Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.8441 Ang OG1(12) at 28.6697 -0.646786 26.0921 in (null):T-9999 (2) and CA(197) at 27.172 1.44 24.871 in (null):G-9999 (26) other bump:2.36551 Ang CD1(59) at 28.3226 1.38002 31.0436 in (null):L-9999 (8) and CD1(193) at 26.4999 2.55041 30.093 in (null):I-9999 (25) other bump:3.15783 Ang CD1(59) at 28.3226 1.38002 31.0436 in (null):L-9999 (8) and CG1(191) at 26.8806 2.88624 28.6721 in (null):I-9999 (25) other bump:2.41818 Ang O(95) at 28.834 12.368 34.191 in (null):I-9999 (12) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:3.27325 Ang C(96) at 29.197 11.229 34.512 in (null):I-9999 (12) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:2.81302 Ang N(116) at 29.229 15.267 33.604 in (null):K-9999 (16) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:2.81512 Ang CA(112) at 31.009 14.58 32.029 in (null):A-9999 (15) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:1.95492 Ang CB(113) at 30.248 13.723 31.028 in (null):A-9999 (15) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:2.95845 Ang C(115) at 30.042 15.603 32.614 in (null):A-9999 (15) and CZ(180) at 28.6086 13.1149 31.9021 in (null):F-9999 (23) other bump:2.72801 Ang O(95) at 28.834 12.368 34.191 in (null):I-9999 (12) and CE2(179) at 27.2405 12.856 32.0312 in (null):F-9999 (23) other bump:2.9172 Ang CA(112) at 31.009 14.58 32.029 in (null):A-9999 (15) and CE1(178) at 29.3339 12.4726 30.9052 in (null):F-9999 (23) other bump:1.55374 Ang CB(113) at 30.248 13.723 31.028 in (null):A-9999 (15) and CE1(178) at 29.3339 12.4726 30.9052 in (null):F-9999 (23) other bump:2.83332 Ang CB(113) at 30.248 13.723 31.028 in (null):A-9999 (15) and CD1(176) at 28.6959 11.5714 30.0334 in (null):F-9999 (23) other bump:2.62821 Ang CG2(151) at 27.5558 16.0265 28.2794 in (null):I-9999 (20) and O(170) at 26.202 13.849 27.702 in (null):L-9999 (22) other bump:2.88227 Ang CB(17) at 32.4408 1.89044 30.4398 in (null):H-9999 (3) and CD2(60) at 29.8574 3.13865 30.165 in (null):L-9999 (8) other bump:3.12861 Ang CB(17) at 32.4408 1.89044 30.4398 in (null):H-9999 (3) and CG(58) at 29.4827 2.29231 31.3757 in (null):L-9999 (8) neighbor-bump: 2.37382 Ang CB(27) at 30.2594 -2.77993 33.4062 in (null):A-9999 (4) and N(30) at 29.292 -1.113 34.792 in (null):Y-9999 (5) self-bump: 2.15509 Ang CB(27) at 30.2594 -2.77993 33.4062 in (null):A-9999 (4) and C(29) at 30.007 -0.671 33.771 in (null):A-9999 (4) self-bump: 1.24199 Ang CA(26) at 30.585 -1.723 32.841 in (null):A-9999 (4) and CB(27) at 30.2594 -2.77993 33.4062 in (null):A-9999 (4) other bump:2.91119 Ang CB(4) at 33.009 2.714 24.962 in (null):S-9999 (1) and NE2(22) at 33.6643 3.86745 27.5534 in (null):H-9999 (3) other bump:2.2079 Ang OG(5) at 34.084 2.492 25.878 in (null):S-9999 (1) and NE2(22) at 33.6643 3.86745 27.5534 in (null):H-9999 (3) other bump:2.25289 Ang OG(5) at 34.084 2.492 25.878 in (null):S-9999 (1) and CE1(21) at 34.7216 3.18438 27.9248 in (null):H-9999 (3) other bump:2.4127 Ang N(2) at 31.808 4.316 26.27 in (null):S-9999 (1) and CD2(19) at 32.6387 3.50027 28.3832 in (null):H-9999 (3) other bump:3.01712 Ang CA(3) at 31.64 3.05 25.572 in (null):S-9999 (1) and CD2(19) at 32.6387 3.50027 28.3832 in (null):H-9999 (3) other bump:3.00622 Ang C(7) at 31.053 1.891 26.4 in (null):S-9999 (1) and CD2(19) at 32.6387 3.50027 28.3832 in (null):H-9999 (3) self-bump: 1.32145 Ang CA(9) at 30.769 -0.478 26.897 in (null):T-9999 (2) and CB(10) at 29.9131 -1.34303 26.3818 in (null):T-9999 (2) T0147_twice 43 :DMEDAPHHWHFINMRIW 2mnr 166 :KIGYPALDQDLAVVRSI Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.27942 Ang ND1(52) at 16.8351 -5.53308 28.8973 in (null):H-9999 (7) and CZ(99) at 15.66 -4.45489 30.5259 in (null):F-9999 (11) other bump:1.21609 Ang CE1(53) at 15.9661 -4.65045 29.3653 in (null):H-9999 (7) and CZ(99) at 15.66 -4.45489 30.5259 in (null):F-9999 (11) other bump:2.61761 Ang CG(50) at 16.8524 -6.6423 29.7225 in (null):H-9999 (7) and CZ(99) at 15.66 -4.45489 30.5259 in (null):F-9999 (11) other bump:1.96549 Ang CD2(51) at 15.9512 -6.39032 30.706 in (null):H-9999 (7) and CZ(99) at 15.66 -4.45489 30.5259 in (null):F-9999 (11) other bump:0.736033 Ang NE2(54) at 15.4165 -5.14647 30.461 in (null):H-9999 (7) and CZ(99) at 15.66 -4.45489 30.5259 in (null):F-9999 (11) other bump:2.69392 Ang ND1(52) at 16.8351 -5.53308 28.8973 in (null):H-9999 (7) and CE2(98) at 16.3062 -3.24582 30.2186 in (null):F-9999 (11) other bump:1.67835 Ang CE1(53) at 15.9661 -4.65045 29.3653 in (null):H-9999 (7) and CE2(98) at 16.3062 -3.24582 30.2186 in (null):F-9999 (11) other bump:2.11252 Ang NE2(54) at 15.4165 -5.14647 30.461 in (null):H-9999 (7) and CE2(98) at 16.3062 -3.24582 30.2186 in (null):F-9999 (11) other bump:3.02114 Ang ND1(52) at 16.8351 -5.53308 28.8973 in (null):H-9999 (7) and CE1(97) at 15.8911 -5.11698 31.7368 in (null):F-9999 (11) other bump:2.41816 Ang CE1(53) at 15.9661 -4.65045 29.3653 in (null):H-9999 (7) and CE1(97) at 15.8911 -5.11698 31.7368 in (null):F-9999 (11) other bump:2.70334 Ang CG(50) at 16.8524 -6.6423 29.7225 in (null):H-9999 (7) and CE1(97) at 15.8911 -5.11698 31.7368 in (null):F-9999 (11) other bump:1.6394 Ang CD2(51) at 15.9512 -6.39032 30.706 in (null):H-9999 (7) and CE1(97) at 15.8911 -5.11698 31.7368 in (null):F-9999 (11) other bump:1.36153 Ang NE2(54) at 15.4165 -5.14647 30.461 in (null):H-9999 (7) and CE1(97) at 15.8911 -5.11698 31.7368 in (null):F-9999 (11) other bump:2.77873 Ang CD2(51) at 15.9512 -6.39032 30.706 in (null):H-9999 (7) and CD1(95) at 16.7786 -4.57559 32.6408 in (null):F-9999 (11) other bump:2.63298 Ang NE2(54) at 15.4165 -5.14647 30.461 in (null):H-9999 (7) and CD1(95) at 16.7786 -4.57559 32.6408 in (null):F-9999 (11) other bump:2.04048 Ang CA(19) at 24.38 -5.093 24.621 in (null):E-9999 (3) and NE2(88) at 23.4489 -4.89747 26.4261 in (null):H-9999 (10) other bump:1.70048 Ang N(18) at 24.343 -3.87 25.408 in (null):E-9999 (3) and NE2(88) at 23.4489 -4.89747 26.4261 in (null):H-9999 (10) other bump:2.39235 Ang C(26) at 25.207 -6.124 25.364 in (null):E-9999 (3) and NE2(88) at 23.4489 -4.89747 26.4261 in (null):H-9999 (10) other bump:2.02291 Ang N(27) at 25.004 -6.169 26.665 in (null):D-9999 (4) and NE2(88) at 23.4489 -4.89747 26.4261 in (null):H-9999 (10) other bump:2.31491 Ang CA(19) at 24.38 -5.093 24.621 in (null):E-9999 (3) and CE1(87) at 23.3062 -3.63889 26.0672 in (null):H-9999 (10) other bump:1.25012 Ang N(18) at 24.343 -3.87 25.408 in (null):E-9999 (3) and CE1(87) at 23.3062 -3.63889 26.0672 in (null):H-9999 (10) other bump:3.20674 Ang C(26) at 25.207 -6.124 25.364 in (null):E-9999 (3) and CE1(87) at 23.3062 -3.63889 26.0672 in (null):H-9999 (10) other bump:2.76237 Ang CA(11) at 25.165 -1.598 25.965 in (null):M-9999 (2) and CE1(87) at 23.3062 -3.63889 26.0672 in (null):H-9999 (10) other bump:2.41607 Ang CB(12) at 23.5036 -1.2503 25.762 in (null):M-9999 (2) and CE1(87) at 23.3062 -3.63889 26.0672 in (null):H-9999 (10) other bump:2.19742 Ang C(17) at 25.066 -2.81 25.045 in (null):M-9999 (2) and CE1(87) at 23.3062 -3.63889 26.0672 in (null):H-9999 (10) other bump:2.53364 Ang N(18) at 24.343 -3.87 25.408 in (null):E-9999 (3) and ND1(86) at 22.5615 -3.00945 26.9908 in (null):H-9999 (10) other bump:3.13408 Ang CA(11) at 25.165 -1.598 25.965 in (null):M-9999 (2) and ND1(86) at 22.5615 -3.00945 26.9908 in (null):H-9999 (10) other bump:2.34349 Ang CB(12) at 23.5036 -1.2503 25.762 in (null):M-9999 (2) and ND1(86) at 22.5615 -3.00945 26.9908 in (null):H-9999 (10) other bump:3.17776 Ang C(17) at 25.066 -2.81 25.045 in (null):M-9999 (2) and ND1(86) at 22.5615 -3.00945 26.9908 in (null):H-9999 (10) other bump:2.64036 Ang N(27) at 25.004 -6.169 26.665 in (null):D-9999 (4) and CD2(85) at 22.7927 -5.09797 27.6318 in (null):H-9999 (10) neighbor-bump: 2.83852 Ang CB(37) at 25.834 -11.877 28.362 in (null):A-9999 (5) and CD(44) at 24.1754 -10.6892 30.3357 in (null):P-9999 (6) T0147_twice 60 :PRVVDGVGILR 2mnr 184 :QAVGDDFGIMV Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.17314 Ang CG2(61) at 21.815 6.868 29.681 in (null):I-9999 (9) and NH2(81) at 22.2747 5.18848 30.9812 in (null):R-9999 (11) other bump:1.74546 Ang CG2(61) at 21.815 6.868 29.681 in (null):I-9999 (9) and NH1(80) at 22.9878 5.84001 28.8971 in (null):R-9999 (11) other bump:2.07353 Ang CG2(61) at 21.815 6.868 29.681 in (null):I-9999 (9) and CZ(79) at 22.4891 4.9072 29.6993 in (null):R-9999 (11) other bump:2.60926 Ang CG2(24) at 22.892 10.999 35.303 in (null):V-9999 (3) and CG1(49) at 21.1105 12.164 33.794 in (null):V-9999 (7) neighbor-bump: 2.44589 Ang O(25) at 21.965 13.947 37.292 in (null):V-9999 (3) and CG2(31) at 21.0635 14.741 39.4225 in (null):V-9999 (4) neighbor-bump: 2.83019 Ang C(26) at 22.147 12.79 37.682 in (null):V-9999 (3) and CG2(31) at 21.0635 14.741 39.4225 in (null):V-9999 (4) neighbor-bump: 2.14855 Ang O(25) at 21.965 13.947 37.292 in (null):V-9999 (3) and CB(29) at 20.1093 14.3022 38.3149 in (null):V-9999 (4) neighbor-bump: 2.61527 Ang C(26) at 22.147 12.79 37.682 in (null):V-9999 (3) and CB(29) at 20.1093 14.3022 38.3149 in (null):V-9999 (4) T0147_twice 77 :K 2mnr 196 :Y Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 80 :D 2mnr 197 :N Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 106 :APHDKATNTQAM 2mnr 198 :QSLDVPAAIKRS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.06704 Ang CG(56) at 16.3451 -3.4784 19.0835 in (null):N-9999 (8) and SD(86) at 14.7575 -1.02527 20.0152 in (null):M-9999 (12) other bump:2.55523 Ang ND2(57) at 15.6101 -2.72622 18.3097 in (null):N-9999 (8) and SD(86) at 14.7575 -1.02527 20.0152 in (null):M-9999 (12) other bump:3.16666 Ang OD1(58) at 17.2143 -3.01294 19.8128 in (null):N-9999 (8) and SD(86) at 14.7575 -1.02527 20.0152 in (null):M-9999 (12) other bump:2.41501 Ang C(1) at 25.68 -2.414 17.17 in (null):G-9999 (0) and CD(11) at 24.3375 -3.90419 18.5151 in (null):P-9999 (2) neighbor-bump: 2.27997 Ang N(2) at 24.417 -2.497 16.723 in (null):A-9999 (1) and CD(11) at 24.3375 -3.90419 18.5151 in (null):P-9999 (2) T0147_twice 119 :ATIASGNVHIISHPGNPK 2mnr 210 :QALQQEGVTWIEEPTLQH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:3.1861 Ang CG2(18) at 16.8109 1.81964 27.4152 in (null):I-9999 (3) and CG1(48) at 17.729 4.66 28.529 in (null):V-9999 (8) T0147_twice 140 :DVKAVAEAAAKHQVALEINNSS 2mnr 228 :DYEGHQRIQSKLNVPVQMGENW Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.26129 Ang O(130) at 20.873 7.628 12.28 in (null):I-9999 (18) and CG(135) at 20.6278 8.21503 10.11 in (null):N-9999 (19) neighbor-bump: 2.65085 Ang CG2(128) at 20.4016 4.13597 11.1349 in (null):I-9999 (18) and N(132) at 22.222 6.028 11.5 in (null):N-9999 (19) other bump:2.0591 Ang CG1(34) at 15.4865 1.38159 12.6126 in (null):V-9999 (5) and CD2(112) at 15.065 2.01454 14.5261 in (null):L-9999 (16) self-bump: 1.379 Ang CA(87) at 7.591 5.367 22.082 in (null):Q-9999 (13) and CB(88) at 6.90836 5.93663 23.1361 in (null):Q-9999 (13) other bump:2.50867 Ang O(55) at 10.248 -0.762 17.526 in (null):A-9999 (8) and ND1(81) at 10.9612 -0.217954 19.8688 in (null):H-9999 (12) other bump:2.72007 Ang CG(5) at 16.929 -5.612 8.788 in (null):D-9999 (1) and CB(28) at 15.2572 -5.27734 10.9074 in (null):A-9999 (4) other bump:2.26338 Ang OD2(7) at 16.745 -6.446 9.665 in (null):D-9999 (1) and CB(28) at 15.2572 -5.27734 10.9074 in (null):A-9999 (4) T0147_twice 172 :NCREVAAAVRDAGGWVALGSDSHTAFTMGEFEECLKILDAVDFPP 2mnr 250 :LGPEEMFKALSIGACRLAMPDAMKIGGVTGWIRASALAQQFGIPM Fragment has 127 clashes (null) has 127 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.44929 Ang O(321) at 15.696 15.581 11.338 in (null):F-9999 (43) and CD(334) at 17.6676 16.6814 12.2871 in (null):P-9999 (45) other bump:3.1334 Ang CB(278) at 17.2155 15.4561 8.14952 in (null):L-9999 (38) and CG(333) at 18.2345 16.0321 11.0561 in (null):P-9999 (45) other bump:2.7259 Ang CD1(280) at 19.381 14.5968 9.04213 in (null):L-9999 (38) and CG(333) at 18.2345 16.0321 11.0561 in (null):P-9999 (45) other bump:2.68855 Ang CD1(280) at 19.381 14.5968 9.04213 in (null):L-9999 (38) and CB(332) at 19.6719 15.8248 11.4161 in (null):P-9999 (45) other bump:0.450785 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:2.67605 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:1.59455 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:2.35041 Ang NH1(72) at 12.7862 8.40231 9.53849 in (null):R-9999 (10) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:2.68684 Ang CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) and CZ(320) at 11.3075 10.193 9.17605 in (null):F-9999 (43) other bump:1.08733 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:2.67931 Ang O(302) at 10.263 13.292 8.646 in (null):V-9999 (41) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:2.24729 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:1.90328 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:3.14375 Ang NH1(72) at 12.7862 8.40231 9.53849 in (null):R-9999 (10) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:2.7609 Ang CB(299) at 12.3768 12.8691 6.24259 in (null):V-9999 (41) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:1.38757 Ang CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) and CE2(319) at 11.8851 11.1776 8.36854 in (null):F-9999 (43) other bump:1.67204 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:3.10822 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:1.97591 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:2.18539 Ang NH1(72) at 12.7862 8.40231 9.53849 in (null):R-9999 (10) and CE1(318) at 11.7275 10.0581 10.4943 in (null):F-9999 (43) other bump:2.19035 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:3.15886 Ang C(303) at 10.765 14.161 7.93 in (null):V-9999 (41) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.34621 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.47028 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.82239 Ang CB(299) at 12.3768 12.8691 6.24259 in (null):V-9999 (41) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:1.93065 Ang CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) and CD2(317) at 12.8785 12.0168 8.88602 in (null):F-9999 (43) other bump:2.53656 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CD1(316) at 12.7241 10.9062 11.0109 in (null):F-9999 (43) other bump:3.18252 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CD1(316) at 12.7241 10.9062 11.0109 in (null):F-9999 (43) other bump:2.53225 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CD1(316) at 12.7241 10.9062 11.0109 in (null):F-9999 (43) other bump:2.85187 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CG(315) at 13.3051 11.892 10.2124 in (null):F-9999 (43) other bump:2.43687 Ang CD1(127) at 16.4515 11.6082 10.5036 in (null):L-9999 (18) and CB(314) at 14.352 12.8156 10.7729 in (null):F-9999 (43) other bump:2.31066 Ang NH2(73) at 11.6009 10.2384 8.83685 in (null):R-9999 (10) and CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) other bump:2.48421 Ang NE(70) at 13.7708 9.97427 8.1536 in (null):R-9999 (10) and CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) other bump:2.771 Ang CZ(71) at 12.735 9.55076 8.87199 in (null):R-9999 (10) and CG1(300) at 12.2417 11.6279 7.10541 in (null):V-9999 (41) other bump:2.49651 Ang CD2(128) at 17.9791 10.5879 8.69345 in (null):L-9999 (18) and CD2(281) at 17.4722 13.0324 8.6824 in (null):L-9999 (38) other bump:2.82535 Ang CG(126) at 17.6546 10.6557 10.1993 in (null):L-9999 (18) and CD2(281) at 17.4722 13.0324 8.6824 in (null):L-9999 (38) other bump:2.52725 Ang CD1(127) at 16.4515 11.6082 10.5036 in (null):L-9999 (18) and CD2(281) at 17.4722 13.0324 8.6824 in (null):L-9999 (38) other bump:2.71054 Ang CE1(222) at 25.2172 19.367 8.2478 in (null):F-9999 (31) and CD1(255) at 23.0741 20.3908 6.94164 in (null):L-9999 (35) other bump:2.90866 Ang CG(19) at 23.1833 13.093 1.14526 in (null):R-9999 (3) and SG(248) at 23.6533 13.229 4.01247 in (null):C-9999 (34) other bump:3.02584 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and N(245) at 21.997 15.559 2.796 in (null):C-9999 (34) other bump:2.68811 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and N(245) at 21.997 15.559 2.796 in (null):C-9999 (34) other bump:3.14841 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:2.25998 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:2.83441 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:2.90527 Ang NH2(24) at 20.1942 16.1129 -0.766164 in (null):R-9999 (3) and C(244) at 21.316 16.289 1.908 in (null):E-9999 (33) other bump:1.70214 Ang NH1(23) at 22.1352 15.8748 -1.95309 in (null):R-9999 (3) and OE1(241) at 23.0652 14.8832 -2.97729 in (null):E-9999 (33) other bump:3.09313 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CD(240) at 23.7611 15.7409 -2.42038 in (null):E-9999 (33) other bump:2.81585 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and CD(240) at 23.7611 15.7409 -2.42038 in (null):E-9999 (33) other bump:1.69702 Ang NH1(23) at 22.1352 15.8748 -1.95309 in (null):R-9999 (3) and CD(240) at 23.7611 15.7409 -2.42038 in (null):E-9999 (33) other bump:2.90308 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CG(239) at 23.0768 16.693 -1.43415 in (null):E-9999 (33) other bump:2.64175 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and CG(239) at 23.0768 16.693 -1.43415 in (null):E-9999 (33) other bump:1.85235 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:1.33339 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:1.41084 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:1.85121 Ang NH1(23) at 22.1352 15.8748 -1.95309 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:2.47342 Ang NH2(24) at 20.1942 16.1129 -0.766164 in (null):R-9999 (3) and CB(238) at 22.5932 16.0471 -0.167744 in (null):E-9999 (33) other bump:2.97129 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.17305 Ang NE(21) at 21.9031 14.9596 0.177252 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.2383 Ang CZ(22) at 21.4266 15.6406 -0.849038 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.57434 Ang NH2(24) at 20.1942 16.1129 -0.766164 in (null):R-9999 (3) and CA(237) at 22.02 17.04 0.794 in (null):E-9999 (33) other bump:2.73099 Ang CD(20) at 23.222 14.3682 0.298564 in (null):R-9999 (3) and O(214) at 24.737 15.339 2.353 in (null):E-9999 (30) other bump:2.35817 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and OE1(212) at 26.0994 12.6538 -0.806096 in (null):E-9999 (30) other bump:2.64099 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and CD(211) at 27.291 12.9998 -0.925587 in (null):E-9999 (30) other bump:2.11907 Ang CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) and CD(211) at 27.291 12.9998 -0.925587 in (null):E-9999 (30) other bump:2.25343 Ang CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) and CD(211) at 27.291 12.9998 -0.925587 in (null):E-9999 (30) other bump:2.57025 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:2.32792 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:0.868925 Ang CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:1.88605 Ang CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:3.08367 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:3.09853 Ang N(177) at 29.449 11.619 2.747 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:2.26225 Ang CA(178) at 29.915 12.315 1.537 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:2.87699 Ang C(187) at 30.529 13.696 1.811 in (null):F-9999 (26) and CG(210) at 28.1529 13.0496 0.32327 in (null):E-9999 (30) other bump:3.07746 Ang CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.00986 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.09712 Ang CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.97562 Ang CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.80852 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:3.17191 Ang N(177) at 29.449 11.619 2.747 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:2.84902 Ang CA(178) at 29.915 12.315 1.537 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) other bump:3.10154 Ang C(187) at 30.529 13.696 1.811 in (null):F-9999 (26) and CB(209) at 27.4441 13.7326 1.49235 in (null):E-9999 (30) neighbor-bump: 2.25271 Ang CG2(191) at 32.8442 16.9816 4.40693 in (null):T-9999 (27) and N(195) at 31.027 17.617 3.237 in (null):M-9999 (28) self-bump: 1.26808 Ang CA(189) at 31.623 15.221 3.362 in (null):T-9999 (27) and CB(190) at 32.7677 15.7333 3.54966 in (null):T-9999 (27) other bump:1.78768 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:0.654383 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:2.41753 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:3.24603 Ang C(9) at 26.52 6.45 1.751 in (null):N-9999 (1) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:2.68585 Ang N(10) at 26.554 7.761 1.949 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:3.06385 Ang C(15) at 24.5 9.043 1.333 in (null):C-9999 (2) and CZ(185) at 26.9086 8.72314 -0.533403 in (null):F-9999 (26) other bump:1.26702 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:1.41753 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:3.062 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:2.39883 Ang N(16) at 23.949 10.173 0.868 in (null):R-9999 (3) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:2.59183 Ang N(10) at 26.554 7.761 1.949 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:2.12662 Ang C(15) at 24.5 9.043 1.333 in (null):C-9999 (2) and CE2(184) at 26.2083 9.67401 0.234809 in (null):F-9999 (26) other bump:3.01394 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CE1(183) at 28.1864 9.00726 -1.03109 in (null):F-9999 (26) other bump:2.03022 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CE1(183) at 28.1864 9.00726 -1.03109 in (null):F-9999 (26) other bump:2.37967 Ang CA(11) at 25.974 8.684 0.99 in (null):C-9999 (2) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) other bump:2.67608 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) other bump:3.04698 Ang C(15) at 24.5 9.043 1.333 in (null):C-9999 (2) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) neighbor-bump: 1.8901 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) neighbor-bump: 2.78022 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CD2(182) at 26.8136 10.8686 0.559199 in (null):F-9999 (26) neighbor-bump: 2.24244 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) neighbor-bump: 2.83737 Ang C(176) at 28.125 11.428 2.946 in (null):A-9999 (25) and CG(180) at 28.1007 11.1752 0.12002 in (null):F-9999 (26) neighbor-bump: 2.29488 Ang O(175) at 27.305 11.826 2.113 in (null):A-9999 (25) and CB(179) at 28.7845 12.4746 0.483022 in (null):F-9999 (26) other bump:3.15089 Ang C(1) at 25.949 5.907 4.89 in (null):G-9999 (0) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:2.5135 Ang O(0) at 26.608 6.901 5.246 in (null):G-9999 (0) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:2.50608 Ang CG(5) at 29.1787 4.56451 3.73539 in (null):N-9999 (1) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:1.32318 Ang OD1(7) at 29.0303 5.18587 4.78433 in (null):N-9999 (1) and CG2(168) at 29.0011 6.22224 5.60644 in (null):T-9999 (24) other bump:2.72047 Ang OD1(7) at 29.0303 5.18587 4.78433 in (null):N-9999 (1) and CB(167) at 29.7948 7.31666 6.29306 in (null):T-9999 (24) other bump:2.05386 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and C(122) at 17.239 9.98 13.622 in (null):A-9999 (17) other bump:2.08624 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and C(122) at 17.239 9.98 13.622 in (null):A-9999 (17) other bump:2.32209 Ang CG(100) at 16.256 6.70846 13.4369 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:1.0396 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:2.81768 Ang CE2(103) at 17.3328 7.02244 15.4257 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:1.6066 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and O(121) at 17.259 8.793 13.235 in (null):A-9999 (17) other bump:2.60224 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and CB(120) at 16.813 10.419 16.038 in (null):A-9999 (17) other bump:2.68958 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and CA(119) at 16.191 10.446 14.607 in (null):A-9999 (17) other bump:2.48401 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and CA(119) at 16.191 10.446 14.607 in (null):A-9999 (17) other bump:2.38667 Ang CD1(101) at 16.648 8.01423 13.5527 in (null):W-9999 (15) and N(118) at 15.051 9.528 14.477 in (null):A-9999 (17) other bump:2.59638 Ang NE1(105) at 17.2763 8.21522 14.734 in (null):W-9999 (15) and N(118) at 15.051 9.528 14.477 in (null):A-9999 (17) other bump:2.06559 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and OE2(33) at 25.247 6.882 -3.029 in (null):E-9999 (4) other bump:2.67092 Ang CB(12) at 26.3218 8.44316 -0.459085 in (null):C-9999 (2) and OE1(32) at 24.288 8.613 -2.182 in (null):E-9999 (4) other bump:2.20826 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and OE1(32) at 24.288 8.613 -2.182 in (null):E-9999 (4) other bump:1.88677 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CD(31) at 24.261 7.43 -2.533 in (null):E-9999 (4) other bump:2.68306 Ang SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) and CG(30) at 22.987 6.593 -2.362 in (null):E-9999 (4) neighbor-bump: 2.20895 Ang O(8) at 25.951 5.915 0.799 in (null):N-9999 (1) and SG(13) at 25.2378 7.03106 -0.96882 in (null):C-9999 (2) Number of specific fragments= 10 total=768 Number of alignments=67 # 4ubpC read from T0147_twice.t2k-2track-undertaker.a2m # found chain 4ubpC in template set T0147_twice 3 :PVDLHMHTVAST 4ubpC 133 :GIDTHVHFINPD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0147_twice 23 :YIAQAKQKGIKLF 4ubpC 145 :QVDVALANGITTL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.98693 Ang CB(38) at 15.772 82.186 73.468 in (null):A-9999 (5) and CZ(105) at 16.7172 81.7065 71.7873 in (null):F-9999 (13) other bump:2.94631 Ang CB(38) at 15.772 82.186 73.468 in (null):A-9999 (5) and CE2(104) at 17.891 80.9996 71.7998 in (null):F-9999 (13) other bump:2.89159 Ang CB(38) at 15.772 82.186 73.468 in (null):A-9999 (5) and CE1(103) at 16.0322 81.9302 70.5995 in (null):F-9999 (13) T0147_twice 42 :PDMEDAPHH 4ubpC 161 :GTGPAEGSK Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.71965 Ang C(33) at 17.558 63.946 72.427 in (null):E-9999 (4) and NE2(71) at 18.3396 65.5611 74.4708 in (null):H-9999 (9) other bump:2.23853 Ang CA(26) at 16.907 65.279 72.774 in (null):E-9999 (4) and NE2(71) at 18.3396 65.5611 74.4708 in (null):H-9999 (9) other bump:2.75842 Ang CB(27) at 15.6462 65.3832 73.9024 in (null):E-9999 (4) and NE2(71) at 18.3396 65.5611 74.4708 in (null):H-9999 (9) other bump:2.75785 Ang C(33) at 17.558 63.946 72.427 in (null):E-9999 (4) and CD2(68) at 19.4916 65.4381 73.7078 in (null):H-9999 (9) other bump:2.75272 Ang CA(26) at 16.907 65.279 72.774 in (null):E-9999 (4) and CD2(68) at 19.4916 65.4381 73.7078 in (null):H-9999 (9) other bump:2.32393 Ang CB(11) at 17.6664 66.0037 65.4831 in (null):D-9999 (2) and NE2(61) at 19.8831 65.6156 66.0629 in (null):H-9999 (8) other bump:2.6799 Ang N(9) at 18.385 67.912 66.745 in (null):D-9999 (2) and CE1(60) at 20.5479 66.7045 65.7224 in (null):H-9999 (8) other bump:2.97518 Ang CB(11) at 17.6664 66.0037 65.4831 in (null):D-9999 (2) and CE1(60) at 20.5479 66.7045 65.7224 in (null):H-9999 (8) other bump:3.06496 Ang C(8) at 18.749 69.114 66.316 in (null):P-9999 (1) and CE1(60) at 20.5479 66.7045 65.7224 in (null):H-9999 (8) other bump:3.08775 Ang CA(3) at 20.093 69.544 66.847 in (null):P-9999 (1) and CE1(60) at 20.5479 66.7045 65.7224 in (null):H-9999 (8) other bump:2.5784 Ang N(9) at 18.385 67.912 66.745 in (null):D-9999 (2) and ND1(59) at 20.898 67.3407 66.8267 in (null):H-9999 (8) other bump:2.8326 Ang C(8) at 18.749 69.114 66.316 in (null):P-9999 (1) and ND1(59) at 20.898 67.3407 66.8267 in (null):H-9999 (8) other bump:2.34587 Ang CA(3) at 20.093 69.544 66.847 in (null):P-9999 (1) and ND1(59) at 20.898 67.3407 66.8267 in (null):H-9999 (8) other bump:2.83999 Ang N(9) at 18.385 67.912 66.745 in (null):D-9999 (2) and CD2(58) at 19.8035 65.5496 67.4324 in (null):H-9999 (8) other bump:2.92801 Ang CB(11) at 17.6664 66.0037 65.4831 in (null):D-9999 (2) and CD2(58) at 19.8035 65.5496 67.4324 in (null):H-9999 (8) other bump:3.00071 Ang CB(36) at 19.2444 63.2317 69.2542 in (null):D-9999 (5) and CD2(58) at 19.8035 65.5496 67.4324 in (null):H-9999 (8) other bump:2.69167 Ang N(9) at 18.385 67.912 66.745 in (null):D-9999 (2) and CG(57) at 20.4434 66.6378 67.9217 in (null):H-9999 (8) other bump:3.11827 Ang CA(3) at 20.093 69.544 66.847 in (null):P-9999 (1) and CG(57) at 20.4434 66.6378 67.9217 in (null):H-9999 (8) other bump:2.64726 Ang CG(37) at 20.2238 62.2804 68.5606 in (null):D-9999 (5) and CD(51) at 22.7359 61.9632 69.333 in (null):P-9999 (7) other bump:2.02929 Ang OD1(38) at 20.7971 61.377 69.2096 in (null):D-9999 (5) and CD(51) at 22.7359 61.9632 69.333 in (null):P-9999 (7) neighbor-bump: 2.6971 Ang SD(21) at 13.0138 65.3546 70.9482 in (null):M-9999 (3) and OE1(30) at 14.0375 67.1927 72.6358 in (null):E-9999 (4) neighbor-bump: 2.24606 Ang CG(20) at 14.641 64.8682 70.3424 in (null):M-9999 (3) and N(25) at 16.122 65.867 71.704 in (null):E-9999 (4) neighbor-bump: 2.05475 Ang O(15) at 15.178 66.354 67.237 in (null):D-9999 (2) and CB(19) at 15.0922 65.7676 69.2044 in (null):M-9999 (3) neighbor-bump: 2.41372 Ang C(16) at 16.184 67.015 67.45 in (null):D-9999 (2) and CB(19) at 15.0922 65.7676 69.2044 in (null):M-9999 (3) neighbor-bump: 1.34282 Ang O(0) at 21.475 71.814 67.783 in (null):G-9999 (0) and CD(6) at 20.6718 71.9198 66.7121 in (null):P-9999 (1) neighbor-bump: 0.683236 Ang C(1) at 21.286 71.648 66.587 in (null):G-9999 (0) and CD(6) at 20.6718 71.9198 66.7121 in (null):P-9999 (1) neighbor-bump: 1.82031 Ang O(0) at 21.475 71.814 67.783 in (null):G-9999 (0) and CG(5) at 19.6584 71.7017 67.8117 in (null):P-9999 (1) neighbor-bump: 2.0376 Ang C(1) at 21.286 71.648 66.587 in (null):G-9999 (0) and CG(5) at 19.6584 71.7017 67.8117 in (null):P-9999 (1) neighbor-bump: 2.23959 Ang O(0) at 21.475 71.814 67.783 in (null):G-9999 (0) and CB(4) at 19.9009 70.2781 68.2062 in (null):P-9999 (1) neighbor-bump: 2.53315 Ang C(1) at 21.286 71.648 66.587 in (null):G-9999 (0) and CB(4) at 19.9009 70.2781 68.2062 in (null):P-9999 (1) T0147_twice 52 :HFINMRIWPRVVDGVGILRG 4ubpC 176 :GPWNIEKMLKSTEGLPINVG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.81999 Ang C(79) at 14.279 72.015 60.399 in (null):W-9999 (8) and NH1(158) at 15.3669 73.837 62.2562 in (null):R-9999 (19) other bump:2.85866 Ang CA(88) at 10.429 72.179 58.341 in (null):R-9999 (10) and OD2(117) at 8.96882 74.583 57.8305 in (null):D-9999 (13) other bump:2.87429 Ang C(86) at 12.549 73.386 58.426 in (null):P-9999 (9) and CG1(108) at 12.7545 75.8908 59.8207 in (null):V-9999 (12) other bump:2.10869 Ang O(85) at 11.911 74.447 58.536 in (null):P-9999 (9) and CG1(108) at 12.7545 75.8908 59.8207 in (null):V-9999 (12) other bump:3.00507 Ang C(57) at 14.282 69.086 56.904 in (null):R-9999 (6) and CD(84) at 15.5364 71.4147 58.3302 in (null):P-9999 (9) other bump:1.39271 Ang O(45) at 16.561 70.589 57.874 in (null):M-9999 (5) and CD(84) at 15.5364 71.4147 58.3302 in (null):P-9999 (9) other bump:2.5832 Ang C(46) at 17.176 69.63 57.436 in (null):M-9999 (5) and CD(84) at 15.5364 71.4147 58.3302 in (null):P-9999 (9) other bump:2.03023 Ang O(45) at 16.561 70.589 57.874 in (null):M-9999 (5) and CG(83) at 15.905 72.4023 57.2388 in (null):P-9999 (9) other bump:3.05614 Ang C(46) at 17.176 69.63 57.436 in (null):M-9999 (5) and CG(83) at 15.905 72.4023 57.2388 in (null):P-9999 (9) other bump:2.59448 Ang O(37) at 16.891 67.936 59.818 in (null):N-9999 (4) and CD1(70) at 17.1494 68.5397 62.328 in (null):W-9999 (8) other bump:2.90785 Ang CG1(26) at 17.3367 62.3491 54.4609 in (null):I-9999 (3) and NH2(55) at 16.2375 63.9987 52.3334 in (null):R-9999 (6) T0147_twice 128 :IISHPGNPK 4ubpC 196 :ILGKGHGSS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.82216 Ang ND2(49) at 34.339 65.716 54.5878 in (null):N-9999 (7) and O(67) at 34.185 64.958 52.938 in (null):K-9999 (9) other bump:3.11152 Ang CD2(28) at 30.188 65.4656 61.1269 in (null):H-9999 (4) and CA(42) at 33.073 66.084 60.139 in (null):G-9999 (6) neighbor-bump: 1.94615 Ang C(33) at 29.419 68.509 60.297 in (null):H-9999 (4) and CD(38) at 29.6499 69.4957 61.9585 in (null):P-9999 (5) neighbor-bump: 2.20388 Ang CA(25) at 28.148 68.163 61.05 in (null):H-9999 (4) and CD(38) at 29.6499 69.4957 61.9585 in (null):P-9999 (5) self-bump: 1.29994 Ang N(34) at 30.371 69.155 60.932 in (null):P-9999 (5) and CD(38) at 29.6499 69.4957 61.9585 in (null):P-9999 (5) self-bump: 2.07266 Ang N(34) at 30.371 69.155 60.932 in (null):P-9999 (5) and CG(37) at 30.8054 70.0072 62.7707 in (null):P-9999 (5) self-bump: 2.15769 Ang N(34) at 30.371 69.155 60.932 in (null):P-9999 (5) and CB(36) at 31.7989 70.5292 61.7856 in (null):P-9999 (5) T0147_twice 141 :VKAVAEAAAKHQVA 4ubpC 205 :IAPIMEQIDAGAAG Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.34423 Ang CB(96) at 28.2711 77.2536 58.7032 in (null):A-9999 (14) and N(99) at 28.619 75.137 59.649 in (null):G-9999 (15) self-bump: 2.14478 Ang CB(96) at 28.2711 77.2536 58.7032 in (null):A-9999 (14) and C(98) at 27.462 75.293 59.022 in (null):A-9999 (14) self-bump: 1.23108 Ang CA(95) at 27.169 76.717 58.589 in (null):A-9999 (14) and CB(96) at 28.2711 77.2536 58.7032 in (null):A-9999 (14) other bump:2.75041 Ang CA(45) at 24.612 69.372 54.154 in (null):A-9999 (7) and NE2(84) at 24.7137 70.1041 56.8032 in (null):Q-9999 (12) other bump:1.69636 Ang CB(46) at 25.342 69.269 55.467 in (null):A-9999 (7) and NE2(84) at 24.7137 70.1041 56.8032 in (null):Q-9999 (12) other bump:3.00805 Ang CB(46) at 25.342 69.269 55.467 in (null):A-9999 (7) and CD(82) at 24.1913 70.9465 57.6829 in (null):Q-9999 (12) neighbor-bump: 2.82267 Ang C(67) at 19.873 71.923 52.502 in (null):K-9999 (10) and CD2(72) at 18.1523 73.7208 51.1699 in (null):H-9999 (11) neighbor-bump: 2.53506 Ang O(66) at 18.663 71.807 52.752 in (null):K-9999 (10) and CD2(72) at 18.1523 73.7208 51.1699 in (null):H-9999 (11) neighbor-bump: 2.38751 Ang O(66) at 18.663 71.807 52.752 in (null):K-9999 (10) and CG(71) at 17.7781 74.0024 52.4402 in (null):H-9999 (11) T0147_twice 158 :NNSS 4ubpC 222 :HEDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 167 :KGSEDNCREVAAAVRDAGGWVALGSDSHTAFTM 4ubpC 226 :GATPASIDRSLTVADEADVQVAIHSDTLNEAGF Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.72299 Ang OE2(27) at 45.8486 67.0535 64.8663 in (null):E-9999 (4) and CB(226) at 46.873 67.9659 67.2185 in (null):T-9999 (32) other bump:2.94936 Ang CD2(164) at 37.7761 73.8728 67.7871 in (null):L-9999 (23) and CB(173) at 39.41 72.395 69.748 in (null):S-9999 (25) other bump:3.15589 Ang CD2(164) at 37.7761 73.8728 67.7871 in (null):L-9999 (23) and CA(172) at 38.239 71.405 69.699 in (null):S-9999 (25) neighbor-bump: 3.08383 Ang NE1(141) at 32.4758 80.4341 63.0326 in (null):W-9999 (20) and C(153) at 32.707 77.441 62.327 in (null):V-9999 (21) neighbor-bump: 2.63343 Ang CD1(137) at 32.1266 80.4196 61.7087 in (null):W-9999 (20) and O(152) at 33.484 78.36 62.631 in (null):V-9999 (21) neighbor-bump: 2.34089 Ang NE1(141) at 32.4758 80.4341 63.0326 in (null):W-9999 (20) and O(152) at 33.484 78.36 62.631 in (null):V-9999 (21) other bump:2.24097 Ang CG2(98) at 32.8262 76.0788 56.6371 in (null):V-9999 (14) and CG2(151) at 33.485 76.06 58.779 in (null):V-9999 (21) neighbor-bump: 2.64135 Ang CD1(137) at 32.1266 80.4196 61.7087 in (null):W-9999 (20) and N(147) at 32.111 78.296 60.138 in (null):V-9999 (21) other bump:2.11649 Ang CG1(97) at 33.2674 78.4672 56.0402 in (null):V-9999 (14) and O(131) at 31.574 79.688 56.389 in (null):G-9999 (19) T0147_twice 216 :PERILNVSPRRLLNFLESRG 4ubpC 259 :LEDTLRAINGRVIHSFHVEG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:3.12054 Ang CD1(123) at 37.3864 78.7114 71.125 in (null):F-9999 (15) and CA(148) at 36.884 79.8 74.006 in (null):S-9999 (18) other bump:3.00316 Ang CE1(125) at 37.9506 77.7943 72.0417 in (null):F-9999 (15) and CA(148) at 36.884 79.8 74.006 in (null):S-9999 (18) other bump:2.54476 Ang OG(63) at 41.5961 76.1362 62.1665 in (null):S-9999 (8) and CD1(107) at 39.2367 77.0587 62.4075 in (null):L-9999 (13) neighbor-bump: 1.7262 Ang CA(61) at 42.908 75.763 60.329 in (null):S-9999 (8) and CD(70) at 44.3342 75.4805 59.3984 in (null):P-9999 (9) other bump:3.18181 Ang CA(54) at 44.879 72.493 60.348 in (null):V-9999 (7) and CD(70) at 44.3342 75.4805 59.3984 in (null):P-9999 (9) other bump:2.1243 Ang O(58) at 43.55 73.637 58.692 in (null):V-9999 (7) and CD(70) at 44.3342 75.4805 59.3984 in (null):P-9999 (9) other bump:1.95523 Ang C(59) at 43.954 73.619 59.86 in (null):V-9999 (7) and CD(70) at 44.3342 75.4805 59.3984 in (null):P-9999 (9) neighbor-bump: 1.70201 Ang N(60) at 43.707 74.606 60.717 in (null):S-9999 (8) and CD(70) at 44.3342 75.4805 59.3984 in (null):P-9999 (9) neighbor-bump: 2.32784 Ang O(64) at 43.031 77.057 58.287 in (null):S-9999 (8) and CD(70) at 44.3342 75.4805 59.3984 in (null):P-9999 (9) neighbor-bump: 1.27328 Ang C(65) at 43.629 76.524 59.211 in (null):S-9999 (8) and CD(70) at 44.3342 75.4805 59.3984 in (null):P-9999 (9) self-bump: 1.33765 Ang N(66) at 44.94 76.673 59.379 in (null):P-9999 (9) and CD(70) at 44.3342 75.4805 59.3984 in (null):P-9999 (9) neighbor-bump: 2.65215 Ang CA(61) at 42.908 75.763 60.329 in (null):S-9999 (8) and CG(69) at 44.0086 75.4877 57.9318 in (null):P-9999 (9) other bump:2.05265 Ang O(58) at 43.55 73.637 58.692 in (null):V-9999 (7) and CG(69) at 44.0086 75.4877 57.9318 in (null):P-9999 (9) other bump:2.68572 Ang C(59) at 43.954 73.619 59.86 in (null):V-9999 (7) and CG(69) at 44.0086 75.4877 57.9318 in (null):P-9999 (9) neighbor-bump: 2.93698 Ang N(60) at 43.707 74.606 60.717 in (null):S-9999 (8) and CG(69) at 44.0086 75.4877 57.9318 in (null):P-9999 (9) neighbor-bump: 1.88273 Ang O(64) at 43.031 77.057 58.287 in (null):S-9999 (8) and CG(69) at 44.0086 75.4877 57.9318 in (null):P-9999 (9) neighbor-bump: 1.68952 Ang C(65) at 43.629 76.524 59.211 in (null):S-9999 (8) and CG(69) at 44.0086 75.4877 57.9318 in (null):P-9999 (9) self-bump: 2.08971 Ang N(66) at 44.94 76.673 59.379 in (null):P-9999 (9) and CG(69) at 44.0086 75.4877 57.9318 in (null):P-9999 (9) neighbor-bump: 2.54516 Ang C(65) at 43.629 76.524 59.211 in (null):S-9999 (8) and CB(68) at 45.2613 76.0298 57.3218 in (null):P-9999 (9) T0147_twice 281 :AITDHGPDMEDAPHHWHFINMRIWPRVVDGVG 4ubpC 279 :AGGGHAPDIMAMAGHPNVLPSSTNPTRPFTVN Fragment has 50 clashes (null) has 50 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues neighbor-bump: 2.56587 Ang CG1(236) at 32.0178 87.581 87.145 in (null):V-9999 (28) and N(240) at 32.834 85.19 86.697 in (null):D-9999 (29) neighbor-bump: 2.69019 Ang CB(228) at 30.8917 85.2923 82.5997 in (null):V-9999 (27) and CA(234) at 31.042 85.969 85.199 in (null):V-9999 (28) neighbor-bump: 2.25019 Ang CG1(229) at 30.4866 86.6556 83.1293 in (null):V-9999 (27) and CA(234) at 31.042 85.969 85.199 in (null):V-9999 (28) neighbor-bump: 2.94246 Ang CG2(230) at 32.4096 85.1041 82.7414 in (null):V-9999 (27) and CA(234) at 31.042 85.969 85.199 in (null):V-9999 (28) neighbor-bump: 2.21659 Ang CG1(229) at 30.4866 86.6556 83.1293 in (null):V-9999 (27) and N(233) at 29.662 85.662 84.931 in (null):V-9999 (28) self-bump: 2.41623 Ang CG1(229) at 30.4866 86.6556 83.1293 in (null):V-9999 (27) and C(232) at 29.165 84.842 84.025 in (null):V-9999 (27) self-bump: 1.34935 Ang CA(227) at 30.08 84.275 82.956 in (null):V-9999 (27) and CB(228) at 30.8917 85.2923 82.5997 in (null):V-9999 (27) other bump:2.22634 Ang CB(4) at 34.535 75.714 81.513 in (null):A-9999 (1) and NH1(222) at 35.9317 76.7644 82.8923 in (null):R-9999 (26) other bump:2.5253 Ang CG2(11) at 31.0424 75.407 75.8837 in (null):I-9999 (2) and CD1(191) at 30.2561 76.7954 77.841 in (null):I-9999 (23) other bump:1.50123 Ang CD1(12) at 31.2265 77.9396 77.8928 in (null):I-9999 (2) and CD1(191) at 30.2561 76.7954 77.841 in (null):I-9999 (23) other bump:2.26491 Ang CB(9) at 32.0296 75.6515 77.0189 in (null):I-9999 (2) and CD1(191) at 30.2561 76.7954 77.841 in (null):I-9999 (23) other bump:1.2196 Ang CG1(10) at 31.3844 76.439 78.1363 in (null):I-9999 (2) and CD1(191) at 30.2561 76.7954 77.841 in (null):I-9999 (23) other bump:1.07762 Ang CD1(12) at 31.2265 77.9396 77.8928 in (null):I-9999 (2) and CG1(189) at 30.2839 78.337 77.5539 in (null):I-9999 (23) other bump:2.27001 Ang CG1(10) at 31.3844 76.439 78.1363 in (null):I-9999 (2) and CG1(189) at 30.2839 78.337 77.5539 in (null):I-9999 (23) other bump:2.54388 Ang CD1(12) at 31.2265 77.9396 77.8928 in (null):I-9999 (2) and CB(188) at 29.2943 78.8162 76.4894 in (null):I-9999 (23) other bump:2.09764 Ang CG(143) at 39.4244 82.2947 67.3336 in (null):F-9999 (18) and OD1(164) at 38.4902 82.3725 69.2102 in (null):N-9999 (20) other bump:2.44785 Ang CD1(144) at 38.8676 81.0435 67.1894 in (null):F-9999 (18) and OD1(164) at 38.4902 82.3725 69.2102 in (null):N-9999 (20) other bump:1.16121 Ang CD2(145) at 39.1764 82.979 68.4963 in (null):F-9999 (18) and OD1(164) at 38.4902 82.3725 69.2102 in (null):N-9999 (20) other bump:2.17574 Ang CE1(146) at 38.1093 80.4832 68.2004 in (null):F-9999 (18) and OD1(164) at 38.4902 82.3725 69.2102 in (null):N-9999 (20) other bump:0.316902 Ang CE2(147) at 38.3958 82.4286 69.5074 in (null):F-9999 (18) and OD1(164) at 38.4902 82.3725 69.2102 in (null):N-9999 (20) other bump:1.35168 Ang CZ(148) at 37.8806 81.1753 69.3596 in (null):F-9999 (18) and OD1(164) at 38.4902 82.3725 69.2102 in (null):N-9999 (20) other bump:1.72554 Ang CD2(145) at 39.1764 82.979 68.4963 in (null):F-9999 (18) and ND2(163) at 39.5089 84.3631 69.4716 in (null):N-9999 (20) other bump:2.23213 Ang CE2(147) at 38.3958 82.4286 69.5074 in (null):F-9999 (18) and ND2(163) at 39.5089 84.3631 69.4716 in (null):N-9999 (20) other bump:2.43539 Ang CA(90) at 41.254 84.327 71.17 in (null):P-9999 (13) and ND2(163) at 39.5089 84.3631 69.4716 in (null):N-9999 (20) other bump:2.77483 Ang CG(143) at 39.4244 82.2947 67.3336 in (null):F-9999 (18) and CG(162) at 38.5062 83.5161 69.6499 in (null):N-9999 (20) other bump:1.43814 Ang CD2(145) at 39.1764 82.979 68.4963 in (null):F-9999 (18) and CG(162) at 38.5062 83.5161 69.6499 in (null):N-9999 (20) other bump:1.10225 Ang CE2(147) at 38.3958 82.4286 69.5074 in (null):F-9999 (18) and CG(162) at 38.5062 83.5161 69.6499 in (null):N-9999 (20) other bump:2.90212 Ang CD2(145) at 39.1764 82.979 68.4963 in (null):F-9999 (18) and CB(161) at 37.3313 84.0003 70.49 in (null):N-9999 (20) other bump:2.13749 Ang CE2(147) at 38.3958 82.4286 69.5074 in (null):F-9999 (18) and CB(161) at 37.3313 84.0003 70.49 in (null):N-9999 (20) other bump:2.81627 Ang CE2(147) at 38.3958 82.4286 69.5074 in (null):F-9999 (18) and CA(160) at 36.064 83.998 69.684 in (null):N-9999 (20) neighbor-bump: 2.43758 Ang CA(85) at 42.786 80.936 70.262 in (null):A-9999 (12) and CD(93) at 41.6517 82.0587 72.1044 in (null):P-9999 (13) neighbor-bump: 2.79652 Ang CB(86) at 41.472 80.119 70.098 in (null):A-9999 (12) and CD(93) at 41.6517 82.0587 72.1044 in (null):P-9999 (13) neighbor-bump: 2.11216 Ang C(88) at 42.306 82.367 70.12 in (null):A-9999 (12) and CD(93) at 41.6517 82.0587 72.1044 in (null):P-9999 (13) other bump:2.03466 Ang O(74) at 42.299 82.097 74.033 in (null):E-9999 (10) and CD(93) at 41.6517 82.0587 72.1044 in (null):P-9999 (13) other bump:2.80595 Ang C(75) at 42.632 80.991 74.507 in (null):E-9999 (10) and CD(93) at 41.6517 82.0587 72.1044 in (null):P-9999 (13) neighbor-bump: 2.28716 Ang N(84) at 43.377 80.656 71.569 in (null):A-9999 (12) and CD(93) at 41.6517 82.0587 72.1044 in (null):P-9999 (13) self-bump: 1.31304 Ang N(89) at 41.858 82.985 71.197 in (null):P-9999 (13) and CD(93) at 41.6517 82.0587 72.1044 in (null):P-9999 (13) other bump:2.82971 Ang C(83) at 44.395 81.367 72.051 in (null):D-9999 (11) and CD(93) at 41.6517 82.0587 72.1044 in (null):P-9999 (13) other bump:2.13823 Ang O(74) at 42.299 82.097 74.033 in (null):E-9999 (10) and CG(92) at 40.5732 82.7252 72.9381 in (null):P-9999 (13) other bump:3.11575 Ang C(75) at 42.632 80.991 74.507 in (null):E-9999 (10) and CG(92) at 40.5732 82.7252 72.9381 in (null):P-9999 (13) self-bump: 2.17935 Ang N(89) at 41.858 82.985 71.197 in (null):P-9999 (13) and CG(92) at 40.5732 82.7252 72.9381 in (null):P-9999 (13) other bump:2.71933 Ang CB(24) at 38.4166 73.9114 73.4599 in (null):D-9999 (4) and CE(64) at 40.1054 74.0449 71.3327 in (null):M-9999 (9) other bump:2.71819 Ang CB(24) at 38.4166 73.9114 73.4599 in (null):D-9999 (4) and CG(62) at 39.9775 76.1259 73.2408 in (null):M-9999 (9) other bump:2.5305 Ang CG(25) at 38.2254 74.9004 74.5942 in (null):D-9999 (4) and CG(62) at 39.9775 76.1259 73.2408 in (null):M-9999 (9) other bump:2.47419 Ang OD2(27) at 37.7501 76.0306 74.3138 in (null):D-9999 (4) and CG(62) at 39.9775 76.1259 73.2408 in (null):M-9999 (9) other bump:2.92668 Ang CG(25) at 38.2254 74.9004 74.5942 in (null):D-9999 (4) and CB(61) at 41.0084 75.747 74.2725 in (null):M-9999 (9) neighbor-bump: 2.08842 Ang O(20) at 36.339 74.008 74.513 in (null):T-9999 (3) and CG(25) at 38.2254 74.9004 74.5942 in (null):D-9999 (4) neighbor-bump: 2.76632 Ang C(21) at 36.389 72.861 74.942 in (null):T-9999 (3) and CG(25) at 38.2254 74.9004 74.5942 in (null):D-9999 (4) neighbor-bump: 2.0145 Ang O(13) at 32.454 72.552 75.966 in (null):I-9999 (2) and CG2(18) at 33.1816 70.749 75.4388 in (null):T-9999 (3) neighbor-bump: 2.77705 Ang C(14) at 33.208 73.242 76.662 in (null):I-9999 (2) and CG2(18) at 33.1816 70.749 75.4388 in (null):T-9999 (3) T0147_twice 383 :EIDVKAVAEAAAKH 4ubpC 311 :TIDEHLDMLMVCHH Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:0.742898 Ang OE2(66) at 34.715 66.2418 82.4634 in (null):E-9999 (9) and NZ(90) at 35.0016 65.6115 82.1943 in (null):K-9999 (13) other bump:1.91224 Ang CD(64) at 34.0835 66.7838 83.3941 in (null):E-9999 (9) and NZ(90) at 35.0016 65.6115 82.1943 in (null):K-9999 (13) other bump:1.99947 Ang OE2(66) at 34.715 66.2418 82.4634 in (null):E-9999 (9) and CE(89) at 34.2254 64.8323 81.1325 in (null):K-9999 (13) other bump:2.44442 Ang OE2(66) at 34.715 66.2418 82.4634 in (null):E-9999 (9) and CD(88) at 32.9739 65.67 80.8458 in (null):K-9999 (13) other bump:2.99424 Ang CD(64) at 34.0835 66.7838 83.3941 in (null):E-9999 (9) and CD(88) at 32.9739 65.67 80.8458 in (null):K-9999 (13) Number of specific fragments= 11 total=779 Number of alignments=68 # command:CPU_time= 56800 msec, elapsed time= 57782.5 msec) # command:# Will now start reporting costs to decoys/undertaker-try1.rdb # command:# TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.2 * wet6.5(6.5, /log(length)) + 1 * dry6.5(6.5) + 1 * dry8(8) + 1 * dry12(12) + 0 * radius_norm + 0.2 * radius_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 5 * break + 0.01 * constraints + 1 * alpha + 1 * alpha_prev + 1 * contact_order ) # Will try all 68 alignments, shrinking each end by up to 0.4*length # Each alignment is added to initial conformation # best score in alignment pool T0147_twice.rand 25.0593 cost/residue, 2615 clashes # command:# TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.2 * wet6.5(6.5, /log(length)) + 1 * dry6.5(6.5) + 1 * dry8(8) + 1 * dry12(12) + 0 * radius_norm + 0.2 * radius_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 5 * break + 0.01 * constraints + 1 * alpha + 1 * alpha_prev + 1 * contact_order ) # Will try all 68 alignments, shrinking each end by up to 0.4*length # Each alignment is added to result of previous insertion # best score in alignment pool T0147_twice.rand 25.0593 cost/residue, 2615 clashes # command:# naming current conformation T0147_twice.al2 # command:# command:# TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.2 * wet6.5(6.5, /log(length)) + 1 * dry6.5(6.5) + 1 * dry8(8) + 1 * dry12(12) + 0 * radius_norm + 0.2 * radius_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 5 * break + 0.01 * constraints + 1 * alpha + 1 * alpha_prev + 1 * contact_order ) # Will try all 68 alignments, shrinking each end by up to 0*length # Each alignment is added to initial conformation # best score in alignment pool T0147_twice.al2 25.0593 cost/residue, 2615 clashes # command:# TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.2 * wet6.5(6.5, /log(length)) + 1 * dry6.5(6.5) + 1 * dry8(8) + 1 * dry12(12) + 0 * radius_norm + 0.2 * radius_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 5 * break + 0.01 * constraints + 1 * alpha + 1 * alpha_prev + 1 * contact_order ) # Will try all 68 alignments, shrinking each end by up to 0*length # Each alignment is added to result of previous insertion # best score in alignment pool T0147_twice.al2 25.0593 cost/residue, 2615 clashes # command:# naming current conformation T0147_twice.try1-al4 # command:# command:# TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.2 * wet6.5(6.5, /log(length)) + 1 * dry6.5(6.5) + 1 * dry8(8) + 1 * dry12(12) + 0 * radius_norm + 0.2 * radius_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 5 * break + 0.01 * constraints + 1 * alpha + 1 * alpha_prev + 1 * contact_order ) # Will try all 68 alignments, shrinking each end by up to 0.3*length # Each alignment is added to initial conformation # best score in alignment pool T0147_twice.try1-al4+T0147_twice-1gdeA-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1gdeA at pool[7] 24.5689 cost/residue, 2433 clashes 0.664358 breaks # command:# TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.2 * wet6.5(6.5, /log(length)) + 1 * dry6.5(6.5) + 1 * dry8(8) + 1 * dry12(12) + 0 * radius_norm + 0.2 * radius_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 5 * break + 0.01 * constraints + 1 * alpha + 1 * alpha_prev + 1 * contact_order ) # Will try all 68 alignments, shrinking each end by up to 0.3*length # Each alignment is added to result of previous insertion # best score in alignment pool T0147_twice.try1-al4+T0147_twice-1gdeA-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1gdeA 24.5689 cost/residue, 2433 clashes 0.664358 breaks # command:# naming current conformation T0147_twice.try1-al6 # command:# command:# TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.2 * wet6.5(6.5, /log(length)) + 1 * dry6.5(6.5) + 1 * dry8(8) + 1 * dry12(12) + 0 * radius_norm + 0.2 * radius_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 5 * break + 0.01 * constraints + 1 * alpha + 1 * alpha_prev + 1 * contact_order ) # Will try all 68 alignments, shrinking each end by up to 0.1*length # Each alignment is added to initial conformation # best score in alignment pool T0147_twice.try1-al6+T0147_twice-2mnr-2track-protein-STR-global-adpstyle1.pw.a2m.gz:2mnr at pool[25] 23.6615 cost/residue, 2019 clashes 0.741031 breaks # command:# TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.2 * wet6.5(6.5, /log(length)) + 1 * dry6.5(6.5) + 1 * dry8(8) + 1 * dry12(12) + 0 * radius_norm + 0.2 * radius_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 5 * break + 0.01 * constraints + 1 * alpha + 1 * alpha_prev + 1 * contact_order ) # Will try all 68 alignments, shrinking each end by up to 0.1*length # Each alignment is added to result of previous insertion # best score in alignment pool T0147_twice.try1-al6+T0147_twice-2mnr-2track-protein-STR-global-adpstyle1.pw.a2m.gz:2mnr 23.6615 cost/residue, 2019 clashes 0.741031 breaks # command:# naming current conformation T0147_twice.try1-al8 # command:# command:# TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.2 * wet6.5(6.5, /log(length)) + 1 * dry6.5(6.5) + 1 * dry8(8) + 1 * dry12(12) + 0 * radius_norm + 0.2 * radius_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 5 * break + 0.01 * constraints + 1 * alpha + 1 * alpha_prev + 1 * contact_order ) # Will try all 68 alignments, shrinking each end by up to 0.2*length # Each alignment is added to initial conformation # best score in alignment pool T0147_twice.try1-al8+T0147_twice-1qfeA-2track-protein-STR-global-adpstyle1.pw.a2m.gz:1qfeA at pool[12] 23.3451 cost/residue, 2312 clashes 0.666074 breaks # command:# TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.2 * wet6.5(6.5, /log(length)) + 1 * dry6.5(6.5) + 1 * dry8(8) + 1 * dry12(12) + 0 * radius_norm + 0.2 * radius_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 5 * break + 0.01 * constraints + 1 * alpha + 1 * alpha_prev + 1 * contact_order ) # Will try all 68 alignments, shrinking each end by up to 0.2*length # Each alignment is added to result of previous insertion # best score in alignment pool T0147_twice.try1-al8+T0147_twice-1qfeA-2track-protein-STR-global-adpstyle1.pw.a2m.gz:1qfeA 23.3451 cost/residue, 2312 clashes 0.666074 breaks # command:# naming current conformation T0147_twice.try1-al10 # command:# command:# TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.2 * wet6.5(6.5, /log(length)) + 1 * dry6.5(6.5) + 1 * dry8(8) + 1 * dry12(12) + 0 * radius_norm + 0.2 * radius_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 5 * break + 0.01 * constraints + 1 * alpha + 1 * alpha_prev + 1 * contact_order ) # Will try all 68 alignments, shrinking each end by up to 0*length # Each alignment is added to initial conformation # best score in alignment pool T0147_twice.try1-al10 23.3451 cost/residue, 2312 clashes 0.666074 breaks # command:# TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.2 * wet6.5(6.5, /log(length)) + 1 * dry6.5(6.5) + 1 * dry8(8) + 1 * dry12(12) + 0 * radius_norm + 0.2 * radius_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 5 * break + 0.01 * constraints + 1 * alpha + 1 * alpha_prev + 1 * contact_order ) # Will try all 68 alignments, shrinking each end by up to 0*length # Each alignment is added to result of previous insertion # best score in alignment pool T0147_twice.try1-al10 23.3451 cost/residue, 2312 clashes 0.666074 breaks # command:# naming current conformation T0147_twice.try1-al12 # command:# command:# CostConform T0147_twice.try1-al12 costs 23.3451 T0147_twice.try1-al10 costs 23.3451 T0147_twice.try1-al10 costs 23.3451 T0147_twice.try1-al8+T0147_twice-1qfeA-2track-protein-STR-global-adpstyle1.pw.a2m.gz:1qfeA costs 23.3451 T0147_twice.try1-al8 costs 23.6615 T0147_twice.try1-al6+T0147_twice-2mnr-2track-protein-STR-global-adpstyle1.pw.a2m.gz:2mnr costs 23.6615 T0147_twice.try1-al6 costs 24.5689 T0147_twice.try1-al4+T0147_twice-1gdeA-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1gdeA costs 24.5689 T0147_twice.try1-al4 costs 25.0593 T0147_twice.al2 costs 25.0593 T0147_twice.al2 costs 25.0593 T0147_twice.rand costs 25.0593 T0147_twice.rand costs 25.0593 # command:CPU_time= 389900 msec, elapsed time= 390948 msec) # command:# Reading fragments from alignment file # T0147_twice read from T0147_twice.t2k.frag # 2bnh.1.1 read from T0147_twice.t2k.frag # adding 2bnh to template set 2bnh:# found chain 2bnh in template set T0147_twice 1 :MYPVDLHMH 2bnh 1 :MNLDIHCEQ Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 3.01049 Ang CB(22) at 22.9477 22.5667 5.3313 in (null):P-9999 (2) and CA(28) at 19.971 23.016 5.313 in (null):V-9999 (3) neighbor-bump: 1.67806 Ang CB(22) at 22.9477 22.5667 5.3313 in (null):P-9999 (2) and N(27) at 21.336 22.717 4.889 in (null):V-9999 (3) self-bump: 2.11753 Ang CB(22) at 22.9477 22.5667 5.3313 in (null):P-9999 (2) and C(26) at 21.717 22.731 3.616 in (null):P-9999 (2) neighbor-bump: 2.51296 Ang CB(10) at 24.0741 26.7065 3.50314 in (null):Y-9999 (1) and CD(24) at 24.1329 24.4823 4.67116 in (null):P-9999 (2) self-bump: 1.28515 Ang N(20) at 23.925 23.63 3.732 in (null):P-9999 (2) and CD(24) at 24.1329 24.4823 4.67116 in (null):P-9999 (2) neighbor-bump: 1.91303 Ang C(19) at 24.45 24.387 2.787 in (null):Y-9999 (1) and CD(24) at 24.1329 24.4823 4.67116 in (null):P-9999 (2) neighbor-bump: 2.13677 Ang CA(9) at 25.159 25.666 3.218 in (null):Y-9999 (1) and CD(24) at 24.1329 24.4823 4.67116 in (null):P-9999 (2) self-bump: 2.02947 Ang N(20) at 23.925 23.63 3.732 in (null):P-9999 (2) and CG(23) at 24.0973 23.4309 5.74431 in (null):P-9999 (2) self-bump: 2.15484 Ang N(20) at 23.925 23.63 3.732 in (null):P-9999 (2) and CB(22) at 22.9477 22.5667 5.3313 in (null):P-9999 (2) Number of specific fragments= 1 total=780 # 1fwcB.1.1 read from T0147_twice.t2k.frag # adding 1fwcB to template set 1fwcB:# found chain 1fwcB in template set T0147_twice 1 :MYPVDLHMH 1fwcB 2 :IPGEYHVKP Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 1.29845 Ang C(19) at 66.063 100.297 106.116 in (null):Y-9999 (1) and CD(24) at 65.9829 100.486 104.834 in (null):P-9999 (2) self-bump: 1.24393 Ang N(20) at 64.912 100.325 105.446 in (null):P-9999 (2) and CD(24) at 65.9829 100.486 104.834 in (null):P-9999 (2) neighbor-bump: 2.37015 Ang O(18) at 66.364 99.404 106.908 in (null):Y-9999 (1) and CD(24) at 65.9829 100.486 104.834 in (null):P-9999 (2) neighbor-bump: 1.77684 Ang CA(9) at 66.999 101.484 105.896 in (null):Y-9999 (1) and CD(24) at 65.9829 100.486 104.834 in (null):P-9999 (2) neighbor-bump: 2.24244 Ang CB(10) at 68.1213 101.155 104.922 in (null):Y-9999 (1) and CD(24) at 65.9829 100.486 104.834 in (null):P-9999 (2) neighbor-bump: 2.27045 Ang C(19) at 66.063 100.297 106.116 in (null):Y-9999 (1) and CG(23) at 66.0631 99.1222 104.173 in (null):P-9999 (2) self-bump: 2.09572 Ang N(20) at 64.912 100.325 105.446 in (null):P-9999 (2) and CG(23) at 66.0631 99.1222 104.173 in (null):P-9999 (2) neighbor-bump: 3.06957 Ang CA(9) at 66.999 101.484 105.896 in (null):Y-9999 (1) and CG(23) at 66.0631 99.1222 104.173 in (null):P-9999 (2) neighbor-bump: 2.98824 Ang CB(10) at 68.1213 101.155 104.922 in (null):Y-9999 (1) and CG(23) at 66.0631 99.1222 104.173 in (null):P-9999 (2) neighbor-bump: 2.44062 Ang C(19) at 66.063 100.297 106.116 in (null):Y-9999 (1) and CB(22) at 65.2833 98.2266 105.085 in (null):P-9999 (2) Number of specific fragments= 1 total=781 # 2kauB.1.1 read from T0147_twice.t2k.frag # adding 2kauB to template set 2kauB:# found chain 2kauB in template set T0147_twice 1 :MYPVDLHMH 2kauB 2 :IPGEYHVKP Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 1.31771 Ang C(19) at 66.06 100.259 106.113 in (null):Y-9999 (1) and CD(24) at 65.9605 100.457 104.814 in (null):P-9999 (2) self-bump: 1.2468 Ang N(20) at 64.907 100.266 105.453 in (null):P-9999 (2) and CD(24) at 65.9605 100.457 104.814 in (null):P-9999 (2) neighbor-bump: 2.39362 Ang O(18) at 66.381 99.378 106.909 in (null):Y-9999 (1) and CD(24) at 65.9605 100.457 104.814 in (null):P-9999 (2) neighbor-bump: 1.77417 Ang CA(9) at 66.965 101.46 105.878 in (null):Y-9999 (1) and CD(24) at 65.9605 100.457 104.814 in (null):P-9999 (2) neighbor-bump: 2.24035 Ang CB(10) at 68.0899 101.147 104.906 in (null):Y-9999 (1) and CD(24) at 65.9605 100.457 104.814 in (null):P-9999 (2) neighbor-bump: 2.27673 Ang C(19) at 66.06 100.259 106.113 in (null):Y-9999 (1) and CG(23) at 66.0609 99.0923 104.158 in (null):P-9999 (2) self-bump: 2.09435 Ang N(20) at 64.907 100.266 105.453 in (null):P-9999 (2) and CG(23) at 66.0609 99.0923 104.158 in (null):P-9999 (2) neighbor-bump: 3.06303 Ang CA(9) at 66.965 101.46 105.878 in (null):Y-9999 (1) and CG(23) at 66.0609 99.0923 104.158 in (null):P-9999 (2) neighbor-bump: 2.98285 Ang CB(10) at 68.0899 101.147 104.906 in (null):Y-9999 (1) and CG(23) at 66.0609 99.0923 104.158 in (null):P-9999 (2) neighbor-bump: 2.43179 Ang C(19) at 66.06 100.259 106.113 in (null):Y-9999 (1) and CB(22) at 65.3166 98.1835 105.087 in (null):P-9999 (2) self-bump: 2.15375 Ang N(20) at 64.907 100.266 105.453 in (null):P-9999 (2) and CB(22) at 65.3166 98.1835 105.087 in (null):P-9999 (2) Number of specific fragments= 1 total=782 # 1ejrB.1.1 read from T0147_twice.t2k.frag # adding 1ejrB to template set 1ejrB:# found chain 1ejrB in template set T0147_twice 1 :MYPVDLHMH 1ejrB 2002 :IPGEYHVKP Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 1.2972 Ang C(19) at 65.983 100.11 106.014 in (null):Y-9999 (1) and CD(24) at 65.8895 100.328 104.739 in (null):P-9999 (2) self-bump: 1.24688 Ang N(20) at 64.824 100.152 105.362 in (null):P-9999 (2) and CD(24) at 65.8895 100.328 104.739 in (null):P-9999 (2) neighbor-bump: 2.36115 Ang O(18) at 66.3 99.193 106.768 in (null):Y-9999 (1) and CD(24) at 65.8895 100.328 104.739 in (null):P-9999 (2) neighbor-bump: 1.7725 Ang CA(9) at 66.91 101.304 105.81 in (null):Y-9999 (1) and CD(24) at 65.8895 100.328 104.739 in (null):P-9999 (2) neighbor-bump: 2.24363 Ang CB(10) at 68.0239 101.015 104.821 in (null):Y-9999 (1) and CD(24) at 65.8895 100.328 104.739 in (null):P-9999 (2) neighbor-bump: 2.25833 Ang C(19) at 65.983 100.11 106.014 in (null):Y-9999 (1) and CG(23) at 65.9719 98.9717 104.064 in (null):P-9999 (2) self-bump: 2.09685 Ang N(20) at 64.824 100.152 105.362 in (null):P-9999 (2) and CG(23) at 65.9719 98.9717 104.064 in (null):P-9999 (2) neighbor-bump: 3.061 Ang CA(9) at 66.91 101.304 105.81 in (null):Y-9999 (1) and CG(23) at 65.9719 98.9717 104.064 in (null):P-9999 (2) neighbor-bump: 2.99288 Ang CB(10) at 68.0239 101.015 104.821 in (null):Y-9999 (1) and CG(23) at 65.9719 98.9717 104.064 in (null):P-9999 (2) neighbor-bump: 2.42632 Ang C(19) at 65.983 100.11 106.014 in (null):Y-9999 (1) and CB(22) at 65.2017 98.0632 104.971 in (null):P-9999 (2) self-bump: 2.15831 Ang N(20) at 64.824 100.152 105.362 in (null):P-9999 (2) and CB(22) at 65.2017 98.0632 104.971 in (null):P-9999 (2) Number of specific fragments= 1 total=783 # 2bnh.1.3 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 1 :MYPVDLHMH 2bnh 3 :LDIHCEQLS Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.36023 Ang CZ(16) at 15.9076 25.4803 7.1266 in (null):Y-9999 (1) and CG2(31) at 14.7404 23.4616 7.4916 in (null):V-9999 (3) other bump:2.29508 Ang OH(17) at 14.6861 25.7474 7.69133 in (null):Y-9999 (1) and CG2(31) at 14.7404 23.4616 7.4916 in (null):V-9999 (3) other bump:2.92969 Ang CE2(15) at 16.0147 25.4417 5.74846 in (null):Y-9999 (1) and CG2(31) at 14.7404 23.4616 7.4916 in (null):V-9999 (3) other bump:2.90417 Ang CE1(14) at 17.0045 25.2269 7.92953 in (null):Y-9999 (1) and CG2(31) at 14.7404 23.4616 7.4916 in (null):V-9999 (3) neighbor-bump: 1.98126 Ang C(19) at 18.833 22.099 4.855 in (null):Y-9999 (1) and CD(24) at 19.6358 20.5315 5.76267 in (null):P-9999 (2) other bump:2.66466 Ang CE(5) at 21.3278 21.0745 7.74833 in (null):M-9999 (0) and CD(24) at 19.6358 20.5315 5.76267 in (null):P-9999 (2) neighbor-bump: 2.95321 Ang CG(3) at 22.1301 23.0657 6.0868 in (null):M-9999 (0) and CB(10) at 19.659 24.4903 5.3217 in (null):Y-9999 (1) neighbor-bump: 3.2493 Ang CB(2) at 23.1169 22.2028 5.31259 in (null):M-9999 (0) and CA(9) at 19.971 23.016 5.313 in (null):Y-9999 (1) neighbor-bump: 2.29414 Ang CG(3) at 22.1301 23.0657 6.0868 in (null):M-9999 (0) and CA(9) at 19.971 23.016 5.313 in (null):Y-9999 (1) neighbor-bump: 1.90142 Ang CB(2) at 23.1169 22.2028 5.31259 in (null):M-9999 (0) and N(8) at 21.336 22.717 4.889 in (null):Y-9999 (1) neighbor-bump: 1.47884 Ang CG(3) at 22.1301 23.0657 6.0868 in (null):M-9999 (0) and N(8) at 21.336 22.717 4.889 in (null):Y-9999 (1) self-bump: 2.52736 Ang CG(3) at 22.1301 23.0657 6.0868 in (null):M-9999 (0) and C(7) at 21.717 22.731 3.616 in (null):M-9999 (0) Number of specific fragments= 1 total=784 # 1afrA.1.1 read from T0147_twice.t2k.frag # adding 1afrA to template set 1afrA:# found chain 1afrA in template set T0147_twice 1 :MYPVDLHMH 1afrA 20 :PPREVHVQV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=785 # 2bnh.2.2 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 2 :YPVDLHMHT 2bnh 2 :NLDIHCEQL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01049 Ang CB(16) at 22.9477 22.5667 5.3313 in (null):P-9999 (2) and CA(22) at 19.971 23.016 5.313 in (null):V-9999 (3) neighbor-bump: 1.67806 Ang CB(16) at 22.9477 22.5667 5.3313 in (null):P-9999 (2) and N(21) at 21.336 22.717 4.889 in (null):V-9999 (3) self-bump: 2.11753 Ang CB(16) at 22.9477 22.5667 5.3313 in (null):P-9999 (2) and C(20) at 21.717 22.731 3.616 in (null):P-9999 (2) self-bump: 1.28515 Ang N(14) at 23.925 23.63 3.732 in (null):P-9999 (2) and CD(18) at 24.1329 24.4823 4.67115 in (null):P-9999 (2) neighbor-bump: 2.13677 Ang CA(3) at 25.159 25.666 3.218 in (null):Y-9999 (1) and CD(18) at 24.1329 24.4823 4.67115 in (null):P-9999 (2) neighbor-bump: 2.51296 Ang CB(4) at 24.0741 26.7065 3.50314 in (null):Y-9999 (1) and CD(18) at 24.1329 24.4823 4.67115 in (null):P-9999 (2) neighbor-bump: 1.91303 Ang C(13) at 24.45 24.387 2.787 in (null):Y-9999 (1) and CD(18) at 24.1329 24.4823 4.67115 in (null):P-9999 (2) self-bump: 2.02947 Ang N(14) at 23.925 23.63 3.732 in (null):P-9999 (2) and CG(17) at 24.0973 23.4309 5.74431 in (null):P-9999 (2) self-bump: 2.15484 Ang N(14) at 23.925 23.63 3.732 in (null):P-9999 (2) and CB(16) at 22.9477 22.5667 5.3313 in (null):P-9999 (2) Number of specific fragments= 1 total=786 # 2kauB.2.2 read from T0147_twice.t2k.frag # found chain 2kauB in template set T0147_twice 2 :YPVDLHMHT 2kauB 3 :PGEYHVKPG Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.56474 Ang O(70) at 49.15 97.811 118.71 in (null):H-9999 (8) and CG2(75) at 47.786 97.0505 118.613 in (null):T-9999 (9) neighbor-bump: 2.54434 Ang C(71) at 50.193 97.515 119.294 in (null):H-9999 (8) and CG2(75) at 47.786 97.0505 118.613 in (null):T-9999 (9) neighbor-bump: 2.31504 Ang O(70) at 49.15 97.811 118.71 in (null):H-9999 (8) and CB(74) at 48.3068 95.6668 118.935 in (null):T-9999 (9) neighbor-bump: 2.66504 Ang C(71) at 50.193 97.515 119.294 in (null):H-9999 (8) and CB(74) at 48.3068 95.6668 118.935 in (null):T-9999 (9) neighbor-bump: 2.39362 Ang O(12) at 66.381 99.378 106.909 in (null):Y-9999 (1) and CD(18) at 65.9605 100.457 104.814 in (null):P-9999 (2) neighbor-bump: 1.31771 Ang C(13) at 66.06 100.259 106.113 in (null):Y-9999 (1) and CD(18) at 65.9605 100.457 104.814 in (null):P-9999 (2) self-bump: 1.24681 Ang N(14) at 64.907 100.266 105.453 in (null):P-9999 (2) and CD(18) at 65.9605 100.457 104.814 in (null):P-9999 (2) neighbor-bump: 1.77417 Ang CA(3) at 66.965 101.46 105.878 in (null):Y-9999 (1) and CD(18) at 65.9605 100.457 104.814 in (null):P-9999 (2) neighbor-bump: 2.26206 Ang CB(4) at 68.1088 101.156 104.928 in (null):Y-9999 (1) and CD(18) at 65.9605 100.457 104.814 in (null):P-9999 (2) neighbor-bump: 2.27673 Ang C(13) at 66.06 100.259 106.113 in (null):Y-9999 (1) and CG(17) at 66.0609 99.0922 104.158 in (null):P-9999 (2) self-bump: 2.09436 Ang N(14) at 64.907 100.266 105.453 in (null):P-9999 (2) and CG(17) at 66.0609 99.0922 104.158 in (null):P-9999 (2) neighbor-bump: 3.06303 Ang CA(3) at 66.965 101.46 105.878 in (null):Y-9999 (1) and CG(17) at 66.0609 99.0922 104.158 in (null):P-9999 (2) neighbor-bump: 3.00746 Ang CB(4) at 68.1088 101.156 104.928 in (null):Y-9999 (1) and CG(17) at 66.0609 99.0922 104.158 in (null):P-9999 (2) neighbor-bump: 2.43179 Ang C(13) at 66.06 100.259 106.113 in (null):Y-9999 (1) and CB(16) at 65.3166 98.1835 105.087 in (null):P-9999 (2) self-bump: 2.15376 Ang N(14) at 64.907 100.266 105.453 in (null):P-9999 (2) and CB(16) at 65.3166 98.1835 105.087 in (null):P-9999 (2) Number of specific fragments= 1 total=787 # 1fwcB.2.2 read from T0147_twice.t2k.frag # found chain 1fwcB in template set T0147_twice 2 :YPVDLHMHT 1fwcB 3 :PGEYHVKPG Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.66006 Ang O(70) at 49.081 97.973 118.736 in (null):H-9999 (8) and CG2(75) at 47.8177 96.9758 118.329 in (null):T-9999 (9) neighbor-bump: 2.58047 Ang C(71) at 50.128 97.622 119.28 in (null):H-9999 (8) and CG2(75) at 47.8177 96.9758 118.329 in (null):T-9999 (9) neighbor-bump: 2.37015 Ang O(12) at 66.364 99.404 106.908 in (null):Y-9999 (1) and CD(18) at 65.9829 100.486 104.834 in (null):P-9999 (2) neighbor-bump: 1.29847 Ang C(13) at 66.063 100.297 106.116 in (null):Y-9999 (1) and CD(18) at 65.9829 100.486 104.834 in (null):P-9999 (2) self-bump: 1.24394 Ang N(14) at 64.912 100.325 105.446 in (null):P-9999 (2) and CD(18) at 65.9829 100.486 104.834 in (null):P-9999 (2) neighbor-bump: 1.77686 Ang CA(3) at 66.999 101.484 105.896 in (null):Y-9999 (1) and CD(18) at 65.9829 100.486 104.834 in (null):P-9999 (2) neighbor-bump: 2.26406 Ang CB(4) at 68.1403 101.163 104.945 in (null):Y-9999 (1) and CD(18) at 65.9829 100.486 104.834 in (null):P-9999 (2) neighbor-bump: 2.27049 Ang C(13) at 66.063 100.297 106.116 in (null):Y-9999 (1) and CG(17) at 66.0631 99.1222 104.173 in (null):P-9999 (2) self-bump: 2.09574 Ang N(14) at 64.912 100.325 105.446 in (null):P-9999 (2) and CG(17) at 66.0631 99.1222 104.173 in (null):P-9999 (2) neighbor-bump: 3.0696 Ang CA(3) at 66.999 101.484 105.896 in (null):Y-9999 (1) and CG(17) at 66.0631 99.1222 104.173 in (null):P-9999 (2) neighbor-bump: 3.01285 Ang CB(4) at 68.1403 101.163 104.945 in (null):Y-9999 (1) and CG(17) at 66.0631 99.1222 104.173 in (null):P-9999 (2) neighbor-bump: 2.44065 Ang C(13) at 66.063 100.297 106.116 in (null):Y-9999 (1) and CB(16) at 65.2833 98.2266 105.085 in (null):P-9999 (2) Number of specific fragments= 1 total=788 # 1ejrB.2.2 read from T0147_twice.t2k.frag # found chain 1ejrB in template set T0147_twice 2 :YPVDLHMHT 1ejrB 2003 :PGEYHVKPG Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.58394 Ang O(70) at 48.987 97.791 118.534 in (null):H-9999 (8) and CG2(75) at 47.673 96.9422 118.286 in (null):T-9999 (9) neighbor-bump: 2.5554 Ang C(71) at 50.016 97.493 119.144 in (null):H-9999 (8) and CG2(75) at 47.673 96.9422 118.286 in (null):T-9999 (9) neighbor-bump: 2.69031 Ang C(71) at 50.016 97.493 119.144 in (null):H-9999 (8) and CB(74) at 48.1886 95.5745 118.677 in (null):T-9999 (9) neighbor-bump: 2.36114 Ang O(12) at 66.3 99.193 106.768 in (null):Y-9999 (1) and CD(18) at 65.8895 100.328 104.739 in (null):P-9999 (2) neighbor-bump: 1.2972 Ang C(13) at 65.983 100.11 106.014 in (null):Y-9999 (1) and CD(18) at 65.8895 100.328 104.739 in (null):P-9999 (2) self-bump: 1.24688 Ang N(14) at 64.824 100.152 105.362 in (null):P-9999 (2) and CD(18) at 65.8895 100.328 104.739 in (null):P-9999 (2) neighbor-bump: 1.77251 Ang CA(3) at 66.91 101.304 105.81 in (null):Y-9999 (1) and CD(18) at 65.8895 100.328 104.739 in (null):P-9999 (2) neighbor-bump: 2.265 Ang CB(4) at 68.0427 101.023 104.843 in (null):Y-9999 (1) and CD(18) at 65.8895 100.328 104.739 in (null):P-9999 (2) neighbor-bump: 2.25834 Ang C(13) at 65.983 100.11 106.014 in (null):Y-9999 (1) and CG(17) at 65.9719 98.9717 104.064 in (null):P-9999 (2) self-bump: 2.09685 Ang N(14) at 64.824 100.152 105.362 in (null):P-9999 (2) and CG(17) at 65.9719 98.9717 104.064 in (null):P-9999 (2) neighbor-bump: 3.06101 Ang CA(3) at 66.91 101.304 105.81 in (null):Y-9999 (1) and CG(17) at 65.9719 98.9717 104.064 in (null):P-9999 (2) neighbor-bump: 3.01724 Ang CB(4) at 68.0427 101.023 104.843 in (null):Y-9999 (1) and CG(17) at 65.9719 98.9717 104.064 in (null):P-9999 (2) neighbor-bump: 2.42633 Ang C(13) at 65.983 100.11 106.014 in (null):Y-9999 (1) and CB(16) at 65.2017 98.0632 104.971 in (null):P-9999 (2) self-bump: 2.15833 Ang N(14) at 64.824 100.152 105.362 in (null):P-9999 (2) and CB(16) at 65.2017 98.0632 104.971 in (null):P-9999 (2) Number of specific fragments= 1 total=789 # 1afrA.2.2 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 2 :YPVDLHMHT 1afrA 21 :PREVHVQVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=790 # 1ptf.2.2 read from T0147_twice.t2k.frag # found chain 1ptf in training set T0147_twice 2 :YPVDLHMHT 1ptf 3 :KKEFHIVAE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.11219 Ang ND1(67) at 26.4199 -5.14499 8.18683 in (null):H-9999 (8) and CA(80) at 26.36 -2.242 9.307 in (null):G-9999 (10) other bump:2.49922 Ang ND1(67) at 26.4199 -5.14499 8.18683 in (null):H-9999 (8) and N(79) at 27.102 -3.386 9.826 in (null):G-9999 (10) Number of specific fragments= 1 total=791 # 2bnh.3.3 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 3 :PVDLHMHTV 2bnh 3 :LDIHCEQLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3686 Ang CA(3) at 23.194 22.443 3.352 in (null):P-9999 (1) and CB(4) at 23.6098 21.2438 3.86399 in (null):P-9999 (1) Number of specific fragments= 1 total=792 # 1fwcB.3.3 read from T0147_twice.t2k.frag # found chain 1fwcB in template set T0147_twice 3 :PVDLHMHTV 1fwcB 4 :GEYHVKPGQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.66007 Ang O(58) at 49.081 97.973 118.736 in (null):H-9999 (7) and CG2(63) at 47.8176 96.9758 118.329 in (null):T-9999 (8) neighbor-bump: 2.58048 Ang C(59) at 50.128 97.622 119.28 in (null):H-9999 (7) and CG2(63) at 47.8176 96.9758 118.329 in (null):T-9999 (8) neighbor-bump: 2.04605 Ang O(0) at 66.364 99.404 106.908 in (null):G-9999 (0) and CD(6) at 65.9991 99.2707 104.899 in (null):P-9999 (1) neighbor-bump: 1.59313 Ang C(1) at 66.063 100.297 106.116 in (null):G-9999 (0) and CD(6) at 65.9991 99.2707 104.899 in (null):P-9999 (1) self-bump: 2.15748 Ang CA(3) at 63.941 99.246 105.546 in (null):P-9999 (1) and CD(6) at 65.9991 99.2707 104.899 in (null):P-9999 (1) Number of specific fragments= 1 total=793 # 2kauB.3.3 read from T0147_twice.t2k.frag # found chain 2kauB in template set T0147_twice 3 :PVDLHMHTV 2kauB 4 :GEYHVKPGQ Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.56473 Ang O(58) at 49.15 97.811 118.71 in (null):H-9999 (7) and CG2(63) at 47.786 97.0505 118.613 in (null):T-9999 (8) neighbor-bump: 2.54433 Ang C(59) at 50.193 97.515 119.294 in (null):H-9999 (7) and CG2(63) at 47.786 97.0505 118.613 in (null):T-9999 (8) neighbor-bump: 2.31504 Ang O(58) at 49.15 97.811 118.71 in (null):H-9999 (7) and CB(62) at 48.3068 95.6668 118.935 in (null):T-9999 (8) neighbor-bump: 2.66504 Ang C(59) at 50.193 97.515 119.294 in (null):H-9999 (7) and CB(62) at 48.3068 95.6668 118.935 in (null):T-9999 (8) neighbor-bump: 2.06525 Ang O(0) at 66.381 99.378 106.909 in (null):G-9999 (0) and CD(6) at 66.0047 99.24 104.883 in (null):P-9999 (1) neighbor-bump: 1.59824 Ang C(1) at 66.06 100.259 106.113 in (null):G-9999 (0) and CD(6) at 66.0047 99.24 104.883 in (null):P-9999 (1) self-bump: 2.16024 Ang CA(3) at 63.955 99.175 105.562 in (null):P-9999 (1) and CD(6) at 66.0047 99.24 104.883 in (null):P-9999 (1) Number of specific fragments= 1 total=794 # 1ejrB.3.3 read from T0147_twice.t2k.frag # found chain 1ejrB in template set T0147_twice 3 :PVDLHMHTV 1ejrB 2004 :GEYHVKPGQ Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.58395 Ang O(58) at 48.987 97.791 118.534 in (null):H-9999 (7) and CG2(63) at 47.673 96.9422 118.286 in (null):T-9999 (8) neighbor-bump: 2.5554 Ang C(59) at 50.016 97.493 119.144 in (null):H-9999 (7) and CG2(63) at 47.673 96.9422 118.286 in (null):T-9999 (8) neighbor-bump: 2.69032 Ang C(59) at 50.016 97.493 119.144 in (null):H-9999 (7) and CB(62) at 48.1886 95.5745 118.677 in (null):T-9999 (8) neighbor-bump: 2.00429 Ang O(0) at 66.3 99.193 106.768 in (null):G-9999 (0) and CD(6) at 65.9178 99.1144 104.802 in (null):P-9999 (1) neighbor-bump: 1.56981 Ang C(1) at 65.983 100.11 106.014 in (null):G-9999 (0) and CD(6) at 65.9178 99.1144 104.802 in (null):P-9999 (1) self-bump: 2.16112 Ang CA(3) at 63.856 99.07 105.448 in (null):P-9999 (1) and CD(6) at 65.9178 99.1144 104.802 in (null):P-9999 (1) Number of specific fragments= 1 total=795 # 1afrA.3.3 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 3 :PVDLHMHTV 1afrA 22 :REVHVQVTH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=796 # 1ptf.3.3 read from T0147_twice.t2k.frag # found chain 1ptf in training set T0147_twice 3 :PVDLHMHTV 1ptf 4 :KEFHIVAET Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01737 Ang ND1(37) at 21.3042 -5.41328 12.2037 in (null):H-9999 (5) and CA(75) at 23.033 -3.236 11.031 in (null):G-9999 (10) other bump:2.89883 Ang NE2(39) at 22.7065 -6.10095 10.7333 in (null):H-9999 (5) and CA(75) at 23.033 -3.236 11.031 in (null):G-9999 (10) other bump:2.03389 Ang CE1(38) at 22.0944 -5.03102 11.2147 in (null):H-9999 (5) and CA(75) at 23.033 -3.236 11.031 in (null):G-9999 (10) other bump:2.42883 Ang CE1(56) at 27.0626 -4.93478 7.03795 in (null):H-9999 (7) and CG2(71) at 27.6873 -2.58834 7.09411 in (null):V-9999 (9) other bump:2.50671 Ang ND1(55) at 26.4199 -5.14499 8.18683 in (null):H-9999 (7) and CB(69) at 26.2778 -2.69095 7.69578 in (null):V-9999 (9) other bump:2.46645 Ang CE1(56) at 27.0626 -4.93478 7.03795 in (null):H-9999 (7) and CB(69) at 26.2778 -2.69095 7.69578 in (null):V-9999 (9) other bump:3.11219 Ang ND1(55) at 26.4199 -5.14499 8.18683 in (null):H-9999 (7) and CA(68) at 26.36 -2.242 9.307 in (null):V-9999 (9) other bump:2.49922 Ang ND1(55) at 26.4199 -5.14499 8.18683 in (null):H-9999 (7) and N(67) at 27.102 -3.386 9.826 in (null):V-9999 (9) Number of specific fragments= 1 total=797 # 1fnf.4.4 read from T0147_twice.t2k.frag # adding 1fnf to template set 1fnf:# found chain 1fnf in template set T0147_twice 4 :VDLHMHTVA 1fnf 1146 :PTNLHLEAN Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.00569 Ang CD2(29) at 12.3213 -19.4766 51.0181 in (null):H-9999 (4) and NE2(50) at 13.2293 -19.8106 49.2612 in (null):H-9999 (6) other bump:1.31752 Ang NE2(32) at 13.5414 -19.2629 50.4181 in (null):H-9999 (4) and NE2(50) at 13.2293 -19.8106 49.2612 in (null):H-9999 (6) other bump:2.53355 Ang CE1(31) at 14.2635 -18.3943 51.0897 in (null):H-9999 (4) and NE2(50) at 13.2293 -19.8106 49.2612 in (null):H-9999 (6) other bump:1.7981 Ang CD2(29) at 12.3213 -19.4766 51.0181 in (null):H-9999 (4) and CE1(49) at 11.9358 -19.5361 49.2628 in (null):H-9999 (6) other bump:1.99682 Ang NE2(32) at 13.5414 -19.2629 50.4181 in (null):H-9999 (4) and CE1(49) at 11.9358 -19.5361 49.2628 in (null):H-9999 (6) other bump:3.17164 Ang CE1(31) at 14.2635 -18.3943 51.0897 in (null):H-9999 (4) and CE1(49) at 11.9358 -19.5361 49.2628 in (null):H-9999 (6) other bump:2.90043 Ang CD2(29) at 12.3213 -19.4766 51.0181 in (null):H-9999 (4) and ND1(48) at 11.7011 -18.6513 48.3076 in (null):H-9999 (6) other bump:2.17869 Ang NE2(32) at 13.5414 -19.2629 50.4181 in (null):H-9999 (4) and CD2(47) at 13.8419 -19.0754 48.2684 in (null):H-9999 (6) Number of specific fragments= 1 total=798 # 2kauB.4.4 read from T0147_twice.t2k.frag # found chain 2kauB in template set T0147_twice 4 :VDLHMHTVA 2kauB 5 :EYHVKPGQI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.56473 Ang O(51) at 49.15 97.811 118.71 in (null):H-9999 (6) and CG2(56) at 47.786 97.0505 118.613 in (null):T-9999 (7) neighbor-bump: 2.54433 Ang C(52) at 50.193 97.515 119.294 in (null):H-9999 (6) and CG2(56) at 47.786 97.0505 118.613 in (null):T-9999 (7) neighbor-bump: 2.31504 Ang O(51) at 49.15 97.811 118.71 in (null):H-9999 (6) and CB(55) at 48.3068 95.6668 118.935 in (null):T-9999 (7) neighbor-bump: 2.66504 Ang C(52) at 50.193 97.515 119.294 in (null):H-9999 (6) and CB(55) at 48.3068 95.6668 118.935 in (null):T-9999 (7) Number of specific fragments= 1 total=799 # 1fwcB.4.4 read from T0147_twice.t2k.frag # found chain 1fwcB in template set T0147_twice 4 :VDLHMHTVA 1fwcB 5 :EYHVKPGQI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.66007 Ang O(51) at 49.081 97.973 118.736 in (null):H-9999 (6) and CG2(56) at 47.8176 96.9758 118.329 in (null):T-9999 (7) neighbor-bump: 2.58048 Ang C(52) at 50.128 97.622 119.28 in (null):H-9999 (6) and CG2(56) at 47.8176 96.9758 118.329 in (null):T-9999 (7) Number of specific fragments= 1 total=800 # 1ejrB.4.4 read from T0147_twice.t2k.frag # found chain 1ejrB in template set T0147_twice 4 :VDLHMHTVA 1ejrB 2005 :EYHVKPGQI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.58395 Ang O(51) at 48.987 97.791 118.534 in (null):H-9999 (6) and CG2(56) at 47.673 96.9422 118.286 in (null):T-9999 (7) neighbor-bump: 2.5554 Ang C(52) at 50.016 97.493 119.144 in (null):H-9999 (6) and CG2(56) at 47.673 96.9422 118.286 in (null):T-9999 (7) neighbor-bump: 2.69032 Ang C(52) at 50.016 97.493 119.144 in (null):H-9999 (6) and CB(55) at 48.1886 95.5745 118.677 in (null):T-9999 (7) Number of specific fragments= 1 total=801 # 1afrA.4.4 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 4 :VDLHMHTVA 1afrA 23 :EVHVQVTHS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=802 # 1et0A.4.4 read from T0147_twice.t2k.frag # adding 1et0A to template set 1et0A:# found chain 1et0A in template set T0147_twice 4 :VDLHMHTVA 1et0A 11 :NGHKQESLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=803 # 1fnf.5.5 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 5 :DLHMHTVAS 1fnf 1147 :TNLHLEANP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.00569 Ang CD2(22) at 12.3213 -19.4766 51.0181 in (null):H-9999 (3) and NE2(43) at 13.2293 -19.8106 49.2612 in (null):H-9999 (5) other bump:2.53355 Ang CE1(24) at 14.2635 -18.3943 51.0897 in (null):H-9999 (3) and NE2(43) at 13.2293 -19.8106 49.2612 in (null):H-9999 (5) other bump:1.31752 Ang NE2(25) at 13.5414 -19.2629 50.4181 in (null):H-9999 (3) and NE2(43) at 13.2293 -19.8106 49.2612 in (null):H-9999 (5) other bump:1.7981 Ang CD2(22) at 12.3213 -19.4766 51.0181 in (null):H-9999 (3) and CE1(42) at 11.9358 -19.5361 49.2628 in (null):H-9999 (5) other bump:3.17163 Ang CE1(24) at 14.2635 -18.3943 51.0897 in (null):H-9999 (3) and CE1(42) at 11.9358 -19.5361 49.2628 in (null):H-9999 (5) other bump:1.99682 Ang NE2(25) at 13.5414 -19.2629 50.4181 in (null):H-9999 (3) and CE1(42) at 11.9358 -19.5361 49.2628 in (null):H-9999 (5) other bump:2.90042 Ang CD2(22) at 12.3213 -19.4766 51.0181 in (null):H-9999 (3) and ND1(41) at 11.7011 -18.6513 48.3076 in (null):H-9999 (5) other bump:2.17869 Ang NE2(25) at 13.5414 -19.2629 50.4181 in (null):H-9999 (3) and CD2(40) at 13.8419 -19.0754 48.2684 in (null):H-9999 (5) Number of specific fragments= 1 total=804 # 1qs0A.5.5 read from T0147_twice.t2k.frag # adding 1qs0A to template set 1qs0A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # found chain 1qs0A in template set T0147_twice 5 :DLHMHTVAS 1qs0A 7 :LRLHVPEPT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=805 # 1h70A.5.5 read from T0147_twice.t2k.frag # adding 1h70A to template set 1h70A:# found chain 1h70A in template set T0147_twice 5 :DLHMHTVAS 1h70A 5 :IIARTPARS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79292 Ang CG2(57) at 36.7956 6.09491 10.5485 in (null):V-9999 (7) and OG(68) at 38.219 6.142 8.146 in (null):S-9999 (9) Number of specific fragments= 1 total=806 # 1afrA.5.7 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 5 :DLHMHTVAS 1afrA 26 :VQVTHSMPP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.73975 Ang CG(31) at 59.004 33.0297 -8.98678 in (null):M-9999 (4) and NE2(43) at 61.095 32.258 -10.58 in (null):H-9999 (5) neighbor-bump: 2.41403 Ang CG(31) at 59.004 33.0297 -8.98678 in (null):M-9999 (4) and CD2(40) at 60.551 33.505 -10.778 in (null):H-9999 (5) neighbor-bump: 3.03346 Ang SD(32) at 58.6069 31.4363 -9.709 in (null):M-9999 (4) and CD2(40) at 60.551 33.505 -10.778 in (null):H-9999 (5) Number of specific fragments= 1 total=807 # 1fo5A.5.5 read from T0147_twice.t2k.frag # adding 1fo5A to template set 1fo5A:# found chain 1fo5A in template set T0147_twice 5 :DLHMHTVAS 1fo5A 5 :IELFTSPMC Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35599 Ang CA(66) at -9.056 9.62 -12.392 in (null):S-9999 (9) and CB(67) at -8.29596 9.86979 -13.4868 in (null):S-9999 (9) other bump:2.93201 Ang CE1(42) at -4.22611 4.61454 -4.62445 in (null):H-9999 (5) and CG2(57) at -5.1545 6.27374 -6.85644 in (null):V-9999 (7) other bump:2.57052 Ang ND1(41) at -3.70204 5.81423 -4.78599 in (null):H-9999 (5) and CG2(57) at -5.1545 6.27374 -6.85644 in (null):V-9999 (7) other bump:1.97022 Ang CE1(24) at -5.07329 2.76092 -2.51027 in (null):H-9999 (3) and NE2(43) at -4.10251 4.24497 -3.36874 in (null):H-9999 (5) other bump:0.961046 Ang NE2(25) at -3.99202 3.44509 -2.84759 in (null):H-9999 (3) and NE2(43) at -4.10251 4.24497 -3.36874 in (null):H-9999 (5) other bump:2.01901 Ang CD2(22) at -3.1285 3.46957 -1.77925 in (null):H-9999 (3) and NE2(43) at -4.10251 4.24497 -3.36874 in (null):H-9999 (5) other bump:2.93655 Ang CE1(24) at -5.07329 2.76092 -2.51027 in (null):H-9999 (3) and CE1(42) at -4.22611 4.61454 -4.62445 in (null):H-9999 (5) other bump:2.14 Ang NE2(25) at -3.99202 3.44509 -2.84759 in (null):H-9999 (3) and CE1(42) at -4.22611 4.61454 -4.62445 in (null):H-9999 (5) other bump:1.90097 Ang NE2(25) at -3.99202 3.44509 -2.84759 in (null):H-9999 (3) and CD2(40) at -3.4356 5.25612 -2.6919 in (null):H-9999 (5) other bump:2.02953 Ang CD2(22) at -3.1285 3.46957 -1.77925 in (null):H-9999 (3) and CD2(40) at -3.4356 5.25612 -2.6919 in (null):H-9999 (5) Number of specific fragments= 1 total=808 # 1et0A.5.5 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 5 :DLHMHTVAS 1et0A 12 :GHKQESLAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=809 # 1afrA.6.8 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 6 :LHMHTVAST 1afrA 27 :QVTHSMPPQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.73975 Ang CG(23) at 59.004 33.0297 -8.98678 in (null):M-9999 (3) and NE2(35) at 61.095 32.258 -10.58 in (null):H-9999 (4) neighbor-bump: 2.41403 Ang CG(23) at 59.004 33.0297 -8.98678 in (null):M-9999 (3) and CD2(32) at 60.551 33.505 -10.778 in (null):H-9999 (4) neighbor-bump: 3.03346 Ang SD(24) at 58.6069 31.4363 -9.709 in (null):M-9999 (3) and CD2(32) at 60.551 33.505 -10.778 in (null):H-9999 (4) Number of specific fragments= 1 total=810 # 1fnf.6.6 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 6 :LHMHTVAST 1fnf 1148 :NLHLEANPD Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.00569 Ang CD2(14) at 12.3213 -19.4766 51.0181 in (null):H-9999 (2) and NE2(35) at 13.2293 -19.8106 49.2612 in (null):H-9999 (4) other bump:2.53354 Ang CE1(16) at 14.2635 -18.3943 51.0897 in (null):H-9999 (2) and NE2(35) at 13.2293 -19.8106 49.2612 in (null):H-9999 (4) other bump:1.31752 Ang NE2(17) at 13.5414 -19.2629 50.4181 in (null):H-9999 (2) and NE2(35) at 13.2293 -19.8106 49.2612 in (null):H-9999 (4) other bump:1.7981 Ang CD2(14) at 12.3213 -19.4766 51.0181 in (null):H-9999 (2) and CE1(34) at 11.9358 -19.5361 49.2628 in (null):H-9999 (4) other bump:3.17163 Ang CE1(16) at 14.2635 -18.3943 51.0897 in (null):H-9999 (2) and CE1(34) at 11.9358 -19.5361 49.2628 in (null):H-9999 (4) other bump:1.99682 Ang NE2(17) at 13.5414 -19.2629 50.4181 in (null):H-9999 (2) and CE1(34) at 11.9358 -19.5361 49.2628 in (null):H-9999 (4) other bump:2.90042 Ang CD2(14) at 12.3213 -19.4766 51.0181 in (null):H-9999 (2) and ND1(33) at 11.7011 -18.6513 48.3076 in (null):H-9999 (4) other bump:2.17869 Ang NE2(17) at 13.5414 -19.2629 50.4181 in (null):H-9999 (2) and CD2(32) at 13.8419 -19.0754 48.2684 in (null):H-9999 (4) Number of specific fragments= 1 total=811 # 1fo5A.6.6 read from T0147_twice.t2k.frag # found chain 1fo5A in template set T0147_twice 6 :LHMHTVAST 1fo5A 6 :ELFTSPMCP Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.29363 Ang CG1(48) at -6.72431 6.67452 -8.76155 in (null):V-9999 (6) and O(68) at -8.398 5.534 -9.838 in (null):T-9999 (9) self-bump: 1.35598 Ang CA(58) at -9.056 9.62 -12.392 in (null):S-9999 (8) and CB(59) at -8.29596 9.86978 -13.4868 in (null):S-9999 (8) other bump:2.57052 Ang ND1(33) at -3.70204 5.81423 -4.78599 in (null):H-9999 (4) and CG2(49) at -5.1545 6.27374 -6.85644 in (null):V-9999 (6) other bump:2.93201 Ang CE1(34) at -4.22611 4.61454 -4.62445 in (null):H-9999 (4) and CG2(49) at -5.1545 6.27374 -6.85644 in (null):V-9999 (6) other bump:2.01901 Ang CD2(14) at -3.1285 3.46957 -1.77925 in (null):H-9999 (2) and NE2(35) at -4.10251 4.24497 -3.36874 in (null):H-9999 (4) other bump:1.97023 Ang CE1(16) at -5.07329 2.76092 -2.51027 in (null):H-9999 (2) and NE2(35) at -4.10251 4.24497 -3.36874 in (null):H-9999 (4) other bump:0.961048 Ang NE2(17) at -3.99202 3.44509 -2.84759 in (null):H-9999 (2) and NE2(35) at -4.10251 4.24497 -3.36874 in (null):H-9999 (4) other bump:2.93656 Ang CE1(16) at -5.07329 2.76092 -2.51027 in (null):H-9999 (2) and CE1(34) at -4.22611 4.61454 -4.62445 in (null):H-9999 (4) other bump:2.14 Ang NE2(17) at -3.99202 3.44509 -2.84759 in (null):H-9999 (2) and CE1(34) at -4.22611 4.61454 -4.62445 in (null):H-9999 (4) other bump:2.02953 Ang CD2(14) at -3.1285 3.46957 -1.77925 in (null):H-9999 (2) and CD2(32) at -3.4356 5.25612 -2.6919 in (null):H-9999 (4) other bump:1.90097 Ang NE2(17) at -3.99202 3.44509 -2.84759 in (null):H-9999 (2) and CD2(32) at -3.4356 5.25612 -2.6919 in (null):H-9999 (4) Number of specific fragments= 1 total=812 # 1h70A.6.6 read from T0147_twice.t2k.frag # found chain 1h70A in template set T0147_twice 6 :LHMHTVAST 1h70A 6 :IARTPARSL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79523 Ang CG2(41) at 34.0476 9.10322 13.4463 in (null):T-9999 (5) and OG1(67) at 34.6616 10.3821 11.0378 in (null):T-9999 (9) other bump:2.79292 Ang CG2(49) at 36.7957 6.09491 10.5485 in (null):V-9999 (6) and OG(60) at 38.219 6.142 8.146 in (null):S-9999 (8) Number of specific fragments= 1 total=813 # 1et0A.6.6 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 6 :LHMHTVAST 1et0A 13 :HKQESLAVS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=814 # 1koe.6.6 read from T0147_twice.t2k.frag # found chain 1koe in training set T0147_twice 6 :LHMHTVAST 1koe 144 :VALNTPLSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=815 # 1afrA.7.9 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 7 :HMHTVASTH 1afrA 28 :VTHSMPPQK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01228 Ang CB(46) at 67.17 43.022 -12.34 in (null):A-9999 (6) and CD2(66) at 69.9064 43.8529 -11.3937 in (null):H-9999 (9) neighbor-bump: 2.73975 Ang CG(15) at 59.004 33.0297 -8.98679 in (null):M-9999 (2) and NE2(27) at 61.095 32.258 -10.58 in (null):H-9999 (3) neighbor-bump: 2.41403 Ang CG(15) at 59.004 33.0297 -8.98679 in (null):M-9999 (2) and CD2(24) at 60.551 33.505 -10.778 in (null):H-9999 (3) neighbor-bump: 3.03346 Ang SD(16) at 58.6069 31.4363 -9.70901 in (null):M-9999 (2) and CD2(24) at 60.551 33.505 -10.778 in (null):H-9999 (3) Number of specific fragments= 1 total=816 # 1koe.7.7 read from T0147_twice.t2k.frag # found chain 1koe in training set T0147_twice 7 :HMHTVASTH 1koe 145 :ALNTPLSGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=817 # 1fo5A.7.7 read from T0147_twice.t2k.frag # found chain 1fo5A in template set T0147_twice 7 :HMHTVASTH 1fo5A 7 :LFTSPMCPH Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.29363 Ang CG1(40) at -6.72431 6.67452 -8.76155 in (null):V-9999 (5) and O(60) at -8.398 5.534 -9.838 in (null):T-9999 (8) self-bump: 1.35598 Ang CA(50) at -9.056 9.62 -12.392 in (null):S-9999 (7) and CB(51) at -8.29596 9.86978 -13.4868 in (null):S-9999 (7) neighbor-bump: 2.31223 Ang O(18) at -0.348 7.681 -1.335 in (null):M-9999 (2) and ND1(25) at -0.537737 6.14966 -3.05703 in (null):H-9999 (3) self-bump: 1.39539 Ang CA(3) at -2.096 3.298 1.093 in (null):H-9999 (1) and CB(4) at -2.87121 2.41657 0.338523 in (null):H-9999 (1) Number of specific fragments= 1 total=818 # 1fnf.7.7 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 7 :HMHTVASTH 1fnf 1149 :LHLEANPDT Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72894 Ang CG2(41) at 16.5274 -15.9865 39.4662 in (null):V-9999 (5) and ND1(67) at 17.4067 -17.0546 37.1139 in (null):H-9999 (9) other bump:2.00569 Ang CD2(6) at 12.3213 -19.4766 51.0181 in (null):H-9999 (1) and NE2(27) at 13.2293 -19.8106 49.2612 in (null):H-9999 (3) other bump:1.31751 Ang NE2(9) at 13.5414 -19.2629 50.4181 in (null):H-9999 (1) and NE2(27) at 13.2293 -19.8106 49.2612 in (null):H-9999 (3) other bump:2.53353 Ang CE1(8) at 14.2635 -18.3943 51.0897 in (null):H-9999 (1) and NE2(27) at 13.2293 -19.8106 49.2612 in (null):H-9999 (3) other bump:1.79809 Ang CD2(6) at 12.3213 -19.4766 51.0181 in (null):H-9999 (1) and CE1(26) at 11.9358 -19.5361 49.2628 in (null):H-9999 (3) other bump:1.99681 Ang NE2(9) at 13.5414 -19.2629 50.4181 in (null):H-9999 (1) and CE1(26) at 11.9358 -19.5361 49.2628 in (null):H-9999 (3) other bump:3.17162 Ang CE1(8) at 14.2635 -18.3943 51.0897 in (null):H-9999 (1) and CE1(26) at 11.9358 -19.5361 49.2628 in (null):H-9999 (3) other bump:2.90041 Ang CD2(6) at 12.3213 -19.4766 51.0181 in (null):H-9999 (1) and ND1(25) at 11.7011 -18.6513 48.3076 in (null):H-9999 (3) other bump:2.17868 Ang NE2(9) at 13.5414 -19.2629 50.4181 in (null):H-9999 (1) and CD2(24) at 13.8419 -19.0754 48.2684 in (null):H-9999 (3) Number of specific fragments= 1 total=819 # 1et0A.7.7 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 7 :HMHTVASTH 1et0A 14 :KQESLAVSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=820 # 1afrA.7.7 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 7 :HMHTVASTH 1afrA 26 :VQVTHSMPP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=821 # 1koe.8.8 read from T0147_twice.t2k.frag # found chain 1koe in training set T0147_twice 8 :MHTVASTHA 1koe 146 :LNTPLSGGM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=822 # 1afrA.8.10 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 8 :MHTVASTHA 1afrA 29 :THSMPPQKI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01228 Ang CB(36) at 67.17 43.022 -12.34 in (null):A-9999 (5) and CD2(56) at 69.9064 43.8529 -11.3937 in (null):H-9999 (8) neighbor-bump: 2.73976 Ang CG(5) at 59.004 33.0297 -8.98678 in (null):M-9999 (1) and NE2(17) at 61.095 32.258 -10.58 in (null):H-9999 (2) neighbor-bump: 3.03347 Ang SD(6) at 58.6069 31.4363 -9.70901 in (null):M-9999 (1) and CD2(14) at 60.551 33.505 -10.778 in (null):H-9999 (2) neighbor-bump: 2.41404 Ang CG(5) at 59.004 33.0297 -8.98678 in (null):M-9999 (1) and CD2(14) at 60.551 33.505 -10.778 in (null):H-9999 (2) Number of specific fragments= 1 total=823 # 1fnf.8.8 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 8 :MHTVASTHA 1fnf 1150 :HLEANPDTG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.33876 Ang CA(63) at 22.861 -13.912 38.659 in (null):A-9999 (9) and CB(64) at 23.7577 -12.9877 38.2931 in (null):A-9999 (9) Number of specific fragments= 1 total=824 # 1lkyA.8.10 read from T0147_twice.t2k.frag # adding 1lkyA to template set 1lkyA:# found chain 1lkyA in template set T0147_twice 8 :MHTVASTHA 1lkyA 25 :QPIYWSRDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=825 # 1fo5A.8.8 read from T0147_twice.t2k.frag # found chain 1fo5A in template set T0147_twice 8 :MHTVASTHA 1fo5A 8 :FTSPMCPHC Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.29363 Ang CG1(30) at -6.72431 6.67452 -8.76155 in (null):V-9999 (4) and O(50) at -8.398 5.534 -9.838 in (null):T-9999 (7) self-bump: 1.35598 Ang CA(40) at -9.056 9.62 -12.392 in (null):S-9999 (6) and CB(41) at -8.29596 9.86978 -13.4868 in (null):S-9999 (6) neighbor-bump: 2.31223 Ang O(8) at -0.348 7.681 -1.335 in (null):M-9999 (1) and ND1(15) at -0.537736 6.14966 -3.05703 in (null):H-9999 (2) Number of specific fragments= 1 total=826 # 1afrA.8.8 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 8 :MHTVASTHA 1afrA 27 :QVTHSMPPQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=827 # 1fnf.9.9 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 9 :HTVASTHAY 1fnf 1151 :LEANPDTGV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.33876 Ang CA(55) at 22.861 -13.912 38.659 in (null):A-9999 (8) and CB(56) at 23.7577 -12.9877 38.2931 in (null):A-9999 (8) Number of specific fragments= 1 total=828 # 1koe.9.9 read from T0147_twice.t2k.frag # found chain 1koe in training set T0147_twice 9 :HTVASTHAY 1koe 147 :NTPLSGGMR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=829 # 1afrA.9.9 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 9 :HTVASTHAY 1afrA 28 :VTHSMPPQK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.14373 Ang OG1(41) at 67.8264 43.4615 -12.4538 in (null):T-9999 (6) and CE1(65) at 69.142 44.8156 -11.4382 in (null):Y-9999 (9) other bump:1.95778 Ang OG1(41) at 67.8264 43.4615 -12.4538 in (null):T-9999 (6) and CD1(63) at 69.347 43.4525 -11.2206 in (null):Y-9999 (9) Number of specific fragments= 1 total=830 # 1lkyA.9.11 read from T0147_twice.t2k.frag # found chain 1lkyA in template set T0147_twice 9 :HTVASTHAY 1lkyA 26 :PIYWSRDDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=831 # 1arv.9.7 read from T0147_twice.t2k.frag # adding 1arv to template set 1arv:# found chain 1arv in template set T0147_twice 11 :VASTHAY 1arv 10 :VTCPGGQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.15708 Ang O(35) at 47.31 16.453 52.019 in (null):H-9999 (5) and CB(39) at 49.1475 17.3995 52.636 in (null):A-9999 (6) neighbor-bump: 2.49618 Ang C(36) at 46.731 16.898 53.01 in (null):H-9999 (5) and CB(39) at 49.1475 17.3995 52.636 in (null):A-9999 (6) Number of specific fragments= 1 total=832 # 1aru.9.7 read from T0147_twice.t2k.frag # found chain 1aru in training set T0147_twice 11 :VASTHAY 1aru 10 :VTCPGGQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.16446 Ang O(35) at 47.477 16.314 52.014 in (null):H-9999 (5) and CB(39) at 49.2258 17.4331 52.6258 in (null):A-9999 (6) neighbor-bump: 2.48219 Ang C(36) at 46.84 16.827 52.945 in (null):H-9999 (5) and CB(39) at 49.2258 17.4331 52.6258 in (null):A-9999 (6) Number of specific fragments= 1 total=833 # 1fnf.10.10 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 10 :TVASTHAYS 1fnf 1152 :EANPDTGVL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.33876 Ang CA(45) at 22.861 -13.912 38.659 in (null):A-9999 (7) and CB(46) at 23.7577 -12.9877 38.2931 in (null):A-9999 (7) Number of specific fragments= 1 total=834 # 1e7wA.10.10 read from T0147_twice.t2k.frag # adding 1e7wA to template set 1e7wA:Skipped atom 205, because occupancy 0.5 <= existing 0.500001 Skipped atom 206, because occupancy 0.5 <= existing 0.500001 Skipped atom 1034, because occupancy 0.5 <= existing 0.500001 Skipped atom 1035, because occupancy 0.5 <= existing 0.500001 Skipped atom 1036, because occupancy 0.5 <= existing 0.500001 Skipped atom 1037, because occupancy 0.5 <= existing 0.500001 Skipped atom 1038, because occupancy 0.5 <= existing 0.500001 Skipped atom 1039, because occupancy 0.5 <= existing 0.500001 Skipped atom 1040, because occupancy 0.5 <= existing 0.500001 # found chain 1e7wA in template set T0147_twice 10 :TVASTHAYS 1e7wA 8 :VALVTGAAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=835 # 1fo5A.10.10 read from T0147_twice.t2k.frag # found chain 1fo5A in template set T0147_twice 10 :TVASTHAYS 1fo5A 10 :SPMCPHCPA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.26229 Ang CA(62) at -6.34 0.767 -3.892 in (null):S-9999 (9) and CB(63) at -5.81218 1.85778 -3.53847 in (null):S-9999 (9) other bump:2.29363 Ang CG1(12) at -6.72432 6.67452 -8.76155 in (null):V-9999 (2) and O(32) at -8.398 5.534 -9.838 in (null):T-9999 (5) self-bump: 1.35598 Ang CA(22) at -9.056 9.62 -12.392 in (null):S-9999 (4) and CB(23) at -8.29596 9.86978 -13.4868 in (null):S-9999 (4) Number of specific fragments= 1 total=836 # 1g7tA.10.10 read from T0147_twice.t2k.frag # adding 1g7tA to template set 1g7tA:# found chain 1g7tA in template set T0147_twice 10 :TVASTHAYS 1g7tA 11 :LGHVDHGKT Fragment has 43 clashes (null) has 43 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.95763 Ang O(7) at -2.607 -4.012 -7.016 in (null):T-9999 (1) and OH(58) at -2.07069 -2.87787 -8.51881 in (null):Y-9999 (8) other bump:1.77151 Ang CA(10) at -3.17 -3.687 -9.648 in (null):V-9999 (2) and OH(58) at -2.07069 -2.87787 -8.51881 in (null):Y-9999 (8) other bump:2.62763 Ang CB(11) at -4.39939 -4.07639 -8.7313 in (null):V-9999 (2) and OH(58) at -2.07069 -2.87787 -8.51881 in (null):Y-9999 (8) other bump:0.415553 Ang N(9) at -2.239 -2.854 -8.898 in (null):V-9999 (2) and OH(58) at -2.07069 -2.87787 -8.51881 in (null):Y-9999 (8) other bump:2.86698 Ang C(15) at -3.675 -2.995 -10.892 in (null):V-9999 (2) and OH(58) at -2.07069 -2.87787 -8.51881 in (null):Y-9999 (8) other bump:2.83482 Ang CB(4) at 0.313576 -3.05098 -6.99515 in (null):T-9999 (1) and OH(58) at -2.07069 -2.87787 -8.51881 in (null):Y-9999 (8) other bump:2.76516 Ang CG2(5) at 0.667573 -3.25944 -8.46973 in (null):T-9999 (1) and OH(58) at -2.07069 -2.87787 -8.51881 in (null):Y-9999 (8) other bump:0.943489 Ang C(8) at -2.06 -3.092 -7.6 in (null):T-9999 (1) and OH(58) at -2.07069 -2.87787 -8.51881 in (null):Y-9999 (8) other bump:2.05423 Ang CA(3) at -1.081 -2.203 -6.85 in (null):T-9999 (1) and OH(58) at -2.07069 -2.87787 -8.51881 in (null):Y-9999 (8) other bump:2.13356 Ang O(7) at -2.607 -4.012 -7.016 in (null):T-9999 (1) and CZ(57) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (8) other bump:2.28032 Ang CA(10) at -3.17 -3.687 -9.648 in (null):V-9999 (2) and CZ(57) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (8) other bump:2.43737 Ang CB(11) at -4.39939 -4.07639 -8.7313 in (null):V-9999 (2) and CZ(57) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (8) other bump:2.90897 Ang CG1(12) at -4.06967 -4.86508 -7.47681 in (null):V-9999 (2) and CZ(57) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (8) other bump:1.45709 Ang N(9) at -2.239 -2.854 -8.898 in (null):V-9999 (2) and CZ(57) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (8) other bump:2.226 Ang CG2(13) at -5.19385 -2.81376 -8.37067 in (null):V-9999 (2) and CZ(57) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (8) other bump:3.10637 Ang C(15) at -3.675 -2.995 -10.892 in (null):V-9999 (2) and CZ(57) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (8) other bump:1.44421 Ang C(8) at -2.06 -3.092 -7.6 in (null):T-9999 (1) and CZ(57) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (8) other bump:2.30726 Ang CA(3) at -1.081 -2.203 -6.85 in (null):T-9999 (1) and CZ(57) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (8) other bump:2.96758 Ang CA(10) at -3.17 -3.687 -9.648 in (null):V-9999 (2) and CE2(56) at -3.45096 -0.952608 -8.52966 in (null):Y-9999 (8) other bump:2.28469 Ang N(9) at -2.239 -2.854 -8.898 in (null):V-9999 (2) and CE2(56) at -3.45096 -0.952608 -8.52966 in (null):Y-9999 (8) other bump:2.55477 Ang CG2(13) at -5.19385 -2.81376 -8.37067 in (null):V-9999 (2) and CE2(56) at -3.45096 -0.952608 -8.52966 in (null):Y-9999 (8) other bump:2.66795 Ang O(14) at -3.476 -1.792 -11.062 in (null):V-9999 (2) and CE2(56) at -3.45096 -0.952608 -8.52966 in (null):Y-9999 (8) other bump:3.13085 Ang C(15) at -3.675 -2.995 -10.892 in (null):V-9999 (2) and CE2(56) at -3.45096 -0.952608 -8.52966 in (null):Y-9999 (8) other bump:2.71588 Ang C(8) at -2.06 -3.092 -7.6 in (null):T-9999 (1) and CE2(56) at -3.45096 -0.952608 -8.52966 in (null):Y-9999 (8) other bump:3.16251 Ang CA(3) at -1.081 -2.203 -6.85 in (null):T-9999 (1) and CE2(56) at -3.45096 -0.952608 -8.52966 in (null):Y-9999 (8) other bump:1.80725 Ang O(7) at -2.607 -4.012 -7.016 in (null):T-9999 (1) and CE1(55) at -3.76024 -2.63361 -6.82563 in (null):Y-9999 (8) other bump:3.06982 Ang CA(10) at -3.17 -3.687 -9.648 in (null):V-9999 (2) and CE1(55) at -3.76024 -2.63361 -6.82563 in (null):Y-9999 (8) other bump:2.47422 Ang CB(11) at -4.39939 -4.07639 -8.7313 in (null):V-9999 (2) and CE1(55) at -3.76024 -2.63361 -6.82563 in (null):Y-9999 (8) other bump:2.34505 Ang CG1(12) at -4.06967 -4.86508 -7.47681 in (null):V-9999 (2) and CE1(55) at -3.76024 -2.63361 -6.82563 in (null):Y-9999 (8) other bump:2.58021 Ang N(9) at -2.239 -2.854 -8.898 in (null):V-9999 (2) and CE1(55) at -3.76024 -2.63361 -6.82563 in (null):Y-9999 (8) other bump:2.11539 Ang CG2(13) at -5.19385 -2.81376 -8.37067 in (null):V-9999 (2) and CE1(55) at -3.76024 -2.63361 -6.82563 in (null):Y-9999 (8) other bump:1.92369 Ang C(8) at -2.06 -3.092 -7.6 in (null):T-9999 (1) and CE1(55) at -3.76024 -2.63361 -6.82563 in (null):Y-9999 (8) other bump:2.71373 Ang CA(3) at -1.081 -2.203 -6.85 in (null):T-9999 (1) and CE1(55) at -3.76024 -2.63361 -6.82563 in (null):Y-9999 (8) other bump:3.23103 Ang C(1) at -1.762 -1.16 -4.758 in (null):G-9999 (0) and CE1(55) at -3.76024 -2.63361 -6.82563 in (null):Y-9999 (8) other bump:2.81181 Ang N(2) at -1.352 -2.235 -5.43 in (null):T-9999 (1) and CE1(55) at -3.76024 -2.63361 -6.82563 in (null):Y-9999 (8) other bump:2.76713 Ang CG2(13) at -5.19385 -2.81376 -8.37067 in (null):V-9999 (2) and CD2(54) at -4.45559 -0.177086 -7.97077 in (null):Y-9999 (8) other bump:2.37661 Ang CG2(13) at -5.19385 -2.81376 -8.37067 in (null):V-9999 (2) and CD1(53) at -4.74348 -1.8382 -6.25083 in (null):Y-9999 (8) other bump:2.69402 Ang CG2(13) at -5.19385 -2.81376 -8.37067 in (null):V-9999 (2) and CG(52) at -5.07333 -0.617484 -6.81516 in (null):Y-9999 (8) neighbor-bump: 1.58387 Ang O(42) at -10.133 -4.667 -7.855 in (null):H-9999 (6) and CB(46) at -10.5337 -3.84057 -6.56462 in (null):A-9999 (7) neighbor-bump: 2.16731 Ang C(43) at -9.907 -3.742 -8.637 in (null):H-9999 (6) and CB(46) at -10.5337 -3.84057 -6.56462 in (null):A-9999 (7) self-bump: 1.27154 Ang CA(22) at -7.234 -0.306 -13.74 in (null):S-9999 (4) and CB(23) at -7.50268 0.768589 -14.3644 in (null):S-9999 (4) neighbor-bump: 1.75485 Ang O(7) at -2.607 -4.012 -7.016 in (null):T-9999 (1) and CG1(12) at -4.06967 -4.86508 -7.47681 in (null):V-9999 (2) neighbor-bump: 2.68286 Ang C(8) at -2.06 -3.092 -7.6 in (null):T-9999 (1) and CG1(12) at -4.06967 -4.86508 -7.47681 in (null):V-9999 (2) Number of specific fragments= 1 total=837 # 1koe.10.10 read from T0147_twice.t2k.frag # found chain 1koe in training set T0147_twice 10 :TVASTHAYS 1koe 148 :TPLSGGMRG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=838 # 1aru.10.8 read from T0147_twice.t2k.frag # found chain 1aru in training set T0147_twice 11 :VASTHAYS 1aru 10 :VTCPGGQS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.16446 Ang O(35) at 47.477 16.314 52.014 in (null):H-9999 (5) and CB(39) at 49.2258 17.4331 52.6258 in (null):A-9999 (6) neighbor-bump: 2.48219 Ang C(36) at 46.84 16.827 52.945 in (null):H-9999 (5) and CB(39) at 49.2258 17.4331 52.6258 in (null):A-9999 (6) Number of specific fragments= 1 total=839 # 1fnf.11.11 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 11 :VASTHAYST 1fnf 1153 :ANPDTGVLT Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.65053 Ang CE2(49) at 19.4188 -9.68985 45.0226 in (null):Y-9999 (7) and OG1(64) at 18.256 -10.309 46.017 in (null):T-9999 (9) other bump:2.07436 Ang CZ(50) at 20.2868 -9.89088 46.0802 in (null):Y-9999 (7) and OG1(64) at 18.256 -10.309 46.017 in (null):T-9999 (9) other bump:2.19061 Ang OH(51) at 19.8524 -9.63154 47.3555 in (null):Y-9999 (7) and OG1(64) at 18.256 -10.309 46.017 in (null):T-9999 (9) other bump:3.06396 Ang CE2(49) at 19.4188 -9.68985 45.0226 in (null):Y-9999 (7) and CB(62) at 17.505 -11.043 46.996 in (null):T-9999 (9) other bump:2.76252 Ang OH(51) at 19.8524 -9.63154 47.3555 in (null):Y-9999 (7) and CB(62) at 17.505 -11.043 46.996 in (null):T-9999 (9) self-bump: 1.33876 Ang CA(38) at 22.861 -13.912 38.659 in (null):A-9999 (6) and CB(39) at 23.7577 -12.9877 38.2931 in (null):A-9999 (6) Number of specific fragments= 1 total=840 # 1e7wA.11.11 read from T0147_twice.t2k.frag # found chain 1e7wA in template set T0147_twice 11 :VASTHAYST 1e7wA 9 :ALVTGAAKR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.51773 Ang CG2(63) at 18.7137 4.90793 1.37633 in (null):T-9999 (9) and N(67) at 17.016 6.756 1.173 in (null):G-9999 (10) self-bump: 1.30141 Ang CA(61) at 19.228 6.883 0.131 in (null):T-9999 (9) and CB(62) at 19.5671 6.13953 1.14389 in (null):T-9999 (9) Number of specific fragments= 1 total=841 # 1g7tA.11.11 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 11 :VASTHAYST 1g7tA 12 :GHVDHGKTT Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.77151 Ang CA(3) at -3.17 -3.687 -9.648 in (null):V-9999 (1) and OH(51) at -2.07069 -2.87787 -8.51881 in (null):Y-9999 (7) other bump:2.62763 Ang CB(4) at -4.39939 -4.07639 -8.7313 in (null):V-9999 (1) and OH(51) at -2.07069 -2.87787 -8.51881 in (null):Y-9999 (7) other bump:1.95763 Ang O(0) at -2.607 -4.012 -7.016 in (null):G-9999 (0) and OH(51) at -2.07069 -2.87787 -8.51881 in (null):Y-9999 (7) other bump:0.943489 Ang C(1) at -2.06 -3.092 -7.6 in (null):G-9999 (0) and OH(51) at -2.07069 -2.87787 -8.51881 in (null):Y-9999 (7) other bump:0.415553 Ang N(2) at -2.239 -2.854 -8.898 in (null):V-9999 (1) and OH(51) at -2.07069 -2.87787 -8.51881 in (null):Y-9999 (7) other bump:2.86698 Ang C(8) at -3.675 -2.995 -10.892 in (null):V-9999 (1) and OH(51) at -2.07069 -2.87787 -8.51881 in (null):Y-9999 (7) other bump:2.28032 Ang CA(3) at -3.17 -3.687 -9.648 in (null):V-9999 (1) and CZ(50) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (7) other bump:2.43737 Ang CB(4) at -4.39939 -4.07639 -8.7313 in (null):V-9999 (1) and CZ(50) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (7) other bump:2.13356 Ang O(0) at -2.607 -4.012 -7.016 in (null):G-9999 (0) and CZ(50) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (7) other bump:1.44421 Ang C(1) at -2.06 -3.092 -7.6 in (null):G-9999 (0) and CZ(50) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (7) other bump:2.90897 Ang CG1(5) at -4.06967 -4.86508 -7.47681 in (null):V-9999 (1) and CZ(50) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (7) other bump:1.45709 Ang N(2) at -2.239 -2.854 -8.898 in (null):V-9999 (1) and CZ(50) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (7) other bump:2.226 Ang CG2(6) at -5.19385 -2.81376 -8.37067 in (null):V-9999 (1) and CZ(50) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (7) other bump:3.10637 Ang C(8) at -3.675 -2.995 -10.892 in (null):V-9999 (1) and CZ(50) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (7) other bump:2.96758 Ang CA(3) at -3.17 -3.687 -9.648 in (null):V-9999 (1) and CE2(49) at -3.45096 -0.952608 -8.52966 in (null):Y-9999 (7) other bump:2.71588 Ang C(1) at -2.06 -3.092 -7.6 in (null):G-9999 (0) and CE2(49) at -3.45096 -0.952608 -8.52966 in (null):Y-9999 (7) other bump:2.28469 Ang N(2) at -2.239 -2.854 -8.898 in (null):V-9999 (1) and CE2(49) at -3.45096 -0.952608 -8.52966 in (null):Y-9999 (7) other bump:2.55477 Ang CG2(6) at -5.19385 -2.81376 -8.37067 in (null):V-9999 (1) and CE2(49) at -3.45096 -0.952608 -8.52966 in (null):Y-9999 (7) other bump:2.66795 Ang O(7) at -3.476 -1.792 -11.062 in (null):V-9999 (1) and CE2(49) at -3.45096 -0.952608 -8.52966 in (null):Y-9999 (7) other bump:3.13085 Ang C(8) at -3.675 -2.995 -10.892 in (null):V-9999 (1) and CE2(49) at -3.45096 -0.952608 -8.52966 in (null):Y-9999 (7) other bump:3.06982 Ang CA(3) at -3.17 -3.687 -9.648 in (null):V-9999 (1) and CE1(48) at -3.76024 -2.63361 -6.82563 in (null):Y-9999 (7) other bump:2.47421 Ang CB(4) at -4.39939 -4.07639 -8.7313 in (null):V-9999 (1) and CE1(48) at -3.76024 -2.63361 -6.82563 in (null):Y-9999 (7) other bump:1.80725 Ang O(0) at -2.607 -4.012 -7.016 in (null):G-9999 (0) and CE1(48) at -3.76024 -2.63361 -6.82563 in (null):Y-9999 (7) other bump:1.92369 Ang C(1) at -2.06 -3.092 -7.6 in (null):G-9999 (0) and CE1(48) at -3.76024 -2.63361 -6.82563 in (null):Y-9999 (7) other bump:2.34505 Ang CG1(5) at -4.06967 -4.86508 -7.47681 in (null):V-9999 (1) and CE1(48) at -3.76024 -2.63361 -6.82563 in (null):Y-9999 (7) other bump:2.58021 Ang N(2) at -2.239 -2.854 -8.898 in (null):V-9999 (1) and CE1(48) at -3.76024 -2.63361 -6.82563 in (null):Y-9999 (7) other bump:2.11539 Ang CG2(6) at -5.19385 -2.81376 -8.37067 in (null):V-9999 (1) and CE1(48) at -3.76024 -2.63361 -6.82563 in (null):Y-9999 (7) other bump:2.76713 Ang CG2(6) at -5.19385 -2.81376 -8.37067 in (null):V-9999 (1) and CD2(47) at -4.45559 -0.177086 -7.97077 in (null):Y-9999 (7) other bump:2.37661 Ang CG2(6) at -5.19385 -2.81376 -8.37067 in (null):V-9999 (1) and CD1(46) at -4.74348 -1.8382 -6.25083 in (null):Y-9999 (7) other bump:2.69402 Ang CG2(6) at -5.19385 -2.81376 -8.37067 in (null):V-9999 (1) and CG(45) at -5.07333 -0.617484 -6.81516 in (null):Y-9999 (7) neighbor-bump: 2.16731 Ang C(36) at -9.907 -3.742 -8.637 in (null):H-9999 (5) and CB(39) at -10.5337 -3.84057 -6.56462 in (null):A-9999 (6) neighbor-bump: 1.58387 Ang O(35) at -10.133 -4.667 -7.855 in (null):H-9999 (5) and CB(39) at -10.5337 -3.84057 -6.56462 in (null):A-9999 (6) self-bump: 1.27154 Ang CA(15) at -7.234 -0.306 -13.74 in (null):S-9999 (3) and CB(16) at -7.50268 0.768589 -14.3644 in (null):S-9999 (3) neighbor-bump: 1.75485 Ang O(0) at -2.607 -4.012 -7.016 in (null):G-9999 (0) and CG1(5) at -4.06967 -4.86508 -7.47681 in (null):V-9999 (1) neighbor-bump: 2.68286 Ang C(1) at -2.06 -3.092 -7.6 in (null):G-9999 (0) and CG1(5) at -4.06967 -4.86508 -7.47681 in (null):V-9999 (1) Number of specific fragments= 1 total=842 # 1g7sA.11.11 read from T0147_twice.t2k.frag # adding 1g7sA to template set 1g7sA:# found chain 1g7sA in template set T0147_twice 11 :VASTHAYST 1g7sA 12 :GHVDHGKTT Fragment has 40 clashes (null) has 40 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.902517 Ang CA(3) at 18.051 28.076 21.982 in (null):V-9999 (1) and OH(51) at 17.8738 27.848 22.8371 in (null):Y-9999 (7) other bump:1.03771 Ang CB(4) at 16.9024 27.4849 22.8735 in (null):V-9999 (1) and OH(51) at 17.8738 27.848 22.8371 in (null):Y-9999 (7) other bump:1.92878 Ang O(0) at 18.378 27.93 24.697 in (null):G-9999 (0) and OH(51) at 17.8738 27.848 22.8371 in (null):Y-9999 (7) other bump:1.78564 Ang CG1(5) at 17.3441 26.6908 24.0896 in (null):V-9999 (1) and OH(51) at 17.8738 27.848 22.8371 in (null):Y-9999 (7) other bump:1.51544 Ang N(2) at 18.913 28.948 22.755 in (null):V-9999 (1) and OH(51) at 17.8738 27.848 22.8371 in (null):Y-9999 (7) other bump:2.112 Ang CG2(6) at 15.9635 28.6232 23.2956 in (null):V-9999 (1) and OH(51) at 17.8738 27.848 22.8371 in (null):Y-9999 (7) other bump:2.31439 Ang C(8) at 17.479 28.744 20.74 in (null):V-9999 (1) and OH(51) at 17.8738 27.848 22.8371 in (null):Y-9999 (7) other bump:1.9195 Ang C(1) at 18.982 28.808 24.076 in (null):G-9999 (0) and OH(51) at 17.8738 27.848 22.8371 in (null):Y-9999 (7) other bump:1.88557 Ang CA(3) at 18.051 28.076 21.982 in (null):V-9999 (1) and CZ(50) at 17.0529 28.7852 23.416 in (null):Y-9999 (7) other bump:1.4169 Ang CB(4) at 16.9024 27.4849 22.8735 in (null):V-9999 (1) and CZ(50) at 17.0529 28.7852 23.416 in (null):Y-9999 (7) other bump:2.03179 Ang O(0) at 18.378 27.93 24.697 in (null):G-9999 (0) and CZ(50) at 17.0529 28.7852 23.416 in (null):Y-9999 (7) other bump:2.21919 Ang CG1(5) at 17.3441 26.6908 24.0896 in (null):V-9999 (1) and CZ(50) at 17.0529 28.7852 23.416 in (null):Y-9999 (7) other bump:1.98073 Ang N(2) at 18.913 28.948 22.755 in (null):V-9999 (1) and CZ(50) at 17.0529 28.7852 23.416 in (null):Y-9999 (7) other bump:1.10799 Ang CG2(6) at 15.9635 28.6232 23.2956 in (null):V-9999 (1) and CZ(50) at 17.0529 28.7852 23.416 in (null):Y-9999 (7) other bump:2.71 Ang C(8) at 17.479 28.744 20.74 in (null):V-9999 (1) and CZ(50) at 17.0529 28.7852 23.416 in (null):Y-9999 (7) other bump:2.039 Ang C(1) at 18.982 28.808 24.076 in (null):G-9999 (0) and CZ(50) at 17.0529 28.7852 23.416 in (null):Y-9999 (7) other bump:3.10622 Ang CA(3) at 18.051 28.076 21.982 in (null):V-9999 (1) and CE2(49) at 16.9869 28.845 24.7971 in (null):Y-9999 (7) other bump:2.35737 Ang CB(4) at 16.9024 27.4849 22.8735 in (null):V-9999 (1) and CE2(49) at 16.9869 28.845 24.7971 in (null):Y-9999 (7) other bump:1.66805 Ang O(0) at 18.378 27.93 24.697 in (null):G-9999 (0) and CE2(49) at 16.9869 28.845 24.7971 in (null):Y-9999 (7) other bump:2.29533 Ang CG1(5) at 17.3441 26.6908 24.0896 in (null):V-9999 (1) and CE2(49) at 16.9869 28.845 24.7971 in (null):Y-9999 (7) other bump:2.80906 Ang N(2) at 18.913 28.948 22.755 in (null):V-9999 (1) and CE2(49) at 16.9869 28.845 24.7971 in (null):Y-9999 (7) other bump:1.83064 Ang CG2(6) at 15.9635 28.6232 23.2956 in (null):V-9999 (1) and CE2(49) at 16.9869 28.845 24.7971 in (null):Y-9999 (7) other bump:2.12176 Ang C(1) at 18.982 28.808 24.076 in (null):G-9999 (0) and CE2(49) at 16.9869 28.845 24.7971 in (null):Y-9999 (7) other bump:2.43676 Ang CA(3) at 18.051 28.076 21.982 in (null):V-9999 (1) and CE1(48) at 16.3378 29.679 22.6401 in (null):Y-9999 (7) other bump:2.27754 Ang CB(4) at 16.9024 27.4849 22.8735 in (null):V-9999 (1) and CE1(48) at 16.3378 29.679 22.6401 in (null):Y-9999 (7) other bump:2.67941 Ang N(2) at 18.913 28.948 22.755 in (null):V-9999 (1) and CE1(48) at 16.3378 29.679 22.6401 in (null):Y-9999 (7) other bump:1.29782 Ang CG2(6) at 15.9635 28.6232 23.2956 in (null):V-9999 (1) and CE1(48) at 16.3378 29.679 22.6401 in (null):Y-9999 (7) other bump:2.33409 Ang O(7) at 17.475 29.965 20.622 in (null):V-9999 (1) and CE1(48) at 16.3378 29.679 22.6401 in (null):Y-9999 (7) other bump:2.40564 Ang C(8) at 17.479 28.744 20.74 in (null):V-9999 (1) and CE1(48) at 16.3378 29.679 22.6401 in (null):Y-9999 (7) other bump:3.13243 Ang C(1) at 18.982 28.808 24.076 in (null):G-9999 (0) and CE1(48) at 16.3378 29.679 22.6401 in (null):Y-9999 (7) other bump:2.44489 Ang CG2(6) at 15.9635 28.6232 23.2956 in (null):V-9999 (1) and CD2(47) at 16.1967 29.8209 25.4143 in (null):Y-9999 (7) other bump:2.08645 Ang CG2(6) at 15.9635 28.6232 23.2956 in (null):V-9999 (1) and CD1(46) at 15.5397 30.666 23.2689 in (null):Y-9999 (7) other bump:2.56994 Ang CG2(6) at 15.9635 28.6232 23.2956 in (null):V-9999 (1) and CG(45) at 15.4639 30.7408 24.6634 in (null):Y-9999 (7) neighbor-bump: 2.21261 Ang C(36) at 11.134 27.499 22.734 in (null):H-9999 (5) and CB(39) at 10.5837 27.3035 24.8682 in (null):A-9999 (6) neighbor-bump: 1.64429 Ang O(35) at 10.937 26.537 23.457 in (null):H-9999 (5) and CB(39) at 10.5837 27.3035 24.8682 in (null):A-9999 (6) neighbor-bump: 2.63069 Ang C(19) at 12.563 30.387 18.182 in (null):S-9999 (3) and CB(22) at 10.0029 30.1187 17.6392 in (null):T-9999 (4) self-bump: 2.17046 Ang CB(16) at 13.4917 32.3231 17.8656 in (null):S-9999 (3) and C(19) at 12.563 30.387 18.182 in (null):S-9999 (3) self-bump: 1.24792 Ang CA(15) at 13.876 31.153 18.067 in (null):S-9999 (3) and CB(16) at 13.4917 32.3231 17.8656 in (null):S-9999 (3) neighbor-bump: 1.7244 Ang O(0) at 18.378 27.93 24.697 in (null):G-9999 (0) and CG1(5) at 17.3441 26.6908 24.0896 in (null):V-9999 (1) neighbor-bump: 2.67684 Ang C(1) at 18.982 28.808 24.076 in (null):G-9999 (0) and CG1(5) at 17.3441 26.6908 24.0896 in (null):V-9999 (1) Number of specific fragments= 1 total=843 # 1nxb.11.14 read from T0147_twice.t2k.frag # adding 1nxb to template set 1nxb:# found chain 1nxb in template set T0147_twice 11 :VASTHAY 1nxb 15 :KTCSPGE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 1.88833 Ang C(13) at 39.226 6.218 16.684 in (null):A-9999 (2) and CA(15) at 39.65 7.99 17.18 in (null):S-9999 (3) neighbor-bump: 1.93209 Ang O(12) at 39.899 6.175 15.637 in (null):A-9999 (2) and N(14) at 39.2 6.7 17.36 in (null):S-9999 (3) neighbor-bump: 1.9134 Ang CA(10) at 38.441 5.003 16.907 in (null):A-9999 (2) and N(14) at 39.2 6.7 17.36 in (null):S-9999 (3) neighbor-bump: 0.830648 Ang C(13) at 39.226 6.218 16.684 in (null):A-9999 (2) and N(14) at 39.2 6.7 17.36 in (null):S-9999 (3) Number of specific fragments= 1 total=844 # 2nmbA.11.11 read from T0147_twice.t2k.frag # adding 2nmbA to template set 2nmbA:# found chain 2nmbA in template set T0147_twice 13 :STHAYST 2nmbA 65 :KPHQWQA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.74361 Ang CB(10) at -17.1501 12.9575 -11.8523 in (null):T-9999 (2) and OG(45) at -15.0039 11.4673 -12.6892 in (null):S-9999 (6) other bump:2.47773 Ang CG2(11) at -16.4921 13.3948 -13.1465 in (null):T-9999 (2) and OG(45) at -15.0039 11.4673 -12.6892 in (null):S-9999 (6) other bump:2.04294 Ang OG1(12) at -16.6496 11.6407 -11.4912 in (null):T-9999 (2) and OG(45) at -15.0039 11.4673 -12.6892 in (null):S-9999 (6) neighbor-bump: 2.71236 Ang CG2(11) at -16.4921 13.3948 -13.1465 in (null):T-9999 (2) and N(15) at -15.051 14.938 -11.444 in (null):H-9999 (3) self-bump: 1.32079 Ang CA(9) at -17.122 13.831 -10.862 in (null):T-9999 (2) and CB(10) at -17.1501 12.9575 -11.8523 in (null):T-9999 (2) neighbor-bump: 2.71088 Ang C(1) at -15.091 14.991 -6.144 in (null):G-9999 (0) and OG(5) at -17.2969 16.1973 -7.15776 in (null):S-9999 (1) neighbor-bump: 2.06232 Ang O(0) at -15.266 15.911 -6.942 in (null):G-9999 (0) and OG(5) at -17.2969 16.1973 -7.15776 in (null):S-9999 (1) Number of specific fragments= 1 total=845 # 1e7wA.12.12 read from T0147_twice.t2k.frag # found chain 1e7wA in template set T0147_twice 12 :ASTHAYSTL 1e7wA 10 :LVTGAAKRL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.51772 Ang CG2(56) at 18.7137 4.90794 1.37634 in (null):T-9999 (8) and N(60) at 17.016 6.756 1.173 in (null):L-9999 (9) self-bump: 1.30141 Ang CA(54) at 19.228 6.883 0.131 in (null):T-9999 (8) and CB(55) at 19.5671 6.13953 1.1439 in (null):T-9999 (8) Number of specific fragments= 1 total=846 # 1g7tA.12.12 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 12 :ASTHAYSTL 1g7tA 13 :HVDHGKTTL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86698 Ang C(1) at -3.675 -2.995 -10.892 in (null):G-9999 (0) and OH(44) at -2.07069 -2.87787 -8.51881 in (null):Y-9999 (6) other bump:3.10637 Ang C(1) at -3.675 -2.995 -10.892 in (null):G-9999 (0) and CZ(43) at -3.10664 -2.16192 -7.95389 in (null):Y-9999 (6) other bump:2.66795 Ang O(0) at -3.476 -1.792 -11.062 in (null):G-9999 (0) and CE2(42) at -3.45096 -0.952608 -8.52966 in (null):Y-9999 (6) other bump:3.13085 Ang C(1) at -3.675 -2.995 -10.892 in (null):G-9999 (0) and CE2(42) at -3.45096 -0.952608 -8.52966 in (null):Y-9999 (6) neighbor-bump: 1.58387 Ang O(28) at -10.133 -4.667 -7.855 in (null):H-9999 (4) and CB(32) at -10.5337 -3.84057 -6.56462 in (null):A-9999 (5) neighbor-bump: 2.16731 Ang C(29) at -9.907 -3.742 -8.637 in (null):H-9999 (4) and CB(32) at -10.5337 -3.84057 -6.56462 in (null):A-9999 (5) self-bump: 1.27154 Ang CA(8) at -7.234 -0.306 -13.74 in (null):S-9999 (2) and CB(9) at -7.50268 0.768589 -14.3644 in (null):S-9999 (2) Number of specific fragments= 1 total=847 # 1g7sA.12.12 read from T0147_twice.t2k.frag # found chain 1g7sA in template set T0147_twice 12 :ASTHAYSTL 1g7sA 13 :HVDHGKTTL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31439 Ang C(1) at 17.479 28.744 20.74 in (null):G-9999 (0) and OH(44) at 17.8738 27.848 22.8371 in (null):Y-9999 (6) other bump:2.71 Ang C(1) at 17.479 28.744 20.74 in (null):G-9999 (0) and CZ(43) at 17.0529 28.7852 23.416 in (null):Y-9999 (6) other bump:2.33409 Ang O(0) at 17.475 29.965 20.622 in (null):G-9999 (0) and CE1(41) at 16.3378 29.679 22.6401 in (null):Y-9999 (6) other bump:2.40564 Ang C(1) at 17.479 28.744 20.74 in (null):G-9999 (0) and CE1(41) at 16.3378 29.679 22.6401 in (null):Y-9999 (6) neighbor-bump: 1.64429 Ang O(28) at 10.937 26.537 23.457 in (null):H-9999 (4) and CB(32) at 10.5837 27.3035 24.8682 in (null):A-9999 (5) neighbor-bump: 2.21261 Ang C(29) at 11.134 27.499 22.734 in (null):H-9999 (4) and CB(32) at 10.5837 27.3035 24.8682 in (null):A-9999 (5) neighbor-bump: 2.63069 Ang C(12) at 12.563 30.387 18.182 in (null):S-9999 (2) and CB(15) at 10.0029 30.1187 17.6392 in (null):T-9999 (3) self-bump: 2.17046 Ang CB(9) at 13.4917 32.3231 17.8656 in (null):S-9999 (2) and C(12) at 12.563 30.387 18.182 in (null):S-9999 (2) self-bump: 1.24792 Ang CA(8) at 13.876 31.153 18.067 in (null):S-9999 (2) and CB(9) at 13.4917 32.3231 17.8656 in (null):S-9999 (2) Number of specific fragments= 1 total=848 # 1fnf.12.12 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 12 :ASTHAYSTL 1fnf 1154 :NPDTGVLTV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.65053 Ang CE2(42) at 19.4188 -9.68985 45.0226 in (null):Y-9999 (6) and OG1(57) at 18.256 -10.309 46.017 in (null):T-9999 (8) other bump:2.07436 Ang CZ(43) at 20.2868 -9.89088 46.0802 in (null):Y-9999 (6) and OG1(57) at 18.256 -10.309 46.017 in (null):T-9999 (8) other bump:2.19061 Ang OH(44) at 19.8524 -9.63154 47.3555 in (null):Y-9999 (6) and OG1(57) at 18.256 -10.309 46.017 in (null):T-9999 (8) other bump:3.06396 Ang CE2(42) at 19.4188 -9.68985 45.0226 in (null):Y-9999 (6) and CB(55) at 17.505 -11.043 46.996 in (null):T-9999 (8) other bump:2.76252 Ang OH(44) at 19.8524 -9.63154 47.3555 in (null):Y-9999 (6) and CB(55) at 17.505 -11.043 46.996 in (null):T-9999 (8) self-bump: 1.33876 Ang CA(31) at 22.861 -13.912 38.659 in (null):A-9999 (5) and CB(32) at 23.7577 -12.9877 38.2931 in (null):A-9999 (5) Number of specific fragments= 1 total=849 # 1add.12.12 read from T0147_twice.t2k.frag # found chain 1add in template set T0147_twice 12 :ASTHAYSTL 1add 16 :VHLDGAIKP Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75769 Ang CB(4) at 4.959 26.54 30.077 in (null):A-9999 (1) and OH(44) at 3.09744 24.5596 30.5433 in (null):Y-9999 (6) other bump:2.58232 Ang CA(3) at 4.945 26.07 31.53 in (null):A-9999 (1) and OH(44) at 3.09744 24.5596 30.5433 in (null):Y-9999 (6) other bump:2.85608 Ang CB(4) at 4.959 26.54 30.077 in (null):A-9999 (1) and CZ(43) at 3.96102 23.8896 29.7075 in (null):Y-9999 (6) other bump:3.0073 Ang CA(3) at 4.945 26.07 31.53 in (null):A-9999 (1) and CZ(43) at 3.96102 23.8896 29.7075 in (null):Y-9999 (6) other bump:2.36304 Ang CB(4) at 4.959 26.54 30.077 in (null):A-9999 (1) and CE2(42) at 5.30634 24.2308 29.7153 in (null):Y-9999 (6) other bump:2.60889 Ang CA(3) at 4.945 26.07 31.53 in (null):A-9999 (1) and CE2(42) at 5.30634 24.2308 29.7153 in (null):Y-9999 (6) other bump:2.46828 Ang C(6) at 6.17 25.229 31.801 in (null):A-9999 (1) and CE2(42) at 5.30634 24.2308 29.7153 in (null):Y-9999 (6) other bump:2.48594 Ang N(7) at 5.963 23.946 32.096 in (null):S-9999 (2) and CE2(42) at 5.30634 24.2308 29.7153 in (null):Y-9999 (6) other bump:2.2938 Ang O(11) at 7.102 21.969 30.273 in (null):S-9999 (2) and CD2(40) at 6.19349 23.5513 28.8829 in (null):Y-9999 (6) other bump:2.90816 Ang C(12) at 7.749 22.555 31.129 in (null):S-9999 (2) and CD2(40) at 6.19349 23.5513 28.8829 in (null):Y-9999 (6) other bump:2.15996 Ang OG(10) at 7.98959 21.4887 33.966 in (null):S-9999 (2) and CE1(26) at 9.01 19.7361 34.7094 in (null):H-9999 (4) Number of specific fragments= 1 total=850 # 1a4mA.12.12 read from T0147_twice.t2k.frag # found chain 1a4mA in template set T0147_twice 12 :ASTHAYSTL 1a4mA 16 :VHLDGAIKP Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42299 Ang CB(4) at 34.16 27.571 48.712 in (null):A-9999 (1) and OH(44) at 34.1316 25.7673 50.3296 in (null):Y-9999 (6) other bump:2.45759 Ang CA(3) at 35.642 27.115 48.936 in (null):A-9999 (1) and OH(44) at 34.1316 25.7673 50.3296 in (null):Y-9999 (6) other bump:2.64717 Ang CB(4) at 34.16 27.571 48.712 in (null):A-9999 (1) and CZ(43) at 33.5425 25.0656 49.303 in (null):Y-9999 (6) other bump:2.9568 Ang CA(3) at 35.642 27.115 48.936 in (null):A-9999 (1) and CZ(43) at 33.5425 25.0656 49.303 in (null):Y-9999 (6) other bump:2.28397 Ang CB(4) at 34.16 27.571 48.712 in (null):A-9999 (1) and CE2(42) at 33.8186 25.4303 47.9926 in (null):Y-9999 (6) other bump:2.5909 Ang C(6) at 36.234 26.334 47.744 in (null):A-9999 (1) and CE2(42) at 33.8186 25.4303 47.9926 in (null):Y-9999 (6) other bump:2.52223 Ang N(7) at 36.302 25.002 47.889 in (null):S-9999 (2) and CE2(42) at 33.8186 25.4303 47.9926 in (null):Y-9999 (6) other bump:2.65574 Ang CA(3) at 35.642 27.115 48.936 in (null):A-9999 (1) and CE2(42) at 33.8186 25.4303 47.9926 in (null):Y-9999 (6) other bump:2.43549 Ang O(11) at 34.819 22.942 46.422 in (null):S-9999 (2) and CD2(40) at 33.2383 24.7198 46.9437 in (null):Y-9999 (6) other bump:2.98969 Ang C(12) at 35.793 23.524 45.953 in (null):S-9999 (2) and CD2(40) at 33.2383 24.7198 46.9437 in (null):Y-9999 (6) other bump:2.17266 Ang OG(10) at 38.6285 22.5349 46.397 in (null):S-9999 (2) and CE1(26) at 39.7258 20.8345 45.6063 in (null):H-9999 (4) other bump:2.63664 Ang OG(10) at 38.6285 22.5349 46.397 in (null):S-9999 (2) and ND1(25) at 38.9071 20.6246 44.6012 in (null):H-9999 (4) Number of specific fragments= 1 total=851 # 1e7wA.13.13 read from T0147_twice.t2k.frag # found chain 1e7wA in template set T0147_twice 13 :STHAYSTLS 1e7wA 11 :VTGAAKRLG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.25614 Ang O(23) at 16.533 12.984 1.506 in (null):H-9999 (3) and OG(66) at 14.9409 11.5425 2.19706 in (null):S-9999 (9) other bump:3.14818 Ang CA(26) at 15.827 13.952 -1.01 in (null):A-9999 (4) and CB(65) at 15.286 11.4458 0.816851 in (null):S-9999 (9) other bump:2.09664 Ang O(23) at 16.533 12.984 1.506 in (null):H-9999 (3) and CB(65) at 15.286 11.4458 0.816851 in (null):S-9999 (9) other bump:2.98348 Ang C(24) at 16.248 14.212 1.386 in (null):H-9999 (3) and CB(65) at 15.286 11.4458 0.816851 in (null):S-9999 (9) neighbor-bump: 2.51772 Ang CG2(51) at 18.7137 4.90794 1.37634 in (null):T-9999 (7) and N(55) at 17.016 6.756 1.173 in (null):L-9999 (8) self-bump: 1.30141 Ang CA(49) at 19.228 6.883 0.131 in (null):T-9999 (7) and CB(50) at 19.5671 6.13953 1.1439 in (null):T-9999 (7) Number of specific fragments= 1 total=852 # 1g7tA.13.13 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 13 :STHAYSTLS 1g7tA 14 :VDHGKTTLL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.58387 Ang O(23) at -10.133 -4.667 -7.855 in (null):H-9999 (3) and CB(27) at -10.5337 -3.84057 -6.56462 in (null):A-9999 (4) neighbor-bump: 2.16731 Ang C(24) at -9.907 -3.742 -8.637 in (null):H-9999 (3) and CB(27) at -10.5337 -3.84057 -6.56462 in (null):A-9999 (4) Number of specific fragments= 1 total=853 # 1g7sA.13.13 read from T0147_twice.t2k.frag # found chain 1g7sA in template set T0147_twice 13 :STHAYSTLS 1g7sA 14 :VDHGKTTLL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.64429 Ang O(23) at 10.937 26.537 23.457 in (null):H-9999 (3) and CB(27) at 10.5837 27.3035 24.8682 in (null):A-9999 (4) neighbor-bump: 2.21261 Ang C(24) at 11.134 27.499 22.734 in (null):H-9999 (3) and CB(27) at 10.5837 27.3035 24.8682 in (null):A-9999 (4) neighbor-bump: 2.63069 Ang C(7) at 12.563 30.387 18.182 in (null):S-9999 (1) and CB(10) at 10.0029 30.1187 17.6392 in (null):T-9999 (2) Number of specific fragments= 1 total=854 # 1add.13.13 read from T0147_twice.t2k.frag # found chain 1add in template set T0147_twice 13 :STHAYSTLS 1add 17 :HLDGAIKPE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46828 Ang C(1) at 6.17 25.229 31.801 in (null):G-9999 (0) and CE2(37) at 5.30634 24.2308 29.7153 in (null):Y-9999 (5) other bump:2.48594 Ang N(2) at 5.963 23.946 32.096 in (null):S-9999 (1) and CE2(37) at 5.30634 24.2308 29.7153 in (null):Y-9999 (5) other bump:2.2938 Ang O(6) at 7.102 21.969 30.273 in (null):S-9999 (1) and CD2(35) at 6.19349 23.5513 28.8829 in (null):Y-9999 (5) other bump:2.90816 Ang C(7) at 7.749 22.555 31.129 in (null):S-9999 (1) and CD2(35) at 6.19349 23.5513 28.8829 in (null):Y-9999 (5) other bump:2.22445 Ang OG(5) at 7.64522 20.9698 33.459 in (null):S-9999 (1) and CE1(21) at 9.01 19.7361 34.7094 in (null):H-9999 (3) other bump:2.62357 Ang OG(5) at 7.64522 20.9698 33.459 in (null):S-9999 (1) and ND1(20) at 9.79019 19.4761 33.6855 in (null):H-9999 (3) Number of specific fragments= 1 total=855 # 1a4mA.13.13 read from T0147_twice.t2k.frag # found chain 1a4mA in template set T0147_twice 13 :STHAYSTLS 1a4mA 17 :HLDGAIKPE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5909 Ang C(1) at 36.234 26.334 47.744 in (null):G-9999 (0) and CE2(37) at 33.8186 25.4303 47.9926 in (null):Y-9999 (5) other bump:2.52223 Ang N(2) at 36.302 25.002 47.889 in (null):S-9999 (1) and CE2(37) at 33.8186 25.4303 47.9926 in (null):Y-9999 (5) other bump:2.43549 Ang O(6) at 34.819 22.942 46.422 in (null):S-9999 (1) and CD2(35) at 33.2383 24.7198 46.9437 in (null):Y-9999 (5) other bump:2.98969 Ang C(7) at 35.793 23.524 45.953 in (null):S-9999 (1) and CD2(35) at 33.2383 24.7198 46.9437 in (null):Y-9999 (5) other bump:2.27947 Ang OG(5) at 38.0674 22.0118 46.6358 in (null):S-9999 (1) and CE1(21) at 39.7258 20.8345 45.6063 in (null):H-9999 (3) other bump:2.60173 Ang OG(5) at 38.0674 22.0118 46.6358 in (null):S-9999 (1) and ND1(20) at 38.9071 20.6246 44.6012 in (null):H-9999 (3) Number of specific fragments= 1 total=856 # 1fnf.13.13 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 13 :STHAYSTLS 1fnf 1155 :PDTGVLTVS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.65053 Ang CE2(37) at 19.4188 -9.68985 45.0226 in (null):Y-9999 (5) and OG1(52) at 18.256 -10.309 46.017 in (null):T-9999 (7) other bump:2.19061 Ang OH(39) at 19.8524 -9.63154 47.3555 in (null):Y-9999 (5) and OG1(52) at 18.256 -10.309 46.017 in (null):T-9999 (7) other bump:2.07436 Ang CZ(38) at 20.2868 -9.89088 46.0802 in (null):Y-9999 (5) and OG1(52) at 18.256 -10.309 46.017 in (null):T-9999 (7) other bump:3.06396 Ang CE2(37) at 19.4188 -9.68985 45.0226 in (null):Y-9999 (5) and CB(50) at 17.505 -11.043 46.996 in (null):T-9999 (7) other bump:2.76252 Ang OH(39) at 19.8524 -9.63154 47.3555 in (null):Y-9999 (5) and CB(50) at 17.505 -11.043 46.996 in (null):T-9999 (7) self-bump: 1.33876 Ang CA(26) at 22.861 -13.912 38.659 in (null):A-9999 (4) and CB(27) at 23.7577 -12.9877 38.2931 in (null):A-9999 (4) Number of specific fragments= 1 total=857 # 1add.14.14 read from T0147_twice.t2k.frag # found chain 1add in template set T0147_twice 14 :THAYSTLSD 1add 18 :LDGAIKPET Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2938 Ang O(0) at 7.102 21.969 30.273 in (null):G-9999 (0) and CD2(29) at 6.19349 23.5513 28.8829 in (null):Y-9999 (4) other bump:2.90816 Ang C(1) at 7.749 22.555 31.129 in (null):G-9999 (0) and CD2(29) at 6.19349 23.5513 28.8829 in (null):Y-9999 (4) Number of specific fragments= 1 total=858 # 1a4mA.14.14 read from T0147_twice.t2k.frag # found chain 1a4mA in template set T0147_twice 14 :THAYSTLSD 1a4mA 18 :LDGAIKPET Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43549 Ang O(0) at 34.819 22.942 46.422 in (null):G-9999 (0) and CD2(29) at 33.2383 24.7198 46.9437 in (null):Y-9999 (4) other bump:2.98969 Ang C(1) at 35.793 23.524 45.953 in (null):G-9999 (0) and CD2(29) at 33.2383 24.7198 46.9437 in (null):Y-9999 (4) Number of specific fragments= 1 total=859 # 1g7tA.14.14 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 14 :THAYSTLSD 1g7tA 15 :DHGKTTLLD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.58387 Ang O(17) at -10.133 -4.667 -7.855 in (null):H-9999 (2) and CB(21) at -10.5337 -3.84057 -6.56462 in (null):A-9999 (3) neighbor-bump: 2.16731 Ang C(18) at -9.907 -3.742 -8.637 in (null):H-9999 (2) and CB(21) at -10.5337 -3.84057 -6.56462 in (null):A-9999 (3) Number of specific fragments= 1 total=860 # 1g7sA.14.14 read from T0147_twice.t2k.frag # found chain 1g7sA in template set T0147_twice 14 :THAYSTLSD 1g7sA 15 :DHGKTTLLD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.64429 Ang O(17) at 10.937 26.537 23.457 in (null):H-9999 (2) and CB(21) at 10.5837 27.3035 24.8682 in (null):A-9999 (3) neighbor-bump: 2.21261 Ang C(18) at 11.134 27.499 22.734 in (null):H-9999 (2) and CB(21) at 10.5837 27.3035 24.8682 in (null):A-9999 (3) Number of specific fragments= 1 total=861 # 1e7wA.14.14 read from T0147_twice.t2k.frag # found chain 1e7wA in template set T0147_twice 14 :THAYSTLSD 1e7wA 12 :TGAAKRLGR Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.25613 Ang O(17) at 16.533 12.984 1.506 in (null):H-9999 (2) and OG(60) at 14.9409 11.5425 2.19706 in (null):S-9999 (8) other bump:2.09664 Ang O(17) at 16.533 12.984 1.506 in (null):H-9999 (2) and CB(59) at 15.286 11.4458 0.816852 in (null):S-9999 (8) other bump:2.98348 Ang C(18) at 16.248 14.212 1.386 in (null):H-9999 (2) and CB(59) at 15.286 11.4458 0.816852 in (null):S-9999 (8) other bump:3.14818 Ang CA(20) at 15.827 13.952 -1.01 in (null):A-9999 (3) and CB(59) at 15.286 11.4458 0.816852 in (null):S-9999 (8) neighbor-bump: 2.51772 Ang CG2(45) at 18.7137 4.90794 1.37634 in (null):T-9999 (6) and N(49) at 17.016 6.756 1.173 in (null):L-9999 (7) self-bump: 1.30141 Ang CA(43) at 19.228 6.883 0.131 in (null):T-9999 (6) and CB(44) at 19.5671 6.13953 1.1439 in (null):T-9999 (6) Number of specific fragments= 1 total=862 # 1fezA.14.15 read from T0147_twice.t2k.frag # adding 1fezA to template set 1fezA:# found chain 1fezA in template set T0147_twice 14 :THAYSTLSD 1fezA 20 :YGCFAPLEV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48886 Ang CB(11) at 20.6993 14.8561 79.7552 in (null):H-9999 (2) and CE1(30) at 18.4446 14.291 78.8655 in (null):Y-9999 (4) other bump:2.7677 Ang CG(12) at 20.2507 16.2723 79.553 in (null):H-9999 (2) and CE1(30) at 18.4446 14.291 78.8655 in (null):Y-9999 (4) other bump:2.38956 Ang ND1(14) at 19.1446 16.5742 78.7838 in (null):H-9999 (2) and CE1(30) at 18.4446 14.291 78.8655 in (null):Y-9999 (4) other bump:3.22049 Ang ND1(14) at 19.1446 16.5742 78.7838 in (null):H-9999 (2) and CD1(28) at 18.7314 13.5822 77.6664 in (null):Y-9999 (4) Number of specific fragments= 1 total=863 # 1add.15.15 read from T0147_twice.t2k.frag # found chain 1add in template set T0147_twice 15 :HAYSTLSDY 1add 19 :DGAIKPETI Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.15119 Ang OG(32) at 7.91536 15.7922 25.8818 in (null):S-9999 (4) and OH(73) at 8.86031 15.9547 26.5189 in (null):Y-9999 (9) other bump:2.82369 Ang CA(30) at 8.22 17.891 24.566 in (null):S-9999 (4) and OH(73) at 8.86031 15.9547 26.5189 in (null):Y-9999 (9) other bump:1.41637 Ang CB(31) at 8.88641 16.6347 25.2768 in (null):S-9999 (4) and OH(73) at 8.86031 15.9547 26.5189 in (null):Y-9999 (9) other bump:1.42613 Ang OG(32) at 7.91536 15.7922 25.8818 in (null):S-9999 (4) and CZ(72) at 8.94623 14.8146 25.7573 in (null):Y-9999 (9) other bump:1.88343 Ang CB(31) at 8.88641 16.6347 25.2768 in (null):S-9999 (4) and CZ(72) at 8.94623 14.8146 25.7573 in (null):Y-9999 (9) other bump:2.78305 Ang OG(32) at 7.91536 15.7922 25.8818 in (null):S-9999 (4) and CE2(71) at 9.97172 13.9217 26.0152 in (null):Y-9999 (9) other bump:3.01396 Ang CB(31) at 8.88641 16.6347 25.2768 in (null):S-9999 (4) and CE2(71) at 9.97172 13.9217 26.0152 in (null):Y-9999 (9) other bump:1.66959 Ang OG(32) at 7.91536 15.7922 25.8818 in (null):S-9999 (4) and CE1(70) at 8.0065 14.5406 24.7806 in (null):Y-9999 (9) other bump:3.15686 Ang C(34) at 7.44 17.323 23.401 in (null):S-9999 (4) and CE1(70) at 8.0065 14.5406 24.7806 in (null):Y-9999 (9) other bump:2.32504 Ang CB(31) at 8.88641 16.6347 25.2768 in (null):S-9999 (4) and CE1(70) at 8.0065 14.5406 24.7806 in (null):Y-9999 (9) Number of specific fragments= 1 total=864 # 1a4mA.15.15 read from T0147_twice.t2k.frag # found chain 1a4mA in template set T0147_twice 15 :HAYSTLSDY 1a4mA 19 :DGAIKPETI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.52903 Ang OG(32) at 31.025 16.8951 44.286 in (null):S-9999 (4) and OH(73) at 32.3976 16.478 43.7569 in (null):Y-9999 (9) other bump:2.36245 Ang CB(31) at 30.5131 17.8476 43.3642 in (null):S-9999 (4) and OH(73) at 32.3976 16.478 43.7569 in (null):Y-9999 (9) other bump:1.72191 Ang OG(32) at 31.025 16.8951 44.286 in (null):S-9999 (4) and CZ(72) at 31.5211 15.4457 43.4997 in (null):Y-9999 (9) other bump:2.60832 Ang CB(31) at 30.5131 17.8476 43.3642 in (null):S-9999 (4) and CZ(72) at 31.5211 15.4457 43.4997 in (null):Y-9999 (9) other bump:1.61821 Ang OG(32) at 31.025 16.8951 44.286 in (null):S-9999 (4) and CE1(70) at 30.2223 15.5264 43.968 in (null):Y-9999 (9) other bump:2.41594 Ang CB(31) at 30.5131 17.8476 43.3642 in (null):S-9999 (4) and CE1(70) at 30.2223 15.5264 43.968 in (null):Y-9999 (9) Number of specific fragments= 1 total=865 # 1g7tA.15.15 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 15 :HAYSTLSDY 1g7tA 16 :HGKTTLLDH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.58387 Ang O(10) at -10.133 -4.667 -7.855 in (null):H-9999 (1) and CB(14) at -10.5337 -3.84057 -6.56462 in (null):A-9999 (2) neighbor-bump: 2.16731 Ang C(11) at -9.907 -3.742 -8.637 in (null):H-9999 (1) and CB(14) at -10.5337 -3.84057 -6.56462 in (null):A-9999 (2) Number of specific fragments= 1 total=866 # 1g7sA.15.15 read from T0147_twice.t2k.frag # found chain 1g7sA in template set T0147_twice 15 :HAYSTLSDY 1g7sA 16 :HGKTTLLDH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.64429 Ang O(10) at 10.937 26.537 23.457 in (null):H-9999 (1) and CB(14) at 10.5837 27.3035 24.8682 in (null):A-9999 (2) neighbor-bump: 2.21261 Ang C(11) at 11.134 27.499 22.734 in (null):H-9999 (1) and CB(14) at 10.5837 27.3035 24.8682 in (null):A-9999 (2) Number of specific fragments= 1 total=867 # 1b4aA.15.16 read from T0147_twice.t2k.frag # adding 1b4aA to template set 1b4aA:# found chain 1b4aA in template set T0147_twice 15 :HAYSTLSDY 1b4aA 17 :NDIETQDEL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7261 Ang CG(5) at 7.32331 20.388 -1.11879 in (null):H-9999 (1) and CE1(23) at 8.04233 22.8165 -2.12732 in (null):Y-9999 (3) other bump:2.45446 Ang CB(4) at 8.77949 20.7431 -1.04012 in (null):H-9999 (1) and CE1(23) at 8.04233 22.8165 -2.12732 in (null):Y-9999 (3) other bump:2.91686 Ang CB(4) at 8.77949 20.7431 -1.04012 in (null):H-9999 (1) and CD1(21) at 9.32735 23.3312 -2.26871 in (null):Y-9999 (3) Number of specific fragments= 1 total=868 # 1e7wA.15.15 read from T0147_twice.t2k.frag # found chain 1e7wA in template set T0147_twice 15 :HAYSTLSDY 1e7wA 13 :GAAKRLGRS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.25613 Ang O(10) at 16.533 12.984 1.506 in (null):H-9999 (1) and OG(53) at 14.9409 11.5425 2.19706 in (null):S-9999 (7) other bump:2.09664 Ang O(10) at 16.533 12.984 1.506 in (null):H-9999 (1) and CB(52) at 15.286 11.4458 0.816852 in (null):S-9999 (7) other bump:2.98348 Ang C(11) at 16.248 14.212 1.386 in (null):H-9999 (1) and CB(52) at 15.286 11.4458 0.816852 in (null):S-9999 (7) other bump:3.14818 Ang CA(13) at 15.827 13.952 -1.01 in (null):A-9999 (2) and CB(52) at 15.286 11.4458 0.816852 in (null):S-9999 (7) neighbor-bump: 2.51772 Ang CG2(38) at 18.7137 4.90794 1.37634 in (null):T-9999 (5) and N(42) at 17.016 6.756 1.173 in (null):L-9999 (6) self-bump: 1.30141 Ang CA(36) at 19.228 6.883 0.131 in (null):T-9999 (5) and CB(37) at 19.5671 6.13953 1.1439 in (null):T-9999 (5) Number of specific fragments= 1 total=869 # 1b4aA.16.17 read from T0147_twice.t2k.frag # found chain 1b4aA in template set T0147_twice 16 :AYSTLSDYI 1b4aA 18 :DIETQDELV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=870 # 1add.16.16 read from T0147_twice.t2k.frag # found chain 1add in template set T0147_twice 16 :AYSTLSDYI 1add 20 :GAIKPETIL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.53533 Ang OG(22) at 7.91536 15.7922 25.8818 in (null):S-9999 (3) and CZ(62) at 9.55538 14.0568 26.7342 in (null):Y-9999 (8) other bump:2.19626 Ang CB(21) at 8.88641 16.6347 25.2768 in (null):S-9999 (3) and CE1(60) at 9.34063 14.4912 25.4273 in (null):Y-9999 (8) other bump:1.98256 Ang OG(22) at 7.91536 15.7922 25.8818 in (null):S-9999 (3) and CE1(60) at 9.34063 14.4912 25.4273 in (null):Y-9999 (8) Number of specific fragments= 1 total=871 # 1a4mA.16.16 read from T0147_twice.t2k.frag # found chain 1a4mA in template set T0147_twice 16 :AYSTLSDYI 1a4mA 20 :GAIKPETIL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15374 Ang OG(22) at 31.025 16.8951 44.286 in (null):S-9999 (3) and OH(63) at 32.8911 16.0548 43.615 in (null):Y-9999 (8) other bump:2.12688 Ang OG(22) at 31.025 16.8951 44.286 in (null):S-9999 (3) and CZ(62) at 31.8889 15.1433 43.4442 in (null):Y-9999 (8) other bump:2.2713 Ang CB(21) at 30.5131 17.8476 43.3642 in (null):S-9999 (3) and CE1(60) at 30.5713 15.5777 43.3093 in (null):Y-9999 (8) other bump:1.70158 Ang OG(22) at 31.025 16.8951 44.286 in (null):S-9999 (3) and CE1(60) at 30.5713 15.5777 43.3093 in (null):Y-9999 (8) Number of specific fragments= 1 total=872 # 1g7tA.16.16 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 16 :AYSTLSDYI 1g7tA 17 :GKTTLLDHI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.58387 Ang O(0) at -10.133 -4.667 -7.855 in (null):G-9999 (0) and CB(4) at -10.5337 -3.84057 -6.56462 in (null):A-9999 (1) neighbor-bump: 2.16731 Ang C(1) at -9.907 -3.742 -8.637 in (null):G-9999 (0) and CB(4) at -10.5337 -3.84057 -6.56462 in (null):A-9999 (1) Number of specific fragments= 1 total=873 # 1g7sA.16.16 read from T0147_twice.t2k.frag # found chain 1g7sA in template set T0147_twice 16 :AYSTLSDYI 1g7sA 17 :GKTTLLDHI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.64429 Ang O(0) at 10.937 26.537 23.457 in (null):G-9999 (0) and CB(4) at 10.5837 27.3035 24.8682 in (null):A-9999 (1) neighbor-bump: 2.21261 Ang C(1) at 11.134 27.499 22.734 in (null):G-9999 (0) and CB(4) at 10.5837 27.3035 24.8682 in (null):A-9999 (1) Number of specific fragments= 1 total=874 # 1e7wA.16.16 read from T0147_twice.t2k.frag # found chain 1e7wA in template set T0147_twice 16 :AYSTLSDYI 1e7wA 14 :AAKRLGRSI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.25613 Ang O(0) at 16.533 12.984 1.506 in (null):G-9999 (0) and OG(43) at 14.9409 11.5425 2.19706 in (null):S-9999 (6) other bump:3.14818 Ang CA(3) at 15.827 13.952 -1.01 in (null):A-9999 (1) and CB(42) at 15.286 11.4458 0.816852 in (null):S-9999 (6) other bump:2.09664 Ang O(0) at 16.533 12.984 1.506 in (null):G-9999 (0) and CB(42) at 15.286 11.4458 0.816852 in (null):S-9999 (6) other bump:2.98348 Ang C(1) at 16.248 14.212 1.386 in (null):G-9999 (0) and CB(42) at 15.286 11.4458 0.816852 in (null):S-9999 (6) neighbor-bump: 2.51772 Ang CG2(28) at 18.7137 4.90794 1.37634 in (null):T-9999 (4) and N(32) at 17.016 6.756 1.173 in (null):L-9999 (5) self-bump: 1.30141 Ang CA(26) at 19.228 6.883 0.131 in (null):T-9999 (4) and CB(27) at 19.5671 6.13953 1.1439 in (null):T-9999 (4) Number of specific fragments= 1 total=875 # 1b4aA.17.18 read from T0147_twice.t2k.frag # found chain 1b4aA in template set T0147_twice 17 :YSTLSDYIA 1b4aA 19 :IETQDELVD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=876 # 1g7tA.17.17 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 17 :YSTLSDYIA 1g7tA 18 :KTTLLDHIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=877 # 1add.17.17 read from T0147_twice.t2k.frag # found chain 1add in template set T0147_twice 17 :YSTLSDYIA 1add 21 :AIKPETILY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.53533 Ang OG(17) at 7.91536 15.7922 25.8818 in (null):S-9999 (2) and CZ(57) at 9.55538 14.0568 26.7342 in (null):Y-9999 (7) other bump:2.19626 Ang CB(16) at 8.88641 16.6347 25.2768 in (null):S-9999 (2) and CE1(55) at 9.34063 14.4912 25.4273 in (null):Y-9999 (7) other bump:1.98256 Ang OG(17) at 7.91536 15.7922 25.8818 in (null):S-9999 (2) and CE1(55) at 9.34063 14.4912 25.4273 in (null):Y-9999 (7) Number of specific fragments= 1 total=878 # 1g7sA.17.17 read from T0147_twice.t2k.frag # found chain 1g7sA in template set T0147_twice 17 :YSTLSDYIA 1g7sA 18 :KTTLLDHIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=879 # 1a4mA.17.17 read from T0147_twice.t2k.frag # found chain 1a4mA in template set T0147_twice 17 :YSTLSDYIA 1a4mA 21 :AIKPETILY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15374 Ang OG(17) at 31.025 16.8951 44.286 in (null):S-9999 (2) and OH(58) at 32.8911 16.0548 43.615 in (null):Y-9999 (7) other bump:2.12688 Ang OG(17) at 31.025 16.8951 44.286 in (null):S-9999 (2) and CZ(57) at 31.8889 15.1433 43.4443 in (null):Y-9999 (7) other bump:2.2713 Ang CB(16) at 30.5131 17.8476 43.3642 in (null):S-9999 (2) and CE1(55) at 30.5713 15.5777 43.3093 in (null):Y-9999 (7) other bump:1.70157 Ang OG(17) at 31.025 16.8951 44.286 in (null):S-9999 (2) and CE1(55) at 30.5713 15.5777 43.3093 in (null):Y-9999 (7) Number of specific fragments= 1 total=880 # 1brlB.17.17 read from T0147_twice.t2k.frag # adding 1brlB to template set 1brlB:# found chain 1brlB in template set T0147_twice 17 :YSTLSDYIA 1brlB 18 :DQVIEEMLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=881 # 1b4aA.18.19 read from T0147_twice.t2k.frag # found chain 1b4aA in template set T0147_twice 18 :STLSDYIAQ 1b4aA 20 :ETQDELVDR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=882 # 1g7tA.18.18 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 18 :STLSDYIAQ 1g7tA 19 :TTLLDHIRG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=883 # 1brlB.18.18 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 18 :STLSDYIAQ 1brlB 19 :QVIEEMLDT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=884 # 1g7sA.18.18 read from T0147_twice.t2k.frag # found chain 1g7sA in template set T0147_twice 18 :STLSDYIAQ 1g7sA 19 :TTLLDHIRG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=885 # 1add.18.18 read from T0147_twice.t2k.frag # found chain 1add in template set T0147_twice 18 :STLSDYIAQ 1add 22 :IKPETILYF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.53534 Ang OG(5) at 7.91535 15.7922 25.8818 in (null):S-9999 (1) and CZ(45) at 9.55539 14.0568 26.7342 in (null):Y-9999 (6) other bump:2.19626 Ang CB(4) at 8.88641 16.6347 25.2768 in (null):S-9999 (1) and CE1(43) at 9.34064 14.4912 25.4273 in (null):Y-9999 (6) other bump:1.98257 Ang OG(5) at 7.91535 15.7922 25.8818 in (null):S-9999 (1) and CE1(43) at 9.34064 14.4912 25.4273 in (null):Y-9999 (6) Number of specific fragments= 1 total=886 # 1a4mA.18.18 read from T0147_twice.t2k.frag # found chain 1a4mA in template set T0147_twice 18 :STLSDYIAQ 1a4mA 22 :IKPETILYF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51724 Ang OG(5) at 31.7028 18.1729 42.9533 in (null):S-9999 (1) and OH(46) at 32.8911 16.0548 43.615 in (null):Y-9999 (6) other bump:2.90287 Ang CB(4) at 30.502 17.692 43.531 in (null):S-9999 (1) and CZ(45) at 31.8889 15.1433 43.4443 in (null):Y-9999 (6) other bump:2.12701 Ang CB(4) at 30.502 17.692 43.531 in (null):S-9999 (1) and CE1(43) at 30.5713 15.5777 43.3093 in (null):Y-9999 (6) Number of specific fragments= 1 total=887 # 1b4aA.19.20 read from T0147_twice.t2k.frag # found chain 1b4aA in template set T0147_twice 19 :TLSDYIAQA 1b4aA 21 :TQDELVDRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=888 # 1g7tA.19.19 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 19 :TLSDYIAQA 1g7tA 20 :TLLDHIRGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=889 # 1brlB.19.19 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 19 :TLSDYIAQA 1brlB 20 :VIEEMLDTA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=890 # 1g7sA.19.19 read from T0147_twice.t2k.frag # found chain 1g7sA in template set T0147_twice 19 :TLSDYIAQA 1g7sA 20 :TLLDHIRGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=891 # 1add.19.19 read from T0147_twice.t2k.frag # found chain 1add in template set T0147_twice 19 :TLSDYIAQA 1add 23 :KPETILYFG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=892 # 1a4mA.19.19 read from T0147_twice.t2k.frag # found chain 1a4mA in template set T0147_twice 19 :TLSDYIAQA 1a4mA 23 :KPETILYFG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=893 # 1b4aA.20.21 read from T0147_twice.t2k.frag # found chain 1b4aA in template set T0147_twice 20 :LSDYIAQAK 1b4aA 22 :QDELVDRLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=894 # 1g7tA.20.20 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 20 :LSDYIAQAK 1g7tA 21 :LLDHIRGSA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=895 # 1brlB.20.20 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 20 :LSDYIAQAK 1brlB 21 :IEEMLDTAH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=896 # 1g7sA.20.20 read from T0147_twice.t2k.frag # found chain 1g7sA in template set T0147_twice 20 :LSDYIAQAK 1g7sA 21 :LLDHIRGSA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=897 # 1add.20.20 read from T0147_twice.t2k.frag # found chain 1add in template set T0147_twice 20 :LSDYIAQAK 1add 24 :PETILYFGK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=898 # 1a4mA.20.20 read from T0147_twice.t2k.frag # found chain 1a4mA in template set T0147_twice 20 :LSDYIAQAK 1a4mA 24 :PETILYFGK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=899 # 1b4aA.21.22 read from T0147_twice.t2k.frag # found chain 1b4aA in template set T0147_twice 21 :SDYIAQAKQ 1b4aA 23 :DELVDRLRE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=900 # 1g7tA.21.21 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 21 :SDYIAQAKQ 1g7tA 22 :LDHIRGSAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=901 # 1ir6A.21.22 read from T0147_twice.t2k.frag # adding 1ir6A to template set 1ir6A:# found chain 1ir6A in template set T0147_twice 21 :SDYIAQAKQ 1ir6A 62 :AALLEEALR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=902 # 1g7sA.21.21 read from T0147_twice.t2k.frag # found chain 1g7sA in template set T0147_twice 21 :SDYIAQAKQ 1g7sA 22 :LDHIRGSAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=903 # 1gsa.21.21 read from T0147_twice.t2k.frag # adding 1gsa to template set 1gsa:# found chain 1gsa in template set T0147_twice 21 :SDYIAQAKQ 1gsa 22 :FAMLLEAQR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=904 # 1brlB.21.21 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 21 :SDYIAQAKQ 1brlB 22 :EEMLDTAHY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=905 # 1b4aA.22.23 read from T0147_twice.t2k.frag # found chain 1b4aA in template set T0147_twice 22 :DYIAQAKQK 1b4aA 24 :ELVDRLREA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=906 # 1gsa.22.22 read from T0147_twice.t2k.frag # found chain 1gsa in template set T0147_twice 22 :DYIAQAKQK 1gsa 23 :AMLLEAQRR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=907 # 1g7tA.22.22 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 22 :DYIAQAKQK 1g7tA 23 :DHIRGSAVA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87011 Ang CG(38) at -16.9814 2.91576 6.24782 in (null):Q-9999 (5) and CD(71) at -18.4828 3.2849 8.66592 in (null):K-9999 (9) other bump:2.66114 Ang CD(39) at -17.3494 4.35892 6.51103 in (null):Q-9999 (5) and CD(71) at -18.4828 3.2849 8.66592 in (null):K-9999 (9) other bump:1.75075 Ang NE2(41) at -17.9363 4.62273 7.67765 in (null):Q-9999 (5) and CD(71) at -18.4828 3.2849 8.66592 in (null):K-9999 (9) other bump:2.45686 Ang NE2(41) at -17.9363 4.62273 7.67765 in (null):Q-9999 (5) and CG(70) at -18.1754 3.90773 10.016 in (null):K-9999 (9) Number of specific fragments= 1 total=908 # 1ir6A.22.23 read from T0147_twice.t2k.frag # found chain 1ir6A in template set T0147_twice 22 :DYIAQAKQK 1ir6A 63 :ALLEEALRQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=909 # 1zid.22.22 read from T0147_twice.t2k.frag # adding 1zid to template set 1zid:# found chain 1zid in template set T0147_twice 22 :DYIAQAKQK 1zid 24 :HIARVAQEQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.93308 Ang C(34) at 6.737 48.272 15.106 in (null):A-9999 (4) and NE2(64) at 6.19978 50.4808 13.2524 in (null):Q-9999 (8) other bump:2.84944 Ang CA(36) at 4.94 49.765 15.706 in (null):Q-9999 (5) and NE2(64) at 6.19978 50.4808 13.2524 in (null):Q-9999 (8) self-bump: 1.3805 Ang CA(11) at 2.305 45.246 16.115 in (null):Y-9999 (2) and CB(12) at 1.58365 44.5789 17.0847 in (null):Y-9999 (2) Number of specific fragments= 1 total=910 # 1eny.22.22 read from T0147_twice.t2k.frag # adding 1eny to template set 1eny:# found chain 1eny in template set T0147_twice 22 :DYIAQAKQK 1eny 24 :HIARVAQEQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80925 Ang CD(39) at 3.70071 52.3816 15.2536 in (null):Q-9999 (5) and NZ(73) at 3.41451 54.2144 17.3633 in (null):K-9999 (9) other bump:1.76937 Ang NE2(41) at 4.14985 53.4126 15.9679 in (null):Q-9999 (5) and NZ(73) at 3.41451 54.2144 17.3633 in (null):K-9999 (9) other bump:2.67228 Ang O(47) at 7.621 50.295 20.158 in (null):A-9999 (6) and CB(69) at 6.10119 52.4888 20.2935 in (null):K-9999 (9) Number of specific fragments= 1 total=911 # 1gsa.23.23 read from T0147_twice.t2k.frag # found chain 1gsa in template set T0147_twice 23 :YIAQAKQKG 1gsa 24 :MLLEAQRRG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=912 # 1b4aA.23.24 read from T0147_twice.t2k.frag # found chain 1b4aA in template set T0147_twice 23 :YIAQAKQKG 1b4aA 25 :LVDRLREAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=913 # 1zid.23.23 read from T0147_twice.t2k.frag # found chain 1zid in template set T0147_twice 23 :YIAQAKQKG 1zid 25 :IARVAQEQG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.93308 Ang C(26) at 6.737 48.272 15.106 in (null):A-9999 (3) and NE2(56) at 6.19978 50.4808 13.2524 in (null):Q-9999 (7) other bump:2.84944 Ang CA(28) at 4.94 49.765 15.706 in (null):Q-9999 (4) and NE2(56) at 6.19978 50.4808 13.2524 in (null):Q-9999 (7) self-bump: 1.3805 Ang CA(3) at 2.305 45.246 16.115 in (null):Y-9999 (1) and CB(4) at 1.58365 44.5789 17.0847 in (null):Y-9999 (1) Number of specific fragments= 1 total=914 # 1ir6A.23.24 read from T0147_twice.t2k.frag # found chain 1ir6A in template set T0147_twice 23 :YIAQAKQKG 1ir6A 64 :LLEEALRQG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78176 Ang NE2(33) at 0.426633 45.1376 10.4451 in (null):Q-9999 (4) and CG(62) at 2.94064 45.5422 11.565 in (null):K-9999 (8) Number of specific fragments= 1 total=915 # 1eny.23.23 read from T0147_twice.t2k.frag # found chain 1eny in template set T0147_twice 23 :YIAQAKQKG 1eny 25 :IARVAQEQG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17621 Ang O(34) at 5.969 50.942 17.68 in (null):Q-9999 (4) and CG(62) at 5.24299 52.6102 18.8742 in (null):K-9999 (8) other bump:3.26385 Ang C(35) at 5.64 49.855 17.17 in (null):Q-9999 (4) and CG(62) at 5.24299 52.6102 18.8742 in (null):K-9999 (8) Number of specific fragments= 1 total=916 # 1g10A.23.25 read from T0147_twice.t2k.frag # adding 1g10A to template set 1g10A:# found chain 1g10A in template set T0147_twice 23 :YIAQAKQKG 1g10A 26 :VIETAEIDN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40434 Ang O(48) at -2.788 5.844 18.692 in (null):K-9999 (6) and O(70) at -2.748 8.248 18.696 in (null):G-9999 (9) Number of specific fragments= 1 total=917 # 1gsa.24.24 read from T0147_twice.t2k.frag # found chain 1gsa in template set T0147_twice 24 :IAQAKQKGI 1gsa 25 :LLEAQRRGY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=918 # 1zid.24.24 read from T0147_twice.t2k.frag # found chain 1zid in template set T0147_twice 24 :IAQAKQKGI 1zid 26 :ARVAQEQGA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84944 Ang CA(16) at 4.94 49.765 15.706 in (null):Q-9999 (3) and NE2(44) at 6.19978 50.4808 13.2524 in (null):Q-9999 (6) other bump:2.93308 Ang C(14) at 6.737 48.272 15.106 in (null):A-9999 (2) and NE2(44) at 6.19978 50.4808 13.2524 in (null):Q-9999 (6) Number of specific fragments= 1 total=919 # 1ir6A.24.25 read from T0147_twice.t2k.frag # found chain 1ir6A in template set T0147_twice 24 :IAQAKQKGI 1ir6A 65 :LEEALRQGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.917 Ang CA(25) at 5.691 44.326 7.638 in (null):A-9999 (4) and CD1(65) at 5.88195 42.4847 9.89234 in (null):I-9999 (9) other bump:2.78176 Ang NE2(21) at 0.426633 45.1376 10.4451 in (null):Q-9999 (3) and CG(50) at 2.94064 45.5422 11.565 in (null):K-9999 (7) Number of specific fragments= 1 total=920 # 1eny.24.24 read from T0147_twice.t2k.frag # found chain 1eny in template set T0147_twice 24 :IAQAKQKGI 1eny 26 :ARVAQEQGA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60324 Ang CB(26) at 5.821 47.401 19.925 in (null):A-9999 (4) and CD1(65) at 5.5643 48.5073 22.2675 in (null):I-9999 (9) other bump:2.99398 Ang CA(25) at 5.927 48.768 19.307 in (null):A-9999 (4) and CD1(65) at 5.5643 48.5073 22.2675 in (null):I-9999 (9) other bump:3.26385 Ang C(23) at 5.64 49.855 17.17 in (null):Q-9999 (3) and CG(50) at 5.24299 52.6102 18.8742 in (null):K-9999 (7) other bump:2.17621 Ang O(22) at 5.969 50.942 17.68 in (null):Q-9999 (3) and CG(50) at 5.24299 52.6102 18.8742 in (null):K-9999 (7) Number of specific fragments= 1 total=921 # 1b4aA.24.25 read from T0147_twice.t2k.frag # found chain 1b4aA in template set T0147_twice 24 :IAQAKQKGI 1b4aA 26 :VDRLREAGF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=922 # 1g10A.24.26 read from T0147_twice.t2k.frag # found chain 1g10A in template set T0147_twice 24 :IAQAKQKGI 1g10A 27 :IETAEIDNP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40434 Ang O(36) at -2.788 5.844 18.692 in (null):K-9999 (5) and O(58) at -2.748 8.248 18.696 in (null):G-9999 (8) Number of specific fragments= 1 total=923 # 1gsa.25.25 read from T0147_twice.t2k.frag # found chain 1gsa in template set T0147_twice 25 :AQAKQKGIK 1gsa 26 :LEAQRRGYE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=924 # 1zid.25.25 read from T0147_twice.t2k.frag # found chain 1zid in template set T0147_twice 25 :AQAKQKGIK 1zid 27 :RVAQEQGAQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84944 Ang CA(8) at 4.94 49.765 15.706 in (null):Q-9999 (2) and NE2(36) at 6.19978 50.4808 13.2524 in (null):Q-9999 (5) other bump:2.93308 Ang C(6) at 6.737 48.272 15.106 in (null):A-9999 (1) and NE2(36) at 6.19978 50.4808 13.2524 in (null):Q-9999 (5) Number of specific fragments= 1 total=925 # 1eny.25.25 read from T0147_twice.t2k.frag # found chain 1eny in template set T0147_twice 25 :AQAKQKGIK 1eny 27 :RVAQEQGAQ Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.73873 Ang CB(18) at 5.821 47.401 19.925 in (null):A-9999 (3) and CD1(57) at 6.77542 47.1419 21.3551 in (null):I-9999 (8) other bump:2.74932 Ang CA(17) at 5.927 48.768 19.307 in (null):A-9999 (3) and CD1(57) at 6.77542 47.1419 21.3551 in (null):I-9999 (8) other bump:2.81467 Ang CB(18) at 5.821 47.401 19.925 in (null):A-9999 (3) and CG1(55) at 7.85992 48.1221 21.7264 in (null):I-9999 (8) other bump:2.61301 Ang C(20) at 7.347 49.294 19.448 in (null):A-9999 (3) and CG1(55) at 7.85992 48.1221 21.7264 in (null):I-9999 (8) other bump:3.10875 Ang N(21) at 8.251 48.673 18.692 in (null):K-9999 (4) and CG1(55) at 7.85992 48.1221 21.7264 in (null):I-9999 (8) other bump:3.26385 Ang C(15) at 5.64 49.855 17.17 in (null):Q-9999 (2) and CG(42) at 5.24299 52.6102 18.8742 in (null):K-9999 (6) other bump:2.17621 Ang O(14) at 5.969 50.942 17.68 in (null):Q-9999 (2) and CG(42) at 5.24299 52.6102 18.8742 in (null):K-9999 (6) Number of specific fragments= 1 total=926 # 1ir6A.25.26 read from T0147_twice.t2k.frag # found chain 1ir6A in template set T0147_twice 25 :AQAKQKGIK 1ir6A 66 :EEALRQGKR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11667 Ang CB(18) at 6.57 43.457 6.743 in (null):A-9999 (3) and CD1(57) at 7.08639 42.1522 8.32769 in (null):I-9999 (8) other bump:2.67358 Ang CA(17) at 5.691 44.326 7.638 in (null):A-9999 (3) and CD1(57) at 7.08639 42.1522 8.32769 in (null):I-9999 (8) other bump:2.66117 Ang CB(18) at 6.57 43.457 6.743 in (null):A-9999 (3) and CG1(55) at 8.02145 43.2395 8.96287 in (null):I-9999 (8) other bump:2.89254 Ang CA(17) at 5.691 44.326 7.638 in (null):A-9999 (3) and CG1(55) at 8.02145 43.2395 8.96287 in (null):I-9999 (8) other bump:2.78176 Ang NE2(13) at 0.426633 45.1376 10.4451 in (null):Q-9999 (2) and CG(42) at 2.94064 45.5422 11.565 in (null):K-9999 (6) Number of specific fragments= 1 total=927 # 1b4aA.25.26 read from T0147_twice.t2k.frag # found chain 1b4aA in template set T0147_twice 25 :AQAKQKGIK 1b4aA 27 :DRLREAGFN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=928 # 1d7oA.25.27 read from T0147_twice.t2k.frag # adding 1d7oA to template set 1d7oA:# found chain 1d7oA in template set T0147_twice 25 :AQAKQKGIK 1d7oA 38 :KSLAAAGAE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92492 Ang C(20) at 19.981 22.401 47.756 in (null):A-9999 (3) and CG2(56) at 21.4129 20.8093 45.7632 in (null):I-9999 (8) Number of specific fragments= 1 total=929 # 1gsa.26.26 read from T0147_twice.t2k.frag # found chain 1gsa in template set T0147_twice 26 :QAKQKGIKL 1gsa 27 :EAQRRGYEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=930 # 1zid.26.26 read from T0147_twice.t2k.frag # found chain 1zid in template set T0147_twice 26 :QAKQKGIKL 1zid 28 :VAQEQGAQL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84944 Ang CA(3) at 4.94 49.765 15.706 in (null):Q-9999 (1) and NE2(31) at 6.19978 50.4808 13.2524 in (null):Q-9999 (4) other bump:2.93308 Ang C(1) at 6.737 48.272 15.106 in (null):G-9999 (0) and NE2(31) at 6.19978 50.4808 13.2524 in (null):Q-9999 (4) Number of specific fragments= 1 total=931 # 1eny.26.26 read from T0147_twice.t2k.frag # found chain 1eny in template set T0147_twice 26 :QAKQKGIKL 1eny 28 :VAQEQGAQL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69422 Ang CD1(52) at 6.77542 47.1419 21.3551 in (null):I-9999 (7) and CD2(69) at 8.256 44.911 21.655 in (null):L-9999 (9) other bump:2.74932 Ang CA(12) at 5.927 48.768 19.307 in (null):A-9999 (2) and CD1(52) at 6.77542 47.1419 21.3551 in (null):I-9999 (7) other bump:1.73873 Ang CB(13) at 5.821 47.401 19.925 in (null):A-9999 (2) and CD1(52) at 6.77542 47.1419 21.3551 in (null):I-9999 (7) other bump:2.61301 Ang C(15) at 7.347 49.294 19.448 in (null):A-9999 (2) and CG1(50) at 7.85992 48.1221 21.7264 in (null):I-9999 (7) other bump:3.10875 Ang N(16) at 8.251 48.673 18.692 in (null):K-9999 (3) and CG1(50) at 7.85992 48.1221 21.7264 in (null):I-9999 (7) other bump:2.81467 Ang CB(13) at 5.821 47.401 19.925 in (null):A-9999 (2) and CG1(50) at 7.85992 48.1221 21.7264 in (null):I-9999 (7) other bump:3.26385 Ang C(10) at 5.64 49.855 17.17 in (null):Q-9999 (1) and CG(37) at 5.24299 52.6102 18.8742 in (null):K-9999 (5) other bump:2.17621 Ang O(9) at 5.969 50.942 17.68 in (null):Q-9999 (1) and CG(37) at 5.24299 52.6102 18.8742 in (null):K-9999 (5) Number of specific fragments= 1 total=932 # 1d7oA.26.28 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 26 :QAKQKGIKL 1d7oA 39 :SLAAAGAEI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62636 Ang CG(19) at 19.6262 24.8669 44.3005 in (null):K-9999 (3) and CD2(69) at 18.3984 22.849 43.1523 in (null):L-9999 (9) other bump:2.58375 Ang CE(21) at 18.6791 25.138 41.9871 in (null):K-9999 (3) and CD2(69) at 18.3984 22.849 43.1523 in (null):L-9999 (9) other bump:3.03846 Ang CD(20) at 18.94 25.833 43.3383 in (null):K-9999 (3) and CD2(69) at 18.3984 22.849 43.1523 in (null):L-9999 (9) other bump:2.51897 Ang CG2(51) at 21.4129 20.8093 45.7632 in (null):I-9999 (7) and CD1(68) at 20.7777 22.1387 43.7201 in (null):L-9999 (9) other bump:2.92492 Ang C(15) at 19.981 22.401 47.756 in (null):A-9999 (2) and CG2(51) at 21.4129 20.8093 45.7632 in (null):I-9999 (7) Number of specific fragments= 1 total=933 # 1ir6A.26.27 read from T0147_twice.t2k.frag # found chain 1ir6A in template set T0147_twice 26 :QAKQKGIKL 1ir6A 67 :EALRQGKRI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.07179 Ang CD1(52) at 7.08639 42.1522 8.32769 in (null):I-9999 (7) and CD2(69) at 9.64551 42.1939 6.62914 in (null):L-9999 (9) other bump:3.02936 Ang CG1(50) at 8.02145 43.2395 8.96287 in (null):I-9999 (7) and CD2(69) at 9.64551 42.1939 6.62914 in (null):L-9999 (9) other bump:2.67358 Ang CA(12) at 5.691 44.326 7.638 in (null):A-9999 (2) and CD1(52) at 7.08639 42.1522 8.32769 in (null):I-9999 (7) other bump:2.11667 Ang CB(13) at 6.57 43.457 6.743 in (null):A-9999 (2) and CD1(52) at 7.08639 42.1522 8.32769 in (null):I-9999 (7) other bump:2.89254 Ang CA(12) at 5.691 44.326 7.638 in (null):A-9999 (2) and CG1(50) at 8.02145 43.2395 8.96287 in (null):I-9999 (7) other bump:2.66117 Ang CB(13) at 6.57 43.457 6.743 in (null):A-9999 (2) and CG1(50) at 8.02145 43.2395 8.96287 in (null):I-9999 (7) other bump:2.78176 Ang NE2(8) at 0.426636 45.1376 10.4451 in (null):Q-9999 (1) and CG(37) at 2.94064 45.5422 11.565 in (null):K-9999 (5) Number of specific fragments= 1 total=934 # 2pfkA.26.26 read from T0147_twice.t2k.frag # adding 2pfkA to template set 2pfkA:# found chain 2pfkA in template set T0147_twice 26 :QAKQKGIKL 2pfkA 26 :SALTEGLEV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05733 Ang CB(13) at -5.993 2.878 17.104 in (null):A-9999 (2) and CD1(68) at -6.60535 2.44516 14.1401 in (null):L-9999 (9) other bump:2.50123 Ang CA(12) at -5.841 4.22 17.798 in (null):A-9999 (2) and CD1(52) at -4.03177 2.5444 17.3794 in (null):I-9999 (7) other bump:2.00838 Ang CB(13) at -5.993 2.878 17.104 in (null):A-9999 (2) and CD1(52) at -4.03177 2.5444 17.3794 in (null):I-9999 (7) other bump:2.85021 Ang CA(12) at -5.841 4.22 17.798 in (null):A-9999 (2) and CG1(50) at -3.45219 3.57117 16.3851 in (null):I-9999 (7) other bump:2.73003 Ang CB(13) at -5.993 2.878 17.104 in (null):A-9999 (2) and CG1(50) at -3.45219 3.57117 16.3851 in (null):I-9999 (7) other bump:2.26273 Ang O(14) at -4.23 5.676 16.676 in (null):A-9999 (2) and CG1(50) at -3.45219 3.57117 16.3851 in (null):I-9999 (7) other bump:2.64771 Ang C(15) at -5.412 5.301 16.806 in (null):A-9999 (2) and CG1(50) at -3.45219 3.57117 16.3851 in (null):I-9999 (7) Number of specific fragments= 1 total=935 # 1gsa.27.27 read from T0147_twice.t2k.frag # found chain 1gsa in template set T0147_twice 27 :AKQKGIKLF 1gsa 28 :AQRRGYELH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97535 Ang CD(50) at 34.2777 0.619199 46.2198 in (null):K-9999 (7) and CE2(70) at 32.54 3.03428 46.2003 in (null):F-9999 (9) Number of specific fragments= 1 total=936 # 1zid.27.27 read from T0147_twice.t2k.frag # found chain 1zid in template set T0147_twice 27 :AKQKGIKLF 1zid 29 :AQEQGAQLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=937 # 1eny.27.27 read from T0147_twice.t2k.frag # found chain 1eny in template set T0147_twice 27 :AKQKGIKLF 1eny 29 :AQEQGAQLV Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69422 Ang CD1(43) at 6.77542 47.1419 21.3551 in (null):I-9999 (6) and CD2(60) at 8.256 44.911 21.655 in (null):L-9999 (8) other bump:2.74932 Ang CA(3) at 5.927 48.768 19.307 in (null):A-9999 (1) and CD1(43) at 6.77542 47.1419 21.3551 in (null):I-9999 (6) other bump:1.73873 Ang CB(4) at 5.821 47.401 19.925 in (null):A-9999 (1) and CD1(43) at 6.77542 47.1419 21.3551 in (null):I-9999 (6) other bump:2.61301 Ang C(6) at 7.347 49.294 19.448 in (null):A-9999 (1) and CG1(41) at 7.85992 48.1221 21.7264 in (null):I-9999 (6) other bump:3.10875 Ang N(7) at 8.251 48.673 18.692 in (null):K-9999 (2) and CG1(41) at 7.85992 48.1221 21.7264 in (null):I-9999 (6) other bump:2.81467 Ang CB(4) at 5.821 47.401 19.925 in (null):A-9999 (1) and CG1(41) at 7.85992 48.1221 21.7264 in (null):I-9999 (6) other bump:3.26385 Ang C(1) at 5.64 49.855 17.17 in (null):G-9999 (0) and CG(28) at 5.24299 52.6102 18.8742 in (null):K-9999 (4) other bump:2.17621 Ang O(0) at 5.969 50.942 17.68 in (null):G-9999 (0) and CG(28) at 5.24299 52.6102 18.8742 in (null):K-9999 (4) Number of specific fragments= 1 total=938 # 1d7oA.27.29 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 27 :AKQKGIKLF 1d7oA 40 :LAAAGAEIL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08491 Ang CE(51) at 27.197 21.3791 38.033 in (null):K-9999 (7) and CZ(71) at 25.1985 19.4426 36.7016 in (null):F-9999 (9) other bump:2.05726 Ang CG(10) at 19.6262 24.8669 44.3005 in (null):K-9999 (2) and CD1(59) at 18.7502 23.337 43.2401 in (null):L-9999 (8) other bump:2.19516 Ang CE(12) at 18.6791 25.138 41.9871 in (null):K-9999 (2) and CD1(59) at 18.7502 23.337 43.2401 in (null):L-9999 (8) other bump:2.50515 Ang CD(11) at 18.94 25.833 43.3383 in (null):K-9999 (2) and CD1(59) at 18.7502 23.337 43.2401 in (null):L-9999 (8) other bump:2.87996 Ang CG(10) at 19.6262 24.8669 44.3005 in (null):K-9999 (2) and CG(58) at 19.8795 22.3846 42.8624 in (null):L-9999 (8) other bump:2.92492 Ang C(6) at 19.981 22.401 47.756 in (null):A-9999 (1) and CG2(42) at 21.4129 20.8093 45.7632 in (null):I-9999 (6) Number of specific fragments= 1 total=939 # 1dhpA.27.30 read from T0147_twice.t2k.frag # adding 1dhpA to template set 1dhpA:# found chain 1dhpA in template set T0147_twice 27 :AKQKGIKLF 1dhpA 31 :HVASGTSAI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.05049 Ang CB(4) at 41.582 88.155 71.652 in (null):A-9999 (1) and CZ(71) at 41.2589 86.6227 72.9757 in (null):F-9999 (9) other bump:2.44775 Ang CB(4) at 41.582 88.155 71.652 in (null):A-9999 (1) and CE1(69) at 40.0138 87.176 73.2563 in (null):F-9999 (9) neighbor-bump: 2.348 Ang O(53) at 44.624 86.288 79.16 in (null):K-9999 (7) and CD1(59) at 43.6557 85.04 80.8973 in (null):L-9999 (8) other bump:2.63903 Ang CB(4) at 41.582 88.155 71.652 in (null):A-9999 (1) and CD1(43) at 41.1907 90.487 72.8238 in (null):I-9999 (6) Number of specific fragments= 1 total=940 # 1ir6A.27.28 read from T0147_twice.t2k.frag # found chain 1ir6A in template set T0147_twice 27 :AKQKGIKLF 1ir6A 68 :ALRQGKRIR Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.0718 Ang CD1(43) at 7.08639 42.1522 8.32769 in (null):I-9999 (6) and CD2(60) at 9.64551 42.1939 6.62912 in (null):L-9999 (8) other bump:3.02937 Ang CG1(41) at 8.02145 43.2395 8.96287 in (null):I-9999 (6) and CD2(60) at 9.64551 42.1939 6.62912 in (null):L-9999 (8) other bump:2.67358 Ang CA(3) at 5.691 44.326 7.638 in (null):A-9999 (1) and CD1(43) at 7.08639 42.1522 8.32769 in (null):I-9999 (6) other bump:2.11667 Ang CB(4) at 6.57 43.457 6.743 in (null):A-9999 (1) and CD1(43) at 7.08639 42.1522 8.32769 in (null):I-9999 (6) other bump:2.89254 Ang CA(3) at 5.691 44.326 7.638 in (null):A-9999 (1) and CG1(41) at 8.02145 43.2395 8.96287 in (null):I-9999 (6) other bump:2.66117 Ang CB(4) at 6.57 43.457 6.743 in (null):A-9999 (1) and CG1(41) at 8.02145 43.2395 8.96287 in (null):I-9999 (6) Number of specific fragments= 1 total=941 # 1gsa.28.28 read from T0147_twice.t2k.frag # found chain 1gsa in template set T0147_twice 28 :KQKGIKLFA 1gsa 29 :QRRGYELHY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.12219 Ang CD(45) at 34.2777 0.619199 46.2198 in (null):K-9999 (6) and CE2(65) at 32.1417 2.8963 46.2023 in (null):F-9999 (8) Number of specific fragments= 1 total=942 # 1zid.28.28 read from T0147_twice.t2k.frag # found chain 1zid in template set T0147_twice 28 :KQKGIKLFA 1zid 30 :QEQGAQLVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=943 # 1d7oA.28.30 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 28 :KQKGIKLFA 1d7oA 41 :AAAGAEILV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08491 Ang CE(46) at 27.197 21.3791 38.033 in (null):K-9999 (6) and CZ(66) at 25.1985 19.4426 36.7016 in (null):F-9999 (8) other bump:2.50515 Ang CD(6) at 18.94 25.833 43.3383 in (null):K-9999 (1) and CD1(54) at 18.7502 23.337 43.2401 in (null):L-9999 (7) other bump:2.19515 Ang CE(7) at 18.6791 25.138 41.9871 in (null):K-9999 (1) and CD1(54) at 18.7502 23.337 43.2401 in (null):L-9999 (7) other bump:2.05726 Ang CG(5) at 19.6262 24.8669 44.3005 in (null):K-9999 (1) and CD1(54) at 18.7502 23.337 43.2401 in (null):L-9999 (7) other bump:2.87995 Ang CG(5) at 19.6262 24.8669 44.3005 in (null):K-9999 (1) and CG(53) at 19.8795 22.3846 42.8624 in (null):L-9999 (7) other bump:2.92492 Ang C(1) at 19.981 22.401 47.756 in (null):G-9999 (0) and CG2(37) at 21.4129 20.8093 45.7632 in (null):I-9999 (5) Number of specific fragments= 1 total=944 # 1eny.28.28 read from T0147_twice.t2k.frag # found chain 1eny in template set T0147_twice 28 :KQKGIKLFA 1eny 30 :QEQGAQLVL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69422 Ang CD1(38) at 6.77542 47.1419 21.3551 in (null):I-9999 (5) and CD2(55) at 8.256 44.911 21.655 in (null):L-9999 (7) other bump:2.61301 Ang C(1) at 7.347 49.294 19.448 in (null):G-9999 (0) and CG1(36) at 7.85992 48.1221 21.7264 in (null):I-9999 (5) other bump:3.10875 Ang N(2) at 8.251 48.673 18.692 in (null):K-9999 (1) and CG1(36) at 7.85992 48.1221 21.7264 in (null):I-9999 (5) Number of specific fragments= 1 total=945 # 1dhpA.28.31 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 28 :KQKGIKLFA 1dhpA 32 :VASGTSAIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.348 Ang O(48) at 44.624 86.288 79.16 in (null):K-9999 (6) and CD1(54) at 43.6557 85.04 80.8973 in (null):L-9999 (7) Number of specific fragments= 1 total=946 # 1bag.28.29 read from T0147_twice.t2k.frag # adding 1bag to template set 1bag:# found chain 1bag in template set T0147_twice 28 :KQKGIKLFA 1bag 30 :HDAGYTAIQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49014 Ang CG2(37) at -7.65732 18.142 34.2862 in (null):I-9999 (5) and O(56) at -8.769 19.01 32.234 in (null):L-9999 (7) Number of specific fragments= 1 total=947 # 1d7oA.29.31 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 29 :QKGIKLFAI 1d7oA 42 :AAGAEILVG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08491 Ang CE(37) at 27.197 21.3791 38.033 in (null):K-9999 (5) and CZ(57) at 25.1985 19.4426 36.7016 in (null):F-9999 (7) Number of specific fragments= 1 total=948 # 1gsa.29.29 read from T0147_twice.t2k.frag # found chain 1gsa in template set T0147_twice 29 :QKGIKLFAI 1gsa 30 :RRGYELHYM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.12219 Ang CD(36) at 34.2777 0.619199 46.2198 in (null):K-9999 (5) and CE2(56) at 32.1417 2.8963 46.2023 in (null):F-9999 (7) Number of specific fragments= 1 total=949 # 1e7wA.29.29 read from T0147_twice.t2k.frag # found chain 1e7wA in template set T0147_twice 29 :QKGIKLFAI 1e7wA 27 :HAEGYAVCL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61301 Ang C(1) at 7.041 10.391 -8.513 in (null):G-9999 (0) and CZ(57) at 7.49757 12.3919 -6.89564 in (null):F-9999 (7) other bump:2.73359 Ang N(2) at 8.272 10.731 -8.924 in (null):Q-9999 (1) and CZ(57) at 7.49757 12.3919 -6.89564 in (null):F-9999 (7) other bump:2.65007 Ang CA(3) at 8.459 11.233 -10.31 in (null):Q-9999 (1) and CE2(56) at 8.06032 12.6889 -8.13186 in (null):F-9999 (7) other bump:2.54256 Ang C(1) at 7.041 10.391 -8.513 in (null):G-9999 (0) and CE2(56) at 8.06032 12.6889 -8.13186 in (null):F-9999 (7) other bump:2.12265 Ang N(2) at 8.272 10.731 -8.924 in (null):Q-9999 (1) and CE2(56) at 8.06032 12.6889 -8.13186 in (null):F-9999 (7) neighbor-bump: 2.53582 Ang O(22) at 2.385 9.719 -12.018 in (null):G-9999 (3) and CD1(29) at 1.0396 9.28858 -14.1239 in (null):I-9999 (4) neighbor-bump: 2.10614 Ang O(22) at 2.385 9.719 -12.018 in (null):G-9999 (3) and CG1(27) at 2.38214 10.0088 -14.1041 in (null):I-9999 (4) neighbor-bump: 2.61403 Ang C(23) at 3.608 9.567 -11.838 in (null):G-9999 (3) and CG1(27) at 2.38214 10.0088 -14.1041 in (null):I-9999 (4) neighbor-bump: 1.83119 Ang O(22) at 2.385 9.719 -12.018 in (null):G-9999 (3) and CB(26) at 2.40022 11.1919 -13.106 in (null):I-9999 (4) neighbor-bump: 2.38886 Ang C(23) at 3.608 9.567 -11.838 in (null):G-9999 (3) and CB(26) at 2.40022 11.1919 -13.106 in (null):I-9999 (4) Number of specific fragments= 1 total=950 # 1dhpA.29.32 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 29 :QKGIKLFAI 1dhpA 33 :ASGTSAIVS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.348 Ang O(39) at 44.624 86.288 79.16 in (null):K-9999 (5) and CD1(45) at 43.6557 85.04 80.8973 in (null):L-9999 (6) Number of specific fragments= 1 total=951 # 1zid.29.29 read from T0147_twice.t2k.frag # found chain 1zid in template set T0147_twice 29 :QKGIKLFAI 1zid 31 :EQGAQLVLT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=952 # 1bag.29.30 read from T0147_twice.t2k.frag # found chain 1bag in template set T0147_twice 29 :QKGIKLFAI 1bag 31 :DAGYTAIQT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49014 Ang CG2(28) at -7.65732 18.142 34.2862 in (null):I-9999 (4) and O(47) at -8.769 19.01 32.234 in (null):L-9999 (6) Number of specific fragments= 1 total=953 # 1d7oA.30.32 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 30 :KGIKLFAIT 1d7oA 43 :AGAEILVGT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08491 Ang CE(28) at 27.197 21.3791 38.033 in (null):K-9999 (4) and CZ(48) at 25.1985 19.4426 36.7016 in (null):F-9999 (6) Number of specific fragments= 1 total=954 # 1e7wA.30.30 read from T0147_twice.t2k.frag # found chain 1e7wA in template set T0147_twice 30 :KGIKLFAIT 1e7wA 28 :AEGYAVCLH Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.53582 Ang O(13) at 2.385 9.719 -12.018 in (null):G-9999 (2) and CD1(20) at 1.0396 9.28858 -14.1239 in (null):I-9999 (3) neighbor-bump: 2.10614 Ang O(13) at 2.385 9.719 -12.018 in (null):G-9999 (2) and CG1(18) at 2.38214 10.0088 -14.1041 in (null):I-9999 (3) neighbor-bump: 2.61403 Ang C(14) at 3.608 9.567 -11.838 in (null):G-9999 (2) and CG1(18) at 2.38214 10.0088 -14.1041 in (null):I-9999 (3) neighbor-bump: 1.83119 Ang O(13) at 2.385 9.719 -12.018 in (null):G-9999 (2) and CB(17) at 2.40022 11.1919 -13.106 in (null):I-9999 (3) neighbor-bump: 2.38886 Ang C(14) at 3.608 9.567 -11.838 in (null):G-9999 (2) and CB(17) at 2.40022 11.1919 -13.106 in (null):I-9999 (3) Number of specific fragments= 1 total=955 # 1brlB.30.33 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 30 :KGIKLFAIT 1brlB 34 :LKFDTLAVY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.87603 Ang O(30) at -8.822 76.014 58.94 in (null):K-9999 (4) and CD1(36) at -7.27996 74.9467 58.8898 in (null):L-9999 (5) Number of specific fragments= 1 total=956 # 1ez1A.30.33 read from T0147_twice.t2k.frag # adding 1ez1A to template set 1ez1A:Skipped atom 955, because occupancy 0.5 <= existing 0.500001 Skipped atom 957, because occupancy 0.5 <= existing 0.500001 Skipped atom 959, because occupancy 0.5 <= existing 0.500001 Skipped atom 961, because occupancy 0.5 <= existing 0.500001 Skipped atom 963, because occupancy 0.5 <= existing 0.500001 Skipped atom 1721, because occupancy 0.5 <= existing 0.500001 Skipped atom 1723, because occupancy 0.5 <= existing 0.500001 Skipped atom 1725, because occupancy 0.5 <= existing 0.500001 Skipped atom 1727, because occupancy 0.5 <= existing 0.500001 Skipped atom 2749, because occupancy 0.5 <= existing 0.500001 Skipped atom 2751, because occupancy 0.5 <= existing 0.500001 # found chain 1ez1A in template set T0147_twice 30 :KGIKLFAIT 1ez1A 34 :LGVEVIAVD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58785 Ang O(21) at 25.1 19.737 21.977 in (null):I-9999 (3) and CD1(36) at 24.3033 22.1959 22.1046 in (null):L-9999 (5) Number of specific fragments= 1 total=957 # 1eyzA.30.33 read from T0147_twice.t2k.frag # adding 1eyzA to template set 1eyzA:Skipped atom 698, because occupancy 0.5 <= existing 0.500001 Skipped atom 700, because occupancy 0.5 <= existing 0.500001 Skipped atom 702, because occupancy 0.5 <= existing 0.500001 Skipped atom 704, because occupancy 0.5 <= existing 0.500001 Skipped atom 706, because occupancy 0.5 <= existing 0.500001 # found chain 1eyzA in template set T0147_twice 30 :KGIKLFAIT 1eyzA 34 :LGVEVIAVD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59668 Ang O(21) at 24.721 19.469 22.108 in (null):I-9999 (3) and CD1(36) at 23.9253 21.9354 22.2708 in (null):L-9999 (5) Number of specific fragments= 1 total=958 # 1gsa.30.30 read from T0147_twice.t2k.frag # found chain 1gsa in template set T0147_twice 30 :KGIKLFAIT 1gsa 31 :RGYELHYME Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.12219 Ang CD(27) at 34.2777 0.619199 46.2198 in (null):K-9999 (4) and CE2(47) at 32.1417 2.8963 46.2023 in (null):F-9999 (6) Number of specific fragments= 1 total=959 # 1d7oA.31.33 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 31 :GIKLFAITD 1d7oA 44 :GAEILVGTW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08491 Ang CE(19) at 27.197 21.3791 38.033 in (null):K-9999 (3) and CZ(39) at 25.1985 19.4426 36.7016 in (null):F-9999 (5) Number of specific fragments= 1 total=960 # 1e7wA.31.31 read from T0147_twice.t2k.frag # found chain 1e7wA in template set T0147_twice 31 :GIKLFAITD 1e7wA 29 :EGYAVCLHY Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.53582 Ang O(4) at 2.385 9.719 -12.018 in (null):G-9999 (1) and CD1(11) at 1.0396 9.28858 -14.1239 in (null):I-9999 (2) neighbor-bump: 2.10614 Ang O(4) at 2.385 9.719 -12.018 in (null):G-9999 (1) and CG1(9) at 2.38214 10.0088 -14.1041 in (null):I-9999 (2) neighbor-bump: 2.61403 Ang C(5) at 3.608 9.567 -11.838 in (null):G-9999 (1) and CG1(9) at 2.38214 10.0088 -14.1041 in (null):I-9999 (2) neighbor-bump: 1.83119 Ang O(4) at 2.385 9.719 -12.018 in (null):G-9999 (1) and CB(8) at 2.40022 11.1919 -13.106 in (null):I-9999 (2) neighbor-bump: 2.38886 Ang C(5) at 3.608 9.567 -11.838 in (null):G-9999 (1) and CB(8) at 2.40022 11.1919 -13.106 in (null):I-9999 (2) Number of specific fragments= 1 total=961 # 1ez1A.31.34 read from T0147_twice.t2k.frag # found chain 1ez1A in template set T0147_twice 31 :GIKLFAITD 1ez1A 35 :GVEVIAVDR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58785 Ang O(12) at 25.1 19.737 21.977 in (null):I-9999 (2) and CD1(27) at 24.3033 22.1959 22.1046 in (null):L-9999 (4) Number of specific fragments= 1 total=962 # 1eyzA.31.34 read from T0147_twice.t2k.frag # found chain 1eyzA in template set T0147_twice 31 :GIKLFAITD 1eyzA 35 :GVEVIAVDR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59668 Ang O(12) at 24.721 19.469 22.108 in (null):I-9999 (2) and CD1(27) at 23.9253 21.9354 22.2708 in (null):L-9999 (4) Number of specific fragments= 1 total=963 # 1qsgA.31.33 read from T0147_twice.t2k.frag # adding 1qsgA to template set 1qsgA:# found chain 1qsgA in template set T0147_twice 31 :GIKLFAITD 1qsgA 31 :EGAELAFTY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.77261 Ang C(5) at 0.67 3.196 33.768 in (null):G-9999 (1) and CG1(9) at -0.453042 2.32279 36.1478 in (null):I-9999 (2) neighbor-bump: 1.99737 Ang O(4) at 0.461 1.993 33.587 in (null):G-9999 (1) and CB(8) at 0.784921 1.63324 35.5248 in (null):I-9999 (2) neighbor-bump: 2.35411 Ang C(5) at 0.67 3.196 33.768 in (null):G-9999 (1) and CB(8) at 0.784921 1.63324 35.5248 in (null):I-9999 (2) Number of specific fragments= 1 total=964 # 1g7tA.31.31 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 31 :G 1g7tA 32 :S Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 38 :TD 1g7tA 39 :TQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 2 total=966 Number of alignments=69 # 1e7wA.32.32 read from T0147_twice.t2k.frag # found chain 1e7wA in template set T0147_twice 32 :IKLFAITDH 1e7wA 30 :GYAVCLHYH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.73048 Ang C(1) at 3.608 9.567 -11.838 in (null):G-9999 (0) and CG1(5) at 2.78176 10.0863 -14.3881 in (null):I-9999 (1) Number of specific fragments= 1 total=967 # 1ez1A.32.35 read from T0147_twice.t2k.frag # found chain 1ez1A in template set T0147_twice 32 :IKLFAITDH 1ez1A 36 :VEVIAVDRY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31005 Ang OG1(55) at 17.3812 32.7644 30.43 in (null):T-9999 (7) and O(74) at 15.278 33.688 30.185 in (null):H-9999 (9) other bump:2.58785 Ang O(8) at 25.1 19.737 21.977 in (null):I-9999 (1) and CD1(23) at 24.3033 22.1959 22.1046 in (null):L-9999 (3) Number of specific fragments= 1 total=968 # 1eyzA.32.35 read from T0147_twice.t2k.frag # found chain 1eyzA in template set T0147_twice 32 :IKLFAITDH 1eyzA 36 :VEVIAVDRY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38015 Ang OG1(55) at 16.931 33.0786 30.6853 in (null):T-9999 (7) and O(74) at 14.578 33.377 30.486 in (null):H-9999 (9) other bump:2.59668 Ang O(8) at 24.721 19.469 22.108 in (null):I-9999 (1) and CD1(23) at 23.9253 21.9354 22.2708 in (null):L-9999 (3) Number of specific fragments= 1 total=969 # 1g7tA.32.32 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 38 :TDH 1g7tA 39 :TQH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 1 total=970 # 1qsgA.32.34 read from T0147_twice.t2k.frag # found chain 1qsgA in template set T0147_twice 32 :IKLFAITDH 1qsgA 32 :GAELAFTYQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.85763 Ang CD2(70) at 23.9101 14.1825 22.018 in (null):H-9999 (9) and N(76) at 24.665 13.003 24.509 in (null):G-9999 (10) self-bump: 1.32671 Ang CA(67) at 23.048 11.561 23.406 in (null):H-9999 (9) and CB(68) at 22.9434 11.7751 22.1009 in (null):H-9999 (9) Number of specific fragments= 1 total=971 # 1d7oA.32.34 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 32 :IKLFAITDH 1d7oA 45 :AEILVGTWV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08491 Ang CE(15) at 27.197 21.3791 38.033 in (null):K-9999 (2) and CZ(35) at 25.1985 19.4426 36.7016 in (null):F-9999 (4) Number of specific fragments= 1 total=972 # 1e7wA.33.33 read from T0147_twice.t2k.frag # found chain 1e7wA in template set T0147_twice 33 :KLFAITDHG 1e7wA 31 :YAVCLHYHR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.1293 Ang CG(53) at 21.1992 18.9298 -0.0767919 in (null):D-9999 (7) and N(72) at 23.962 17.971 1.037 in (null):G-9999 (10) Number of specific fragments= 1 total=973 # 1ez1A.33.36 read from T0147_twice.t2k.frag # found chain 1ez1A in template set T0147_twice 33 :KLFAITDHG 1ez1A 37 :EVIAVDRYA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31005 Ang OG1(47) at 17.3812 32.7644 30.43 in (null):T-9999 (6) and O(66) at 15.278 33.688 30.185 in (null):H-9999 (8) other bump:1.65624 Ang CE(7) at 22.2129 17.7125 28.9247 in (null):K-9999 (1) and CZ(27) at 22.4091 18.836 30.1258 in (null):F-9999 (3) other bump:2.03011 Ang NZ(8) at 22.154 16.822 30.1123 in (null):K-9999 (1) and CZ(27) at 22.4091 18.836 30.1258 in (null):F-9999 (3) other bump:2.92558 Ang NZ(8) at 22.154 16.822 30.1123 in (null):K-9999 (1) and CE2(26) at 21.4063 19.5781 30.748 in (null):F-9999 (3) other bump:2.22182 Ang CE(7) at 22.2129 17.7125 28.9247 in (null):K-9999 (1) and CE1(25) at 23.4333 19.4955 29.4425 in (null):F-9999 (3) other bump:2.58785 Ang O(0) at 25.1 19.737 21.977 in (null):G-9999 (0) and CD1(15) at 24.3033 22.1959 22.1046 in (null):L-9999 (2) Number of specific fragments= 1 total=974 # 1g7sA.33.33 read from T0147_twice.t2k.frag # found chain 1g7sA in template set T0147_twice 38 :TDHG 1g7sA 39 :TQHI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 1 total=975 # 1eyzA.33.36 read from T0147_twice.t2k.frag # found chain 1eyzA in template set T0147_twice 33 :KLFAITDHG 1eyzA 37 :EVIAVDRYA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38015 Ang OG1(47) at 16.931 33.0786 30.6853 in (null):T-9999 (6) and O(66) at 14.578 33.377 30.486 in (null):H-9999 (8) other bump:1.58172 Ang CE(7) at 22.1305 17.5277 29.1148 in (null):K-9999 (1) and CZ(27) at 22.0936 18.5924 30.284 in (null):F-9999 (3) other bump:1.90418 Ang NZ(8) at 22.1464 16.6898 30.3414 in (null):K-9999 (1) and CZ(27) at 22.0936 18.5924 30.284 in (null):F-9999 (3) other bump:2.88527 Ang NZ(8) at 22.1464 16.6898 30.3414 in (null):K-9999 (1) and CE2(26) at 21.0502 19.3053 30.8724 in (null):F-9999 (3) other bump:2.08471 Ang CE(7) at 22.1305 17.5277 29.1148 in (null):K-9999 (1) and CE1(25) at 23.1259 19.2815 29.6435 in (null):F-9999 (3) other bump:2.85718 Ang NZ(8) at 22.1464 16.6898 30.3414 in (null):K-9999 (1) and CE1(25) at 23.1259 19.2815 29.6435 in (null):F-9999 (3) other bump:2.59668 Ang O(0) at 24.721 19.469 22.108 in (null):G-9999 (0) and CD1(15) at 23.9253 21.9354 22.2708 in (null):L-9999 (2) Number of specific fragments= 1 total=976 # 1g7tA.33.33 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 38 :TDHG 1g7tA 39 :TQHI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 1 total=977 # 1brlB.33.36 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 33 :KLFAITDHG 1brlB 37 :DTLAVYENH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.87603 Ang O(9) at -8.822 76.014 58.94 in (null):K-9999 (1) and CD1(15) at -7.27996 74.9467 58.8898 in (null):L-9999 (2) Number of specific fragments= 1 total=978 # 1e7wA.34.34 read from T0147_twice.t2k.frag # found chain 1e7wA in template set T0147_twice 34 :LFAITDHGP 1e7wA 32 :AVCLHYHRS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09899 Ang CG(44) at 21.1992 18.9298 -0.0767919 in (null):D-9999 (6) and C(69) at 23.772 17.888 -1.455 in (null):P-9999 (9) other bump:2.76109 Ang OD2(46) at 22.1515 19.7349 -0.195475 in (null):D-9999 (6) and C(69) at 23.772 17.888 -1.455 in (null):P-9999 (9) other bump:2.72332 Ang CG(44) at 21.1992 18.9298 -0.0767919 in (null):D-9999 (6) and CD(67) at 22.6666 17.3974 1.63067 in (null):P-9999 (9) other bump:1.88112 Ang OD1(45) at 21.3457 17.7639 0.342395 in (null):D-9999 (6) and CD(67) at 22.6666 17.3974 1.63067 in (null):P-9999 (9) other bump:2.93378 Ang CG(44) at 21.1992 18.9298 -0.0767919 in (null):D-9999 (6) and CG(66) at 22.2651 16.2953 0.651757 in (null):P-9999 (9) other bump:1.76003 Ang OD1(45) at 21.3457 17.7639 0.342395 in (null):D-9999 (6) and CG(66) at 22.2651 16.2953 0.651757 in (null):P-9999 (9) other bump:3.1293 Ang CG(44) at 21.1992 18.9298 -0.0767919 in (null):D-9999 (6) and N(63) at 23.962 17.971 1.037 in (null):P-9999 (9) Number of specific fragments= 1 total=979 # 1g7sA.34.34 read from T0147_twice.t2k.frag # found chain 1g7sA in template set T0147_twice 38 :TDHGP 1g7sA 39 :TQHIG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues self-bump: 2.16768 Ang CA(32) at 18.109 42.897 31.08 in (null):P-9999 (5) and CD(35) at 18.9273 44.8712 31.4428 in (null):P-9999 (5) neighbor-bump: 1.74533 Ang O(29) at 19.549 44.318 32.977 in (null):G-9999 (4) and CD(35) at 18.9273 44.8712 31.4428 in (null):P-9999 (5) neighbor-bump: 1.39825 Ang C(30) at 18.393 44.675 32.72 in (null):G-9999 (4) and CD(35) at 18.9273 44.8712 31.4428 in (null):P-9999 (5) neighbor-bump: 2.73747 Ang C(30) at 18.393 44.675 32.72 in (null):G-9999 (4) and CG(34) at 18.5439 44.8216 29.9906 in (null):P-9999 (5) Number of specific fragments= 1 total=980 # 1g7tA.34.34 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 38 :TDHGP 1g7tA 39 :TQHIG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues self-bump: 2.15231 Ang CA(32) at -3.743 9.56 -0.878 in (null):P-9999 (5) and CD(35) at -2.96951 11.5665 -0.787619 in (null):P-9999 (5) neighbor-bump: 2.02295 Ang O(29) at -2.187 10.922 0.963 in (null):G-9999 (4) and CD(35) at -2.96951 11.5665 -0.787619 in (null):P-9999 (5) neighbor-bump: 1.5818 Ang C(30) at -3.325 11.327 0.735 in (null):G-9999 (4) and CD(35) at -2.96951 11.5665 -0.787619 in (null):P-9999 (5) Number of specific fragments= 1 total=981 # 1brlB.34.37 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 34 :LFAITDHGP 1brlB 38 :TLAVYENHF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.38104 Ang O(61) at 11.983 88.135 71.152 in (null):G-9999 (8) and CD(67) at 12.0745 87.7323 73.497 in (null):P-9999 (9) neighbor-bump: 1.83275 Ang C(62) at 11.089 87.882 71.959 in (null):G-9999 (8) and CD(67) at 12.0745 87.7323 73.497 in (null):P-9999 (9) self-bump: 2.13698 Ang CA(64) at 11.518 89.795 73.545 in (null):P-9999 (9) and CD(67) at 12.0745 87.7323 73.497 in (null):P-9999 (9) self-bump: 2.21184 Ang N(63) at 10.819 88.596 73.061 in (null):P-9999 (9) and CG(66) at 11.8362 88.0475 74.9469 in (null):P-9999 (9) Number of specific fragments= 1 total=982 # 1lucA.34.37 read from T0147_twice.t2k.frag # adding 1lucA to template set 1lucA:Skipped atom 1916, because occupancy 0.3 <= existing 0.700001 Skipped atom 2439, because occupancy 0.3 <= existing 0.700001 Skipped atom 2572, because occupancy 1 <= existing 1 # found chain 1lucA in template set T0147_twice 34 :LFAITDHGP 1lucA 38 :TVWLLEHHF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.58235 Ang CA(60) at 45.808 0.346 31.315 in (null):G-9999 (8) and CD(67) at 44.8023 0.314597 32.5362 in (null):P-9999 (9) neighbor-bump: 2.28389 Ang O(61) at 46.875 0.433 33.488 in (null):G-9999 (8) and CD(67) at 44.8023 0.314597 32.5362 in (null):P-9999 (9) neighbor-bump: 1.18181 Ang C(62) at 45.885 0.71 32.797 in (null):G-9999 (8) and CD(67) at 44.8023 0.314597 32.5362 in (null):P-9999 (9) self-bump: 1.21658 Ang N(63) at 44.772 1.31 33.235 in (null):P-9999 (9) and CD(67) at 44.8023 0.314597 32.5362 in (null):P-9999 (9) neighbor-bump: 2.89545 Ang CA(60) at 45.808 0.346 31.315 in (null):G-9999 (8) and CG(66) at 44.3371 -0.670326 33.5925 in (null):P-9999 (9) neighbor-bump: 2.2213 Ang C(62) at 45.885 0.71 32.797 in (null):G-9999 (8) and CG(66) at 44.3371 -0.670326 33.5925 in (null):P-9999 (9) self-bump: 2.0588 Ang N(63) at 44.772 1.31 33.235 in (null):P-9999 (9) and CG(66) at 44.3371 -0.670326 33.5925 in (null):P-9999 (9) neighbor-bump: 2.47838 Ang C(62) at 45.885 0.71 32.797 in (null):G-9999 (8) and CB(65) at 44.7968 -0.0669937 34.8837 in (null):P-9999 (9) self-bump: 2.14826 Ang N(63) at 44.772 1.31 33.235 in (null):P-9999 (9) and CB(65) at 44.7968 -0.0669937 34.8837 in (null):P-9999 (9) other bump:2.90661 Ang CE1(16) at 49.6947 8.49976 17.9111 in (null):F-9999 (2) and CG1(29) at 48.9969 5.73563 18.4776 in (null):I-9999 (4) Number of specific fragments= 1 total=983 # 1d2rA.34.35 read from T0147_twice.t2k.frag # adding 1d2rA to template set 1d2rA:# found chain 1d2rA in template set T0147_twice 34 :LFAITDHGP 1d2rA 36 :YFCIVDQHA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34783 Ang N(63) at 27.936 -0.546 40.325 in (null):P-9999 (9) and CD(67) at 28.7151 0.527739 40.5633 in (null):P-9999 (9) other bump:3.04216 Ang C(48) at 27.601 3.083 39.345 in (null):D-9999 (6) and CD(67) at 28.7151 0.527739 40.5633 in (null):P-9999 (9) neighbor-bump: 2.35179 Ang N(59) at 29.317 0.6 38.291 in (null):G-9999 (8) and CD(67) at 28.7151 0.527739 40.5633 in (null):P-9999 (9) other bump:2.16 Ang O(39) at 29.902 2.136 41.382 in (null):T-9999 (5) and CD(67) at 28.7151 0.527739 40.5633 in (null):P-9999 (9) other bump:3.18823 Ang C(40) at 30.279 3.262 41.056 in (null):T-9999 (5) and CD(67) at 28.7151 0.527739 40.5633 in (null):P-9999 (9) self-bump: 2.21085 Ang N(63) at 27.936 -0.546 40.325 in (null):P-9999 (9) and CG(66) at 28.2738 0.894164 41.9681 in (null):P-9999 (9) other bump:2.12991 Ang O(39) at 29.902 2.136 41.382 in (null):T-9999 (5) and CG(66) at 28.2738 0.894164 41.9681 in (null):P-9999 (9) other bump:3.23406 Ang C(40) at 30.279 3.262 41.056 in (null):T-9999 (5) and CG(66) at 28.2738 0.894164 41.9681 in (null):P-9999 (9) Number of specific fragments= 1 total=984 # 1g7sA.35.35 read from T0147_twice.t2k.frag # found chain 1g7sA in template set T0147_twice 38 :TDHGPD 1g7sA 39 :TQHIGA Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:1.9312 Ang CB(19) at 18.303 43.382 37.028 in (null):H-9999 (3) and OD1(42) at 18.9431 41.9854 35.8578 in (null):D-9999 (6) other bump:3.08186 Ang CB(19) at 18.303 43.382 37.028 in (null):H-9999 (3) and CG(41) at 19.8747 41.3568 35.3174 in (null):D-9999 (6) neighbor-bump: 1.72671 Ang CA(28) at 17.769 45.889 33.446 in (null):G-9999 (4) and CD(35) at 17.8741 45.2569 31.8426 in (null):P-9999 (5) self-bump: 1.2533 Ang N(31) at 17.614 44.031 31.858 in (null):P-9999 (5) and CD(35) at 17.8741 45.2569 31.8426 in (null):P-9999 (5) neighbor-bump: 2.23023 Ang O(29) at 19.549 44.318 32.977 in (null):G-9999 (4) and CD(35) at 17.8741 45.2569 31.8426 in (null):P-9999 (5) neighbor-bump: 1.1738 Ang C(30) at 18.393 44.675 32.72 in (null):G-9999 (4) and CD(35) at 17.8741 45.2569 31.8426 in (null):P-9999 (5) neighbor-bump: 3.01543 Ang CA(28) at 17.769 45.889 33.446 in (null):G-9999 (4) and CG(34) at 18.8927 45.2658 30.718 in (null):P-9999 (5) self-bump: 2.11172 Ang N(31) at 17.614 44.031 31.858 in (null):P-9999 (5) and CG(34) at 18.8927 45.2658 30.718 in (null):P-9999 (5) neighbor-bump: 2.53614 Ang O(29) at 19.549 44.318 32.977 in (null):G-9999 (4) and CG(34) at 18.8927 45.2658 30.718 in (null):P-9999 (5) neighbor-bump: 2.1463 Ang C(30) at 18.393 44.675 32.72 in (null):G-9999 (4) and CG(34) at 18.8927 45.2658 30.718 in (null):P-9999 (5) neighbor-bump: 2.26741 Ang O(29) at 19.549 44.318 32.977 in (null):G-9999 (4) and CB(33) at 19.4867 43.8916 30.7509 in (null):P-9999 (5) neighbor-bump: 2.38479 Ang C(30) at 18.393 44.675 32.72 in (null):G-9999 (4) and CB(33) at 19.4867 43.8916 30.7509 in (null):P-9999 (5) Number of specific fragments= 1 total=985 # 1g7tA.35.35 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 38 :TDHGPD 1g7tA 39 :TQHIGA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.01191 Ang CB(19) at -3.128 10.252 5.168 in (null):H-9999 (3) and OD1(42) at -2.59063 9.39316 3.42978 in (null):D-9999 (6) other bump:2.89677 Ang CB(19) at -3.128 10.252 5.168 in (null):H-9999 (3) and CG(41) at -1.65712 8.56895 3.3254 in (null):D-9999 (6) neighbor-bump: 1.79769 Ang CA(28) at -3.842 12.567 1.467 in (null):G-9999 (4) and CD(35) at -3.96125 11.9403 -0.213668 in (null):P-9999 (5) self-bump: 1.24526 Ang N(31) at -4.163 10.716 -0.108 in (null):P-9999 (5) and CD(35) at -3.96125 11.9403 -0.213668 in (null):P-9999 (5) neighbor-bump: 2.35995 Ang O(29) at -2.187 10.922 0.963 in (null):G-9999 (4) and CD(35) at -3.96125 11.9403 -0.213668 in (null):P-9999 (5) neighbor-bump: 1.29648 Ang C(30) at -3.325 11.327 0.735 in (null):G-9999 (4) and CD(35) at -3.96125 11.9403 -0.213668 in (null):P-9999 (5) neighbor-bump: 3.09312 Ang CA(28) at -3.842 12.567 1.467 in (null):G-9999 (4) and CG(34) at -3.10749 11.9234 -1.4679 in (null):P-9999 (5) self-bump: 2.10267 Ang N(31) at -4.163 10.716 -0.108 in (null):P-9999 (5) and CG(34) at -3.10749 11.9234 -1.4679 in (null):P-9999 (5) neighbor-bump: 2.29254 Ang C(30) at -3.325 11.327 0.735 in (null):G-9999 (4) and CG(34) at -3.10749 11.9234 -1.4679 in (null):P-9999 (5) neighbor-bump: 2.46865 Ang C(30) at -3.325 11.327 0.735 in (null):G-9999 (4) and CB(33) at -2.45692 10.5747 -1.45011 in (null):P-9999 (5) Number of specific fragments= 1 total=986 # 1e7wA.35.35 read from T0147_twice.t2k.frag # found chain 1e7wA in template set T0147_twice 35 :FAITDHGPD 1e7wA 33 :VCLHYHRSA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09899 Ang CG(36) at 21.1992 18.9298 -0.0767919 in (null):D-9999 (5) and C(61) at 23.772 17.888 -1.455 in (null):P-9999 (8) other bump:2.76109 Ang OD2(38) at 22.1515 19.7349 -0.195475 in (null):D-9999 (5) and C(61) at 23.772 17.888 -1.455 in (null):P-9999 (8) other bump:2.72332 Ang CG(36) at 21.1992 18.9298 -0.0767919 in (null):D-9999 (5) and CD(59) at 22.6666 17.3974 1.63067 in (null):P-9999 (8) other bump:1.88112 Ang OD1(37) at 21.3457 17.7639 0.342395 in (null):D-9999 (5) and CD(59) at 22.6666 17.3974 1.63067 in (null):P-9999 (8) other bump:2.93378 Ang CG(36) at 21.1992 18.9298 -0.0767919 in (null):D-9999 (5) and CG(58) at 22.2651 16.2953 0.651757 in (null):P-9999 (8) other bump:1.76003 Ang OD1(37) at 21.3457 17.7639 0.342395 in (null):D-9999 (5) and CG(58) at 22.2651 16.2953 0.651757 in (null):P-9999 (8) other bump:3.1293 Ang CG(36) at 21.1992 18.9298 -0.0767919 in (null):D-9999 (5) and N(55) at 23.962 17.971 1.037 in (null):P-9999 (8) Number of specific fragments= 1 total=987 # 1ezwA.35.33 read from T0147_twice.t2k.frag # found chain 1ezwA in template set T0147_twice 35 :FAITDHGPD 1ezwA 34 :AWICDHYNN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62991 Ang N(51) at -23.701 25.915 15.79 in (null):G-9999 (7) and CD(59) at -24.8372 23.5442 15.7222 in (null):P-9999 (8) other bump:2.90287 Ang C(50) at -22.982 25.478 16.838 in (null):H-9999 (6) and CD(59) at -24.8372 23.5442 15.7222 in (null):P-9999 (8) other bump:2.99752 Ang CE2(9) at -15.3309 26.2307 28.9774 in (null):F-9999 (1) and CD1(23) at -16.964 25.229 26.672 in (null):I-9999 (3) other bump:2.95723 Ang CE2(9) at -15.3309 26.2307 28.9774 in (null):F-9999 (1) and CG1(21) at -16.5 26.665 26.296 in (null):I-9999 (3) Number of specific fragments= 1 total=988 # 1brlA.35.38 read from T0147_twice.t2k.frag # adding 1brlA to template set 1brlA:# found chain 1brlA in template set T0147_twice 35 :FAITDHGPD 1brlA 39 :VWLLEHHFT Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28629 Ang CD2(45) at 1.68 61.441 86.383 in (null):H-9999 (6) and OD1(66) at 2.78406 59.5162 85.8324 in (null):D-9999 (9) other bump:1.48476 Ang NE2(48) at 2.633 60.581 86.856 in (null):H-9999 (6) and OD1(66) at 2.78406 59.5162 85.8324 in (null):D-9999 (9) other bump:2.42862 Ang NE2(48) at 2.633 60.581 86.856 in (null):H-9999 (6) and CG(65) at 3.22584 58.3678 86.0508 in (null):D-9999 (9) neighbor-bump: 1.5384 Ang CA(52) at 4.579 63.325 83.46 in (null):G-9999 (7) and CD(59) at 5.22618 62.2511 82.5686 in (null):P-9999 (8) neighbor-bump: 2.09393 Ang O(53) at 5.133 61.181 84.366 in (null):G-9999 (7) and CD(59) at 5.22618 62.2511 82.5686 in (null):P-9999 (8) neighbor-bump: 1.02463 Ang C(54) at 4.792 61.821 83.391 in (null):G-9999 (7) and CD(59) at 5.22618 62.2511 82.5686 in (null):P-9999 (8) self-bump: 1.20808 Ang N(55) at 4.594 61.297 82.182 in (null):P-9999 (8) and CD(59) at 5.22618 62.2511 82.5686 in (null):P-9999 (8) neighbor-bump: 2.85379 Ang CA(52) at 4.579 63.325 83.46 in (null):G-9999 (7) and CG(58) at 6.60779 61.6788 82.3118 in (null):P-9999 (8) neighbor-bump: 2.11705 Ang C(54) at 4.792 61.821 83.391 in (null):G-9999 (7) and CG(58) at 6.60779 61.6788 82.3118 in (null):P-9999 (8) self-bump: 2.05378 Ang N(55) at 4.594 61.297 82.182 in (null):P-9999 (8) and CG(58) at 6.60779 61.6788 82.3118 in (null):P-9999 (8) neighbor-bump: 2.47824 Ang C(54) at 4.792 61.821 83.391 in (null):G-9999 (7) and CB(57) at 6.42822 60.2011 82.4743 in (null):P-9999 (8) self-bump: 2.15659 Ang N(55) at 4.594 61.297 82.182 in (null):P-9999 (8) and CB(57) at 6.42822 60.2011 82.4743 in (null):P-9999 (8) Number of specific fragments= 1 total=989 # 1chd.35.38 read from T0147_twice.t2k.frag # found chain 1chd in training set T0147_twice 35 :FAITDHGPD 1chd 185 :VIITQHMPP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=990 # 1g7sA.36.36 read from T0147_twice.t2k.frag # found chain 1g7sA in template set T0147_twice 38 :TDHGPDM 1g7sA 39 :TQHIGAT Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.19056 Ang CB(19) at 18.303 43.382 37.028 in (null):H-9999 (3) and OD1(42) at 19.1888 42.2669 35.3635 in (null):D-9999 (6) neighbor-bump: 1.72671 Ang CA(28) at 17.769 45.889 33.446 in (null):G-9999 (4) and CD(35) at 17.8741 45.2569 31.8426 in (null):P-9999 (5) self-bump: 1.2533 Ang N(31) at 17.614 44.031 31.858 in (null):P-9999 (5) and CD(35) at 17.8741 45.2569 31.8426 in (null):P-9999 (5) neighbor-bump: 2.23023 Ang O(29) at 19.549 44.318 32.977 in (null):G-9999 (4) and CD(35) at 17.8741 45.2569 31.8426 in (null):P-9999 (5) neighbor-bump: 1.1738 Ang C(30) at 18.393 44.675 32.72 in (null):G-9999 (4) and CD(35) at 17.8741 45.2569 31.8426 in (null):P-9999 (5) neighbor-bump: 3.01543 Ang CA(28) at 17.769 45.889 33.446 in (null):G-9999 (4) and CG(34) at 18.8927 45.2658 30.718 in (null):P-9999 (5) self-bump: 2.11172 Ang N(31) at 17.614 44.031 31.858 in (null):P-9999 (5) and CG(34) at 18.8927 45.2658 30.718 in (null):P-9999 (5) neighbor-bump: 2.53614 Ang O(29) at 19.549 44.318 32.977 in (null):G-9999 (4) and CG(34) at 18.8927 45.2658 30.718 in (null):P-9999 (5) neighbor-bump: 2.1463 Ang C(30) at 18.393 44.675 32.72 in (null):G-9999 (4) and CG(34) at 18.8927 45.2658 30.718 in (null):P-9999 (5) neighbor-bump: 2.26741 Ang O(29) at 19.549 44.318 32.977 in (null):G-9999 (4) and CB(33) at 19.4867 43.8916 30.7509 in (null):P-9999 (5) neighbor-bump: 2.38479 Ang C(30) at 18.393 44.675 32.72 in (null):G-9999 (4) and CB(33) at 19.4867 43.8916 30.7509 in (null):P-9999 (5) Number of specific fragments= 1 total=991 # 1g7tA.36.36 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 38 :TDHGPDM 1g7tA 39 :TQHIGAT Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.01191 Ang CB(19) at -3.128 10.252 5.168 in (null):H-9999 (3) and OD1(42) at -2.59063 9.39316 3.42978 in (null):D-9999 (6) other bump:2.89677 Ang CB(19) at -3.128 10.252 5.168 in (null):H-9999 (3) and CG(41) at -1.65712 8.56895 3.3254 in (null):D-9999 (6) neighbor-bump: 1.79769 Ang CA(28) at -3.842 12.567 1.467 in (null):G-9999 (4) and CD(35) at -3.96125 11.9403 -0.213668 in (null):P-9999 (5) self-bump: 1.24526 Ang N(31) at -4.163 10.716 -0.108 in (null):P-9999 (5) and CD(35) at -3.96125 11.9403 -0.213668 in (null):P-9999 (5) neighbor-bump: 2.35995 Ang O(29) at -2.187 10.922 0.963 in (null):G-9999 (4) and CD(35) at -3.96125 11.9403 -0.213668 in (null):P-9999 (5) neighbor-bump: 1.29648 Ang C(30) at -3.325 11.327 0.735 in (null):G-9999 (4) and CD(35) at -3.96125 11.9403 -0.213668 in (null):P-9999 (5) neighbor-bump: 3.09312 Ang CA(28) at -3.842 12.567 1.467 in (null):G-9999 (4) and CG(34) at -3.10749 11.9234 -1.4679 in (null):P-9999 (5) self-bump: 2.10267 Ang N(31) at -4.163 10.716 -0.108 in (null):P-9999 (5) and CG(34) at -3.10749 11.9234 -1.4679 in (null):P-9999 (5) neighbor-bump: 2.29254 Ang C(30) at -3.325 11.327 0.735 in (null):G-9999 (4) and CG(34) at -3.10749 11.9234 -1.4679 in (null):P-9999 (5) neighbor-bump: 2.46865 Ang C(30) at -3.325 11.327 0.735 in (null):G-9999 (4) and CB(33) at -2.45692 10.5747 -1.45011 in (null):P-9999 (5) Number of specific fragments= 1 total=992 # 1e7wA.36.36 read from T0147_twice.t2k.frag # found chain 1e7wA in template set T0147_twice 36 :AITDHGPDM 1e7wA 34 :CLHYHRSAA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42869 Ang OD2(27) at 22.1515 19.7349 -0.195475 in (null):D-9999 (4) and OD1(55) at 23.2277 21.7916 -0.910113 in (null):D-9999 (8) other bump:3.09899 Ang CG(25) at 21.1992 18.9298 -0.0767919 in (null):D-9999 (4) and C(50) at 23.772 17.888 -1.455 in (null):P-9999 (7) other bump:2.76109 Ang OD2(27) at 22.1515 19.7349 -0.195475 in (null):D-9999 (4) and C(50) at 23.772 17.888 -1.455 in (null):P-9999 (7) other bump:2.72332 Ang CG(25) at 21.1992 18.9298 -0.0767919 in (null):D-9999 (4) and CD(48) at 22.6666 17.3974 1.63067 in (null):P-9999 (7) other bump:1.88112 Ang OD1(26) at 21.3457 17.7639 0.342395 in (null):D-9999 (4) and CD(48) at 22.6666 17.3974 1.63067 in (null):P-9999 (7) other bump:2.93378 Ang CG(25) at 21.1992 18.9298 -0.0767919 in (null):D-9999 (4) and CG(47) at 22.2651 16.2953 0.651757 in (null):P-9999 (7) other bump:1.76003 Ang OD1(26) at 21.3457 17.7639 0.342395 in (null):D-9999 (4) and CG(47) at 22.2651 16.2953 0.651757 in (null):P-9999 (7) other bump:3.1293 Ang CG(25) at 21.1992 18.9298 -0.0767919 in (null):D-9999 (4) and N(44) at 23.962 17.971 1.037 in (null):P-9999 (7) Number of specific fragments= 1 total=993 # 1brlA.36.39 read from T0147_twice.t2k.frag # found chain 1brlA in template set T0147_twice 36 :AITDHGPDM 1brlA 40 :WLLEHHFTE Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16175 Ang CD2(34) at 1.68 61.441 86.383 in (null):H-9999 (5) and OD1(55) at 2.21498 59.376 86.033 in (null):D-9999 (8) other bump:1.51798 Ang NE2(37) at 2.633 60.581 86.856 in (null):H-9999 (5) and OD1(55) at 2.21498 59.376 86.033 in (null):D-9999 (8) other bump:2.28606 Ang NE2(37) at 2.633 60.581 86.856 in (null):H-9999 (5) and CG(54) at 3.04233 58.449 86.1396 in (null):D-9999 (8) neighbor-bump: 2.09393 Ang O(42) at 5.133 61.181 84.366 in (null):G-9999 (6) and CD(48) at 5.22618 62.2511 82.5686 in (null):P-9999 (7) self-bump: 1.20808 Ang N(44) at 4.594 61.297 82.182 in (null):P-9999 (7) and CD(48) at 5.22618 62.2511 82.5686 in (null):P-9999 (7) neighbor-bump: 1.5384 Ang CA(41) at 4.579 63.325 83.46 in (null):G-9999 (6) and CD(48) at 5.22618 62.2511 82.5686 in (null):P-9999 (7) neighbor-bump: 1.02463 Ang C(43) at 4.792 61.821 83.391 in (null):G-9999 (6) and CD(48) at 5.22618 62.2511 82.5686 in (null):P-9999 (7) self-bump: 2.05378 Ang N(44) at 4.594 61.297 82.182 in (null):P-9999 (7) and CG(47) at 6.60779 61.6788 82.3118 in (null):P-9999 (7) neighbor-bump: 2.85379 Ang CA(41) at 4.579 63.325 83.46 in (null):G-9999 (6) and CG(47) at 6.60779 61.6788 82.3118 in (null):P-9999 (7) neighbor-bump: 2.11705 Ang C(43) at 4.792 61.821 83.391 in (null):G-9999 (6) and CG(47) at 6.60779 61.6788 82.3118 in (null):P-9999 (7) self-bump: 2.15659 Ang N(44) at 4.594 61.297 82.182 in (null):P-9999 (7) and CB(46) at 6.42822 60.2011 82.4743 in (null):P-9999 (7) neighbor-bump: 2.47824 Ang C(43) at 4.792 61.821 83.391 in (null):G-9999 (6) and CB(46) at 6.42822 60.2011 82.4743 in (null):P-9999 (7) Number of specific fragments= 1 total=994 # 1chd.36.39 read from T0147_twice.t2k.frag # found chain 1chd in training set T0147_twice 36 :AITDHGPDM 1chd 186 :IITQHMPPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=995 # 1ezwA.36.34 read from T0147_twice.t2k.frag # found chain 1ezwA in template set T0147_twice 36 :AITDHGPDM 1ezwA 35 :WICDHYNNY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62991 Ang N(40) at -23.701 25.915 15.79 in (null):G-9999 (6) and CD(48) at -24.8372 23.5442 15.7222 in (null):P-9999 (7) other bump:2.90287 Ang C(39) at -22.982 25.478 16.838 in (null):H-9999 (5) and CD(48) at -24.8372 23.5442 15.7222 in (null):P-9999 (7) Number of specific fragments= 1 total=996 # 1g7sA.37.37 read from T0147_twice.t2k.frag # found chain 1g7sA in template set T0147_twice 38 :TDHGPDME 1g7sA 39 :TQHIGATE Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.40531 Ang OE2(60) at 17.815 36.451 42.436 in (null):E-9999 (8) and N(63) at 16.231 35.616 40.83 in (null):G-9999 (9) self-bump: 2.62946 Ang OE2(60) at 17.815 36.451 42.436 in (null):E-9999 (8) and C(62) at 15.985 36.9 40.602 in (null):E-9999 (8) other bump:2.19056 Ang CB(19) at 18.303 43.382 37.028 in (null):H-9999 (3) and OD1(42) at 19.1888 42.2669 35.3635 in (null):D-9999 (6) neighbor-bump: 1.72671 Ang CA(28) at 17.769 45.889 33.446 in (null):G-9999 (4) and CD(35) at 17.8741 45.2569 31.8426 in (null):P-9999 (5) self-bump: 1.2533 Ang N(31) at 17.614 44.031 31.858 in (null):P-9999 (5) and CD(35) at 17.8741 45.2569 31.8426 in (null):P-9999 (5) neighbor-bump: 2.23023 Ang O(29) at 19.549 44.318 32.977 in (null):G-9999 (4) and CD(35) at 17.8741 45.2569 31.8426 in (null):P-9999 (5) neighbor-bump: 1.1738 Ang C(30) at 18.393 44.675 32.72 in (null):G-9999 (4) and CD(35) at 17.8741 45.2569 31.8426 in (null):P-9999 (5) neighbor-bump: 3.01543 Ang CA(28) at 17.769 45.889 33.446 in (null):G-9999 (4) and CG(34) at 18.8927 45.2658 30.718 in (null):P-9999 (5) self-bump: 2.11172 Ang N(31) at 17.614 44.031 31.858 in (null):P-9999 (5) and CG(34) at 18.8927 45.2658 30.718 in (null):P-9999 (5) neighbor-bump: 2.53614 Ang O(29) at 19.549 44.318 32.977 in (null):G-9999 (4) and CG(34) at 18.8927 45.2658 30.718 in (null):P-9999 (5) neighbor-bump: 2.1463 Ang C(30) at 18.393 44.675 32.72 in (null):G-9999 (4) and CG(34) at 18.8927 45.2658 30.718 in (null):P-9999 (5) neighbor-bump: 2.26741 Ang O(29) at 19.549 44.318 32.977 in (null):G-9999 (4) and CB(33) at 19.4867 43.8916 30.7509 in (null):P-9999 (5) neighbor-bump: 2.38479 Ang C(30) at 18.393 44.675 32.72 in (null):G-9999 (4) and CB(33) at 19.4867 43.8916 30.7509 in (null):P-9999 (5) Number of specific fragments= 1 total=997 # 1e7wA.37.37 read from T0147_twice.t2k.frag # found chain 1e7wA in template set T0147_twice 37 :ITDHGPDME 1e7wA 35 :LHYHRSAAE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42869 Ang OD2(22) at 22.1515 19.7349 -0.195466 in (null):D-9999 (3) and OD1(50) at 23.2277 21.7916 -0.910113 in (null):D-9999 (7) other bump:3.09899 Ang CG(20) at 21.1992 18.9298 -0.0767904 in (null):D-9999 (3) and C(45) at 23.772 17.888 -1.455 in (null):P-9999 (6) other bump:2.7611 Ang OD2(22) at 22.1515 19.7349 -0.195466 in (null):D-9999 (3) and C(45) at 23.772 17.888 -1.455 in (null):P-9999 (6) other bump:2.72332 Ang CG(20) at 21.1992 18.9298 -0.0767904 in (null):D-9999 (3) and CD(43) at 22.6666 17.3974 1.63067 in (null):P-9999 (6) other bump:1.88112 Ang OD1(21) at 21.3457 17.7639 0.342397 in (null):D-9999 (3) and CD(43) at 22.6666 17.3974 1.63067 in (null):P-9999 (6) other bump:2.93378 Ang CG(20) at 21.1992 18.9298 -0.0767904 in (null):D-9999 (3) and CG(42) at 22.2651 16.2953 0.651757 in (null):P-9999 (6) other bump:1.76003 Ang OD1(21) at 21.3457 17.7639 0.342397 in (null):D-9999 (3) and CG(42) at 22.2651 16.2953 0.651757 in (null):P-9999 (6) other bump:3.1293 Ang CG(20) at 21.1992 18.9298 -0.0767904 in (null):D-9999 (3) and N(39) at 23.962 17.971 1.037 in (null):P-9999 (6) Number of specific fragments= 1 total=998 # 1cm7A.37.38 read from T0147_twice.t2k.frag # adding 1cm7A to template set 1cm7A:# found chain 1cm7A in template set T0147_twice 37 :ITDHGPDME 1cm7A 39 :TTSHYDVGG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.20882 Ang CB(56) at 35.177 30.7773 32.025 in (null):M-9999 (8) and C(61) at 34.826 29.84 30.056 in (null):M-9999 (8) self-bump: 1.3122 Ang CA(55) at 35.885 30.416 30.981 in (null):M-9999 (8) and CB(56) at 35.177 30.7773 32.025 in (null):M-9999 (8) neighbor-bump: 2.81556 Ang CD2(29) at 40.024 36.985 22.443 in (null):H-9999 (4) and N(35) at 42.204 36.491 24.155 in (null):G-9999 (5) Number of specific fragments= 1 total=999 # 1g7tA.37.37 read from T0147_twice.t2k.frag # found chain 1g7tA in template set T0147_twice 38 :TDHGPDME 1g7tA 39 :TQHIGATE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.01191 Ang CB(19) at -3.128 10.252 5.168 in (null):H-9999 (3) and OD1(42) at -2.59063 9.39316 3.42978 in (null):D-9999 (6) other bump:2.89677 Ang CB(19) at -3.128 10.252 5.168 in (null):H-9999 (3) and CG(41) at -1.65712 8.56895 3.3254 in (null):D-9999 (6) neighbor-bump: 1.79769 Ang CA(28) at -3.842 12.567 1.467 in (null):G-9999 (4) and CD(35) at -3.96125 11.9403 -0.213668 in (null):P-9999 (5) self-bump: 1.24526 Ang N(31) at -4.163 10.716 -0.108 in (null):P-9999 (5) and CD(35) at -3.96125 11.9403 -0.213668 in (null):P-9999 (5) neighbor-bump: 2.35995 Ang O(29) at -2.187 10.922 0.963 in (null):G-9999 (4) and CD(35) at -3.96125 11.9403 -0.213668 in (null):P-9999 (5) neighbor-bump: 1.29648 Ang C(30) at -3.325 11.327 0.735 in (null):G-9999 (4) and CD(35) at -3.96125 11.9403 -0.213668 in (null):P-9999 (5) neighbor-bump: 3.09312 Ang CA(28) at -3.842 12.567 1.467 in (null):G-9999 (4) and CG(34) at -3.10749 11.9234 -1.4679 in (null):P-9999 (5) self-bump: 2.10267 Ang N(31) at -4.163 10.716 -0.108 in (null):P-9999 (5) and CG(34) at -3.10749 11.9234 -1.4679 in (null):P-9999 (5) neighbor-bump: 2.29254 Ang C(30) at -3.325 11.327 0.735 in (null):G-9999 (4) and CG(34) at -3.10749 11.9234 -1.4679 in (null):P-9999 (5) neighbor-bump: 2.46865 Ang C(30) at -3.325 11.327 0.735 in (null):G-9999 (4) and CB(33) at -2.45692 10.5747 -1.45011 in (null):P-9999 (5) Number of specific fragments= 1 total=1000 # 1cnzA.37.38 read from T0147_twice.t2k.frag # adding 1cnzA to template set 1cnzA:# found chain 1cnzA in template set T0147_twice 37 :ITDHGPDME 1cnzA 39 :TTSHYDVGG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48251 Ang CB(56) at 34.9405 -11.9447 35.7676 in (null):M-9999 (8) and N(62) at 36.014 -13.374 34.045 in (null):E-9999 (9) self-bump: 2.19908 Ang CB(56) at 34.9405 -11.9447 35.7676 in (null):M-9999 (8) and C(61) at 35.498 -13.969 35.114 in (null):M-9999 (8) self-bump: 1.28944 Ang CA(55) at 35.274 -13.064 36.314 in (null):M-9999 (8) and CB(56) at 34.9405 -11.9447 35.7676 in (null):M-9999 (8) Number of specific fragments= 1 total=1001 # 1chd.37.40 read from T0147_twice.t2k.frag # found chain 1chd in training set T0147_twice 37 :ITDHGPDME 1chd 187 :ITQHMPPGF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.05556 Ang CG(42) at 8.399 37.65 28.122 in (null):P-9999 (6) and OE1(67) at 8.51108 35.7527 28.9049 in (null):E-9999 (9) other bump:1.51431 Ang CD(43) at 9.132 36.417 27.694 in (null):P-9999 (6) and OE1(67) at 8.51108 35.7527 28.9049 in (null):E-9999 (9) other bump:2.73231 Ang CG(42) at 8.399 37.65 28.122 in (null):P-9999 (6) and CD(66) at 7.92245 35.7288 30.0054 in (null):E-9999 (9) other bump:2.69804 Ang CD(43) at 9.132 36.417 27.694 in (null):P-9999 (6) and CD(66) at 7.92245 35.7288 30.0054 in (null):E-9999 (9) Number of specific fragments= 1 total=1002 # 1e7wA.38.38 read from T0147_twice.t2k.frag # found chain 1e7wA in template set T0147_twice 38 :TDHGPDMED 1e7wA 36 :HYHRSAAEA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42869 Ang OD2(14) at 22.1515 19.7349 -0.195458 in (null):D-9999 (2) and OD1(42) at 23.2277 21.7916 -0.910113 in (null):D-9999 (6) other bump:3.09899 Ang CG(12) at 21.1992 18.9298 -0.0767838 in (null):D-9999 (2) and C(37) at 23.772 17.888 -1.455 in (null):P-9999 (5) other bump:2.7611 Ang OD2(14) at 22.1515 19.7349 -0.195458 in (null):D-9999 (2) and C(37) at 23.772 17.888 -1.455 in (null):P-9999 (5) other bump:2.72331 Ang CG(12) at 21.1992 18.9298 -0.0767838 in (null):D-9999 (2) and CD(35) at 22.6666 17.3974 1.63067 in (null):P-9999 (5) other bump:1.88112 Ang OD1(13) at 21.3457 17.7639 0.342396 in (null):D-9999 (2) and CD(35) at 22.6666 17.3974 1.63067 in (null):P-9999 (5) other bump:2.93378 Ang CG(12) at 21.1992 18.9298 -0.0767838 in (null):D-9999 (2) and CG(34) at 22.2651 16.2953 0.651757 in (null):P-9999 (5) other bump:1.76003 Ang OD1(13) at 21.3457 17.7639 0.342396 in (null):D-9999 (2) and CG(34) at 22.2651 16.2953 0.651757 in (null):P-9999 (5) other bump:3.1293 Ang CG(12) at 21.1992 18.9298 -0.0767838 in (null):D-9999 (2) and N(31) at 23.962 17.971 1.037 in (null):P-9999 (5) Number of specific fragments= 1 total=1003 # 1cnzA.38.39 read from T0147_twice.t2k.frag # found chain 1cnzA in template set T0147_twice 38 :TDHGPDMED 1cnzA 40 :TSHYDVGGI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48251 Ang CB(48) at 34.9405 -11.9447 35.7676 in (null):M-9999 (7) and N(54) at 36.014 -13.374 34.045 in (null):E-9999 (8) self-bump: 2.19908 Ang CB(48) at 34.9405 -11.9447 35.7676 in (null):M-9999 (7) and C(53) at 35.498 -13.969 35.114 in (null):M-9999 (7) self-bump: 1.28944 Ang CA(47) at 35.274 -13.064 36.314 in (null):M-9999 (7) and CB(48) at 34.9405 -11.9447 35.7676 in (null):M-9999 (7) Number of specific fragments= 1 total=1004 # 1cm7A.38.39 read from T0147_twice.t2k.frag # found chain 1cm7A in template set T0147_twice 38 :TDHGPDMED 1cm7A 40 :TSHYDVGGA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.20882 Ang CB(48) at 35.177 30.7773 32.025 in (null):M-9999 (7) and C(53) at 34.826 29.84 30.056 in (null):M-9999 (7) self-bump: 1.3122 Ang CA(47) at 35.885 30.416 30.981 in (null):M-9999 (7) and CB(48) at 35.177 30.7773 32.025 in (null):M-9999 (7) neighbor-bump: 2.81556 Ang CD2(21) at 40.024 36.985 22.443 in (null):H-9999 (3) and N(27) at 42.204 36.491 24.155 in (null):G-9999 (4) Number of specific fragments= 1 total=1005 # 1g7sA.38.38 read from T0147_twice.t2k.frag # found chain 1g7sA in template set T0147_twice 38 :TDHGPDMED 1g7sA 39 :TQHIGATEI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.77883 Ang OE2(60) at 17.815 36.451 42.436 in (null):E-9999 (8) and C(70) at 16.001 34.382 42.824 in (null):D-9999 (9) neighbor-bump: 2.40531 Ang OE2(60) at 17.815 36.451 42.436 in (null):E-9999 (8) and N(63) at 16.231 35.616 40.83 in (null):D-9999 (9) self-bump: 2.62946 Ang OE2(60) at 17.815 36.451 42.436 in (null):E-9999 (8) and C(62) at 15.985 36.9 40.602 in (null):E-9999 (8) other bump:2.19056 Ang CB(19) at 18.303 43.382 37.028 in (null):H-9999 (3) and OD1(42) at 19.1888 42.2669 35.3635 in (null):D-9999 (6) neighbor-bump: 1.72671 Ang CA(28) at 17.769 45.889 33.446 in (null):G-9999 (4) and CD(35) at 17.8741 45.2569 31.8426 in (null):P-9999 (5) self-bump: 1.2533 Ang N(31) at 17.614 44.031 31.858 in (null):P-9999 (5) and CD(35) at 17.8741 45.2569 31.8426 in (null):P-9999 (5) neighbor-bump: 2.23023 Ang O(29) at 19.549 44.318 32.977 in (null):G-9999 (4) and CD(35) at 17.8741 45.2569 31.8426 in (null):P-9999 (5) neighbor-bump: 1.1738 Ang C(30) at 18.393 44.675 32.72 in (null):G-9999 (4) and CD(35) at 17.8741 45.2569 31.8426 in (null):P-9999 (5) neighbor-bump: 3.01543 Ang CA(28) at 17.769 45.889 33.446 in (null):G-9999 (4) and CG(34) at 18.8927 45.2658 30.718 in (null):P-9999 (5) self-bump: 2.11172 Ang N(31) at 17.614 44.031 31.858 in (null):P-9999 (5) and CG(34) at 18.8927 45.2658 30.718 in (null):P-9999 (5) neighbor-bump: 2.53614 Ang O(29) at 19.549 44.318 32.977 in (null):G-9999 (4) and CG(34) at 18.8927 45.2658 30.718 in (null):P-9999 (5) neighbor-bump: 2.1463 Ang C(30) at 18.393 44.675 32.72 in (null):G-9999 (4) and CG(34) at 18.8927 45.2658 30.718 in (null):P-9999 (5) neighbor-bump: 2.26741 Ang O(29) at 19.549 44.318 32.977 in (null):G-9999 (4) and CB(33) at 19.4867 43.8916 30.7509 in (null):P-9999 (5) neighbor-bump: 2.38479 Ang C(30) at 18.393 44.675 32.72 in (null):G-9999 (4) and CB(33) at 19.4867 43.8916 30.7509 in (null):P-9999 (5) Number of specific fragments= 1 total=1006 # 1qtwA.38.40 read from T0147_twice.t2k.frag # found chain 1qtwA in training set T0147_twice 38 :TDHGPDMED 1qtwA 41 :AAPLTTQTI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1007 # 1f66C.38.41 read from T0147_twice.t2k.frag # adding 1f66C to template set 1f66C:# found chain 1f66C in template set T0147_twice 38 :TDHGPDMED 1f66C 841 :TSHGRVGAT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.29268 Ang CA(10) at 7.088 29.12 8.441 in (null):D-9999 (2) and CB(11) at 6.4596 29.883 7.60798 in (null):D-9999 (2) self-bump: 2.46833 Ang CG2(5) at 5.322 24.832 10.689 in (null):T-9999 (1) and O(7) at 5.798 27.128 9.918 in (null):T-9999 (1) Number of specific fragments= 1 total=1008 # 1e7wA.39.39 read from T0147_twice.t2k.frag # found chain 1e7wA in template set T0147_twice 39 :DHGPDMEDA 1e7wA 37 :YHRSAAEAN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.498 Ang OD2(7) at 20.6015 19.6506 -2.32781 in (null):D-9999 (1) and CB(58) at 20.2107 17.878 -4.04393 in (null):D-9999 (8) Number of specific fragments= 1 total=1009 # 1ptf.39.39 read from T0147_twice.t2k.frag # found chain 1ptf in training set T0147_twice 39 :DHGPDMEDA 1ptf 40 :KSVNLKSIM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1010 # 1qtwA.39.41 read from T0147_twice.t2k.frag # found chain 1qtwA in training set T0147_twice 39 :DHGPDMEDA 1qtwA 42 :APLTTQTID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1011 # 1fwcB.39.39 read from T0147_twice.t2k.frag # found chain 1fwcB in template set T0147_twice 39 :DHGPDMEDA 1fwcB 40 :YHFAEVNPA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.23144 Ang OD1(6) at 53.1586 65.3294 116.269 in (null):D-9999 (1) and CE(44) at 53.1401 65.3198 118.5 in (null):M-9999 (6) other bump:2.73158 Ang CG(5) at 53.9471 66.2774 116.073 in (null):D-9999 (1) and CE(44) at 53.1401 65.3198 118.5 in (null):M-9999 (6) other bump:2.24221 Ang ND1(15) at 47.388 62.556 115.932 in (null):H-9999 (2) and OD1(35) at 48.6487 60.7023 115.975 in (null):D-9999 (5) other bump:2.82244 Ang CD2(14) at 46.49 64.422 116.622 in (null):H-9999 (2) and CD(28) at 47.358 64.2245 119.3 in (null):P-9999 (4) other bump:2.65697 Ang CD2(14) at 46.49 64.422 116.622 in (null):H-9999 (2) and CG(27) at 46.699 62.9589 118.83 in (null):P-9999 (4) other bump:2.21964 Ang NE2(17) at 45.663 63.363 116.909 in (null):H-9999 (2) and CG(27) at 46.699 62.9589 118.83 in (null):P-9999 (4) Number of specific fragments= 1 total=1012 # 2kauB.39.39 read from T0147_twice.t2k.frag # found chain 2kauB in template set T0147_twice 39 :DHGPDMEDA 2kauB 40 :YHFAEVNPA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.13234 Ang OD1(6) at 53.159 65.324 116.378 in (null):D-9999 (1) and CE(44) at 53.1733 65.2824 118.51 in (null):M-9999 (6) other bump:2.64039 Ang CG(5) at 53.9363 66.2826 116.188 in (null):D-9999 (1) and CE(44) at 53.1733 65.2824 118.51 in (null):M-9999 (6) other bump:1.98666 Ang ND1(15) at 47.568 62.374 116.049 in (null):H-9999 (2) and OD1(35) at 48.6815 60.7306 115.971 in (null):D-9999 (5) other bump:2.89669 Ang CD2(14) at 46.525 64.23 116.526 in (null):H-9999 (2) and CD(28) at 47.4316 64.2774 119.277 in (null):P-9999 (4) neighbor-bump: 2.6757 Ang N(20) at 49.41 65.99 118.718 in (null):G-9999 (3) and CD(28) at 47.4316 64.2774 119.277 in (null):P-9999 (4) other bump:2.95173 Ang C(19) at 49.754 65.202 117.707 in (null):H-9999 (2) and CD(28) at 47.4316 64.2774 119.277 in (null):P-9999 (4) other bump:2.98389 Ang CG(13) at 47.678 63.748 116.01 in (null):H-9999 (2) and CG(27) at 46.749 63.0441 118.757 in (null):P-9999 (4) other bump:2.53637 Ang CD2(14) at 46.525 64.23 116.526 in (null):H-9999 (2) and CG(27) at 46.749 63.0441 118.757 in (null):P-9999 (4) other bump:2.14339 Ang NE2(17) at 45.749 63.15 116.864 in (null):H-9999 (2) and CG(27) at 46.749 63.0441 118.757 in (null):P-9999 (4) Number of specific fragments= 1 total=1013 # 1ejrB.39.39 read from T0147_twice.t2k.frag # found chain 1ejrB in template set T0147_twice 39 :DHGPDMEDA 1ejrB 2040 :YHFAEVNPA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.22569 Ang OD1(6) at 53.0697 65.2625 116.168 in (null):D-9999 (1) and CE(44) at 53.0352 65.2611 118.393 in (null):M-9999 (6) other bump:2.72574 Ang CG(5) at 53.8537 66.2148 115.974 in (null):D-9999 (1) and CE(44) at 53.0352 65.2611 118.393 in (null):M-9999 (6) other bump:2.17097 Ang ND1(15) at 47.325 62.465 115.722 in (null):H-9999 (2) and OD1(35) at 48.5669 60.6881 115.837 in (null):D-9999 (5) other bump:2.88862 Ang CD2(14) at 46.424 64.313 116.467 in (null):H-9999 (2) and CD(28) at 47.3116 64.1627 119.212 in (null):P-9999 (4) other bump:2.69097 Ang CD2(14) at 46.424 64.313 116.467 in (null):H-9999 (2) and CG(27) at 46.6331 62.9042 118.75 in (null):P-9999 (4) other bump:2.31053 Ang NE2(17) at 45.595 63.243 116.714 in (null):H-9999 (2) and CG(27) at 46.6331 62.9042 118.75 in (null):P-9999 (4) Number of specific fragments= 1 total=1014 # 1ptf.40.40 read from T0147_twice.t2k.frag # found chain 1ptf in training set T0147_twice 40 :HGPDMEDAP 1ptf 41 :SVNLKSIMG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.30292 Ang CA(40) at 9.413 0.609 2.569 in (null):E-9999 (6) and CD(65) at 9.74851 3.02791 4.79286 in (null):P-9999 (9) other bump:2.48788 Ang CB(41) at 8.44798 1.43954 3.38743 in (null):E-9999 (6) and CD(65) at 9.74851 3.02791 4.79286 in (null):P-9999 (9) other bump:2.94512 Ang C(47) at 10.834 0.901 3.069 in (null):E-9999 (6) and CD(65) at 9.74851 3.02791 4.79286 in (null):P-9999 (9) other bump:2.5112 Ang OE1(44) at 6.55898 3.29957 4.29569 in (null):E-9999 (6) and CG(64) at 8.56379 2.48127 5.56739 in (null):P-9999 (9) other bump:2.41885 Ang CB(41) at 8.44798 1.43954 3.38743 in (null):E-9999 (6) and CG(64) at 8.56379 2.48127 5.56739 in (null):P-9999 (9) Number of specific fragments= 1 total=1015 # 1qtwA.40.42 read from T0147_twice.t2k.frag # found chain 1qtwA in training set T0147_twice 40 :HGPDMEDAP 1qtwA 43 :PLTTQTIDE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1016 # 1qumA.40.42 read from T0147_twice.t2k.frag # adding 1qumA to template set 1qumA:Skipped atom 70, because occupancy 1 <= existing 1 Skipped atom 266, because occupancy 1 <= existing 1 Skipped atom 268, because occupancy 1 <= existing 1 Skipped atom 270, because occupancy 1 <= existing 1 Skipped atom 272, because occupancy 1 <= existing 1 Skipped atom 274, because occupancy 1 <= existing 1 Skipped atom 1140, because occupancy 1 <= existing 1 Skipped atom 1142, because occupancy 1 <= existing 1 Skipped atom 1574, because occupancy 1 <= existing 1 Skipped atom 1576, because occupancy 1 <= existing 1 Skipped atom 1578, because occupancy 1 <= existing 1 Skipped atom 1580, because occupancy 1 <= existing 1 Skipped atom 1582, because occupancy 1 <= existing 1 Skipped atom 1584, because occupancy 1 <= existing 1 Skipped atom 1591, because occupancy 1 <= existing 1 Skipped atom 1593, because occupancy 1 <= existing 1 Skipped atom 1666, because occupancy 1 <= existing 1 Skipped atom 1668, because occupancy 1 <= existing 1 Skipped atom 1670, because occupancy 1 <= existing 1 # found chain 1qumA in template set T0147_twice 40 :HGPDMEDAP 1qumA 43 :PLTTQTIDE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87361 Ang CG(19) at 114.302 7.28396 35.7961 in (null):P-9999 (3) and CD(43) at 113.775 8.43695 33.2174 in (null):E-9999 (6) other bump:2.97159 Ang CD(20) at 115.043 6.33082 34.8867 in (null):P-9999 (3) and CD(43) at 113.775 8.43695 33.2174 in (null):E-9999 (6) other bump:2.91822 Ang CG(19) at 114.302 7.28396 35.7961 in (null):P-9999 (3) and CG(42) at 112.445 8.54867 33.9345 in (null):E-9999 (6) Number of specific fragments= 1 total=1017 # 2kauB.40.40 read from T0147_twice.t2k.frag # found chain 2kauB in template set T0147_twice 40 :HGPDMEDAP 2kauB 41 :HFAEVNPAL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.05899 Ang O(46) at 55.702 60.29 123.771 in (null):E-9999 (6) and CD(65) at 56.668 60.9999 125.445 in (null):P-9999 (9) other bump:2.95721 Ang C(47) at 56.215 59.62 122.869 in (null):E-9999 (6) and CD(65) at 56.668 60.9999 125.445 in (null):P-9999 (9) other bump:1.98666 Ang ND1(7) at 47.568 62.374 116.049 in (null):H-9999 (1) and OD1(27) at 48.6815 60.7306 115.971 in (null):D-9999 (4) other bump:2.89669 Ang CD2(6) at 46.525 64.23 116.526 in (null):H-9999 (1) and CD(20) at 47.4316 64.2774 119.277 in (null):P-9999 (3) neighbor-bump: 2.6757 Ang N(12) at 49.41 65.99 118.718 in (null):G-9999 (2) and CD(20) at 47.4316 64.2774 119.277 in (null):P-9999 (3) other bump:2.95173 Ang C(11) at 49.754 65.202 117.707 in (null):H-9999 (1) and CD(20) at 47.4316 64.2774 119.277 in (null):P-9999 (3) other bump:2.14339 Ang NE2(9) at 45.749 63.15 116.864 in (null):H-9999 (1) and CG(19) at 46.749 63.0441 118.757 in (null):P-9999 (3) other bump:2.98389 Ang CG(5) at 47.678 63.748 116.01 in (null):H-9999 (1) and CG(19) at 46.749 63.0441 118.757 in (null):P-9999 (3) other bump:2.53637 Ang CD2(6) at 46.525 64.23 116.526 in (null):H-9999 (1) and CG(19) at 46.749 63.0441 118.757 in (null):P-9999 (3) Number of specific fragments= 1 total=1018 # 1fwcB.40.40 read from T0147_twice.t2k.frag # found chain 1fwcB in template set T0147_twice 40 :HGPDMEDAP 1fwcB 41 :HFAEVNPAL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.94342 Ang O(46) at 55.766 60.297 123.818 in (null):E-9999 (6) and CD(65) at 56.6727 60.9785 125.396 in (null):P-9999 (9) other bump:2.89141 Ang C(47) at 56.212 59.636 122.877 in (null):E-9999 (6) and CD(65) at 56.6727 60.9785 125.396 in (null):P-9999 (9) other bump:2.24221 Ang ND1(7) at 47.388 62.556 115.932 in (null):H-9999 (1) and OD1(27) at 48.6487 60.7023 115.975 in (null):D-9999 (4) other bump:2.82244 Ang CD2(6) at 46.49 64.422 116.622 in (null):H-9999 (1) and CD(20) at 47.358 64.2245 119.3 in (null):P-9999 (3) other bump:2.21964 Ang NE2(9) at 45.663 63.363 116.909 in (null):H-9999 (1) and CG(19) at 46.699 62.9589 118.83 in (null):P-9999 (3) other bump:2.65697 Ang CD2(6) at 46.49 64.422 116.622 in (null):H-9999 (1) and CG(19) at 46.699 62.9589 118.83 in (null):P-9999 (3) Number of specific fragments= 1 total=1019 # 1ejrB.40.40 read from T0147_twice.t2k.frag # found chain 1ejrB in template set T0147_twice 40 :HGPDMEDAP 1ejrB 2041 :HFAEVNPAL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.84569 Ang O(46) at 55.727 60.285 123.731 in (null):E-9999 (6) and CD(65) at 56.5399 60.9586 125.245 in (null):P-9999 (9) other bump:2.82322 Ang C(47) at 56.16 59.619 122.789 in (null):E-9999 (6) and CD(65) at 56.5399 60.9586 125.245 in (null):P-9999 (9) other bump:2.17097 Ang ND1(7) at 47.325 62.465 115.722 in (null):H-9999 (1) and OD1(27) at 48.5669 60.6881 115.837 in (null):D-9999 (4) other bump:2.88862 Ang CD2(6) at 46.424 64.313 116.467 in (null):H-9999 (1) and CD(20) at 47.3116 64.1627 119.212 in (null):P-9999 (3) other bump:2.31053 Ang NE2(9) at 45.595 63.243 116.714 in (null):H-9999 (1) and CG(19) at 46.6331 62.9042 118.75 in (null):P-9999 (3) other bump:2.69097 Ang CD2(6) at 46.424 64.313 116.467 in (null):H-9999 (1) and CG(19) at 46.6331 62.9042 118.75 in (null):P-9999 (3) Number of specific fragments= 1 total=1020 # 1ptf.41.41 read from T0147_twice.t2k.frag # found chain 1ptf in training set T0147_twice 41 :GPDMEDAPH 1ptf 42 :VNLKSIMGV Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87222 Ang C(20) at 9.642 -3.752 3.729 in (null):D-9999 (3) and NE2(65) at 11.5554 -3.27666 5.81769 in (null):H-9999 (9) other bump:2.30451 Ang CA(14) at 9.487 -4.085 5.202 in (null):D-9999 (3) and NE2(65) at 11.5554 -3.27666 5.81769 in (null):H-9999 (9) other bump:3.20707 Ang CA(14) at 9.487 -4.085 5.202 in (null):D-9999 (3) and CD2(62) at 11.8046 -1.9194 5.67567 in (null):H-9999 (9) other bump:2.48788 Ang CB(31) at 8.44798 1.43954 3.38743 in (null):E-9999 (5) and CD(55) at 9.74851 3.02791 4.79286 in (null):P-9999 (8) other bump:3.30292 Ang CA(30) at 9.413 0.609 2.569 in (null):E-9999 (5) and CD(55) at 9.74851 3.02791 4.79286 in (null):P-9999 (8) other bump:2.94512 Ang C(37) at 10.834 0.901 3.069 in (null):E-9999 (5) and CD(55) at 9.74851 3.02791 4.79286 in (null):P-9999 (8) other bump:2.41885 Ang CB(31) at 8.44798 1.43954 3.38743 in (null):E-9999 (5) and CG(54) at 8.56379 2.48127 5.56739 in (null):P-9999 (8) other bump:2.5112 Ang OE1(34) at 6.55898 3.29957 4.29569 in (null):E-9999 (5) and CG(54) at 8.56379 2.48127 5.56739 in (null):P-9999 (8) Number of specific fragments= 1 total=1021 # 1qtwA.41.43 read from T0147_twice.t2k.frag # found chain 1qtwA in training set T0147_twice 41 :GPDMEDAPH 1qtwA 44 :LTTQTIDEF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1022 # 1qumA.41.43 read from T0147_twice.t2k.frag # found chain 1qumA in template set T0147_twice 41 :GPDMEDAPH 1qumA 44 :LTTQTIDEF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87361 Ang CG(9) at 114.302 7.28396 35.7961 in (null):P-9999 (2) and CD(33) at 113.775 8.43695 33.2174 in (null):E-9999 (5) other bump:2.97159 Ang CD(10) at 115.043 6.33082 34.8867 in (null):P-9999 (2) and CD(33) at 113.775 8.43695 33.2174 in (null):E-9999 (5) other bump:2.91822 Ang CG(9) at 114.302 7.28396 35.7961 in (null):P-9999 (2) and CG(32) at 112.445 8.54867 33.9345 in (null):E-9999 (5) Number of specific fragments= 1 total=1023 # 1ixmB.41.42 read from T0147_twice.t2k.frag # adding 1ixmB to template set 1ixmB:# found chain 1ixmB in template set T0147_twice 41 :GPDMEDAPH 1ixmB 243 :LSLQKYDRV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.55126 Ang N(2) at -20.508 43.355 88.02 in (null):G-9999 (1) and CD(10) at -20.8519 45.6021 86.8618 in (null):P-9999 (2) Number of specific fragments= 1 total=1024 # 1g6sA.41.41 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 41 :GPDMEDAPH 1g6sA 42 :TNLLDSDDV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35775 Ang CG(24) at 67.067 18.8135 30.7604 in (null):M-9999 (4) and OD2(43) at 66.8754 16.4974 30.3628 in (null):D-9999 (6) other bump:3.26209 Ang SD(25) at 67.4824 18.8734 32.514 in (null):M-9999 (4) and OD2(43) at 66.8754 16.4974 30.3628 in (null):D-9999 (6) other bump:2.78445 Ang CG(24) at 67.067 18.8135 30.7604 in (null):M-9999 (4) and CG(41) at 67.8193 16.4294 29.5343 in (null):D-9999 (6) neighbor-bump: 1.85253 Ang O(4) at 63.953 28.304 29.767 in (null):G-9999 (1) and CD(10) at 64.7317 29.1366 31.2272 in (null):P-9999 (2) neighbor-bump: 1.50705 Ang C(5) at 65.104 28.805 29.805 in (null):G-9999 (1) and CD(10) at 64.7317 29.1366 31.2272 in (null):P-9999 (2) self-bump: 2.20296 Ang CA(7) at 65.852 27.271 31.57 in (null):P-9999 (2) and CD(10) at 64.7317 29.1366 31.2272 in (null):P-9999 (2) neighbor-bump: 2.85771 Ang C(5) at 65.104 28.805 29.805 in (null):G-9999 (1) and CG(9) at 65.2467 29.1434 32.639 in (null):P-9999 (2) Number of specific fragments= 1 total=1025 # 1eps.41.41 read from T0147_twice.t2k.frag # adding 1eps to template set 1eps:# found chain 1eps in template set Number of specific fragments= 0 total=1025 # 1ptf.42.42 read from T0147_twice.t2k.frag # found chain 1ptf in training set T0147_twice 42 :PDMEDAPHH 1ptf 43 :NLKSIMGVM Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48788 Ang CB(27) at 8.44798 1.43954 3.38744 in (null):E-9999 (4) and CD(51) at 9.74851 3.02791 4.79286 in (null):P-9999 (7) other bump:3.30292 Ang CA(26) at 9.413 0.609 2.569 in (null):E-9999 (4) and CD(51) at 9.74851 3.02791 4.79286 in (null):P-9999 (7) other bump:2.94512 Ang C(33) at 10.834 0.901 3.069 in (null):E-9999 (4) and CD(51) at 9.74851 3.02791 4.79286 in (null):P-9999 (7) other bump:2.41885 Ang CB(27) at 8.44798 1.43954 3.38744 in (null):E-9999 (4) and CG(50) at 8.56379 2.48127 5.56739 in (null):P-9999 (7) other bump:2.5112 Ang OE1(30) at 6.55898 3.29957 4.29569 in (null):E-9999 (4) and CG(50) at 8.56379 2.48127 5.56739 in (null):P-9999 (7) Number of specific fragments= 1 total=1026 # 1qtwA.42.44 read from T0147_twice.t2k.frag # found chain 1qtwA in training set T0147_twice 42 :PDMEDAPHH 1qtwA 45 :TTQTIDEFK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1027 # 1g6sA.42.42 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 42 :PDMEDAPHH 1g6sA 43 :NLLDSDDVR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35775 Ang CG(20) at 67.067 18.8135 30.7604 in (null):M-9999 (3) and OD2(39) at 66.8754 16.4974 30.3628 in (null):D-9999 (5) other bump:3.26209 Ang SD(21) at 67.4824 18.8734 32.514 in (null):M-9999 (3) and OD2(39) at 66.8754 16.4974 30.3628 in (null):D-9999 (5) other bump:2.78445 Ang CG(20) at 67.067 18.8135 30.7604 in (null):M-9999 (3) and CG(37) at 67.8193 16.4294 29.5343 in (null):D-9999 (5) neighbor-bump: 1.85253 Ang O(0) at 63.953 28.304 29.767 in (null):G-9999 (0) and CD(6) at 64.7318 29.1366 31.2272 in (null):P-9999 (1) neighbor-bump: 1.50704 Ang C(1) at 65.104 28.805 29.805 in (null):G-9999 (0) and CD(6) at 64.7318 29.1366 31.2272 in (null):P-9999 (1) self-bump: 2.20296 Ang CA(3) at 65.852 27.271 31.57 in (null):P-9999 (1) and CD(6) at 64.7318 29.1366 31.2272 in (null):P-9999 (1) neighbor-bump: 2.85771 Ang C(1) at 65.104 28.805 29.805 in (null):G-9999 (0) and CG(5) at 65.2467 29.1435 32.639 in (null):P-9999 (1) Number of specific fragments= 1 total=1028 # 1eps.42.42 read from T0147_twice.t2k.frag # found chain 1eps in template set Number of specific fragments= 0 total=1028 # 1ixmB.42.43 read from T0147_twice.t2k.frag # found chain 1ixmB in template set T0147_twice 42 :PDMEDAPHH 1ixmB 244 :SLQKYDRVF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1029 # 1qumA.42.44 read from T0147_twice.t2k.frag # found chain 1qumA in template set T0147_twice 42 :PDMEDAPHH 1qumA 45 :TTQTIDEFK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8736 Ang CG(5) at 114.302 7.28396 35.7961 in (null):P-9999 (1) and CD(29) at 113.775 8.43695 33.2174 in (null):E-9999 (4) other bump:2.97159 Ang CD(6) at 115.043 6.33082 34.8867 in (null):P-9999 (1) and CD(29) at 113.775 8.43695 33.2174 in (null):E-9999 (4) other bump:2.91821 Ang CG(5) at 114.302 7.28396 35.7961 in (null):P-9999 (1) and CG(28) at 112.445 8.54867 33.9346 in (null):E-9999 (4) Number of specific fragments= 1 total=1030 # 1ptf.43.43 read from T0147_twice.t2k.frag # found chain 1ptf in training set T0147_twice 43 :DMEDAPHHW 1ptf 44 :LKSIMGVMS Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.89365 Ang CA(41) at 10.299 2.799 7.145 in (null):P-9999 (6) and NE1(75) at 9.70464 2.7945 8.94295 in (null):W-9999 (9) other bump:2.41596 Ang CB(42) at 9.17735 1.85406 6.78092 in (null):P-9999 (6) and NE1(75) at 9.70464 2.7945 8.94295 in (null):W-9999 (9) other bump:2.23635 Ang C(46) at 11.494 2.081 7.807 in (null):P-9999 (6) and NE1(75) at 9.70464 2.7945 8.94295 in (null):W-9999 (9) other bump:2.07498 Ang O(45) at 11.692 2.206 9.041 in (null):P-9999 (6) and NE1(75) at 9.70464 2.7945 8.94295 in (null):W-9999 (9) other bump:2.53924 Ang O(45) at 11.692 2.206 9.041 in (null):P-9999 (6) and CE2(73) at 9.53222 2.64971 10.3004 in (null):W-9999 (9) other bump:2.92958 Ang N(40) at 10.679 3.405 5.84 in (null):P-9999 (6) and CD1(71) at 10.5948 3.83153 8.73714 in (null):W-9999 (9) other bump:1.92056 Ang CA(41) at 10.299 2.799 7.145 in (null):P-9999 (6) and CD1(71) at 10.5948 3.83153 8.73714 in (null):W-9999 (9) other bump:2.1767 Ang C(46) at 11.494 2.081 7.807 in (null):P-9999 (6) and CD1(71) at 10.5948 3.83153 8.73714 in (null):W-9999 (9) other bump:1.98456 Ang O(45) at 11.692 2.206 9.041 in (null):P-9999 (6) and CD1(71) at 10.5948 3.83153 8.73714 in (null):W-9999 (9) other bump:2.60798 Ang O(38) at 12.215 4.739 6.906 in (null):A-9999 (5) and CD1(71) at 10.5948 3.83153 8.73714 in (null):W-9999 (9) other bump:3.14877 Ang C(46) at 11.494 2.081 7.807 in (null):P-9999 (6) and CG(70) at 11.0123 4.36442 9.92091 in (null):W-9999 (9) other bump:2.42798 Ang O(45) at 11.692 2.206 9.041 in (null):P-9999 (6) and CG(70) at 11.0123 4.36442 9.92091 in (null):W-9999 (9) other bump:2.48788 Ang CB(20) at 8.44798 1.43954 3.38743 in (null):E-9999 (3) and CD(44) at 9.74851 3.02791 4.79286 in (null):P-9999 (6) other bump:3.30292 Ang CA(19) at 9.413 0.609 2.569 in (null):E-9999 (3) and CD(44) at 9.74851 3.02791 4.79286 in (null):P-9999 (6) other bump:2.94512 Ang C(26) at 10.834 0.901 3.069 in (null):E-9999 (3) and CD(44) at 9.74851 3.02791 4.79286 in (null):P-9999 (6) other bump:2.41885 Ang CB(20) at 8.44798 1.43954 3.38743 in (null):E-9999 (3) and CG(43) at 8.56379 2.48127 5.56739 in (null):P-9999 (6) other bump:2.5112 Ang OE1(23) at 6.55898 3.29957 4.29569 in (null):E-9999 (3) and CG(43) at 8.56379 2.48127 5.56739 in (null):P-9999 (6) Number of specific fragments= 1 total=1031 # 1qtwA.43.45 read from T0147_twice.t2k.frag # found chain 1qtwA in training set T0147_twice 43 :DMEDAPHHW 1qtwA 46 :TQTIDEFKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1032 # 1g6sA.43.43 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 43 :DMEDAPHHW 1g6sA 44 :LLDSDDVRH Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.34142 Ang OD2(7) at 67.6551 22.9576 26.355 in (null):D-9999 (1) and NE2(54) at 68.2662 21.7322 24.4558 in (null):H-9999 (7) other bump:2.35775 Ang CG(13) at 67.067 18.8135 30.7604 in (null):M-9999 (2) and OD2(32) at 66.8754 16.4974 30.3628 in (null):D-9999 (4) other bump:3.26209 Ang SD(14) at 67.4824 18.8734 32.514 in (null):M-9999 (2) and OD2(32) at 66.8754 16.4974 30.3628 in (null):D-9999 (4) other bump:2.78445 Ang CG(13) at 67.067 18.8135 30.7604 in (null):M-9999 (2) and CG(30) at 67.8193 16.4294 29.5343 in (null):D-9999 (4) Number of specific fragments= 1 total=1033 # 1eps.43.43 read from T0147_twice.t2k.frag # found chain 1eps in template set Number of specific fragments= 0 total=1033 # 1qumA.43.45 read from T0147_twice.t2k.frag # found chain 1qumA in template set T0147_twice 43 :DMEDAPHHW 1qumA 46 :TQTIDEFKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1034 # 1ihjA.43.43 read from T0147_twice.t2k.frag # adding 1ihjA to template set 1ihjA:# found chain 1ihjA in template set T0147_twice 43 :DMEDAPHHW 1ihjA 53 :IVPDSPAHL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.99215 Ang OD1(31) at -8.977 15.563 1.503 in (null):D-9999 (4) and CZ2(76) at -7.24829 17.3793 -0.129604 in (null):W-9999 (9) other bump:3.12355 Ang CG(30) at -9.528 14.754 2.277 in (null):D-9999 (4) and NE1(75) at -6.72233 15.2292 0.98899 in (null):W-9999 (9) other bump:2.33649 Ang OD1(31) at -8.977 15.563 1.503 in (null):D-9999 (4) and NE1(75) at -6.72233 15.2292 0.98899 in (null):W-9999 (9) other bump:2.78291 Ang OD2(7) at -6.86872 7.53376 -3.15996 in (null):D-9999 (1) and CA(58) at -5.614 9.961 -2.632 in (null):H-9999 (8) other bump:2.75852 Ang CB(4) at -7.53625 5.25646 -3.47503 in (null):D-9999 (1) and CD2(51) at -4.86661 5.39446 -2.7943 in (null):H-9999 (7) other bump:2.08871 Ang CG(5) at -6.72648 6.34502 -2.79136 in (null):D-9999 (1) and CD2(51) at -4.86661 5.39446 -2.7943 in (null):H-9999 (7) other bump:1.54158 Ang OD1(6) at -5.94536 6.00711 -1.87919 in (null):D-9999 (1) and CD2(51) at -4.86661 5.39446 -2.7943 in (null):H-9999 (7) other bump:3.09914 Ang CG(5) at -6.72648 6.34502 -2.79136 in (null):D-9999 (1) and CG(50) at -3.7967 5.69745 -2.01565 in (null):H-9999 (7) other bump:2.17514 Ang OD1(6) at -5.94536 6.00711 -1.87919 in (null):D-9999 (1) and CG(50) at -3.7967 5.69745 -2.01565 in (null):H-9999 (7) other bump:2.56706 Ang OD1(6) at -5.94536 6.00711 -1.87919 in (null):D-9999 (1) and CB(49) at -3.69847 6.44806 -0.718657 in (null):H-9999 (7) Number of specific fragments= 1 total=1035 # 1qtwA.44.46 read from T0147_twice.t2k.frag # found chain 1qtwA in training set T0147_twice 44 :MEDAPHHWH 1qtwA 47 :QTIDEFKAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1036 # 1g6sA.44.44 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 44 :MEDAPHHWH 1g6sA 45 :LDSDDVRHM Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35111 Ang CG(5) at 66.9944 18.7983 30.8314 in (null):M-9999 (1) and OD2(24) at 66.8754 16.4974 30.3628 in (null):D-9999 (3) other bump:1.46901 Ang SD(6) at 65.933 17.3469 31.1033 in (null):M-9999 (1) and OD2(24) at 66.8754 16.4974 30.3628 in (null):D-9999 (3) other bump:1.15551 Ang CE(7) at 66.0882 16.4973 29.5169 in (null):M-9999 (1) and OD2(24) at 66.8754 16.4974 30.3628 in (null):D-9999 (3) other bump:2.01544 Ang CE(7) at 66.0882 16.4973 29.5169 in (null):M-9999 (1) and OD1(23) at 67.6947 16.8 28.3381 in (null):D-9999 (3) other bump:2.82393 Ang CG(5) at 66.9944 18.7983 30.8314 in (null):M-9999 (1) and CG(22) at 67.8193 16.4294 29.5343 in (null):D-9999 (3) other bump:2.61943 Ang SD(6) at 65.933 17.3469 31.1033 in (null):M-9999 (1) and CG(22) at 67.8193 16.4294 29.5343 in (null):D-9999 (3) other bump:1.73244 Ang CE(7) at 66.0882 16.4973 29.5169 in (null):M-9999 (1) and CG(22) at 67.8193 16.4294 29.5343 in (null):D-9999 (3) Number of specific fragments= 1 total=1037 # 1eps.44.44 read from T0147_twice.t2k.frag # found chain 1eps in template set Number of specific fragments= 0 total=1037 # 1ptf.44.44 read from T0147_twice.t2k.frag # found chain 1ptf in training set T0147_twice 44 :MEDAPHHWH 1ptf 45 :KSIMGVMSL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41595 Ang CB(34) at 9.17735 1.85406 6.78092 in (null):P-9999 (5) and NE1(67) at 9.70464 2.7945 8.94295 in (null):W-9999 (8) other bump:1.89365 Ang CA(33) at 10.299 2.799 7.145 in (null):P-9999 (5) and NE1(67) at 9.70464 2.7945 8.94295 in (null):W-9999 (8) other bump:2.07498 Ang O(37) at 11.692 2.206 9.041 in (null):P-9999 (5) and NE1(67) at 9.70464 2.7945 8.94295 in (null):W-9999 (8) other bump:2.23635 Ang C(38) at 11.494 2.081 7.807 in (null):P-9999 (5) and NE1(67) at 9.70464 2.7945 8.94295 in (null):W-9999 (8) other bump:2.53924 Ang O(37) at 11.692 2.206 9.041 in (null):P-9999 (5) and CE2(65) at 9.53222 2.64971 10.3004 in (null):W-9999 (8) other bump:2.92958 Ang N(32) at 10.679 3.405 5.84 in (null):P-9999 (5) and CD1(63) at 10.5948 3.83153 8.73714 in (null):W-9999 (8) other bump:1.92056 Ang CA(33) at 10.299 2.799 7.145 in (null):P-9999 (5) and CD1(63) at 10.5948 3.83153 8.73714 in (null):W-9999 (8) other bump:1.98456 Ang O(37) at 11.692 2.206 9.041 in (null):P-9999 (5) and CD1(63) at 10.5948 3.83153 8.73714 in (null):W-9999 (8) other bump:2.1767 Ang C(38) at 11.494 2.081 7.807 in (null):P-9999 (5) and CD1(63) at 10.5948 3.83153 8.73714 in (null):W-9999 (8) other bump:2.60797 Ang O(30) at 12.215 4.739 6.906 in (null):A-9999 (4) and CD1(63) at 10.5948 3.83153 8.73714 in (null):W-9999 (8) other bump:2.42798 Ang O(37) at 11.692 2.206 9.041 in (null):P-9999 (5) and CG(62) at 11.0123 4.36442 9.92091 in (null):W-9999 (8) other bump:3.14877 Ang C(38) at 11.494 2.081 7.807 in (null):P-9999 (5) and CG(62) at 11.0123 4.36442 9.92091 in (null):W-9999 (8) other bump:2.48788 Ang CB(12) at 8.44798 1.43954 3.38743 in (null):E-9999 (2) and CD(36) at 9.74851 3.02791 4.79286 in (null):P-9999 (5) other bump:3.30292 Ang CA(11) at 9.413 0.609 2.569 in (null):E-9999 (2) and CD(36) at 9.74851 3.02791 4.79286 in (null):P-9999 (5) other bump:2.94512 Ang C(18) at 10.834 0.901 3.069 in (null):E-9999 (2) and CD(36) at 9.74851 3.02791 4.79286 in (null):P-9999 (5) other bump:2.41885 Ang CB(12) at 8.44798 1.43954 3.38743 in (null):E-9999 (2) and CG(35) at 8.56379 2.48127 5.56739 in (null):P-9999 (5) other bump:2.5112 Ang OE1(15) at 6.55898 3.29957 4.29569 in (null):E-9999 (2) and CG(35) at 8.56379 2.48127 5.56739 in (null):P-9999 (5) Number of specific fragments= 1 total=1038 # 1qumA.44.46 read from T0147_twice.t2k.frag # found chain 1qumA in template set T0147_twice 44 :MEDAPHHWH 1qumA 47 :QTIDEFKAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1039 # 1ihjA.44.44 read from T0147_twice.t2k.frag # found chain 1ihjA in template set T0147_twice 44 :MEDAPHHWH 1ihjA 54 :VPDSPAHLC Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.99215 Ang OD1(23) at -8.977 15.563 1.503 in (null):D-9999 (3) and CZ2(68) at -7.24829 17.3793 -0.129598 in (null):W-9999 (8) other bump:3.12355 Ang CG(22) at -9.528 14.754 2.277 in (null):D-9999 (3) and NE1(67) at -6.72233 15.2292 0.988991 in (null):W-9999 (8) other bump:2.3365 Ang OD1(23) at -8.977 15.563 1.503 in (null):D-9999 (3) and NE1(67) at -6.72233 15.2292 0.988991 in (null):W-9999 (8) Number of specific fragments= 1 total=1040 # 1qtwA.45.47 read from T0147_twice.t2k.frag # found chain 1qtwA in training set T0147_twice 45 :EDAPHHWHF 1qtwA 48 :TIDEFKAAC Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17518 Ang CE1(37) at 57.0971 -3.08605 21.9381 in (null):H-9999 (5) and CZ(83) at 59.137 -2.4124 21.5972 in (null):F-9999 (9) other bump:2.15388 Ang NE2(38) at 57.2146 -1.84073 22.3823 in (null):H-9999 (5) and CZ(83) at 59.137 -2.4124 21.5972 in (null):F-9999 (9) other bump:2.1531 Ang CD2(35) at 56.4096 -1.66947 23.4813 in (null):H-9999 (5) and CE1(81) at 58.3797 -2.07639 22.7141 in (null):F-9999 (9) other bump:2.70882 Ang ND1(36) at 56.2272 -3.72086 22.7283 in (null):H-9999 (5) and CE1(81) at 58.3797 -2.07639 22.7141 in (null):F-9999 (9) other bump:1.80741 Ang CE1(37) at 57.0971 -3.08605 21.9381 in (null):H-9999 (5) and CE1(81) at 58.3797 -2.07639 22.7141 in (null):F-9999 (9) other bump:1.23418 Ang NE2(38) at 57.2146 -1.84073 22.3823 in (null):H-9999 (5) and CE1(81) at 58.3797 -2.07639 22.7141 in (null):F-9999 (9) other bump:2.64399 Ang CD2(35) at 56.4096 -1.66947 23.4813 in (null):H-9999 (5) and CD1(79) at 59.0031 -1.88596 23.9477 in (null):F-9999 (9) other bump:2.37723 Ang NE2(38) at 57.2146 -1.84073 22.3823 in (null):H-9999 (5) and CD1(79) at 59.0031 -1.88596 23.9477 in (null):F-9999 (9) Number of specific fragments= 1 total=1041 # 1g6sA.45.45 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 45 :EDAPHHWHF 1g6sA 46 :DSDDVRHML Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.99966 Ang ND1(36) at 66.5766 20.4104 24.5258 in (null):H-9999 (5) and CZ(83) at 68.0804 22.6398 23.1968 in (null):F-9999 (9) other bump:1.75317 Ang CE1(37) at 67.0027 21.5872 24.0937 in (null):H-9999 (5) and CZ(83) at 68.0804 22.6398 23.1968 in (null):F-9999 (9) other bump:2.87309 Ang CD2(35) at 68.6661 20.6097 25.1437 in (null):H-9999 (5) and CZ(83) at 68.0804 22.6398 23.1968 in (null):F-9999 (9) other bump:1.56312 Ang NE2(38) at 68.2662 21.7322 24.4558 in (null):H-9999 (5) and CZ(83) at 68.0804 22.6398 23.1968 in (null):F-9999 (9) other bump:2.46227 Ang CE1(37) at 67.0027 21.5872 24.0937 in (null):H-9999 (5) and CE2(82) at 67.5507 22.5692 21.9031 in (null):F-9999 (9) other bump:2.78003 Ang NE2(38) at 68.2662 21.7322 24.4558 in (null):H-9999 (5) and CE2(82) at 67.5507 22.5692 21.9031 in (null):F-9999 (9) other bump:2.33895 Ang CE1(37) at 67.0027 21.5872 24.0937 in (null):H-9999 (5) and CE1(81) at 69.2368 21.9624 23.5115 in (null):F-9999 (9) other bump:2.19535 Ang CD2(35) at 68.6661 20.6097 25.1437 in (null):H-9999 (5) and CE1(81) at 69.2368 21.9624 23.5115 in (null):F-9999 (9) other bump:1.37356 Ang NE2(38) at 68.2662 21.7322 24.4558 in (null):H-9999 (5) and CE1(81) at 69.2368 21.9624 23.5115 in (null):F-9999 (9) other bump:2.89798 Ang CD2(35) at 68.6661 20.6097 25.1437 in (null):H-9999 (5) and CD1(79) at 69.9016 21.16 22.5807 in (null):F-9999 (9) other bump:2.55297 Ang NE2(38) at 68.2662 21.7322 24.4558 in (null):H-9999 (5) and CD1(79) at 69.9016 21.16 22.5807 in (null):F-9999 (9) Number of specific fragments= 1 total=1042 # 1qumA.45.47 read from T0147_twice.t2k.frag # found chain 1qumA in template set T0147_twice 45 :EDAPHHWHF 1qumA 48 :TIDEFKAAC Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30485 Ang CE1(37) at 105.587 5.48994 27.3346 in (null):H-9999 (5) and CZ(83) at 103.836 4.61308 26.1193 in (null):F-9999 (9) other bump:2.18378 Ang NE2(38) at 105.337 4.22672 27.657 in (null):H-9999 (5) and CZ(83) at 103.836 4.61308 26.1193 in (null):F-9999 (9) other bump:2.21019 Ang CD2(35) at 105.607 4.03296 28.9892 in (null):H-9999 (5) and CE1(81) at 104.044 4.23008 27.4399 in (null):F-9999 (9) other bump:2.90424 Ang ND1(36) at 106.017 6.11439 28.434 in (null):H-9999 (5) and CE1(81) at 104.044 4.23008 27.4399 in (null):F-9999 (9) other bump:1.99502 Ang CE1(37) at 105.587 5.48994 27.3346 in (null):H-9999 (5) and CE1(81) at 104.044 4.23008 27.4399 in (null):F-9999 (9) other bump:1.31191 Ang NE2(38) at 105.337 4.22672 27.657 in (null):H-9999 (5) and CE1(81) at 104.044 4.23008 27.4399 in (null):F-9999 (9) other bump:2.74674 Ang CD2(35) at 105.607 4.03296 28.9892 in (null):H-9999 (5) and CD1(79) at 102.953 4.01264 28.2829 in (null):F-9999 (9) other bump:2.47422 Ang NE2(38) at 105.337 4.22672 27.657 in (null):H-9999 (5) and CD1(79) at 102.953 4.01264 28.2829 in (null):F-9999 (9) Number of specific fragments= 1 total=1043 # 1eps.45.45 read from T0147_twice.t2k.frag # found chain 1eps in template set Number of specific fragments= 0 total=1043 # 1ixmB.45.46 read from T0147_twice.t2k.frag # found chain 1ixmB in template set T0147_twice 45 :EDAPHHWHF 1ixmB 247 :KYDRVFEMI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77155 Ang CE1(37) at -14.7809 41.1814 87.9417 in (null):H-9999 (5) and CZ(83) at -12.732 40.1958 86.3569 in (null):F-9999 (9) other bump:3.02209 Ang ND1(36) at -15.9506 40.6368 88.2394 in (null):H-9999 (5) and CE1(81) at -13.114 39.7902 87.631 in (null):F-9999 (9) other bump:2.19332 Ang CE1(37) at -14.7809 41.1814 87.9417 in (null):H-9999 (5) and CE1(81) at -13.114 39.7902 87.631 in (null):F-9999 (9) other bump:2.24372 Ang NE2(38) at -14.0594 41.2508 89.0477 in (null):H-9999 (5) and CE1(81) at -13.114 39.7902 87.631 in (null):F-9999 (9) other bump:2.46992 Ang O(29) at -18.497 35.637 89.579 in (null):P-9999 (4) and CD2(69) at -19.5665 35.098 87.4189 in (null):H-9999 (8) Number of specific fragments= 1 total=1044 # 1qj2C.45.45 read from T0147_twice.t2k.frag # adding 1qj2C to template set 1qj2C:# found chain 1qj2C in template set T0147_twice 45 :EDAPHHWHF 1qj2C 46 :ATPEHLVDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1045 # 1qtwA.46.48 read from T0147_twice.t2k.frag # found chain 1qtwA in training set T0147_twice 46 :DAPHHWHFI 1qtwA 49 :IDEFKAACE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17518 Ang CE1(28) at 57.0971 -3.08605 21.9381 in (null):H-9999 (4) and CZ(74) at 59.137 -2.41239 21.5972 in (null):F-9999 (8) other bump:2.15387 Ang NE2(29) at 57.2146 -1.84073 22.3823 in (null):H-9999 (4) and CZ(74) at 59.137 -2.41239 21.5972 in (null):F-9999 (8) other bump:2.15309 Ang CD2(26) at 56.4096 -1.66947 23.4813 in (null):H-9999 (4) and CE1(72) at 58.3797 -2.07638 22.7141 in (null):F-9999 (8) other bump:2.70882 Ang ND1(27) at 56.2272 -3.72086 22.7283 in (null):H-9999 (4) and CE1(72) at 58.3797 -2.07638 22.7141 in (null):F-9999 (8) other bump:1.80741 Ang CE1(28) at 57.0971 -3.08605 21.9381 in (null):H-9999 (4) and CE1(72) at 58.3797 -2.07638 22.7141 in (null):F-9999 (8) other bump:1.23418 Ang NE2(29) at 57.2146 -1.84073 22.3823 in (null):H-9999 (4) and CE1(72) at 58.3797 -2.07638 22.7141 in (null):F-9999 (8) other bump:2.64399 Ang CD2(26) at 56.4096 -1.66947 23.4813 in (null):H-9999 (4) and CD1(70) at 59.0031 -1.88596 23.9477 in (null):F-9999 (8) other bump:2.37723 Ang NE2(29) at 57.2146 -1.84073 22.3823 in (null):H-9999 (4) and CD1(70) at 59.0031 -1.88596 23.9477 in (null):F-9999 (8) Number of specific fragments= 1 total=1046 # 1g6sA.46.46 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 46 :DAPHHWHFI 1g6sA 47 :SDDVRHMLN Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55567 Ang CD2(36) at 73.7737 15.3751 22.1726 in (null):H-9999 (5) and CD1(82) at 73.6156 15.2789 19.6236 in (null):I-9999 (9) other bump:2.35913 Ang NE2(39) at 74.8238 15.9781 21.5254 in (null):H-9999 (5) and CD1(82) at 73.6156 15.2789 19.6236 in (null):I-9999 (9) other bump:3.231 Ang NE2(39) at 74.8238 15.9781 21.5254 in (null):H-9999 (5) and CG1(80) at 73.1165 16.4789 18.8284 in (null):I-9999 (9) other bump:2.99966 Ang ND1(27) at 66.5766 20.4104 24.5258 in (null):H-9999 (4) and CZ(74) at 68.0804 22.6398 23.1968 in (null):F-9999 (8) other bump:1.75317 Ang CE1(28) at 67.0027 21.5872 24.0937 in (null):H-9999 (4) and CZ(74) at 68.0804 22.6398 23.1968 in (null):F-9999 (8) other bump:2.87309 Ang CD2(26) at 68.6661 20.6097 25.1437 in (null):H-9999 (4) and CZ(74) at 68.0804 22.6398 23.1968 in (null):F-9999 (8) other bump:1.56312 Ang NE2(29) at 68.2662 21.7322 24.4558 in (null):H-9999 (4) and CZ(74) at 68.0804 22.6398 23.1968 in (null):F-9999 (8) other bump:2.46227 Ang CE1(28) at 67.0027 21.5872 24.0937 in (null):H-9999 (4) and CE2(73) at 67.5507 22.5692 21.9031 in (null):F-9999 (8) other bump:2.78002 Ang NE2(29) at 68.2662 21.7322 24.4558 in (null):H-9999 (4) and CE2(73) at 67.5507 22.5692 21.9031 in (null):F-9999 (8) other bump:2.33897 Ang CE1(28) at 67.0027 21.5872 24.0937 in (null):H-9999 (4) and CE1(72) at 69.2368 21.9624 23.5115 in (null):F-9999 (8) other bump:2.19535 Ang CD2(26) at 68.6661 20.6097 25.1437 in (null):H-9999 (4) and CE1(72) at 69.2368 21.9624 23.5115 in (null):F-9999 (8) other bump:1.37357 Ang NE2(29) at 68.2662 21.7322 24.4558 in (null):H-9999 (4) and CE1(72) at 69.2368 21.9624 23.5115 in (null):F-9999 (8) other bump:2.89799 Ang CD2(26) at 68.6661 20.6097 25.1437 in (null):H-9999 (4) and CD1(70) at 69.9016 21.16 22.5807 in (null):F-9999 (8) other bump:2.55298 Ang NE2(29) at 68.2662 21.7322 24.4558 in (null):H-9999 (4) and CD1(70) at 69.9016 21.16 22.5807 in (null):F-9999 (8) Number of specific fragments= 1 total=1047 # 1qumA.46.48 read from T0147_twice.t2k.frag # found chain 1qumA in template set T0147_twice 46 :DAPHHWHFI 1qumA 49 :IDEFKAACE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1048 # 1eps.46.46 read from T0147_twice.t2k.frag # found chain 1eps in template set Number of specific fragments= 0 total=1048 # 1qj2C.46.46 read from T0147_twice.t2k.frag # found chain 1qj2C in template set T0147_twice 46 :DAPHHWHFI 1qj2C 47 :TPEHLVDLR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84454 Ang CE1(62) at 31.4126 111.323 30.0325 in (null):H-9999 (7) and CG2(81) at 30.1253 113.813 29.5447 in (null):I-9999 (9) other bump:2.61282 Ang ND1(61) at 32.1429 111.894 29.0917 in (null):H-9999 (7) and CB(79) at 29.5904 112.384 29.3595 in (null):I-9999 (9) other bump:2.21313 Ang CE1(62) at 31.4126 111.323 30.0325 in (null):H-9999 (7) and CB(79) at 29.5904 112.384 29.3595 in (null):I-9999 (9) Number of specific fragments= 1 total=1049 # 1ixmB.46.47 read from T0147_twice.t2k.frag # found chain 1ixmB in template set T0147_twice 46 :DAPHHWHFI 1ixmB 248 :YDRVFEMIE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77155 Ang CE1(28) at -14.7809 41.1814 87.9417 in (null):H-9999 (4) and CZ(74) at -12.732 40.1958 86.3569 in (null):F-9999 (8) other bump:3.0221 Ang ND1(27) at -15.9506 40.6368 88.2394 in (null):H-9999 (4) and CE1(72) at -13.114 39.7902 87.631 in (null):F-9999 (8) other bump:2.19333 Ang CE1(28) at -14.7809 41.1814 87.9417 in (null):H-9999 (4) and CE1(72) at -13.114 39.7902 87.631 in (null):F-9999 (8) other bump:2.24373 Ang NE2(29) at -14.0594 41.2508 89.0477 in (null):H-9999 (4) and CE1(72) at -13.114 39.7902 87.631 in (null):F-9999 (8) other bump:2.46992 Ang O(20) at -18.497 35.637 89.579 in (null):P-9999 (3) and CD2(60) at -19.5665 35.098 87.4189 in (null):H-9999 (7) Number of specific fragments= 1 total=1050 # 1qtwA.47.49 read from T0147_twice.t2k.frag # found chain 1qtwA in training set T0147_twice 47 :APHHWHFIN 1qtwA 50 :DEFKAACEK Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17518 Ang CE1(20) at 57.0971 -3.08605 21.9381 in (null):H-9999 (3) and CZ(66) at 59.137 -2.41239 21.5972 in (null):F-9999 (7) other bump:2.15387 Ang NE2(21) at 57.2146 -1.84073 22.3823 in (null):H-9999 (3) and CZ(66) at 59.137 -2.41239 21.5972 in (null):F-9999 (7) other bump:2.15309 Ang CD2(18) at 56.4096 -1.66947 23.4813 in (null):H-9999 (3) and CE1(64) at 58.3797 -2.07638 22.7141 in (null):F-9999 (7) other bump:2.70882 Ang ND1(19) at 56.2272 -3.72086 22.7283 in (null):H-9999 (3) and CE1(64) at 58.3797 -2.07638 22.7141 in (null):F-9999 (7) other bump:1.80741 Ang CE1(20) at 57.0971 -3.08605 21.9381 in (null):H-9999 (3) and CE1(64) at 58.3797 -2.07638 22.7141 in (null):F-9999 (7) other bump:1.23418 Ang NE2(21) at 57.2146 -1.84073 22.3823 in (null):H-9999 (3) and CE1(64) at 58.3797 -2.07638 22.7141 in (null):F-9999 (7) other bump:2.64399 Ang CD2(18) at 56.4096 -1.66947 23.4813 in (null):H-9999 (3) and CD1(62) at 59.0031 -1.88596 23.9477 in (null):F-9999 (7) other bump:2.37723 Ang NE2(21) at 57.2146 -1.84073 22.3823 in (null):H-9999 (3) and CD1(62) at 59.0031 -1.88596 23.9477 in (null):F-9999 (7) Number of specific fragments= 1 total=1051 # 1g6sA.47.47 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 47 :APHHWHFIN 1g6sA 48 :DDVRHMLNA Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55567 Ang CD2(28) at 73.7737 15.3751 22.1726 in (null):H-9999 (4) and CD1(74) at 73.6156 15.2789 19.6236 in (null):I-9999 (8) other bump:2.35913 Ang NE2(31) at 74.8238 15.9781 21.5254 in (null):H-9999 (4) and CD1(74) at 73.6156 15.2789 19.6236 in (null):I-9999 (8) other bump:3.23099 Ang NE2(31) at 74.8238 15.9781 21.5254 in (null):H-9999 (4) and CG1(72) at 73.1165 16.4789 18.8284 in (null):I-9999 (8) other bump:1.75317 Ang CE1(20) at 67.0027 21.5872 24.0937 in (null):H-9999 (3) and CZ(66) at 68.0804 22.6398 23.1968 in (null):F-9999 (7) other bump:2.99966 Ang ND1(19) at 66.5766 20.4104 24.5258 in (null):H-9999 (3) and CZ(66) at 68.0804 22.6398 23.1968 in (null):F-9999 (7) other bump:2.87309 Ang CD2(18) at 68.6661 20.6097 25.1437 in (null):H-9999 (3) and CZ(66) at 68.0804 22.6398 23.1968 in (null):F-9999 (7) other bump:1.56312 Ang NE2(21) at 68.2662 21.7322 24.4558 in (null):H-9999 (3) and CZ(66) at 68.0804 22.6398 23.1968 in (null):F-9999 (7) other bump:2.46227 Ang CE1(20) at 67.0027 21.5872 24.0937 in (null):H-9999 (3) and CE2(65) at 67.5507 22.5692 21.9031 in (null):F-9999 (7) other bump:2.78002 Ang NE2(21) at 68.2662 21.7322 24.4558 in (null):H-9999 (3) and CE2(65) at 67.5507 22.5692 21.9031 in (null):F-9999 (7) other bump:2.33897 Ang CE1(20) at 67.0027 21.5872 24.0937 in (null):H-9999 (3) and CE1(64) at 69.2368 21.9624 23.5115 in (null):F-9999 (7) other bump:2.19535 Ang CD2(18) at 68.6661 20.6097 25.1437 in (null):H-9999 (3) and CE1(64) at 69.2368 21.9624 23.5115 in (null):F-9999 (7) other bump:1.37357 Ang NE2(21) at 68.2662 21.7322 24.4558 in (null):H-9999 (3) and CE1(64) at 69.2368 21.9624 23.5115 in (null):F-9999 (7) other bump:2.89799 Ang CD2(18) at 68.6661 20.6097 25.1437 in (null):H-9999 (3) and CD1(62) at 69.9016 21.16 22.5807 in (null):F-9999 (7) other bump:2.55298 Ang NE2(21) at 68.2662 21.7322 24.4558 in (null):H-9999 (3) and CD1(62) at 69.9016 21.16 22.5807 in (null):F-9999 (7) Number of specific fragments= 1 total=1052 # 1qumA.47.49 read from T0147_twice.t2k.frag # found chain 1qumA in template set T0147_twice 47 :APHHWHFIN 1qumA 50 :DEFKAACEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1053 # 1eps.47.47 read from T0147_twice.t2k.frag # found chain 1eps in template set Number of specific fragments= 0 total=1053 # 1ixmB.47.48 read from T0147_twice.t2k.frag # found chain 1ixmB in template set T0147_twice 47 :APHHWHFIN 1ixmB 249 :DRVFEMIEE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77155 Ang CE1(20) at -14.7809 41.1814 87.9417 in (null):H-9999 (3) and CZ(66) at -12.732 40.1958 86.3569 in (null):F-9999 (7) other bump:3.0221 Ang ND1(19) at -15.9506 40.6368 88.2394 in (null):H-9999 (3) and CE1(64) at -13.114 39.7902 87.631 in (null):F-9999 (7) other bump:2.19333 Ang CE1(20) at -14.7809 41.1814 87.9417 in (null):H-9999 (3) and CE1(64) at -13.114 39.7902 87.631 in (null):F-9999 (7) other bump:2.24373 Ang NE2(21) at -14.0594 41.2508 89.0477 in (null):H-9999 (3) and CE1(64) at -13.114 39.7902 87.631 in (null):F-9999 (7) other bump:2.46992 Ang O(12) at -18.497 35.637 89.579 in (null):P-9999 (2) and CD2(52) at -19.5665 35.098 87.4189 in (null):H-9999 (6) Number of specific fragments= 1 total=1054 # 1qbqA.47.49 read from T0147_twice.t2k.frag # adding 1qbqA to template set 1qbqA:# found chain 1qbqA in template set T0147_twice 47 :APHHWHFIN 1qbqA 94 :EKFRDVYDY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80836 Ang CD2(28) at 177.203 150.743 24.8896 in (null):H-9999 (4) and CD1(74) at 176.753 150.369 22.1429 in (null):I-9999 (8) other bump:2.70505 Ang NE2(31) at 176.074 150.095 24.747 in (null):H-9999 (4) and CD1(74) at 176.753 150.369 22.1429 in (null):I-9999 (8) other bump:3.19734 Ang CE1(20) at 183.822 144.296 25.2791 in (null):H-9999 (3) and CE1(64) at 184.272 143.797 22.153 in (null):F-9999 (7) Number of specific fragments= 1 total=1055 # 1g6sA.48.48 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 48 :PHHWHFINM 1g6sA 49 :DVRHMLNAL Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97766 Ang NE2(50) at 63.7641 20.2925 19.1243 in (null):H-9999 (5) and SD(84) at 65.5039 22.0041 17.4185 in (null):M-9999 (9) other bump:2.55566 Ang CD2(23) at 73.7737 15.3751 22.1726 in (null):H-9999 (3) and CD1(69) at 73.6156 15.2789 19.6236 in (null):I-9999 (7) other bump:2.35914 Ang NE2(26) at 74.8238 15.9781 21.5254 in (null):H-9999 (3) and CD1(69) at 73.6156 15.2789 19.6236 in (null):I-9999 (7) other bump:3.23098 Ang NE2(26) at 74.8238 15.9781 21.5254 in (null):H-9999 (3) and CG1(67) at 73.1165 16.4789 18.8284 in (null):I-9999 (7) other bump:2.99966 Ang ND1(14) at 66.5766 20.4104 24.5258 in (null):H-9999 (2) and CZ(61) at 68.0804 22.6398 23.1968 in (null):F-9999 (6) other bump:1.75318 Ang CE1(15) at 67.0027 21.5872 24.0937 in (null):H-9999 (2) and CZ(61) at 68.0804 22.6398 23.1968 in (null):F-9999 (6) other bump:2.8731 Ang CD2(13) at 68.6661 20.6097 25.1437 in (null):H-9999 (2) and CZ(61) at 68.0804 22.6398 23.1968 in (null):F-9999 (6) other bump:1.56312 Ang NE2(16) at 68.2662 21.7322 24.4558 in (null):H-9999 (2) and CZ(61) at 68.0804 22.6398 23.1968 in (null):F-9999 (6) other bump:2.46228 Ang CE1(15) at 67.0027 21.5872 24.0937 in (null):H-9999 (2) and CE2(60) at 67.5507 22.5692 21.9031 in (null):F-9999 (6) other bump:2.78004 Ang NE2(16) at 68.2662 21.7322 24.4558 in (null):H-9999 (2) and CE2(60) at 67.5507 22.5692 21.9031 in (null):F-9999 (6) other bump:2.33895 Ang CE1(15) at 67.0027 21.5872 24.0937 in (null):H-9999 (2) and CE1(59) at 69.2368 21.9624 23.5115 in (null):F-9999 (6) other bump:2.19536 Ang CD2(13) at 68.6661 20.6097 25.1437 in (null):H-9999 (2) and CE1(59) at 69.2368 21.9624 23.5115 in (null):F-9999 (6) other bump:1.37355 Ang NE2(16) at 68.2662 21.7322 24.4558 in (null):H-9999 (2) and CE1(59) at 69.2368 21.9624 23.5115 in (null):F-9999 (6) other bump:2.89799 Ang CD2(13) at 68.6661 20.6097 25.1437 in (null):H-9999 (2) and CD1(57) at 69.9016 21.16 22.5807 in (null):F-9999 (6) other bump:2.55297 Ang NE2(16) at 68.2662 21.7322 24.4558 in (null):H-9999 (2) and CD1(57) at 69.9016 21.16 22.5807 in (null):F-9999 (6) Number of specific fragments= 1 total=1056 # 1qtwA.48.50 read from T0147_twice.t2k.frag # found chain 1qtwA in training set T0147_twice 48 :PHHWHFINM 1qtwA 51 :EFKAACEKY Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17518 Ang CE1(15) at 57.0971 -3.08605 21.9381 in (null):H-9999 (2) and CZ(61) at 59.137 -2.41239 21.5972 in (null):F-9999 (6) other bump:2.15387 Ang NE2(16) at 57.2146 -1.84073 22.3823 in (null):H-9999 (2) and CZ(61) at 59.137 -2.41239 21.5972 in (null):F-9999 (6) other bump:2.15309 Ang CD2(13) at 56.4096 -1.66947 23.4813 in (null):H-9999 (2) and CE1(59) at 58.3797 -2.07638 22.7141 in (null):F-9999 (6) other bump:2.70882 Ang ND1(14) at 56.2272 -3.72086 22.7283 in (null):H-9999 (2) and CE1(59) at 58.3797 -2.07638 22.7141 in (null):F-9999 (6) other bump:1.80741 Ang CE1(15) at 57.0971 -3.08605 21.9381 in (null):H-9999 (2) and CE1(59) at 58.3797 -2.07638 22.7141 in (null):F-9999 (6) other bump:1.23418 Ang NE2(16) at 57.2146 -1.84073 22.3823 in (null):H-9999 (2) and CE1(59) at 58.3797 -2.07638 22.7141 in (null):F-9999 (6) other bump:2.64399 Ang CD2(13) at 56.4096 -1.66947 23.4813 in (null):H-9999 (2) and CD1(57) at 59.0031 -1.88596 23.9477 in (null):F-9999 (6) other bump:2.37723 Ang NE2(16) at 57.2146 -1.84073 22.3823 in (null):H-9999 (2) and CD1(57) at 59.0031 -1.88596 23.9477 in (null):F-9999 (6) Number of specific fragments= 1 total=1057 # 1qumA.48.50 read from T0147_twice.t2k.frag # found chain 1qumA in template set T0147_twice 48 :PHHWHFINM 1qumA 51 :EFKAACEKY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1058 # 1qbqA.48.50 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 48 :PHHWHFINM 1qbqA 95 :KFRDVYDYF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92575 Ang CD2(58) at 181.907 143.044 20.93 in (null):F-9999 (6) and CE(85) at 181.355 141.282 18.6608 in (null):M-9999 (9) other bump:2.80836 Ang CD2(23) at 177.203 150.743 24.8896 in (null):H-9999 (3) and CD1(69) at 176.753 150.369 22.1429 in (null):I-9999 (7) other bump:2.70505 Ang NE2(26) at 176.074 150.095 24.747 in (null):H-9999 (3) and CD1(69) at 176.753 150.369 22.1429 in (null):I-9999 (7) other bump:3.19734 Ang CE1(15) at 183.822 144.296 25.2791 in (null):H-9999 (2) and CE1(59) at 184.272 143.797 22.153 in (null):F-9999 (6) Number of specific fragments= 1 total=1059 # 1eps.48.48 read from T0147_twice.t2k.frag # found chain 1eps in template set Number of specific fragments= 0 total=1059 # 1ixmB.48.49 read from T0147_twice.t2k.frag # found chain 1ixmB in template set T0147_twice 48 :PHHWHFINM 1ixmB 250 :RVFEMIEEM Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77155 Ang CE1(15) at -14.7809 41.1814 87.9417 in (null):H-9999 (2) and CZ(61) at -12.732 40.1958 86.3569 in (null):F-9999 (6) other bump:3.0221 Ang ND1(14) at -15.9506 40.6368 88.2394 in (null):H-9999 (2) and CE1(59) at -13.114 39.7902 87.631 in (null):F-9999 (6) other bump:2.19333 Ang CE1(15) at -14.7809 41.1814 87.9417 in (null):H-9999 (2) and CE1(59) at -13.114 39.7902 87.631 in (null):F-9999 (6) other bump:2.24373 Ang NE2(16) at -14.0594 41.2508 89.0477 in (null):H-9999 (2) and CE1(59) at -13.114 39.7902 87.631 in (null):F-9999 (6) other bump:2.46992 Ang O(7) at -18.497 35.637 89.579 in (null):P-9999 (1) and CD2(47) at -19.5665 35.098 87.4189 in (null):H-9999 (5) Number of specific fragments= 1 total=1060 # 1g6sA.49.49 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 49 :HHWHFINMR 1g6sA 50 :VRHMLNALT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55566 Ang CD2(16) at 73.7737 15.3751 22.1726 in (null):H-9999 (2) and CD1(62) at 73.6156 15.2789 19.6236 in (null):I-9999 (6) other bump:2.35912 Ang NE2(19) at 74.8238 15.9781 21.5254 in (null):H-9999 (2) and CD1(62) at 73.6156 15.2789 19.6236 in (null):I-9999 (6) other bump:3.23099 Ang NE2(19) at 74.8238 15.9781 21.5254 in (null):H-9999 (2) and CG1(60) at 73.1165 16.4789 18.8284 in (null):I-9999 (6) Number of specific fragments= 1 total=1061 # 1qtwA.49.51 read from T0147_twice.t2k.frag # found chain 1qtwA in training set T0147_twice 49 :HHWHFINMR 1qtwA 52 :FKAACEKYH Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17518 Ang CE1(8) at 57.0971 -3.08604 21.9381 in (null):H-9999 (1) and CZ(54) at 59.137 -2.41238 21.5972 in (null):F-9999 (5) other bump:2.15388 Ang NE2(9) at 57.2146 -1.84073 22.3823 in (null):H-9999 (1) and CZ(54) at 59.137 -2.41238 21.5972 in (null):F-9999 (5) other bump:2.15309 Ang CD2(6) at 56.4096 -1.66947 23.4813 in (null):H-9999 (1) and CE1(52) at 58.3797 -2.07638 22.7141 in (null):F-9999 (5) other bump:2.70882 Ang ND1(7) at 56.2272 -3.72086 22.7283 in (null):H-9999 (1) and CE1(52) at 58.3797 -2.07638 22.7141 in (null):F-9999 (5) other bump:1.80741 Ang CE1(8) at 57.0971 -3.08604 21.9381 in (null):H-9999 (1) and CE1(52) at 58.3797 -2.07638 22.7141 in (null):F-9999 (5) other bump:1.23418 Ang NE2(9) at 57.2146 -1.84073 22.3823 in (null):H-9999 (1) and CE1(52) at 58.3797 -2.07638 22.7141 in (null):F-9999 (5) other bump:2.64399 Ang CD2(6) at 56.4096 -1.66947 23.4813 in (null):H-9999 (1) and CD1(50) at 59.0031 -1.88596 23.9477 in (null):F-9999 (5) other bump:2.37723 Ang NE2(9) at 57.2146 -1.84073 22.3823 in (null):H-9999 (1) and CD1(50) at 59.0031 -1.88596 23.9477 in (null):F-9999 (5) Number of specific fragments= 1 total=1062 # 1qumA.49.51 read from T0147_twice.t2k.frag # found chain 1qumA in template set T0147_twice 49 :HHWHFINMR 1qumA 52 :FKAACEKYH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67225 Ang CD1(50) at 99.8039 3.3567 26.4202 in (null):F-9999 (5) and CA(93) at 97.458 3.107 25.165 in (null):G-9999 (10) other bump:2.00493 Ang CE1(52) at 99.3167 2.4268 25.4846 in (null):F-9999 (5) and CA(93) at 97.458 3.107 25.165 in (null):G-9999 (10) other bump:2.61187 Ang CZ(54) at 99.0408 1.16945 25.9151 in (null):F-9999 (5) and CA(93) at 97.458 3.107 25.165 in (null):G-9999 (10) Number of specific fragments= 1 total=1063 # 1ixmB.49.50 read from T0147_twice.t2k.frag # found chain 1ixmB in template set T0147_twice 49 :HHWHFINMR 1ixmB 251 :VFEMIEEMV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46993 Ang O(0) at -18.497 35.637 89.579 in (null):G-9999 (0) and CD2(40) at -19.5665 35.098 87.4189 in (null):H-9999 (4) Number of specific fragments= 1 total=1064 # 1eps.49.49 read from T0147_twice.t2k.frag # found chain 1eps in template set Number of specific fragments= 0 total=1064 # 1euaA.49.49 read from T0147_twice.t2k.frag # adding 1euaA to template set 1euaA:# found chain 1euaA in template set T0147_twice 49 :HHWHFINMR 1euaA 50 :TECAVDAIR Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57335 Ang CB(4) at 22.4535 0.275545 64.6811 in (null):H-9999 (1) and NE2(43) at 21.1039 0.418754 62.4948 in (null):H-9999 (4) other bump:2.17376 Ang N(2) at 20.95 -1.491 63.967 in (null):H-9999 (1) and CD2(40) at 20.3542 0.575575 63.6514 in (null):H-9999 (4) other bump:2.57715 Ang CA(3) at 21.722 -1.044 65.117 in (null):H-9999 (1) and CD2(40) at 20.3542 0.575575 63.6514 in (null):H-9999 (4) other bump:2.98704 Ang C(11) at 20.805 -0.746 66.292 in (null):H-9999 (1) and CD2(40) at 20.3542 0.575575 63.6514 in (null):H-9999 (4) other bump:2.35739 Ang CB(4) at 22.4535 0.275545 64.6811 in (null):H-9999 (1) and CD2(40) at 20.3542 0.575575 63.6514 in (null):H-9999 (4) other bump:3.1489 Ang CE1(8) at 24.0333 2.06673 67.4215 in (null):H-9999 (1) and CE3(29) at 24.4346 4.8515 68.8355 in (null):W-9999 (3) Number of specific fragments= 1 total=1065 # 1euaA.50.50 read from T0147_twice.t2k.frag # found chain 1euaA in template set T0147_twice 50 :HWHFINMRI 1euaA 51 :ECAVDAIRA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98705 Ang C(1) at 20.805 -0.746 66.292 in (null):G-9999 (0) and CD2(30) at 20.3542 0.575566 63.6514 in (null):H-9999 (3) Number of specific fragments= 1 total=1066 # 1g6sA.50.50 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 50 :HWHFINMRI 1g6sA 51 :RHMLNALTA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55566 Ang CD2(6) at 73.7737 15.3751 22.1726 in (null):H-9999 (1) and CD1(52) at 73.6156 15.2789 19.6236 in (null):I-9999 (5) other bump:2.35913 Ang NE2(9) at 74.8238 15.9781 21.5254 in (null):H-9999 (1) and CD1(52) at 73.6156 15.2789 19.6236 in (null):I-9999 (5) other bump:3.23099 Ang NE2(9) at 74.8238 15.9781 21.5254 in (null):H-9999 (1) and CG1(50) at 73.1165 16.4789 18.8284 in (null):I-9999 (5) Number of specific fragments= 1 total=1067 # 1fwrA.50.50 read from T0147_twice.t2k.frag # adding 1fwrA to template set 1fwrA:# found chain 1fwrA in template set T0147_twice 50 :HWHFINMRI 1fwrA 51 :ECAVDAIRA Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.09511 Ang CE1(42) at 39.3366 29.5505 40.3596 in (null):F-9999 (4) and NH2(79) at 41.198 29.304 41.289 in (null):R-9999 (8) other bump:2.92619 Ang CZ(44) at 39.0929 28.5733 39.3924 in (null):F-9999 (4) and NH2(79) at 41.198 29.304 41.289 in (null):R-9999 (8) other bump:2.85246 Ang CE1(42) at 39.3366 29.5505 40.3596 in (null):F-9999 (4) and CZ(77) at 41.063 29.279 42.614 in (null):R-9999 (8) other bump:3.07048 Ang C(1) at 30.372 36.555 41.671 in (null):G-9999 (0) and CD2(30) at 28.9414 33.9063 42.2759 in (null):H-9999 (3) neighbor-bump: 2.66816 Ang NE2(9) at 33.2666 39.7269 45.6964 in (null):H-9999 (1) and CZ2(21) at 33.5254 40.2792 48.2939 in (null):W-9999 (2) neighbor-bump: 2.09365 Ang CD2(6) at 33.8946 39.309 44.5495 in (null):H-9999 (1) and NE1(20) at 34.7345 39.0672 46.452 in (null):W-9999 (2) neighbor-bump: 1.77788 Ang NE2(9) at 33.2666 39.7269 45.6964 in (null):H-9999 (1) and NE1(20) at 34.7345 39.0672 46.452 in (null):W-9999 (2) neighbor-bump: 2.86597 Ang CD2(6) at 33.8946 39.309 44.5495 in (null):H-9999 (1) and CE2(18) at 33.7691 39.2175 47.4112 in (null):W-9999 (2) neighbor-bump: 2.79651 Ang CE1(8) at 32.0271 40.0847 45.4027 in (null):H-9999 (1) and CE2(18) at 33.7691 39.2175 47.4112 in (null):W-9999 (2) neighbor-bump: 1.85813 Ang NE2(9) at 33.2666 39.7269 45.6964 in (null):H-9999 (1) and CE2(18) at 33.7691 39.2175 47.4112 in (null):W-9999 (2) neighbor-bump: 2.40869 Ang NE2(9) at 33.2666 39.7269 45.6964 in (null):H-9999 (1) and CD2(17) at 32.9731 38.0473 47.3977 in (null):W-9999 (2) neighbor-bump: 2.06282 Ang CD2(6) at 33.8946 39.309 44.5495 in (null):H-9999 (1) and CD1(16) at 34.5707 37.8478 45.8389 in (null):W-9999 (2) neighbor-bump: 2.29184 Ang NE2(9) at 33.2666 39.7269 45.6964 in (null):H-9999 (1) and CD1(16) at 34.5707 37.8478 45.8389 in (null):W-9999 (2) neighbor-bump: 2.83228 Ang CD2(6) at 33.8946 39.309 44.5495 in (null):H-9999 (1) and CG(15) at 33.5065 37.185 46.3825 in (null):W-9999 (2) neighbor-bump: 2.64378 Ang NE2(9) at 33.2666 39.7269 45.6964 in (null):H-9999 (1) and CG(15) at 33.5065 37.185 46.3825 in (null):W-9999 (2) Number of specific fragments= 1 total=1068 # 1fq0A.50.50 read from T0147_twice.t2k.frag # adding 1fq0A to template set 1fq0A:# found chain 1fq0A in template set T0147_twice 50 :HWHFINMRI 1fq0A 51 :ECAVDAIRA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.04022 Ang CE2(43) at 38.8009 28.7848 36.6392 in (null):F-9999 (4) and NH2(79) at 41.442 29.381 38.022 in (null):R-9999 (8) other bump:3.07332 Ang C(1) at 30.467 37.042 38.531 in (null):G-9999 (0) and CD2(30) at 29.2634 34.4113 39.5683 in (null):H-9999 (3) neighbor-bump: 2.89399 Ang NE2(9) at 33.6572 40.6552 41.8854 in (null):H-9999 (1) and CZ2(21) at 34.1658 41.1887 44.684 in (null):W-9999 (2) neighbor-bump: 2.27321 Ang CD2(6) at 34.2115 40.0861 40.7659 in (null):H-9999 (1) and NE1(20) at 35.2273 39.9166 42.7924 in (null):W-9999 (2) neighbor-bump: 1.95793 Ang NE2(9) at 33.6572 40.6552 41.8854 in (null):H-9999 (1) and NE1(20) at 35.2273 39.9166 42.7924 in (null):W-9999 (2) neighbor-bump: 2.1519 Ang NE2(9) at 33.6572 40.6552 41.8854 in (null):H-9999 (1) and CE2(18) at 34.3604 40.0875 43.8383 in (null):W-9999 (2) neighbor-bump: 2.73165 Ang NE2(9) at 33.6572 40.6552 41.8854 in (null):H-9999 (1) and CD2(17) at 33.6158 38.8912 43.9707 in (null):W-9999 (2) neighbor-bump: 2.23412 Ang CD2(6) at 34.2115 40.0861 40.7659 in (null):H-9999 (1) and CD1(16) at 35.0514 38.6591 42.2657 in (null):W-9999 (2) neighbor-bump: 2.46431 Ang NE2(9) at 33.6572 40.6552 41.8854 in (null):H-9999 (1) and CD1(16) at 35.0514 38.6591 42.2657 in (null):W-9999 (2) Number of specific fragments= 1 total=1069 # 1eps.50.50 read from T0147_twice.t2k.frag # found chain 1eps in template set Number of specific fragments= 0 total=1069 # 1ixmB.50.51 read from T0147_twice.t2k.frag # found chain 1ixmB in template set T0147_twice 50 :HWHFINMRI 1ixmB 252 :FEMIEEMVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1070 # 1fwrA.51.51 read from T0147_twice.t2k.frag # found chain 1fwrA in template set T0147_twice 51 :WHFINMRIW 1fwrA 52 :CAVDAIRAI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.09511 Ang CE1(32) at 39.3366 29.5505 40.3596 in (null):F-9999 (3) and NH2(69) at 41.198 29.304 41.289 in (null):R-9999 (7) other bump:2.92619 Ang CZ(34) at 39.0929 28.5733 39.3924 in (null):F-9999 (3) and NH2(69) at 41.198 29.304 41.289 in (null):R-9999 (7) other bump:2.85246 Ang CE1(32) at 39.3366 29.5505 40.3596 in (null):F-9999 (3) and CZ(67) at 41.063 29.279 42.614 in (null):R-9999 (7) Number of specific fragments= 1 total=1071 # 1fq0A.51.51 read from T0147_twice.t2k.frag # found chain 1fq0A in template set T0147_twice 51 :WHFINMRIW 1fq0A 52 :CAVDAIRAI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.04023 Ang CE2(33) at 38.8009 28.7848 36.6392 in (null):F-9999 (3) and NH2(69) at 41.442 29.381 38.022 in (null):R-9999 (7) Number of specific fragments= 1 total=1072 # 1euaA.51.51 read from T0147_twice.t2k.frag # found chain 1euaA in template set T0147_twice 51 :WHFINMRIW 1euaA 52 :CAVDAIRAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1073 # 1g6sA.51.51 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 51 :WHFINMRIW 1g6sA 52 :HMLNALTAL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46147 Ang CG(48) at 66.2032 15.4976 14.2781 in (null):N-9999 (5) and NE1(88) at 66.0278 15.7151 11.8326 in (null):W-9999 (9) other bump:2.0888 Ang ND2(49) at 66.4346 14.4706 13.4601 in (null):N-9999 (5) and NE1(88) at 66.0278 15.7151 11.8326 in (null):W-9999 (9) other bump:2.50829 Ang OD1(50) at 65.2454 16.2648 14.1515 in (null):N-9999 (5) and NE1(88) at 66.0278 15.7151 11.8326 in (null):W-9999 (9) other bump:2.93746 Ang ND2(49) at 66.4346 14.4706 13.4601 in (null):N-9999 (5) and CD1(84) at 66.4052 17.016 11.9942 in (null):W-9999 (9) other bump:2.56185 Ang OD1(50) at 65.2454 16.2648 14.1515 in (null):N-9999 (5) and CD1(84) at 66.4052 17.016 11.9942 in (null):W-9999 (9) other bump:2.13322 Ang O(51) at 68.137 17.741 13.007 in (null):N-9999 (5) and CD1(84) at 66.4052 17.016 11.9942 in (null):W-9999 (9) Number of specific fragments= 1 total=1074 # 1ixmB.51.52 read from T0147_twice.t2k.frag # found chain 1ixmB in template set T0147_twice 51 :WHFINMRIW 1ixmB 253 :EMIEEMVID Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57029 Ang OD1(50) at -15.9666 29.8065 83.6216 in (null):N-9999 (5) and CH2(91) at -17.0614 29.1279 81.3973 in (null):W-9999 (9) other bump:3.23226 Ang CG(48) at -15.6998 29.2398 84.6845 in (null):N-9999 (5) and CZ2(89) at -16.6873 27.9102 81.9088 in (null):W-9999 (9) other bump:3.08375 Ang ND2(49) at -15.8658 27.9316 84.881 in (null):N-9999 (5) and CZ2(89) at -16.6873 27.9102 81.9088 in (null):W-9999 (9) other bump:2.65495 Ang OD1(50) at -15.9666 29.8065 83.6216 in (null):N-9999 (5) and CZ2(89) at -16.6873 27.9102 81.9088 in (null):W-9999 (9) Number of specific fragments= 1 total=1075 # 1eps.51.51 read from T0147_twice.t2k.frag # found chain 1eps in template set Number of specific fragments= 0 total=1075 # 1euaA.52.52 read from T0147_twice.t2k.frag # found chain 1euaA in template set T0147_twice 52 :HFINMRIWP 1euaA 53 :AVDAIRAIA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.45907 Ang O(45) at 12.949 9.73 63.489 in (null):M-9999 (5) and CD(84) at 12.935 11.172 63.2667 in (null):P-9999 (9) other bump:2.58663 Ang C(46) at 13.407 8.773 64.111 in (null):M-9999 (5) and CD(84) at 12.935 11.172 63.2667 in (null):P-9999 (9) other bump:2.99069 Ang C(57) at 13.067 10.922 66.244 in (null):R-9999 (6) and CD(84) at 12.935 11.172 63.2667 in (null):P-9999 (9) other bump:1.71464 Ang O(45) at 12.949 9.73 63.489 in (null):M-9999 (5) and CG(83) at 11.5695 10.5924 62.9474 in (null):P-9999 (9) other bump:2.83557 Ang C(46) at 13.407 8.773 64.111 in (null):M-9999 (5) and CG(83) at 11.5695 10.5924 62.9474 in (null):P-9999 (9) Number of specific fragments= 1 total=1076 # 1fwrA.52.52 read from T0147_twice.t2k.frag # found chain 1fwrA in template set T0147_twice 52 :HFINMRIWP 1fwrA 53 :AVDAIRAIA Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.53316 Ang O(45) at 35.782 25.047 45.791 in (null):M-9999 (5) and CD(84) at 36.1939 24.5367 47.1768 in (null):P-9999 (9) other bump:2.54725 Ang C(46) at 35.689 26.166 45.285 in (null):M-9999 (5) and CD(84) at 36.1939 24.5367 47.1768 in (null):P-9999 (9) neighbor-bump: 2.46135 Ang N(66) at 35.558 25.724 49.237 in (null):W-9999 (8) and CD(84) at 36.1939 24.5367 47.1768 in (null):P-9999 (9) other bump:2.93848 Ang C(65) at 36.788 25.893 49.715 in (null):I-9999 (7) and CD(84) at 36.1939 24.5367 47.1768 in (null):P-9999 (9) other bump:3.20828 Ang CA(48) at 38.069 26.548 45.524 in (null):R-9999 (6) and CD(84) at 36.1939 24.5367 47.1768 in (null):P-9999 (9) other bump:2.66677 Ang C(57) at 38.154 26.34 47.043 in (null):R-9999 (6) and CD(84) at 36.1939 24.5367 47.1768 in (null):P-9999 (9) other bump:1.45636 Ang O(45) at 35.782 25.047 45.791 in (null):M-9999 (5) and CG(83) at 36.728 23.9439 45.8863 in (null):P-9999 (9) other bump:2.52567 Ang C(46) at 35.689 26.166 45.285 in (null):M-9999 (5) and CG(83) at 36.728 23.9439 45.8863 in (null):P-9999 (9) other bump:3.11848 Ang N(47) at 36.733 26.968 45.125 in (null):R-9999 (6) and CG(83) at 36.728 23.9439 45.8863 in (null):P-9999 (9) other bump:2.95142 Ang CA(48) at 38.069 26.548 45.524 in (null):R-9999 (6) and CG(83) at 36.728 23.9439 45.8863 in (null):P-9999 (9) other bump:3.01873 Ang C(57) at 38.154 26.34 47.043 in (null):R-9999 (6) and CG(83) at 36.728 23.9439 45.8863 in (null):P-9999 (9) other bump:2.09511 Ang CE1(18) at 39.3366 29.5505 40.3596 in (null):F-9999 (2) and NH2(55) at 41.198 29.304 41.289 in (null):R-9999 (6) other bump:2.92619 Ang CZ(20) at 39.0929 28.5733 39.3924 in (null):F-9999 (2) and NH2(55) at 41.198 29.304 41.289 in (null):R-9999 (6) other bump:2.85246 Ang CE1(18) at 39.3366 29.5505 40.3596 in (null):F-9999 (2) and CZ(53) at 41.063 29.279 42.614 in (null):R-9999 (6) Number of specific fragments= 1 total=1077 # 1fq0A.52.52 read from T0147_twice.t2k.frag # found chain 1fq0A in template set T0147_twice 52 :HFINMRIWP 1fq0A 53 :AVDAIRAIA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.43219 Ang O(45) at 36.062 25.661 43.115 in (null):M-9999 (5) and CD(84) at 36.2136 24.7561 44.2147 in (null):P-9999 (9) other bump:2.60162 Ang C(46) at 35.933 26.771 42.593 in (null):M-9999 (5) and CD(84) at 36.2136 24.7561 44.2147 in (null):P-9999 (9) other bump:3.19194 Ang C(57) at 38.466 27.017 44.155 in (null):R-9999 (6) and CD(84) at 36.2136 24.7561 44.2147 in (null):P-9999 (9) other bump:1.98415 Ang O(45) at 36.062 25.661 43.115 in (null):M-9999 (5) and CG(83) at 36.3777 23.7022 43.1356 in (null):P-9999 (9) other bump:3.14793 Ang C(46) at 35.933 26.771 42.593 in (null):M-9999 (5) and CG(83) at 36.3777 23.7022 43.1356 in (null):P-9999 (9) other bump:3.04021 Ang CE2(19) at 38.8009 28.7848 36.6392 in (null):F-9999 (2) and NH2(55) at 41.442 29.381 38.022 in (null):R-9999 (6) Number of specific fragments= 1 total=1078 # 1g6sA.52.52 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 52 :HFINMRIWP 1g6sA 53 :MLNALTALG Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.33007 Ang CA(67) at 67.845 19.136 9.472 in (null):W-9999 (8) and CD(84) at 68.2553 20.9162 8.02575 in (null):P-9999 (9) neighbor-bump: 1.00545 Ang O(78) at 67.261 21.03 8.122 in (null):W-9999 (8) and CD(84) at 68.2553 20.9162 8.02575 in (null):P-9999 (9) neighbor-bump: 0.986767 Ang C(79) at 68.067 20.544 8.92 in (null):W-9999 (8) and CD(84) at 68.2553 20.9162 8.02575 in (null):P-9999 (9) self-bump: 2.17489 Ang CA(81) at 69.46 22.527 8.853 in (null):P-9999 (9) and CD(84) at 68.2553 20.9162 8.02575 in (null):P-9999 (9) neighbor-bump: 2.41765 Ang O(78) at 67.261 21.03 8.122 in (null):W-9999 (8) and CG(83) at 69.4803 21.0323 7.16287 in (null):P-9999 (9) neighbor-bump: 2.3072 Ang C(79) at 68.067 20.544 8.92 in (null):W-9999 (8) and CG(83) at 69.4803 21.0323 7.16287 in (null):P-9999 (9) other bump:2.46146 Ang CG(34) at 66.2032 15.4976 14.2781 in (null):N-9999 (4) and NE1(74) at 66.0278 15.7152 11.8326 in (null):W-9999 (8) other bump:2.0888 Ang ND2(35) at 66.4346 14.4706 13.4601 in (null):N-9999 (4) and NE1(74) at 66.0278 15.7152 11.8326 in (null):W-9999 (8) other bump:2.50828 Ang OD1(36) at 65.2454 16.2648 14.1515 in (null):N-9999 (4) and NE1(74) at 66.0278 15.7152 11.8326 in (null):W-9999 (8) other bump:2.93747 Ang ND2(35) at 66.4346 14.4706 13.4601 in (null):N-9999 (4) and CD1(70) at 66.4052 17.016 11.9942 in (null):W-9999 (8) other bump:2.56185 Ang OD1(36) at 65.2454 16.2648 14.1515 in (null):N-9999 (4) and CD1(70) at 66.4052 17.016 11.9942 in (null):W-9999 (8) other bump:2.13322 Ang O(37) at 68.137 17.741 13.007 in (null):N-9999 (4) and CD1(70) at 66.4052 17.016 11.9942 in (null):W-9999 (8) Number of specific fragments= 1 total=1079 # 1eps.52.52 read from T0147_twice.t2k.frag # found chain 1eps in template set Number of specific fragments= 0 total=1079 # 1ixmB.52.53 read from T0147_twice.t2k.frag # found chain 1ixmB in template set T0147_twice 52 :HFINMRIWP 1ixmB 254 :MIEEMVIDA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.73185 Ang O(45) at -10.215 31.094 81.977 in (null):M-9999 (5) and CD(84) at -9.5123 29.7645 81.118 in (null):P-9999 (9) other bump:2.86369 Ang C(46) at -10.715 31.543 83.013 in (null):M-9999 (5) and CD(84) at -9.5123 29.7645 81.118 in (null):P-9999 (9) self-bump: 1.39416 Ang N(80) at -8.725 28.803 80.486 in (null):P-9999 (9) and CD(84) at -9.5123 29.7645 81.118 in (null):P-9999 (9) other bump:3.11788 Ang C(57) at -8.537 29.623 84.076 in (null):R-9999 (6) and CD(84) at -9.5123 29.7645 81.118 in (null):P-9999 (9) other bump:1.91343 Ang O(45) at -10.215 31.094 81.977 in (null):M-9999 (5) and CG(83) at -8.89476 31.0471 80.5928 in (null):P-9999 (9) other bump:3.06864 Ang C(46) at -10.715 31.543 83.013 in (null):M-9999 (5) and CG(83) at -8.89476 31.0471 80.5928 in (null):P-9999 (9) other bump:2.57031 Ang OD1(36) at -15.9666 29.8065 83.6216 in (null):N-9999 (4) and CH2(77) at -17.0614 29.1278 81.3973 in (null):W-9999 (8) other bump:3.23226 Ang CG(34) at -15.6998 29.2398 84.6845 in (null):N-9999 (4) and CZ2(75) at -16.6873 27.9102 81.9088 in (null):W-9999 (8) other bump:3.08375 Ang ND2(35) at -15.8658 27.9316 84.881 in (null):N-9999 (4) and CZ2(75) at -16.6873 27.9102 81.9088 in (null):W-9999 (8) other bump:2.65497 Ang OD1(36) at -15.9666 29.8065 83.6216 in (null):N-9999 (4) and CZ2(75) at -16.6873 27.9102 81.9088 in (null):W-9999 (8) Number of specific fragments= 1 total=1080 # 1fwrA.53.53 read from T0147_twice.t2k.frag # found chain 1fwrA in template set T0147_twice 53 :FINMRIWPR 1fwrA 54 :VDAIRAIAK Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.53315 Ang O(35) at 35.782 25.047 45.791 in (null):M-9999 (4) and CD(74) at 36.1939 24.5367 47.1768 in (null):P-9999 (8) other bump:2.54724 Ang C(36) at 35.689 26.166 45.285 in (null):M-9999 (4) and CD(74) at 36.1939 24.5367 47.1768 in (null):P-9999 (8) neighbor-bump: 2.46135 Ang N(56) at 35.558 25.724 49.237 in (null):W-9999 (7) and CD(74) at 36.1939 24.5367 47.1768 in (null):P-9999 (8) other bump:2.93849 Ang C(55) at 36.788 25.893 49.715 in (null):I-9999 (6) and CD(74) at 36.1939 24.5367 47.1768 in (null):P-9999 (8) other bump:3.20828 Ang CA(38) at 38.069 26.548 45.524 in (null):R-9999 (5) and CD(74) at 36.1939 24.5367 47.1768 in (null):P-9999 (8) other bump:2.66677 Ang C(47) at 38.154 26.34 47.043 in (null):R-9999 (5) and CD(74) at 36.1939 24.5367 47.1768 in (null):P-9999 (8) other bump:1.45636 Ang O(35) at 35.782 25.047 45.791 in (null):M-9999 (4) and CG(73) at 36.7281 23.9439 45.8863 in (null):P-9999 (8) other bump:2.52568 Ang C(36) at 35.689 26.166 45.285 in (null):M-9999 (4) and CG(73) at 36.7281 23.9439 45.8863 in (null):P-9999 (8) other bump:3.11848 Ang N(37) at 36.733 26.968 45.125 in (null):R-9999 (5) and CG(73) at 36.7281 23.9439 45.8863 in (null):P-9999 (8) other bump:2.95142 Ang CA(38) at 38.069 26.548 45.524 in (null):R-9999 (5) and CG(73) at 36.7281 23.9439 45.8863 in (null):P-9999 (8) other bump:3.01872 Ang C(47) at 38.154 26.34 47.043 in (null):R-9999 (5) and CG(73) at 36.7281 23.9439 45.8863 in (null):P-9999 (8) Number of specific fragments= 1 total=1081 # 1fq0A.53.53 read from T0147_twice.t2k.frag # found chain 1fq0A in template set T0147_twice 53 :FINMRIWPR 1fq0A 54 :VDAIRAIAK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.4322 Ang O(35) at 36.062 25.661 43.115 in (null):M-9999 (4) and CD(74) at 36.2136 24.7561 44.2147 in (null):P-9999 (8) other bump:2.60162 Ang C(36) at 35.933 26.771 42.593 in (null):M-9999 (4) and CD(74) at 36.2136 24.7561 44.2147 in (null):P-9999 (8) other bump:3.19194 Ang C(47) at 38.466 27.017 44.155 in (null):R-9999 (5) and CD(74) at 36.2136 24.7561 44.2147 in (null):P-9999 (8) other bump:1.98415 Ang O(35) at 36.062 25.661 43.115 in (null):M-9999 (4) and CG(73) at 36.3777 23.7022 43.1356 in (null):P-9999 (8) other bump:3.14793 Ang C(36) at 35.933 26.771 42.593 in (null):M-9999 (4) and CG(73) at 36.3777 23.7022 43.1356 in (null):P-9999 (8) other bump:3.04022 Ang CE2(9) at 38.8009 28.7848 36.6392 in (null):F-9999 (1) and NH2(45) at 41.442 29.381 38.022 in (null):R-9999 (5) Number of specific fragments= 1 total=1082 # 1euaA.53.53 read from T0147_twice.t2k.frag # found chain 1euaA in template set T0147_twice 53 :FINMRIWPR 1euaA 54 :VDAIRAIAK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.45907 Ang O(35) at 12.949 9.73 63.489 in (null):M-9999 (4) and CD(74) at 12.935 11.172 63.2667 in (null):P-9999 (8) other bump:2.58664 Ang C(36) at 13.407 8.773 64.111 in (null):M-9999 (4) and CD(74) at 12.935 11.172 63.2667 in (null):P-9999 (8) other bump:2.99069 Ang C(47) at 13.067 10.922 66.244 in (null):R-9999 (5) and CD(74) at 12.935 11.172 63.2667 in (null):P-9999 (8) other bump:1.71464 Ang O(35) at 12.949 9.73 63.489 in (null):M-9999 (4) and CG(73) at 11.5695 10.5924 62.9474 in (null):P-9999 (8) other bump:2.83557 Ang C(36) at 13.407 8.773 64.111 in (null):M-9999 (4) and CG(73) at 11.5695 10.5924 62.9474 in (null):P-9999 (8) other bump:2.52637 Ang CE2(9) at 10.7201 3.51689 68.9678 in (null):F-9999 (1) and NH2(45) at 10.124 5.723 70.045 in (null):R-9999 (5) other bump:2.9401 Ang CZ(10) at 9.81524 3.69415 67.9396 in (null):F-9999 (1) and NH2(45) at 10.124 5.723 70.045 in (null):R-9999 (5) Number of specific fragments= 1 total=1083 # 1g6sA.53.53 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 53 :FINMRIWPR 1g6sA 54 :LNALTALGV Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86198 Ang SD(33) at 64.4031 20.3841 14.9698 in (null):M-9999 (4) and NH2(85) at 62.92 21.9065 13.0531 in (null):R-9999 (9) other bump:1.69172 Ang CE(34) at 64.2852 21.9233 14.052 in (null):M-9999 (4) and NH2(85) at 62.92 21.9065 13.0531 in (null):R-9999 (9) other bump:1.38597 Ang SD(33) at 64.4031 20.3841 14.9698 in (null):M-9999 (4) and NH1(84) at 63.8528 21.6504 15.0908 in (null):R-9999 (9) other bump:1.1578 Ang CE(34) at 64.2852 21.9233 14.052 in (null):M-9999 (4) and NH1(84) at 63.8528 21.6504 15.0908 in (null):R-9999 (9) other bump:2.34544 Ang CG(32) at 65.7914 20.7383 16.0452 in (null):M-9999 (4) and NH1(84) at 63.8528 21.6504 15.0908 in (null):R-9999 (9) other bump:2.29913 Ang SD(33) at 64.4031 20.3841 14.9698 in (null):M-9999 (4) and CZ(83) at 63.7447 22.3629 14.0017 in (null):R-9999 (9) other bump:0.698447 Ang CE(34) at 64.2852 21.9233 14.052 in (null):M-9999 (4) and CZ(83) at 63.7447 22.3629 14.0017 in (null):R-9999 (9) other bump:1.62612 Ang CE(34) at 64.2852 21.9233 14.052 in (null):M-9999 (4) and NE(82) at 64.3708 23.5287 13.8072 in (null):R-9999 (9) other bump:2.68481 Ang CE(34) at 64.2852 21.9233 14.052 in (null):M-9999 (4) and CD(81) at 65.3044 24.362 14.5235 in (null):R-9999 (9) neighbor-bump: 2.33007 Ang CA(57) at 67.845 19.136 9.472 in (null):W-9999 (7) and CD(74) at 68.2553 20.9162 8.02574 in (null):P-9999 (8) neighbor-bump: 1.00545 Ang O(68) at 67.261 21.03 8.122 in (null):W-9999 (7) and CD(74) at 68.2553 20.9162 8.02574 in (null):P-9999 (8) neighbor-bump: 0.986768 Ang C(69) at 68.067 20.544 8.92 in (null):W-9999 (7) and CD(74) at 68.2553 20.9162 8.02574 in (null):P-9999 (8) self-bump: 2.17489 Ang CA(71) at 69.46 22.527 8.853 in (null):P-9999 (8) and CD(74) at 68.2553 20.9162 8.02574 in (null):P-9999 (8) neighbor-bump: 2.41765 Ang O(68) at 67.261 21.03 8.122 in (null):W-9999 (7) and CG(73) at 69.4803 21.0323 7.16287 in (null):P-9999 (8) neighbor-bump: 2.3072 Ang C(69) at 68.067 20.544 8.92 in (null):W-9999 (7) and CG(73) at 69.4803 21.0323 7.16287 in (null):P-9999 (8) other bump:2.46146 Ang CG(24) at 66.2032 15.4976 14.2781 in (null):N-9999 (3) and NE1(64) at 66.0278 15.7152 11.8326 in (null):W-9999 (7) other bump:2.0888 Ang ND2(25) at 66.4346 14.4706 13.4601 in (null):N-9999 (3) and NE1(64) at 66.0278 15.7152 11.8326 in (null):W-9999 (7) other bump:2.50828 Ang OD1(26) at 65.2454 16.2648 14.1515 in (null):N-9999 (3) and NE1(64) at 66.0278 15.7152 11.8326 in (null):W-9999 (7) other bump:2.93747 Ang ND2(25) at 66.4346 14.4706 13.4601 in (null):N-9999 (3) and CD1(60) at 66.4052 17.016 11.9942 in (null):W-9999 (7) other bump:2.56185 Ang OD1(26) at 65.2454 16.2648 14.1515 in (null):N-9999 (3) and CD1(60) at 66.4052 17.016 11.9942 in (null):W-9999 (7) other bump:2.13322 Ang O(27) at 68.137 17.741 13.007 in (null):N-9999 (3) and CD1(60) at 66.4052 17.016 11.9942 in (null):W-9999 (7) Number of specific fragments= 1 total=1084 # 1eps.53.53 read from T0147_twice.t2k.frag # found chain 1eps in template set Number of specific fragments= 0 total=1084 # 1ixmB.53.54 read from T0147_twice.t2k.frag # found chain 1ixmB in template set T0147_twice 53 :FINMRIWPR 1ixmB 255 :IEEMVIDAK Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.73185 Ang O(35) at -10.215 31.094 81.977 in (null):M-9999 (4) and CD(74) at -9.5123 29.7645 81.118 in (null):P-9999 (8) other bump:2.86369 Ang C(36) at -10.715 31.543 83.013 in (null):M-9999 (4) and CD(74) at -9.5123 29.7645 81.118 in (null):P-9999 (8) self-bump: 1.39416 Ang N(70) at -8.725 28.803 80.486 in (null):P-9999 (8) and CD(74) at -9.5123 29.7645 81.118 in (null):P-9999 (8) other bump:3.11789 Ang C(47) at -8.537 29.623 84.076 in (null):R-9999 (5) and CD(74) at -9.5123 29.7645 81.118 in (null):P-9999 (8) other bump:1.91344 Ang O(35) at -10.215 31.094 81.977 in (null):M-9999 (4) and CG(73) at -8.89476 31.0471 80.5928 in (null):P-9999 (8) other bump:3.06865 Ang C(36) at -10.715 31.543 83.013 in (null):M-9999 (4) and CG(73) at -8.89476 31.0471 80.5928 in (null):P-9999 (8) other bump:2.5703 Ang OD1(26) at -15.9666 29.8065 83.6216 in (null):N-9999 (3) and CH2(67) at -17.0614 29.1278 81.3973 in (null):W-9999 (7) other bump:3.08375 Ang ND2(25) at -15.8658 27.9316 84.881 in (null):N-9999 (3) and CZ2(65) at -16.6873 27.9102 81.9088 in (null):W-9999 (7) other bump:3.23226 Ang CG(24) at -15.6998 29.2398 84.6845 in (null):N-9999 (3) and CZ2(65) at -16.6873 27.9102 81.9088 in (null):W-9999 (7) other bump:2.65496 Ang OD1(26) at -15.9666 29.8065 83.6216 in (null):N-9999 (3) and CZ2(65) at -16.6873 27.9102 81.9088 in (null):W-9999 (7) Number of specific fragments= 1 total=1085 # 1fwrA.54.54 read from T0147_twice.t2k.frag # found chain 1fwrA in template set T0147_twice 54 :INMRIWPRV 1fwrA 55 :DAIRAIAKE Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.53315 Ang O(24) at 35.782 25.047 45.791 in (null):M-9999 (3) and CD(63) at 36.1939 24.5367 47.1768 in (null):P-9999 (7) other bump:2.54724 Ang C(25) at 35.689 26.166 45.285 in (null):M-9999 (3) and CD(63) at 36.1939 24.5367 47.1768 in (null):P-9999 (7) other bump:2.93849 Ang C(44) at 36.788 25.893 49.715 in (null):I-9999 (5) and CD(63) at 36.1939 24.5367 47.1768 in (null):P-9999 (7) neighbor-bump: 2.46135 Ang N(45) at 35.558 25.724 49.237 in (null):W-9999 (6) and CD(63) at 36.1939 24.5367 47.1768 in (null):P-9999 (7) other bump:3.20828 Ang CA(27) at 38.069 26.548 45.524 in (null):R-9999 (4) and CD(63) at 36.1939 24.5367 47.1768 in (null):P-9999 (7) other bump:2.66677 Ang C(36) at 38.154 26.34 47.043 in (null):R-9999 (4) and CD(63) at 36.1939 24.5367 47.1768 in (null):P-9999 (7) other bump:1.45636 Ang O(24) at 35.782 25.047 45.791 in (null):M-9999 (3) and CG(62) at 36.7281 23.9439 45.8863 in (null):P-9999 (7) other bump:2.52568 Ang C(25) at 35.689 26.166 45.285 in (null):M-9999 (3) and CG(62) at 36.7281 23.9439 45.8863 in (null):P-9999 (7) other bump:3.11848 Ang N(26) at 36.733 26.968 45.125 in (null):R-9999 (4) and CG(62) at 36.7281 23.9439 45.8863 in (null):P-9999 (7) other bump:2.95142 Ang CA(27) at 38.069 26.548 45.524 in (null):R-9999 (4) and CG(62) at 36.7281 23.9439 45.8863 in (null):P-9999 (7) other bump:3.01872 Ang C(36) at 38.154 26.34 47.043 in (null):R-9999 (4) and CG(62) at 36.7281 23.9439 45.8863 in (null):P-9999 (7) Number of specific fragments= 1 total=1086 # 1fq0A.54.54 read from T0147_twice.t2k.frag # found chain 1fq0A in template set T0147_twice 54 :INMRIWPRV 1fq0A 55 :DAIRAIAKE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.4322 Ang O(24) at 36.062 25.661 43.115 in (null):M-9999 (3) and CD(63) at 36.2136 24.7561 44.2147 in (null):P-9999 (7) other bump:2.60162 Ang C(25) at 35.933 26.771 42.593 in (null):M-9999 (3) and CD(63) at 36.2136 24.7561 44.2147 in (null):P-9999 (7) other bump:3.19194 Ang C(36) at 38.466 27.017 44.155 in (null):R-9999 (4) and CD(63) at 36.2136 24.7561 44.2147 in (null):P-9999 (7) other bump:1.98415 Ang O(24) at 36.062 25.661 43.115 in (null):M-9999 (3) and CG(62) at 36.3777 23.7022 43.1356 in (null):P-9999 (7) other bump:3.14793 Ang C(25) at 35.933 26.771 42.593 in (null):M-9999 (3) and CG(62) at 36.3777 23.7022 43.1356 in (null):P-9999 (7) Number of specific fragments= 1 total=1087 # 1euaA.54.54 read from T0147_twice.t2k.frag # found chain 1euaA in template set T0147_twice 54 :INMRIWPRV 1euaA 55 :DAIRAIAKE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.45907 Ang O(24) at 12.949 9.73 63.489 in (null):M-9999 (3) and CD(63) at 12.935 11.172 63.2667 in (null):P-9999 (7) other bump:2.58664 Ang C(25) at 13.407 8.773 64.111 in (null):M-9999 (3) and CD(63) at 12.935 11.172 63.2667 in (null):P-9999 (7) other bump:2.99069 Ang C(36) at 13.067 10.922 66.244 in (null):R-9999 (4) and CD(63) at 12.935 11.172 63.2667 in (null):P-9999 (7) other bump:1.71464 Ang O(24) at 12.949 9.73 63.489 in (null):M-9999 (3) and CG(62) at 11.5695 10.5924 62.9474 in (null):P-9999 (7) other bump:2.83557 Ang C(25) at 13.407 8.773 64.111 in (null):M-9999 (3) and CG(62) at 11.5695 10.5924 62.9474 in (null):P-9999 (7) Number of specific fragments= 1 total=1088 # 4bp2.54.55 read from T0147_twice.t2k.frag # adding 4bp2 to template set 4bp2:# found chain 4bp2 in template set T0147_twice 54 :INMRIWPRV 4bp2 49 :DNCYKQAKK Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.68481 Ang O(24) at 27.867 14.291 70.756 in (null):M-9999 (3) and CD(63) at 28.9403 15.3579 71.4965 in (null):P-9999 (7) other bump:2.79387 Ang C(25) at 27.717 13.461 69.85 in (null):M-9999 (3) and CD(63) at 28.9403 15.3579 71.4965 in (null):P-9999 (7) other bump:3.19479 Ang CA(27) at 30.049 12.744 70.032 in (null):R-9999 (4) and CD(63) at 28.9403 15.3579 71.4965 in (null):P-9999 (7) other bump:2.79952 Ang C(36) at 30.695 14.102 69.713 in (null):R-9999 (4) and CD(63) at 28.9403 15.3579 71.4965 in (null):P-9999 (7) neighbor-bump: 2.58713 Ang N(45) at 29.212 16.977 69.497 in (null):W-9999 (6) and CD(63) at 28.9403 15.3579 71.4965 in (null):P-9999 (7) other bump:2.13062 Ang O(24) at 27.867 14.291 70.756 in (null):M-9999 (3) and CG(62) at 28.9699 14.295 72.5789 in (null):P-9999 (7) other bump:3.11648 Ang C(25) at 27.717 13.461 69.85 in (null):M-9999 (3) and CG(62) at 28.9699 14.295 72.5789 in (null):P-9999 (7) other bump:3.17126 Ang CA(27) at 30.049 12.744 70.032 in (null):R-9999 (4) and CG(62) at 28.9699 14.295 72.5789 in (null):P-9999 (7) Number of specific fragments= 1 total=1089 # 1ixmB.54.55 read from T0147_twice.t2k.frag # found chain 1ixmB in template set T0147_twice 54 :INMRIWPRV 1ixmB 256 :EEMVIDAKH Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.73185 Ang O(24) at -10.215 31.094 81.977 in (null):M-9999 (3) and CD(63) at -9.5123 29.7645 81.118 in (null):P-9999 (7) self-bump: 1.39416 Ang N(59) at -8.725 28.803 80.486 in (null):P-9999 (7) and CD(63) at -9.5123 29.7645 81.118 in (null):P-9999 (7) other bump:2.86369 Ang C(25) at -10.715 31.543 83.013 in (null):M-9999 (3) and CD(63) at -9.5123 29.7645 81.118 in (null):P-9999 (7) other bump:3.11789 Ang C(36) at -8.537 29.623 84.076 in (null):R-9999 (4) and CD(63) at -9.5123 29.7645 81.118 in (null):P-9999 (7) other bump:1.91344 Ang O(24) at -10.215 31.094 81.977 in (null):M-9999 (3) and CG(62) at -8.89476 31.0471 80.5928 in (null):P-9999 (7) other bump:3.06865 Ang C(25) at -10.715 31.543 83.013 in (null):M-9999 (3) and CG(62) at -8.89476 31.0471 80.5928 in (null):P-9999 (7) other bump:2.57031 Ang OD1(15) at -15.9666 29.8065 83.6216 in (null):N-9999 (2) and CH2(56) at -17.0614 29.1278 81.3973 in (null):W-9999 (6) other bump:2.65497 Ang OD1(15) at -15.9666 29.8065 83.6216 in (null):N-9999 (2) and CZ2(54) at -16.6873 27.9102 81.9088 in (null):W-9999 (6) other bump:3.23226 Ang CG(13) at -15.6998 29.2398 84.6845 in (null):N-9999 (2) and CZ2(54) at -16.6873 27.9102 81.9088 in (null):W-9999 (6) other bump:3.08375 Ang ND2(14) at -15.8658 27.9316 84.881 in (null):N-9999 (2) and CZ2(54) at -16.6873 27.9102 81.9088 in (null):W-9999 (6) Number of specific fragments= 1 total=1090 # 1g6sA.54.54 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 54 :INMRIWPRV 1g6sA 55 :NALTALGVS Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48851 Ang CG(21) at 65.7914 20.7383 16.0452 in (null):M-9999 (3) and NH2(74) at 66.1115 22.781 17.43 in (null):R-9999 (8) other bump:3.10947 Ang CG(21) at 65.7914 20.7383 16.0452 in (null):M-9999 (3) and CZ(72) at 65.9123 23.7969 16.5923 in (null):R-9999 (8) other bump:2.42345 Ang CE(23) at 64.2852 21.9233 14.052 in (null):M-9999 (3) and NE(71) at 65.5102 23.5738 15.336 in (null):R-9999 (8) other bump:2.93637 Ang CG(21) at 65.7914 20.7383 16.0452 in (null):M-9999 (3) and NE(71) at 65.5102 23.5738 15.336 in (null):R-9999 (8) other bump:2.87799 Ang CE(23) at 64.2852 21.9233 14.052 in (null):M-9999 (3) and CD(70) at 65.1999 24.6324 14.3793 in (null):R-9999 (8) neighbor-bump: 2.33007 Ang CA(46) at 67.845 19.136 9.472 in (null):W-9999 (6) and CD(63) at 68.2553 20.9162 8.02575 in (null):P-9999 (7) neighbor-bump: 1.00545 Ang O(57) at 67.261 21.03 8.122 in (null):W-9999 (6) and CD(63) at 68.2553 20.9162 8.02575 in (null):P-9999 (7) neighbor-bump: 0.986767 Ang C(58) at 68.067 20.544 8.92 in (null):W-9999 (6) and CD(63) at 68.2553 20.9162 8.02575 in (null):P-9999 (7) self-bump: 2.17489 Ang CA(60) at 69.46 22.527 8.853 in (null):P-9999 (7) and CD(63) at 68.2553 20.9162 8.02575 in (null):P-9999 (7) neighbor-bump: 2.41765 Ang O(57) at 67.261 21.03 8.122 in (null):W-9999 (6) and CG(62) at 69.4803 21.0323 7.16287 in (null):P-9999 (7) neighbor-bump: 2.3072 Ang C(58) at 68.067 20.544 8.92 in (null):W-9999 (6) and CG(62) at 69.4803 21.0323 7.16287 in (null):P-9999 (7) other bump:2.46148 Ang CG(13) at 66.2032 15.4976 14.2782 in (null):N-9999 (2) and NE1(53) at 66.0278 15.7152 11.8326 in (null):W-9999 (6) other bump:2.08881 Ang ND2(14) at 66.4346 14.4706 13.4601 in (null):N-9999 (2) and NE1(53) at 66.0278 15.7152 11.8326 in (null):W-9999 (6) other bump:2.5083 Ang OD1(15) at 65.2454 16.2648 14.1515 in (null):N-9999 (2) and NE1(53) at 66.0278 15.7152 11.8326 in (null):W-9999 (6) other bump:2.93747 Ang ND2(14) at 66.4346 14.4706 13.4601 in (null):N-9999 (2) and CD1(49) at 66.4052 17.016 11.9942 in (null):W-9999 (6) other bump:2.56186 Ang OD1(15) at 65.2454 16.2648 14.1515 in (null):N-9999 (2) and CD1(49) at 66.4052 17.016 11.9942 in (null):W-9999 (6) other bump:2.13322 Ang O(16) at 68.137 17.741 13.007 in (null):N-9999 (2) and CD1(49) at 66.4052 17.016 11.9942 in (null):W-9999 (6) Number of specific fragments= 1 total=1091 # 1fwrA.55.55 read from T0147_twice.t2k.frag # found chain 1fwrA in template set T0147_twice 55 :NMRIWPRVV 1fwrA 56 :AIRAIAKEV Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56767 Ang CE3(44) at 31.9676 23.7928 51.8026 in (null):W-9999 (5) and CG2(80) at 33.454 22.524 53.468 in (null):V-9999 (9) other bump:2.60178 Ang CZ3(47) at 31.2159 23.7515 52.9647 in (null):W-9999 (5) and CG2(80) at 33.454 22.524 53.468 in (null):V-9999 (9) other bump:3.17741 Ang CE3(44) at 31.9676 23.7928 51.8026 in (null):W-9999 (5) and CB(78) at 33.428 21.158 52.813 in (null):V-9999 (9) other bump:1.53315 Ang O(16) at 35.782 25.047 45.791 in (null):M-9999 (2) and CD(55) at 36.1939 24.5367 47.1768 in (null):P-9999 (6) other bump:2.54724 Ang C(17) at 35.689 26.166 45.285 in (null):M-9999 (2) and CD(55) at 36.1939 24.5367 47.1768 in (null):P-9999 (6) other bump:2.93849 Ang C(36) at 36.788 25.893 49.715 in (null):I-9999 (4) and CD(55) at 36.1939 24.5367 47.1768 in (null):P-9999 (6) neighbor-bump: 2.46135 Ang N(37) at 35.558 25.724 49.237 in (null):W-9999 (5) and CD(55) at 36.1939 24.5367 47.1768 in (null):P-9999 (6) other bump:3.20828 Ang CA(19) at 38.069 26.548 45.524 in (null):R-9999 (3) and CD(55) at 36.1939 24.5367 47.1768 in (null):P-9999 (6) other bump:2.66677 Ang C(28) at 38.154 26.34 47.043 in (null):R-9999 (3) and CD(55) at 36.1939 24.5367 47.1768 in (null):P-9999 (6) other bump:1.45636 Ang O(16) at 35.782 25.047 45.791 in (null):M-9999 (2) and CG(54) at 36.7281 23.9439 45.8863 in (null):P-9999 (6) other bump:2.52568 Ang C(17) at 35.689 26.166 45.285 in (null):M-9999 (2) and CG(54) at 36.7281 23.9439 45.8863 in (null):P-9999 (6) other bump:3.11848 Ang N(18) at 36.733 26.968 45.125 in (null):R-9999 (3) and CG(54) at 36.7281 23.9439 45.8863 in (null):P-9999 (6) other bump:2.95142 Ang CA(19) at 38.069 26.548 45.524 in (null):R-9999 (3) and CG(54) at 36.7281 23.9439 45.8863 in (null):P-9999 (6) other bump:3.01872 Ang C(28) at 38.154 26.34 47.043 in (null):R-9999 (3) and CG(54) at 36.7281 23.9439 45.8863 in (null):P-9999 (6) Number of specific fragments= 1 total=1092 # 1fq0A.55.55 read from T0147_twice.t2k.frag # found chain 1fq0A in template set T0147_twice 55 :NMRIWPRVV 1fq0A 56 :AIRAIAKEV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62633 Ang CE3(44) at 32.6547 25.201 49.5007 in (null):W-9999 (5) and CG2(80) at 34.227 23.993 51.223 in (null):V-9999 (9) other bump:2.6552 Ang CZ3(47) at 31.9976 25.3414 50.7114 in (null):W-9999 (5) and CG2(80) at 34.227 23.993 51.223 in (null):V-9999 (9) other bump:1.4322 Ang O(16) at 36.062 25.661 43.115 in (null):M-9999 (2) and CD(55) at 36.2136 24.7561 44.2147 in (null):P-9999 (6) other bump:2.60162 Ang C(17) at 35.933 26.771 42.593 in (null):M-9999 (2) and CD(55) at 36.2136 24.7561 44.2147 in (null):P-9999 (6) other bump:3.19194 Ang C(28) at 38.466 27.017 44.155 in (null):R-9999 (3) and CD(55) at 36.2136 24.7561 44.2147 in (null):P-9999 (6) other bump:1.98415 Ang O(16) at 36.062 25.661 43.115 in (null):M-9999 (2) and CG(54) at 36.3777 23.7022 43.1356 in (null):P-9999 (6) other bump:3.14793 Ang C(17) at 35.933 26.771 42.593 in (null):M-9999 (2) and CG(54) at 36.3777 23.7022 43.1356 in (null):P-9999 (6) Number of specific fragments= 1 total=1093 # 1euaA.55.55 read from T0147_twice.t2k.frag # found chain 1euaA in template set T0147_twice 55 :NMRIWPRVV 1euaA 56 :AIRAIAKEV Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28057 Ang CE3(44) at 17.5086 14.3953 60.3657 in (null):W-9999 (5) and CG2(80) at 16.936 16.51 60.999 in (null):V-9999 (9) other bump:2.36777 Ang CZ3(47) at 18.5415 15.1783 59.8786 in (null):W-9999 (5) and CG2(80) at 16.936 16.51 60.999 in (null):V-9999 (9) other bump:3.38921 Ang CE3(44) at 17.5086 14.3953 60.3657 in (null):W-9999 (5) and CG1(79) at 16.164 17.001 58.666 in (null):V-9999 (9) other bump:3.23193 Ang CZ3(47) at 18.5415 15.1783 59.8786 in (null):W-9999 (5) and CG1(79) at 16.164 17.001 58.666 in (null):V-9999 (9) other bump:2.81148 Ang CE3(44) at 17.5086 14.3953 60.3657 in (null):W-9999 (5) and CB(78) at 15.733 16.553 60.056 in (null):V-9999 (9) other bump:3.13195 Ang CZ3(47) at 18.5415 15.1783 59.8786 in (null):W-9999 (5) and CB(78) at 15.733 16.553 60.056 in (null):V-9999 (9) other bump:1.45907 Ang O(16) at 12.949 9.73 63.489 in (null):M-9999 (2) and CD(55) at 12.935 11.172 63.2667 in (null):P-9999 (6) other bump:2.58664 Ang C(17) at 13.407 8.773 64.111 in (null):M-9999 (2) and CD(55) at 12.935 11.172 63.2667 in (null):P-9999 (6) other bump:2.99069 Ang C(28) at 13.067 10.922 66.244 in (null):R-9999 (3) and CD(55) at 12.935 11.172 63.2667 in (null):P-9999 (6) other bump:1.71464 Ang O(16) at 12.949 9.73 63.489 in (null):M-9999 (2) and CG(54) at 11.5695 10.5924 62.9474 in (null):P-9999 (6) other bump:2.83557 Ang C(17) at 13.407 8.773 64.111 in (null):M-9999 (2) and CG(54) at 11.5695 10.5924 62.9474 in (null):P-9999 (6) Number of specific fragments= 1 total=1094 # 4bp2.55.56 read from T0147_twice.t2k.frag # found chain 4bp2 in template set T0147_twice 55 :NMRIWPRVV 4bp2 50 :NCYKQAKKL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.68481 Ang O(16) at 27.867 14.291 70.756 in (null):M-9999 (2) and CD(55) at 28.9403 15.3579 71.4965 in (null):P-9999 (6) other bump:2.79387 Ang C(17) at 27.717 13.461 69.85 in (null):M-9999 (2) and CD(55) at 28.9403 15.3579 71.4965 in (null):P-9999 (6) other bump:3.19479 Ang CA(19) at 30.049 12.744 70.032 in (null):R-9999 (3) and CD(55) at 28.9403 15.3579 71.4965 in (null):P-9999 (6) other bump:2.79952 Ang C(28) at 30.695 14.102 69.713 in (null):R-9999 (3) and CD(55) at 28.9403 15.3579 71.4965 in (null):P-9999 (6) neighbor-bump: 2.58713 Ang N(37) at 29.212 16.977 69.497 in (null):W-9999 (5) and CD(55) at 28.9403 15.3579 71.4965 in (null):P-9999 (6) other bump:2.13062 Ang O(16) at 27.867 14.291 70.756 in (null):M-9999 (2) and CG(54) at 28.9699 14.295 72.5789 in (null):P-9999 (6) other bump:3.11648 Ang C(17) at 27.717 13.461 69.85 in (null):M-9999 (2) and CG(54) at 28.9699 14.295 72.5789 in (null):P-9999 (6) other bump:3.17126 Ang CA(19) at 30.049 12.744 70.032 in (null):R-9999 (3) and CG(54) at 28.9699 14.295 72.5789 in (null):P-9999 (6) Number of specific fragments= 1 total=1095 # 1cex.55.56 read from T0147_twice.t2k.frag # adding 1cex to template set 1cex:Skipped atom 577, because occupancy 0.27 <= existing 0.510001 Skipped atom 578, because occupancy 0.22 <= existing 0.510001 Skipped atom 640, because occupancy 0.31 <= existing 0.690001 Skipped atom 908, because occupancy 0.32 <= existing 0.680001 Skipped atom 910, because occupancy 0.32 <= existing 0.680001 Skipped atom 912, because occupancy 0.32 <= existing 0.680001 Skipped atom 968, because occupancy 0.37 <= existing 0.630001 Skipped atom 970, because occupancy 0.37 <= existing 0.630001 Skipped atom 972, because occupancy 0.37 <= existing 0.630001 Skipped atom 974, because occupancy 0.37 <= existing 0.630001 Skipped atom 1278, because occupancy 0.41 <= existing 0.590001 Skipped atom 1280, because occupancy 0.41 <= existing 0.590001 Skipped atom 1282, because occupancy 0.41 <= existing 0.590001 Skipped atom 1284, because occupancy 0.41 <= existing 0.590001 Skipped atom 1326, because occupancy 0.46 <= existing 0.540001 Skipped atom 1328, because occupancy 0.46 <= existing 0.540001 Skipped atom 1330, because occupancy 0.46 <= existing 0.540001 Skipped atom 1514, because occupancy 0.28 <= existing 0.730001 Skipped atom 1620, because occupancy 0.31 <= existing 0.690001 Skipped atom 1958, because occupancy 0.33 <= existing 0.670001 Skipped atom 2423, because occupancy 0.28 <= existing 0.720001 # found chain 1cex in template set T0147_twice 55 :NMRIWPRVV 1cex 57 :SNLESAFGK Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.97128 Ang O(67) at -13.728 70.021 32.708 in (null):R-9999 (7) and CG2(73) at -13.5418 70.6353 34.5718 in (null):V-9999 (8) neighbor-bump: 2.79461 Ang C(68) at -12.88 70.411 31.866 in (null):R-9999 (7) and CG2(73) at -13.5418 70.6353 34.5718 in (null):V-9999 (8) other bump:1.78982 Ang O(16) at -8.025 71.123 26.312 in (null):M-9999 (2) and CD(55) at -9.41563 71.773 27.2324 in (null):P-9999 (6) other bump:2.90894 Ang C(17) at -6.941 70.558 26.304 in (null):M-9999 (2) and CD(55) at -9.41563 71.773 27.2324 in (null):P-9999 (6) other bump:3.06342 Ang C(28) at -8.418 69.254 28.662 in (null):R-9999 (3) and CD(55) at -9.41563 71.773 27.2324 in (null):P-9999 (6) other bump:2.18401 Ang O(16) at -8.025 71.123 26.312 in (null):M-9999 (2) and CG(54) at -10.1636 71.3996 25.9661 in (null):P-9999 (6) other bump:3.3742 Ang SD(14) at -4.39675 73.6033 24.0485 in (null):M-9999 (2) and CH2(48) at -3.03437 75.7453 26.2713 in (null):W-9999 (5) other bump:2.35099 Ang SD(14) at -4.39675 73.6033 24.0485 in (null):M-9999 (2) and CZ3(47) at -4.16427 75.4509 25.4835 in (null):W-9999 (5) other bump:3.22988 Ang CE(15) at -5.94417 73.986 23.2212 in (null):M-9999 (2) and CZ3(47) at -4.16427 75.4509 25.4835 in (null):W-9999 (5) other bump:2.70032 Ang SD(14) at -4.39675 73.6033 24.0485 in (null):M-9999 (2) and CE3(44) at -5.37741 75.096 26.0737 in (null):W-9999 (5) other bump:3.11294 Ang CE(15) at -5.94417 73.986 23.2212 in (null):M-9999 (2) and CE3(44) at -5.37741 75.096 26.0737 in (null):W-9999 (5) Number of specific fragments= 1 total=1096 # 1b7fA.55.56 read from T0147_twice.t2k.frag # adding 1b7fA to template set 1b7fA:# found chain 1b7fA in template set T0147_twice 55 :NMRIWPRVV 1b7fA 178 :DSQRAIKVL Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90245 Ang CD1(41) at 13.6692 56.2456 77.8444 in (null):W-9999 (5) and CG2(80) at 14.7454 54.6478 80.0153 in (null):V-9999 (9) other bump:2.47066 Ang NE1(45) at 15.0063 56.277 78.1764 in (null):W-9999 (5) and CG2(80) at 14.7454 54.6478 80.0153 in (null):V-9999 (9) other bump:2.67218 Ang CD2(42) at 13.8417 57.159 79.884 in (null):W-9999 (5) and CG2(80) at 14.7454 54.6478 80.0153 in (null):V-9999 (9) other bump:2.2977 Ang CE2(43) at 15.1408 56.8318 79.4211 in (null):W-9999 (5) and CG2(80) at 14.7454 54.6478 80.0153 in (null):V-9999 (9) other bump:2.88172 Ang CZ2(46) at 16.2908 57.0745 80.1797 in (null):W-9999 (5) and CG2(80) at 14.7454 54.6478 80.0153 in (null):V-9999 (9) other bump:3.0333 Ang CD1(41) at 13.6692 56.2456 77.8444 in (null):W-9999 (5) and CG1(79) at 14.9828 53.5118 77.8038 in (null):V-9999 (9) other bump:2.79035 Ang NE1(45) at 15.0063 56.277 78.1764 in (null):W-9999 (5) and CG1(79) at 14.9828 53.5118 77.8038 in (null):V-9999 (9) other bump:3.03091 Ang NE1(45) at 15.0063 56.277 78.1764 in (null):W-9999 (5) and CB(78) at 15.3885 53.4803 79.2802 in (null):V-9999 (9) other bump:2.46284 Ang NH2(26) at 2.06891 53.806 80.4273 in (null):R-9999 (3) and NH1(65) at 2.98898 52.8903 82.5203 in (null):R-9999 (7) other bump:2.51366 Ang NE(23) at 2.57214 55.327 82.0652 in (null):R-9999 (3) and NH1(65) at 2.98898 52.8903 82.5203 in (null):R-9999 (7) other bump:1.56455 Ang CZ(24) at 2.65101 54.0898 81.5744 in (null):R-9999 (3) and NH1(65) at 2.98898 52.8903 82.5203 in (null):R-9999 (7) other bump:0.469204 Ang NH1(25) at 3.27217 53.1092 82.2169 in (null):R-9999 (3) and NH1(65) at 2.98898 52.8903 82.5203 in (null):R-9999 (7) other bump:2.80866 Ang CZ(24) at 2.65101 54.0898 81.5744 in (null):R-9999 (3) and CZ(64) at 3.45486 52.3703 83.6446 in (null):R-9999 (7) other bump:1.61788 Ang NH1(25) at 3.27217 53.1092 82.2169 in (null):R-9999 (3) and CZ(64) at 3.45486 52.3703 83.6446 in (null):R-9999 (7) other bump:2.42387 Ang NH1(25) at 3.27217 53.1092 82.2169 in (null):R-9999 (3) and NE(63) at 4.61873 51.7472 83.7025 in (null):R-9999 (7) other bump:2.42291 Ang O(27) at 7.748 55.29 82.009 in (null):R-9999 (3) and CD(55) at 9.80621 56.5432 81.7567 in (null):P-9999 (6) other bump:2.87188 Ang C(28) at 7.012 56.023 81.345 in (null):R-9999 (3) and CD(55) at 9.80621 56.5432 81.7567 in (null):P-9999 (6) other bump:1.9363 Ang O(16) at 8.9 57.97 80.812 in (null):M-9999 (2) and CD(55) at 9.80621 56.5432 81.7567 in (null):P-9999 (6) other bump:3.08488 Ang C(17) at 7.931 58.685 80.568 in (null):M-9999 (2) and CD(55) at 9.80621 56.5432 81.7567 in (null):P-9999 (6) Number of specific fragments= 1 total=1097 # 1fwrA.56.56 read from T0147_twice.t2k.frag # found chain 1fwrA in template set T0147_twice 56 :MRIWPRVVD 1fwrA 57 :IRAIAKEVP Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56767 Ang CE3(36) at 31.9676 23.7928 51.8026 in (null):W-9999 (4) and CG2(72) at 33.454 22.524 53.468 in (null):V-9999 (8) other bump:2.60178 Ang CZ3(39) at 31.2159 23.7515 52.9647 in (null):W-9999 (4) and CG2(72) at 33.454 22.524 53.468 in (null):V-9999 (8) other bump:3.17741 Ang CE3(36) at 31.9676 23.7928 51.8026 in (null):W-9999 (4) and CB(70) at 33.428 21.158 52.813 in (null):V-9999 (8) other bump:1.53315 Ang O(8) at 35.782 25.047 45.791 in (null):M-9999 (1) and CD(47) at 36.1939 24.5367 47.1768 in (null):P-9999 (5) other bump:2.54724 Ang C(9) at 35.689 26.166 45.285 in (null):M-9999 (1) and CD(47) at 36.1939 24.5367 47.1768 in (null):P-9999 (5) other bump:2.93849 Ang C(28) at 36.788 25.893 49.715 in (null):I-9999 (3) and CD(47) at 36.1939 24.5367 47.1768 in (null):P-9999 (5) neighbor-bump: 2.46135 Ang N(29) at 35.558 25.724 49.237 in (null):W-9999 (4) and CD(47) at 36.1939 24.5367 47.1768 in (null):P-9999 (5) other bump:3.20828 Ang CA(11) at 38.069 26.548 45.524 in (null):R-9999 (2) and CD(47) at 36.1939 24.5367 47.1768 in (null):P-9999 (5) other bump:2.66677 Ang C(20) at 38.154 26.34 47.043 in (null):R-9999 (2) and CD(47) at 36.1939 24.5367 47.1768 in (null):P-9999 (5) other bump:1.45636 Ang O(8) at 35.782 25.047 45.791 in (null):M-9999 (1) and CG(46) at 36.7281 23.9439 45.8863 in (null):P-9999 (5) other bump:2.52568 Ang C(9) at 35.689 26.166 45.285 in (null):M-9999 (1) and CG(46) at 36.7281 23.9439 45.8863 in (null):P-9999 (5) other bump:3.11848 Ang N(10) at 36.733 26.968 45.125 in (null):R-9999 (2) and CG(46) at 36.7281 23.9439 45.8863 in (null):P-9999 (5) other bump:2.95142 Ang CA(11) at 38.069 26.548 45.524 in (null):R-9999 (2) and CG(46) at 36.7281 23.9439 45.8863 in (null):P-9999 (5) other bump:3.01872 Ang C(20) at 38.154 26.34 47.043 in (null):R-9999 (2) and CG(46) at 36.7281 23.9439 45.8863 in (null):P-9999 (5) Number of specific fragments= 1 total=1098 # 1fq0A.56.56 read from T0147_twice.t2k.frag # found chain 1fq0A in template set T0147_twice 56 :MRIWPRVVD 1fq0A 57 :IRAIAKEVP Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62633 Ang CE3(36) at 32.6547 25.201 49.5007 in (null):W-9999 (4) and CG2(72) at 34.227 23.993 51.223 in (null):V-9999 (8) other bump:2.6552 Ang CZ3(39) at 31.9976 25.3414 50.7114 in (null):W-9999 (4) and CG2(72) at 34.227 23.993 51.223 in (null):V-9999 (8) other bump:1.4322 Ang O(8) at 36.062 25.661 43.115 in (null):M-9999 (1) and CD(47) at 36.2136 24.7561 44.2147 in (null):P-9999 (5) other bump:2.60162 Ang C(9) at 35.933 26.771 42.593 in (null):M-9999 (1) and CD(47) at 36.2136 24.7561 44.2147 in (null):P-9999 (5) other bump:3.19194 Ang C(20) at 38.466 27.017 44.155 in (null):R-9999 (2) and CD(47) at 36.2136 24.7561 44.2147 in (null):P-9999 (5) other bump:1.98415 Ang O(8) at 36.062 25.661 43.115 in (null):M-9999 (1) and CG(46) at 36.3777 23.7022 43.1356 in (null):P-9999 (5) other bump:3.14793 Ang C(9) at 35.933 26.771 42.593 in (null):M-9999 (1) and CG(46) at 36.3777 23.7022 43.1356 in (null):P-9999 (5) Number of specific fragments= 1 total=1099 # 1euaA.56.56 read from T0147_twice.t2k.frag # found chain 1euaA in template set T0147_twice 56 :MRIWPRVVD 1euaA 57 :IRAIAKEVP Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28057 Ang CE3(36) at 17.5086 14.3953 60.3657 in (null):W-9999 (4) and CG2(72) at 16.936 16.51 60.999 in (null):V-9999 (8) other bump:2.36777 Ang CZ3(39) at 18.5415 15.1783 59.8786 in (null):W-9999 (4) and CG2(72) at 16.936 16.51 60.999 in (null):V-9999 (8) other bump:3.38921 Ang CE3(36) at 17.5086 14.3953 60.3657 in (null):W-9999 (4) and CG1(71) at 16.164 17.001 58.666 in (null):V-9999 (8) other bump:3.23193 Ang CZ3(39) at 18.5415 15.1783 59.8786 in (null):W-9999 (4) and CG1(71) at 16.164 17.001 58.666 in (null):V-9999 (8) other bump:2.81148 Ang CE3(36) at 17.5086 14.3953 60.3657 in (null):W-9999 (4) and CB(70) at 15.733 16.553 60.056 in (null):V-9999 (8) other bump:3.13195 Ang CZ3(39) at 18.5415 15.1783 59.8786 in (null):W-9999 (4) and CB(70) at 15.733 16.553 60.056 in (null):V-9999 (8) other bump:1.45907 Ang O(8) at 12.949 9.73 63.489 in (null):M-9999 (1) and CD(47) at 12.935 11.172 63.2667 in (null):P-9999 (5) other bump:2.99069 Ang C(20) at 13.067 10.922 66.244 in (null):R-9999 (2) and CD(47) at 12.935 11.172 63.2667 in (null):P-9999 (5) other bump:2.58664 Ang C(9) at 13.407 8.773 64.111 in (null):M-9999 (1) and CD(47) at 12.935 11.172 63.2667 in (null):P-9999 (5) other bump:1.71464 Ang O(8) at 12.949 9.73 63.489 in (null):M-9999 (1) and CG(46) at 11.5695 10.5924 62.9474 in (null):P-9999 (5) other bump:2.83557 Ang C(9) at 13.407 8.773 64.111 in (null):M-9999 (1) and CG(46) at 11.5695 10.5924 62.9474 in (null):P-9999 (5) Number of specific fragments= 1 total=1100 # 4bp2.56.57 read from T0147_twice.t2k.frag # found chain 4bp2 in template set T0147_twice 56 :MRIWPRVVD 4bp2 51 :CYKQAKKLD Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.68481 Ang O(8) at 27.867 14.291 70.756 in (null):M-9999 (1) and CD(47) at 28.9403 15.3579 71.4965 in (null):P-9999 (5) other bump:2.79387 Ang C(9) at 27.717 13.461 69.85 in (null):M-9999 (1) and CD(47) at 28.9403 15.3579 71.4965 in (null):P-9999 (5) other bump:3.19479 Ang CA(11) at 30.049 12.744 70.032 in (null):R-9999 (2) and CD(47) at 28.9403 15.3579 71.4965 in (null):P-9999 (5) other bump:2.79952 Ang C(20) at 30.695 14.102 69.713 in (null):R-9999 (2) and CD(47) at 28.9403 15.3579 71.4965 in (null):P-9999 (5) neighbor-bump: 2.58713 Ang N(29) at 29.212 16.977 69.497 in (null):W-9999 (4) and CD(47) at 28.9403 15.3579 71.4965 in (null):P-9999 (5) other bump:2.13062 Ang O(8) at 27.867 14.291 70.756 in (null):M-9999 (1) and CG(46) at 28.9699 14.295 72.5789 in (null):P-9999 (5) other bump:3.11648 Ang C(9) at 27.717 13.461 69.85 in (null):M-9999 (1) and CG(46) at 28.9699 14.295 72.5789 in (null):P-9999 (5) other bump:3.17126 Ang CA(11) at 30.049 12.744 70.032 in (null):R-9999 (2) and CG(46) at 28.9699 14.295 72.5789 in (null):P-9999 (5) Number of specific fragments= 1 total=1101 # 1cex.56.57 read from T0147_twice.t2k.frag # found chain 1cex in template set T0147_twice 56 :MRIWPRVVD 1cex 58 :NLESAFGKD Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.79461 Ang C(60) at -12.88 70.411 31.866 in (null):R-9999 (6) and CG2(65) at -13.5418 70.6353 34.5718 in (null):V-9999 (7) neighbor-bump: 1.97128 Ang O(59) at -13.728 70.021 32.708 in (null):R-9999 (6) and CG2(65) at -13.5418 70.6353 34.5718 in (null):V-9999 (7) other bump:1.78982 Ang O(8) at -8.025 71.123 26.312 in (null):M-9999 (1) and CD(47) at -9.41563 71.773 27.2324 in (null):P-9999 (5) other bump:2.90894 Ang C(9) at -6.941 70.558 26.304 in (null):M-9999 (1) and CD(47) at -9.41563 71.773 27.2324 in (null):P-9999 (5) other bump:3.06342 Ang C(20) at -8.418 69.254 28.662 in (null):R-9999 (2) and CD(47) at -9.41563 71.773 27.2324 in (null):P-9999 (5) other bump:2.18401 Ang O(8) at -8.025 71.123 26.312 in (null):M-9999 (1) and CG(46) at -10.1636 71.3996 25.9661 in (null):P-9999 (5) other bump:3.37419 Ang SD(6) at -4.39675 73.6033 24.0485 in (null):M-9999 (1) and CH2(40) at -3.03437 75.7453 26.2713 in (null):W-9999 (4) other bump:2.35098 Ang SD(6) at -4.39675 73.6033 24.0485 in (null):M-9999 (1) and CZ3(39) at -4.16427 75.4509 25.4835 in (null):W-9999 (4) other bump:3.22988 Ang CE(7) at -5.94417 73.986 23.2212 in (null):M-9999 (1) and CZ3(39) at -4.16427 75.4509 25.4835 in (null):W-9999 (4) other bump:2.70031 Ang SD(6) at -4.39675 73.6033 24.0485 in (null):M-9999 (1) and CE3(36) at -5.37741 75.096 26.0737 in (null):W-9999 (4) other bump:3.11293 Ang CE(7) at -5.94417 73.986 23.2212 in (null):M-9999 (1) and CE3(36) at -5.37741 75.096 26.0737 in (null):W-9999 (4) Number of specific fragments= 1 total=1102 # 1b7fA.56.57 read from T0147_twice.t2k.frag # found chain 1b7fA in template set T0147_twice 56 :MRIWPRVVD 1b7fA 179 :SQRAIKVLN Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68713 Ang CD1(33) at 13.6692 56.2456 77.8444 in (null):W-9999 (4) and CG2(72) at 14.6016 53.7255 77.858 in (null):V-9999 (8) other bump:2.60303 Ang NE1(37) at 15.0063 56.277 78.1764 in (null):W-9999 (4) and CG2(72) at 14.6016 53.7255 77.858 in (null):V-9999 (8) other bump:2.77305 Ang NE1(37) at 15.0063 56.277 78.1764 in (null):W-9999 (4) and CG1(71) at 16.4135 54.2811 79.4901 in (null):V-9999 (8) other bump:2.85143 Ang CE2(35) at 15.1408 56.8318 79.4211 in (null):W-9999 (4) and CG1(71) at 16.4135 54.2811 79.4901 in (null):V-9999 (8) other bump:2.87993 Ang CZ2(38) at 16.2908 57.0745 80.1797 in (null):W-9999 (4) and CG1(71) at 16.4135 54.2811 79.4901 in (null):V-9999 (8) other bump:2.83896 Ang NE1(37) at 15.0063 56.277 78.1764 in (null):W-9999 (4) and CB(70) at 15.0267 53.6846 79.3334 in (null):V-9999 (8) other bump:2.51366 Ang NE(15) at 2.57214 55.327 82.0652 in (null):R-9999 (2) and NH1(57) at 2.98898 52.8903 82.5203 in (null):R-9999 (6) other bump:1.56455 Ang CZ(16) at 2.651 54.0898 81.5744 in (null):R-9999 (2) and NH1(57) at 2.98898 52.8903 82.5203 in (null):R-9999 (6) other bump:0.4692 Ang NH1(17) at 3.27217 53.1092 82.2169 in (null):R-9999 (2) and NH1(57) at 2.98898 52.8903 82.5203 in (null):R-9999 (6) other bump:2.46284 Ang NH2(18) at 2.0689 53.806 80.4274 in (null):R-9999 (2) and NH1(57) at 2.98898 52.8903 82.5203 in (null):R-9999 (6) other bump:2.80866 Ang CZ(16) at 2.651 54.0898 81.5744 in (null):R-9999 (2) and CZ(56) at 3.45486 52.3703 83.6446 in (null):R-9999 (6) other bump:1.61788 Ang NH1(17) at 3.27217 53.1092 82.2169 in (null):R-9999 (2) and CZ(56) at 3.45486 52.3703 83.6446 in (null):R-9999 (6) other bump:2.42387 Ang NH1(17) at 3.27217 53.1092 82.2169 in (null):R-9999 (2) and NE(55) at 4.61873 51.7472 83.7025 in (null):R-9999 (6) other bump:2.42291 Ang O(19) at 7.748 55.29 82.009 in (null):R-9999 (2) and CD(47) at 9.80621 56.5432 81.7567 in (null):P-9999 (5) other bump:2.87188 Ang C(20) at 7.012 56.023 81.345 in (null):R-9999 (2) and CD(47) at 9.80621 56.5432 81.7567 in (null):P-9999 (5) other bump:1.9363 Ang O(8) at 8.9 57.97 80.812 in (null):M-9999 (1) and CD(47) at 9.80621 56.5432 81.7567 in (null):P-9999 (5) other bump:3.08488 Ang C(9) at 7.931 58.685 80.568 in (null):M-9999 (1) and CD(47) at 9.80621 56.5432 81.7567 in (null):P-9999 (5) Number of specific fragments= 1 total=1103 # 1fwrA.57.57 read from T0147_twice.t2k.frag # found chain 1fwrA in template set T0147_twice 57 :RIWPRVVDG 1fwrA 58 :RAIAKEVPE Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56767 Ang CE3(28) at 31.9676 23.7928 51.8026 in (null):W-9999 (3) and CG2(64) at 33.454 22.524 53.468 in (null):V-9999 (7) other bump:2.60178 Ang CZ3(31) at 31.2159 23.7515 52.9647 in (null):W-9999 (3) and CG2(64) at 33.454 22.524 53.468 in (null):V-9999 (7) other bump:3.17741 Ang CE3(28) at 31.9676 23.7928 51.8026 in (null):W-9999 (3) and CB(62) at 33.428 21.158 52.813 in (null):V-9999 (7) other bump:1.53315 Ang O(0) at 35.782 25.047 45.791 in (null):G-9999 (0) and CD(39) at 36.1939 24.5367 47.1768 in (null):P-9999 (4) other bump:2.54724 Ang C(1) at 35.689 26.166 45.285 in (null):G-9999 (0) and CD(39) at 36.1939 24.5367 47.1768 in (null):P-9999 (4) other bump:2.93849 Ang C(20) at 36.788 25.893 49.715 in (null):I-9999 (2) and CD(39) at 36.1939 24.5367 47.1768 in (null):P-9999 (4) neighbor-bump: 2.46135 Ang N(21) at 35.558 25.724 49.237 in (null):W-9999 (3) and CD(39) at 36.1939 24.5367 47.1768 in (null):P-9999 (4) other bump:3.20828 Ang CA(3) at 38.069 26.548 45.524 in (null):R-9999 (1) and CD(39) at 36.1939 24.5367 47.1768 in (null):P-9999 (4) other bump:2.66677 Ang C(12) at 38.154 26.34 47.043 in (null):R-9999 (1) and CD(39) at 36.1939 24.5367 47.1768 in (null):P-9999 (4) other bump:1.45636 Ang O(0) at 35.782 25.047 45.791 in (null):G-9999 (0) and CG(38) at 36.7281 23.9439 45.8863 in (null):P-9999 (4) other bump:2.52568 Ang C(1) at 35.689 26.166 45.285 in (null):G-9999 (0) and CG(38) at 36.7281 23.9439 45.8863 in (null):P-9999 (4) other bump:3.11848 Ang N(2) at 36.733 26.968 45.125 in (null):R-9999 (1) and CG(38) at 36.7281 23.9439 45.8863 in (null):P-9999 (4) other bump:2.95142 Ang CA(3) at 38.069 26.548 45.524 in (null):R-9999 (1) and CG(38) at 36.7281 23.9439 45.8863 in (null):P-9999 (4) other bump:3.01872 Ang C(12) at 38.154 26.34 47.043 in (null):R-9999 (1) and CG(38) at 36.7281 23.9439 45.8863 in (null):P-9999 (4) Number of specific fragments= 1 total=1104 # 1fq0A.57.57 read from T0147_twice.t2k.frag # found chain 1fq0A in template set T0147_twice 57 :RIWPRVVDG 1fq0A 58 :RAIAKEVPE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62633 Ang CE3(28) at 32.6547 25.201 49.5007 in (null):W-9999 (3) and CG2(64) at 34.227 23.993 51.223 in (null):V-9999 (7) other bump:2.6552 Ang CZ3(31) at 31.9976 25.3414 50.7114 in (null):W-9999 (3) and CG2(64) at 34.227 23.993 51.223 in (null):V-9999 (7) other bump:1.4322 Ang O(0) at 36.062 25.661 43.115 in (null):G-9999 (0) and CD(39) at 36.2136 24.7561 44.2147 in (null):P-9999 (4) other bump:2.60162 Ang C(1) at 35.933 26.771 42.593 in (null):G-9999 (0) and CD(39) at 36.2136 24.7561 44.2147 in (null):P-9999 (4) other bump:3.19194 Ang C(12) at 38.466 27.017 44.155 in (null):R-9999 (1) and CD(39) at 36.2136 24.7561 44.2147 in (null):P-9999 (4) other bump:1.98415 Ang O(0) at 36.062 25.661 43.115 in (null):G-9999 (0) and CG(38) at 36.3777 23.7022 43.1356 in (null):P-9999 (4) other bump:3.14793 Ang C(1) at 35.933 26.771 42.593 in (null):G-9999 (0) and CG(38) at 36.3777 23.7022 43.1356 in (null):P-9999 (4) Number of specific fragments= 1 total=1105 # 1euaA.57.57 read from T0147_twice.t2k.frag # found chain 1euaA in template set T0147_twice 57 :RIWPRVVDG 1euaA 58 :RAIAKEVPE Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28057 Ang CE3(28) at 17.5086 14.3953 60.3657 in (null):W-9999 (3) and CG2(64) at 16.936 16.51 60.999 in (null):V-9999 (7) other bump:2.36777 Ang CZ3(31) at 18.5415 15.1783 59.8786 in (null):W-9999 (3) and CG2(64) at 16.936 16.51 60.999 in (null):V-9999 (7) other bump:3.38921 Ang CE3(28) at 17.5086 14.3953 60.3657 in (null):W-9999 (3) and CG1(63) at 16.164 17.001 58.666 in (null):V-9999 (7) other bump:3.23193 Ang CZ3(31) at 18.5415 15.1783 59.8786 in (null):W-9999 (3) and CG1(63) at 16.164 17.001 58.666 in (null):V-9999 (7) other bump:2.81148 Ang CE3(28) at 17.5086 14.3953 60.3657 in (null):W-9999 (3) and CB(62) at 15.733 16.553 60.056 in (null):V-9999 (7) other bump:3.13195 Ang CZ3(31) at 18.5415 15.1783 59.8786 in (null):W-9999 (3) and CB(62) at 15.733 16.553 60.056 in (null):V-9999 (7) other bump:1.45907 Ang O(0) at 12.949 9.73 63.489 in (null):G-9999 (0) and CD(39) at 12.935 11.172 63.2667 in (null):P-9999 (4) other bump:2.99069 Ang C(12) at 13.067 10.922 66.244 in (null):R-9999 (1) and CD(39) at 12.935 11.172 63.2667 in (null):P-9999 (4) other bump:2.58664 Ang C(1) at 13.407 8.773 64.111 in (null):G-9999 (0) and CD(39) at 12.935 11.172 63.2667 in (null):P-9999 (4) other bump:1.71464 Ang O(0) at 12.949 9.73 63.489 in (null):G-9999 (0) and CG(38) at 11.5695 10.5924 62.9474 in (null):P-9999 (4) other bump:2.83557 Ang C(1) at 13.407 8.773 64.111 in (null):G-9999 (0) and CG(38) at 11.5695 10.5924 62.9474 in (null):P-9999 (4) Number of specific fragments= 1 total=1106 # 1cex.57.58 read from T0147_twice.t2k.frag # found chain 1cex in template set T0147_twice 57 :RIWPRVVDG 1cex 59 :LESAFGKDG Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.97127 Ang O(51) at -13.728 70.021 32.708 in (null):R-9999 (5) and CG2(57) at -13.5418 70.6353 34.5718 in (null):V-9999 (6) neighbor-bump: 2.7946 Ang C(52) at -12.88 70.411 31.866 in (null):R-9999 (5) and CG2(57) at -13.5418 70.6353 34.5718 in (null):V-9999 (6) other bump:2.62927 Ang NH2(10) at -12.1321 66.318 26.942 in (null):R-9999 (1) and NH2(50) at -13.5814 64.4298 25.8252 in (null):R-9999 (5) other bump:2.22879 Ang CZ(8) at -11.1924 66.7023 26.0879 in (null):R-9999 (1) and NH1(49) at -11.504 64.5943 26.7412 in (null):R-9999 (5) other bump:1.8456 Ang NH2(10) at -12.1321 66.318 26.942 in (null):R-9999 (1) and NH1(49) at -11.504 64.5943 26.7412 in (null):R-9999 (5) other bump:2.19117 Ang NE(7) at -10.0227 66.0697 26.0854 in (null):R-9999 (1) and NH1(49) at -11.504 64.5943 26.7412 in (null):R-9999 (5) other bump:2.46821 Ang CZ(8) at -11.1924 66.7023 26.0879 in (null):R-9999 (1) and CZ(48) at -12.7839 64.9305 26.7359 in (null):R-9999 (5) other bump:1.5468 Ang NH2(10) at -12.1321 66.318 26.942 in (null):R-9999 (1) and CZ(48) at -12.7839 64.9305 26.7359 in (null):R-9999 (5) other bump:2.7852 Ang CZ(8) at -11.1924 66.7023 26.0879 in (null):R-9999 (1) and NE(47) at -13.3007 65.7472 27.6371 in (null):R-9999 (5) other bump:1.47472 Ang NH2(10) at -12.1321 66.318 26.942 in (null):R-9999 (1) and NE(47) at -13.3007 65.7472 27.6371 in (null):R-9999 (5) other bump:2.98491 Ang CZ(8) at -11.1924 66.7023 26.0879 in (null):R-9999 (1) and CD(46) at -12.5603 66.3727 28.7204 in (null):R-9999 (5) other bump:1.83002 Ang NH2(10) at -12.1321 66.318 26.942 in (null):R-9999 (1) and CD(46) at -12.5603 66.3727 28.7204 in (null):R-9999 (5) other bump:1.78982 Ang O(0) at -8.025 71.123 26.312 in (null):G-9999 (0) and CD(39) at -9.41563 71.773 27.2324 in (null):P-9999 (4) other bump:2.90894 Ang C(1) at -6.941 70.558 26.304 in (null):G-9999 (0) and CD(39) at -9.41563 71.773 27.2324 in (null):P-9999 (4) other bump:3.06342 Ang C(12) at -8.418 69.254 28.662 in (null):R-9999 (1) and CD(39) at -9.41563 71.773 27.2324 in (null):P-9999 (4) other bump:2.18401 Ang O(0) at -8.025 71.123 26.312 in (null):G-9999 (0) and CG(38) at -10.1636 71.3996 25.9661 in (null):P-9999 (4) Number of specific fragments= 1 total=1107 # 4bp2.57.58 read from T0147_twice.t2k.frag # found chain 4bp2 in template set T0147_twice 57 :RIWPRVVDG 4bp2 52 :YKQAKKLDS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.68481 Ang O(0) at 27.867 14.291 70.756 in (null):G-9999 (0) and CD(39) at 28.9403 15.3579 71.4965 in (null):P-9999 (4) other bump:2.79386 Ang C(1) at 27.717 13.461 69.85 in (null):G-9999 (0) and CD(39) at 28.9403 15.3579 71.4965 in (null):P-9999 (4) other bump:3.19479 Ang CA(3) at 30.049 12.744 70.032 in (null):R-9999 (1) and CD(39) at 28.9403 15.3579 71.4965 in (null):P-9999 (4) other bump:2.79952 Ang C(12) at 30.695 14.102 69.713 in (null):R-9999 (1) and CD(39) at 28.9403 15.3579 71.4965 in (null):P-9999 (4) neighbor-bump: 2.58713 Ang N(21) at 29.212 16.977 69.497 in (null):W-9999 (3) and CD(39) at 28.9403 15.3579 71.4965 in (null):P-9999 (4) other bump:2.13061 Ang O(0) at 27.867 14.291 70.756 in (null):G-9999 (0) and CG(38) at 28.9699 14.295 72.5789 in (null):P-9999 (4) other bump:3.11647 Ang C(1) at 27.717 13.461 69.85 in (null):G-9999 (0) and CG(38) at 28.9699 14.295 72.5789 in (null):P-9999 (4) other bump:3.17126 Ang CA(3) at 30.049 12.744 70.032 in (null):R-9999 (1) and CG(38) at 28.9699 14.295 72.5789 in (null):P-9999 (4) Number of specific fragments= 1 total=1108 # 1f60A.57.61 read from T0147_twice.t2k.frag # adding 1f60A to template set 1f60A:# found chain 1f60A in template set T0147_twice 57 :RIWPRVVDG 1f60A 62 :KLKAERERG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.69788 Ang O(0) at 43.974 39.659 31.018 in (null):G-9999 (0) and CD(39) at 43.4995 40.1748 29.4715 in (null):P-9999 (4) other bump:2.87059 Ang C(1) at 44.396 38.832 31.845 in (null):G-9999 (0) and CD(39) at 43.4995 40.1748 29.4715 in (null):P-9999 (4) other bump:3.11968 Ang C(12) at 45.071 37.5 29.143 in (null):R-9999 (1) and CD(39) at 43.4995 40.1748 29.4715 in (null):P-9999 (4) other bump:2.34126 Ang O(0) at 43.974 39.659 31.018 in (null):G-9999 (0) and CG(38) at 44.4825 41.3306 29.4595 in (null):P-9999 (4) Number of specific fragments= 1 total=1109 # 1fwrA.58.58 read from T0147_twice.t2k.frag # found chain 1fwrA in template set T0147_twice 58 :IWPRVVDGV 1fwrA 59 :AIAKEVPEA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.27096 Ang O(54) at 34.094 19.295 51.013 in (null):V-9999 (6) and CG1(71) at 32.2328 20.0345 49.9424 in (null):V-9999 (9) other bump:2.56767 Ang CE3(17) at 31.9676 23.7928 51.8026 in (null):W-9999 (2) and CG2(53) at 33.454 22.524 53.468 in (null):V-9999 (6) other bump:2.60178 Ang CZ3(20) at 31.2159 23.7515 52.9647 in (null):W-9999 (2) and CG2(53) at 33.454 22.524 53.468 in (null):V-9999 (6) other bump:3.17741 Ang CE3(17) at 31.9676 23.7928 51.8026 in (null):W-9999 (2) and CB(51) at 33.428 21.158 52.813 in (null):V-9999 (6) other bump:2.93849 Ang C(9) at 36.788 25.893 49.715 in (null):I-9999 (1) and CD(28) at 36.1939 24.5367 47.1768 in (null):P-9999 (3) neighbor-bump: 2.46135 Ang N(10) at 35.558 25.724 49.237 in (null):W-9999 (2) and CD(28) at 36.1939 24.5367 47.1768 in (null):P-9999 (3) other bump:2.66678 Ang C(1) at 38.154 26.34 47.043 in (null):G-9999 (0) and CD(28) at 36.1939 24.5367 47.1768 in (null):P-9999 (3) other bump:3.01873 Ang C(1) at 38.154 26.34 47.043 in (null):G-9999 (0) and CG(27) at 36.7281 23.9439 45.8863 in (null):P-9999 (3) Number of specific fragments= 1 total=1110 # 1fq0A.58.58 read from T0147_twice.t2k.frag # found chain 1fq0A in template set T0147_twice 58 :IWPRVVDGV 1fq0A 59 :AIAKEVPEA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62634 Ang CE3(17) at 32.6547 25.201 49.5007 in (null):W-9999 (2) and CG2(53) at 34.227 23.993 51.223 in (null):V-9999 (6) other bump:2.6552 Ang CZ3(20) at 31.9976 25.3414 50.7114 in (null):W-9999 (2) and CG2(53) at 34.227 23.993 51.223 in (null):V-9999 (6) other bump:3.19194 Ang C(1) at 38.466 27.017 44.155 in (null):G-9999 (0) and CD(28) at 36.2136 24.7561 44.2147 in (null):P-9999 (3) Number of specific fragments= 1 total=1111 # 1euaA.58.58 read from T0147_twice.t2k.frag # found chain 1euaA in template set T0147_twice 58 :IWPRVVDGV 1euaA 59 :AIAKEVPEA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78649 Ang CG1(52) at 16.164 17.001 58.666 in (null):V-9999 (6) and CG2(72) at 15.7748 15.4852 56.3605 in (null):V-9999 (9) other bump:2.28057 Ang CE3(17) at 17.5086 14.3953 60.3657 in (null):W-9999 (2) and CG2(53) at 16.936 16.51 60.999 in (null):V-9999 (6) other bump:2.36777 Ang CZ3(20) at 18.5415 15.1783 59.8786 in (null):W-9999 (2) and CG2(53) at 16.936 16.51 60.999 in (null):V-9999 (6) other bump:3.38921 Ang CE3(17) at 17.5086 14.3953 60.3657 in (null):W-9999 (2) and CG1(52) at 16.164 17.001 58.666 in (null):V-9999 (6) other bump:3.23193 Ang CZ3(20) at 18.5415 15.1783 59.8786 in (null):W-9999 (2) and CG1(52) at 16.164 17.001 58.666 in (null):V-9999 (6) other bump:2.81148 Ang CE3(17) at 17.5086 14.3953 60.3657 in (null):W-9999 (2) and CB(51) at 15.733 16.553 60.056 in (null):V-9999 (6) other bump:3.13195 Ang CZ3(20) at 18.5415 15.1783 59.8786 in (null):W-9999 (2) and CB(51) at 15.733 16.553 60.056 in (null):V-9999 (6) other bump:2.99069 Ang C(1) at 13.067 10.922 66.244 in (null):G-9999 (0) and CD(28) at 12.935 11.172 63.2667 in (null):P-9999 (3) Number of specific fragments= 1 total=1112 # 1f60A.58.62 read from T0147_twice.t2k.frag # found chain 1f60A in template set T0147_twice 58 :IWPRVVDGV 1f60A 63 :LKAERERGI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57193 Ang NE(36) at 45.9517 36.451 21.3189 in (null):R-9999 (4) and CG1(71) at 44.733 38.061 19.726 in (null):V-9999 (9) other bump:2.49164 Ang CZ(37) at 46.7595 36.7236 20.2856 in (null):R-9999 (4) and CG1(71) at 44.733 38.061 19.726 in (null):V-9999 (9) other bump:2.97377 Ang CD(35) at 45.727 37.3589 22.4393 in (null):R-9999 (4) and CG1(71) at 44.733 38.061 19.726 in (null):V-9999 (9) other bump:2.57312 Ang NH1(38) at 47.2859 37.9262 20.018 in (null):R-9999 (4) and CG1(71) at 44.733 38.061 19.726 in (null):V-9999 (9) other bump:3.11967 Ang C(1) at 45.071 37.5 29.143 in (null):G-9999 (0) and CD(28) at 43.4995 40.1748 29.4715 in (null):P-9999 (3) Number of specific fragments= 1 total=1113 # 1cex.58.59 read from T0147_twice.t2k.frag # found chain 1cex in template set T0147_twice 58 :IWPRVVDGV 1cex 60 :ESAFGKDGV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08812 Ang CD1(7) at -6.63592 68.2187 32.7016 in (null):I-9999 (1) and CG1(71) at -9.171 66.795 31.661 in (null):V-9999 (9) neighbor-bump: 2.79461 Ang C(41) at -12.88 70.411 31.866 in (null):R-9999 (4) and CG2(46) at -13.5418 70.6353 34.5718 in (null):V-9999 (5) neighbor-bump: 1.97128 Ang O(40) at -13.728 70.021 32.708 in (null):R-9999 (4) and CG2(46) at -13.5418 70.6353 34.5718 in (null):V-9999 (5) neighbor-bump: 3.20323 Ang CE3(17) at -10.0736 74.428 25.5654 in (null):W-9999 (2) and CD(28) at -9.41563 71.773 27.2324 in (null):P-9999 (3) other bump:3.06343 Ang C(1) at -8.418 69.254 28.662 in (null):G-9999 (0) and CD(28) at -9.41563 71.773 27.2324 in (null):P-9999 (3) neighbor-bump: 2.57822 Ang CG(13) at -7.83398 73.7432 26.7184 in (null):W-9999 (2) and CD(28) at -9.41563 71.773 27.2324 in (null):P-9999 (3) neighbor-bump: 2.6224 Ang CD2(15) at -8.82937 73.8047 25.6814 in (null):W-9999 (2) and CD(28) at -9.41563 71.773 27.2324 in (null):P-9999 (3) neighbor-bump: 3.09638 Ang CE2(16) at -8.35448 73.0166 24.6027 in (null):W-9999 (2) and CD(28) at -9.41563 71.773 27.2324 in (null):P-9999 (3) neighbor-bump: 3.05611 Ang CE3(17) at -10.0736 74.428 25.5654 in (null):W-9999 (2) and CG(27) at -10.1636 71.3997 25.9661 in (null):P-9999 (3) neighbor-bump: 2.76507 Ang CD2(15) at -8.82937 73.8047 25.6814 in (null):W-9999 (2) and CG(27) at -10.1636 71.3997 25.9661 in (null):P-9999 (3) neighbor-bump: 2.78325 Ang CE2(16) at -8.35448 73.0166 24.6027 in (null):W-9999 (2) and CG(27) at -10.1636 71.3997 25.9661 in (null):P-9999 (3) neighbor-bump: 3.09973 Ang CZ2(19) at -9.10062 72.8397 23.4354 in (null):W-9999 (2) and CG(27) at -10.1636 71.3997 25.9661 in (null):P-9999 (3) Number of specific fragments= 1 total=1114 # 4bp2.58.59 read from T0147_twice.t2k.frag # found chain 4bp2 in template set T0147_twice 58 :IWPRVVDGV 4bp2 53 :KQAKKLDSC Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26379 Ang O(29) at 31.508 17.464 74.796 in (null):P-9999 (3) and CG2(72) at 33.1148 18.064 76.2734 in (null):V-9999 (9) other bump:2.79952 Ang C(1) at 30.695 14.102 69.713 in (null):G-9999 (0) and CD(28) at 28.9403 15.3579 71.4965 in (null):P-9999 (3) neighbor-bump: 2.58713 Ang N(10) at 29.212 16.977 69.497 in (null):W-9999 (2) and CD(28) at 28.9403 15.3579 71.4965 in (null):P-9999 (3) Number of specific fragments= 1 total=1115 # 1fwrA.59.59 read from T0147_twice.t2k.frag # found chain 1fwrA in template set T0147_twice 59 :WPRVVDGVG 1fwrA 60 :IAKEVPEAI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87811 Ang CG1(44) at 32.37 20.263 53.42 in (null):V-9999 (5) and CG2(64) at 30.4323 19.3808 51.4834 in (null):V-9999 (8) other bump:2.56767 Ang CE3(9) at 31.9676 23.7928 51.8026 in (null):W-9999 (1) and CG2(45) at 33.454 22.524 53.468 in (null):V-9999 (5) other bump:2.60178 Ang CZ3(12) at 31.2159 23.7515 52.9647 in (null):W-9999 (1) and CG2(45) at 33.454 22.524 53.468 in (null):V-9999 (5) other bump:3.17741 Ang CE3(9) at 31.9676 23.7928 51.8026 in (null):W-9999 (1) and CB(43) at 33.428 21.158 52.813 in (null):V-9999 (5) other bump:2.93849 Ang C(1) at 36.788 25.893 49.715 in (null):G-9999 (0) and CD(20) at 36.1939 24.5367 47.1768 in (null):P-9999 (2) neighbor-bump: 2.46135 Ang N(2) at 35.558 25.724 49.237 in (null):W-9999 (1) and CD(20) at 36.1939 24.5367 47.1768 in (null):P-9999 (2) Number of specific fragments= 1 total=1116 # 1fq0A.59.59 read from T0147_twice.t2k.frag # found chain 1fq0A in template set T0147_twice 59 :WPRVVDGVG 1fq0A 60 :IAKEVPEAI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61438 Ang CG1(44) at 32.965 21.811 51.392 in (null):V-9999 (5) and CG2(64) at 31.223 21.1153 49.5709 in (null):V-9999 (8) other bump:2.62632 Ang CE3(9) at 32.6547 25.201 49.5007 in (null):W-9999 (1) and CG2(45) at 34.227 23.993 51.223 in (null):V-9999 (5) other bump:2.65519 Ang CZ3(12) at 31.9976 25.3414 50.7114 in (null):W-9999 (1) and CG2(45) at 34.227 23.993 51.223 in (null):V-9999 (5) Number of specific fragments= 1 total=1117 # 1euaA.59.59 read from T0147_twice.t2k.frag # found chain 1euaA in template set T0147_twice 59 :WPRVVDGVG 1euaA 60 :IAKEVPEAI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51912 Ang CG1(44) at 16.164 17.001 58.666 in (null):V-9999 (5) and CG2(64) at 15.7027 15.6762 56.5736 in (null):V-9999 (8) other bump:2.28057 Ang CE3(9) at 17.5086 14.3953 60.3657 in (null):W-9999 (1) and CG2(45) at 16.936 16.51 60.999 in (null):V-9999 (5) other bump:2.36777 Ang CZ3(12) at 18.5415 15.1783 59.8786 in (null):W-9999 (1) and CG2(45) at 16.936 16.51 60.999 in (null):V-9999 (5) other bump:3.38921 Ang CE3(9) at 17.5086 14.3953 60.3657 in (null):W-9999 (1) and CG1(44) at 16.164 17.001 58.666 in (null):V-9999 (5) other bump:3.23193 Ang CZ3(12) at 18.5415 15.1783 59.8786 in (null):W-9999 (1) and CG1(44) at 16.164 17.001 58.666 in (null):V-9999 (5) other bump:2.81148 Ang CE3(9) at 17.5086 14.3953 60.3657 in (null):W-9999 (1) and CB(43) at 15.733 16.553 60.056 in (null):V-9999 (5) other bump:3.13195 Ang CZ3(12) at 18.5415 15.1783 59.8786 in (null):W-9999 (1) and CB(43) at 15.733 16.553 60.056 in (null):V-9999 (5) Number of specific fragments= 1 total=1118 # 1f60A.59.63 read from T0147_twice.t2k.frag # found chain 1f60A in template set T0147_twice 59 :WPRVVDGVG 1f60A 64 :KAERERGIT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57193 Ang NE(28) at 45.9517 36.451 21.3189 in (null):R-9999 (3) and CG1(63) at 44.733 38.061 19.726 in (null):V-9999 (8) other bump:2.49164 Ang CZ(29) at 46.7595 36.7236 20.2856 in (null):R-9999 (3) and CG1(63) at 44.733 38.061 19.726 in (null):V-9999 (8) other bump:2.57312 Ang NH1(30) at 47.2859 37.9262 20.018 in (null):R-9999 (3) and CG1(63) at 44.733 38.061 19.726 in (null):V-9999 (8) other bump:2.97376 Ang CD(27) at 45.7271 37.3589 22.4393 in (null):R-9999 (3) and CG1(63) at 44.733 38.061 19.726 in (null):V-9999 (8) Number of specific fragments= 1 total=1119 # 1cex.59.60 read from T0147_twice.t2k.frag # found chain 1cex in template set T0147_twice 59 :WPRVVDGVG 1cex 61 :SAFGKDGVW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.97127 Ang O(32) at -13.728 70.021 32.708 in (null):R-9999 (3) and CG2(38) at -13.5418 70.6353 34.5718 in (null):V-9999 (4) neighbor-bump: 2.7946 Ang C(33) at -12.88 70.411 31.866 in (null):R-9999 (3) and CG2(38) at -13.5418 70.6353 34.5718 in (null):V-9999 (4) Number of specific fragments= 1 total=1120 # 1yasA.59.64 read from T0147_twice.t2k.frag # adding 1yasA to template set 1yasA:# found chain 1yasA in template set T0147_twice 59 :WPRVVDGVG 1yasA 65 :LEALPPGEK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44305 Ang CB(50) at 6.27598 22.241 5.75187 in (null):D-9999 (6) and N(56) at 8.71 22.171 5.554 in (null):G-9999 (7) self-bump: 2.19859 Ang CB(50) at 6.27598 22.241 5.75187 in (null):D-9999 (6) and C(55) at 8.021 22.099 4.422 in (null):D-9999 (6) self-bump: 1.30083 Ang CA(49) at 6.572 22.56 4.526 in (null):D-9999 (6) and CB(50) at 6.27598 22.241 5.75187 in (null):D-9999 (6) Number of specific fragments= 1 total=1121 # 1fwrA.60.60 read from T0147_twice.t2k.frag # found chain 1fwrA in template set T0147_twice 60 :PRVVDGVGI 1fwrA 61 :AKEVPEAIV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63692 Ang C(1) at 35.493 23.307 49.187 in (null):G-9999 (0) and CD1(62) at 33.631 22.3324 47.5943 in (null):I-9999 (9) other bump:2.79161 Ang N(2) at 36.177 23.382 48.052 in (null):P-9999 (1) and CD1(62) at 33.631 22.3324 47.5943 in (null):I-9999 (9) other bump:2.87811 Ang CG1(30) at 32.37 20.263 53.42 in (null):V-9999 (4) and CG2(50) at 30.4323 19.3808 51.4834 in (null):V-9999 (7) Number of specific fragments= 1 total=1122 # 1fq0A.60.60 read from T0147_twice.t2k.frag # found chain 1fq0A in template set T0147_twice 60 :PRVVDGVGI 1fq0A 61 :AKEVPEAIV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64947 Ang C(1) at 35.919 24.166 46.702 in (null):G-9999 (0) and CD1(62) at 33.7429 23.2421 45.5059 in (null):I-9999 (9) other bump:2.77884 Ang N(2) at 36.426 23.965 45.486 in (null):P-9999 (1) and CD1(62) at 33.7429 23.2421 45.5059 in (null):I-9999 (9) other bump:2.61438 Ang CG1(30) at 32.965 21.811 51.392 in (null):V-9999 (4) and CG2(50) at 31.223 21.1153 49.5709 in (null):V-9999 (7) Number of specific fragments= 1 total=1123 # 1f60A.60.64 read from T0147_twice.t2k.frag # found chain 1f60A in template set T0147_twice 60 :PRVVDGVGI 1f60A 65 :AERERGITI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49164 Ang CZ(15) at 46.7595 36.7236 20.2856 in (null):R-9999 (2) and CG1(49) at 44.733 38.061 19.726 in (null):V-9999 (7) other bump:2.57193 Ang NE(14) at 45.9517 36.451 21.3189 in (null):R-9999 (2) and CG1(49) at 44.733 38.061 19.726 in (null):V-9999 (7) other bump:2.57312 Ang NH1(16) at 47.2859 37.9262 20.018 in (null):R-9999 (2) and CG1(49) at 44.733 38.061 19.726 in (null):V-9999 (7) other bump:2.97377 Ang CD(13) at 45.727 37.3589 22.4393 in (null):R-9999 (2) and CG1(49) at 44.733 38.061 19.726 in (null):V-9999 (7) Number of specific fragments= 1 total=1124 # 1euaA.60.60 read from T0147_twice.t2k.frag # found chain 1euaA in template set T0147_twice 60 :PRVVDGVGI 1euaA 61 :AKEVPEAIV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00067 Ang CA(3) at 11.397 12.929 62.607 in (null):P-9999 (1) and CD1(62) at 12.7927 10.7144 61.1403 in (null):I-9999 (9) other bump:2.51461 Ang N(2) at 12.79 12.573 62.834 in (null):P-9999 (1) and CD1(62) at 12.7927 10.7144 61.1403 in (null):I-9999 (9) other bump:2.24532 Ang CD(6) at 12.7503 11.0967 63.3524 in (null):P-9999 (1) and CD1(62) at 12.7927 10.7144 61.1403 in (null):I-9999 (9) other bump:2.51912 Ang CG1(30) at 16.164 17.001 58.666 in (null):V-9999 (4) and CG2(50) at 15.7027 15.6762 56.5736 in (null):V-9999 (7) Number of specific fragments= 1 total=1125 # 1cex.60.61 read from T0147_twice.t2k.frag # found chain 1cex in template set T0147_twice 60 :PRVVDGVGI 1cex 62 :AFGKDGVWI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.97128 Ang O(18) at -13.728 70.021 32.708 in (null):R-9999 (2) and CG2(24) at -13.5418 70.6353 34.5718 in (null):V-9999 (3) neighbor-bump: 2.79461 Ang C(19) at -12.88 70.411 31.866 in (null):R-9999 (2) and CG2(24) at -13.5418 70.6353 34.5718 in (null):V-9999 (3) Number of specific fragments= 1 total=1126 # 1jh6A.60.60 read from T0147_twice.t2k.frag # adding 1jh6A to template set 1jh6A:# found chain 1jh6A in template set T0147_twice 60 :PRVVDGVGI 1jh6A 61 :ESACDGLKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1127 # 1f60A.61.65 read from T0147_twice.t2k.frag # found chain 1f60A in template set T0147_twice 61 :RVVDGVGIL 1f60A 66 :ERERGITID Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58051 Ang NH1(9) at 45.4817 38.6397 19.7525 in (null):R-9999 (1) and CG2(43) at 44.307 39.199 17.524 in (null):V-9999 (6) other bump:0.946637 Ang NH1(9) at 45.4817 38.6397 19.7525 in (null):R-9999 (1) and CG1(42) at 44.733 38.061 19.726 in (null):V-9999 (6) other bump:2.01142 Ang NH2(10) at 45.6802 36.5825 18.7449 in (null):R-9999 (1) and CG1(42) at 44.733 38.061 19.726 in (null):V-9999 (6) other bump:2.88945 Ang CD(6) at 45.768 37.2896 22.3111 in (null):R-9999 (1) and CG1(42) at 44.733 38.061 19.726 in (null):V-9999 (6) other bump:2.16119 Ang NE(7) at 45.8094 36.6764 20.9889 in (null):R-9999 (1) and CG1(42) at 44.733 38.061 19.726 in (null):V-9999 (6) other bump:1.18991 Ang CZ(8) at 45.6568 37.3191 19.8361 in (null):R-9999 (1) and CG1(42) at 44.733 38.061 19.726 in (null):V-9999 (6) other bump:2.08596 Ang NH1(9) at 45.4817 38.6397 19.7525 in (null):R-9999 (1) and CB(41) at 44.17 37.906 18.306 in (null):V-9999 (6) other bump:2.05549 Ang NH2(10) at 45.6802 36.5825 18.7449 in (null):R-9999 (1) and CB(41) at 44.17 37.906 18.306 in (null):V-9999 (6) other bump:2.21274 Ang CZ(8) at 45.6568 37.3191 19.8361 in (null):R-9999 (1) and CB(41) at 44.17 37.906 18.306 in (null):V-9999 (6) other bump:3.16038 Ang NH2(10) at 45.6802 36.5825 18.7449 in (null):R-9999 (1) and CA(40) at 42.676 37.508 18.419 in (null):V-9999 (6) Number of specific fragments= 1 total=1128 # 1fwrA.61.61 read from T0147_twice.t2k.frag # found chain 1fwrA in template set T0147_twice 61 :RVVDGVGIL 1fwrA 62 :KEVPEAIVG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7852 Ang CG1(42) at 29.9605 19.8942 49.0927 in (null):V-9999 (6) and CD1(55) at 31.3071 21.8332 47.6147 in (null):I-9999 (8) other bump:2.87811 Ang CG1(23) at 32.37 20.263 53.42 in (null):V-9999 (3) and CG2(43) at 30.4323 19.3808 51.4834 in (null):V-9999 (6) Number of specific fragments= 1 total=1129 # 1fq0A.61.61 read from T0147_twice.t2k.frag # found chain 1fq0A in template set T0147_twice 61 :RVVDGVGIL 1fq0A 62 :KEVPEAIVG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.34021 Ang CG1(42) at 30.5987 21.2613 47.1645 in (null):V-9999 (6) and CD1(55) at 31.4012 22.8712 45.6676 in (null):I-9999 (8) other bump:2.61438 Ang CG1(23) at 32.965 21.811 51.392 in (null):V-9999 (3) and CG2(43) at 31.223 21.1153 49.5709 in (null):V-9999 (6) Number of specific fragments= 1 total=1130 # 1euaA.61.61 read from T0147_twice.t2k.frag # found chain 1euaA in template set T0147_twice 61 :RVVDGVGIL 1euaA 62 :KEVPEAIVG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51912 Ang CG1(23) at 16.164 17.001 58.666 in (null):V-9999 (3) and CG2(43) at 15.7027 15.6762 56.5736 in (null):V-9999 (6) Number of specific fragments= 1 total=1131 # 1jh6A.61.61 read from T0147_twice.t2k.frag # found chain 1jh6A in template set T0147_twice 61 :RVVDGVGIL 1jh6A 62 :SACDGLKAY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1132 # 1epnE.61.61 read from T0147_twice.t2k.frag # adding 1epnE to template set 1epnE:# found chain 1epnE in template set T0147_twice 61 :RVVDGVGI 1epnE 59 :SKSTTAKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=1133 # 1epnE.62.62 read from T0147_twice.t2k.frag # found chain 1epnE in template set T0147_twice 62 :VVDGVGI 1epnE 60 :KSTTAKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 1 total=1134 # 5er2E.62.62 read from T0147_twice.t2k.frag # adding 5er2E to template set 5er2E:# found chain 5er2E in template set T0147_twice 62 :VVDGVGILR 5er2E 60 :KSTTAKLLS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1135 # 2er7E.62.62 read from T0147_twice.t2k.frag # adding 2er7E to template set 2er7E:# found chain 2er7E in template set T0147_twice 62 :VVDGVGILR 2er7E 60 :KSTTAKLLS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1136 # 1f60A.62.66 read from T0147_twice.t2k.frag # found chain 1f60A in template set T0147_twice 62 :VVDGVGILR 1f60A 67 :RERGITIDI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1137 # 1jh6A.62.62 read from T0147_twice.t2k.frag # found chain 1jh6A in template set T0147_twice 62 :VVDGVGILR 1jh6A 63 :ACDGLKAYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1138 # 1fwrA.62.62 read from T0147_twice.t2k.frag # found chain 1fwrA in template set T0147_twice 62 :VVDGVGILR 1fwrA 63 :EVPEAIVGA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7852 Ang CG1(31) at 29.9605 19.8942 49.0927 in (null):V-9999 (5) and CD1(44) at 31.3071 21.8332 47.6147 in (null):I-9999 (7) other bump:2.87811 Ang CG1(12) at 32.37 20.263 53.42 in (null):V-9999 (2) and CG2(32) at 30.4323 19.3808 51.4834 in (null):V-9999 (5) Number of specific fragments= 1 total=1139 # 1epnE.63.63 read from T0147_twice.t2k.frag # found chain 1epnE in template set T0147_twice 63 :VDGVGI 1epnE 61 :STTAKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0147_twice 71 :G 1epnE 68 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 2 total=1141 Number of alignments=70 # 5er2E.63.63 read from T0147_twice.t2k.frag # found chain 5er2E in template set T0147_twice 63 :VDGVGILRG 5er2E 61 :STTAKLLSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1142 # 2er7E.63.63 read from T0147_twice.t2k.frag # found chain 2er7E in template set T0147_twice 63 :VDGVGILRG 2er7E 61 :STTAKLLSG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.99236 Ang CG1(5) at 30.0764 43.5769 15.9726 in (null):V-9999 (1) and CG2(25) at 27.7664 45.3702 16.6069 in (null):V-9999 (4) other bump:2.79548 Ang CB(4) at 29.8722 43.7501 17.4761 in (null):V-9999 (1) and CG2(25) at 27.7664 45.3702 16.6069 in (null):V-9999 (4) Number of specific fragments= 1 total=1143 # 1jh6A.63.63 read from T0147_twice.t2k.frag # found chain 1jh6A in template set T0147_twice 63 :VDGVGILRG 1jh6A 64 :CDGLKAYTA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1144 # 1yasA.63.68 read from T0147_twice.t2k.frag # found chain 1yasA in template set T0147_twice 63 :VDGVGILRG 1yasA 69 :PPGEKVILV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1145 # 1f60A.63.67 read from T0147_twice.t2k.frag # found chain 1f60A in template set T0147_twice 63 :VDGVGILRG 1f60A 68 :ERGITIDIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1146 # 1epnE.64.64 read from T0147_twice.t2k.frag # found chain 1epnE in template set T0147_twice 64 :DGVGI 1epnE 62 :TTAKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0147_twice 71 :GI 1epnE 68 :GA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 2 total=1148 Number of alignments=71 # 5er2E.64.64 read from T0147_twice.t2k.frag # found chain 5er2E in template set T0147_twice 64 :DGVGILRGI 5er2E 62 :TTAKLLSGA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.52955 Ang CD2(38) at 18.158 51.892 11.153 in (null):L-9999 (6) and CD1(61) at 17.1809 53.0151 11.5043 in (null):I-9999 (9) other bump:2.1543 Ang CG(36) at 19.303 52.716 11.724 in (null):L-9999 (6) and CD1(61) at 17.1809 53.0151 11.5043 in (null):I-9999 (9) other bump:2.95834 Ang CD2(38) at 18.158 51.892 11.153 in (null):L-9999 (6) and CG1(59) at 16.2437 53.7227 12.4705 in (null):I-9999 (9) Number of specific fragments= 1 total=1149 # 2er7E.64.64 read from T0147_twice.t2k.frag # found chain 2er7E in template set T0147_twice 64 :DGVGILRGI 2er7E 62 :TTAKLLSGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1150 # 1yasA.64.69 read from T0147_twice.t2k.frag # found chain 1yasA in template set T0147_twice 64 :DGVGILRGI 1yasA 70 :PGEKVILVG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44305 Ang CB(4) at 6.27598 22.241 5.75187 in (null):D-9999 (1) and N(10) at 8.71 22.171 5.554 in (null):G-9999 (2) self-bump: 2.19859 Ang CB(4) at 6.27598 22.241 5.75187 in (null):D-9999 (1) and C(9) at 8.021 22.099 4.422 in (null):D-9999 (1) self-bump: 1.30083 Ang CA(3) at 6.572 22.56 4.526 in (null):D-9999 (1) and CB(4) at 6.27598 22.241 5.75187 in (null):D-9999 (1) Number of specific fragments= 1 total=1151 # 1qj4A.64.69 read from T0147_twice.t2k.frag # adding 1qj4A to template set 1qj4A:Skipped atom 91, because occupancy 0.31 <= existing 0.690001 Skipped atom 92, because occupancy 0.31 <= existing 0.690001 Skipped atom 93, because occupancy 0.31 <= existing 0.690001 Skipped atom 94, because occupancy 0.31 <= existing 0.690001 Skipped atom 207, because occupancy 0.42 <= existing 0.580001 Skipped atom 208, because occupancy 0.42 <= existing 0.580001 Skipped atom 209, because occupancy 0.42 <= existing 0.580001 Skipped atom 210, because occupancy 0.42 <= existing 0.580001 Skipped atom 445, because occupancy 0.5 <= existing 0.500001 Skipped atom 446, because occupancy 0.5 <= existing 0.500001 Skipped atom 447, because occupancy 0.5 <= existing 0.500001 Skipped atom 448, because occupancy 0.5 <= existing 0.500001 Skipped atom 449, because occupancy 0.5 <= existing 0.500001 Skipped atom 596, because occupancy 0.43 <= existing 0.570001 Skipped atom 597, because occupancy 0.43 <= existing 0.570001 Skipped atom 598, because occupancy 0.43 <= existing 0.570001 Skipped atom 599, because occupancy 0.43 <= existing 0.570001 Skipped atom 649, because occupancy 0.32 <= existing 0.680001 Skipped atom 650, because occupancy 0.32 <= existing 0.680001 Skipped atom 747, because occupancy 0.27 <= existing 0.730001 Skipped atom 748, because occupancy 0.27 <= existing 0.730001 Skipped atom 899, because occupancy 0.33 <= existing 0.670001 Skipped atom 900, because occupancy 0.33 <= existing 0.670001 Skipped atom 1149, because occupancy 0.49 <= existing 0.510001 Skipped atom 1150, because occupancy 0.49 <= existing 0.510001 Skipped atom 1151, because occupancy 0.49 <= existing 0.510001 Skipped atom 1152, because occupancy 0.49 <= existing 0.510001 Skipped atom 1153, because occupancy 0.49 <= existing 0.510001 Skipped atom 1247, because occupancy 0.26 <= existing 0.740001 Skipped atom 1248, because occupancy 0.26 <= existing 0.740001 Skipped atom 1249, because occupancy 0.26 <= existing 0.740001 Skipped atom 1250, because occupancy 0.26 <= existing 0.740001 Skipped atom 1251, because occupancy 0.26 <= existing 0.740001 Skipped atom 1252, because occupancy 0.26 <= existing 0.740001 Skipped atom 1253, because occupancy 0.26 <= existing 0.740001 Skipped atom 1340, because occupancy 0.42 <= existing 0.580001 Skipped atom 1341, because occupancy 0.42 <= existing 0.580001 Skipped atom 1342, because occupancy 0.42 <= existing 0.580001 Skipped atom 1343, because occupancy 0.42 <= existing 0.580001 Skipped atom 1344, because occupancy 0.42 <= existing 0.580001 Skipped atom 1431, because occupancy 0.42 <= existing 0.580001 Skipped atom 1432, because occupancy 0.42 <= existing 0.580001 Skipped atom 1433, because occupancy 0.42 <= existing 0.580001 Skipped atom 1434, because occupancy 0.42 <= existing 0.580001 Skipped atom 1435, because occupancy 0.42 <= existing 0.580001 Skipped atom 1822, because occupancy 0.46 <= existing 0.540001 Skipped atom 1823, because occupancy 0.46 <= existing 0.540001 Skipped atom 1824, because occupancy 0.46 <= existing 0.540001 Skipped atom 1825, because occupancy 0.46 <= existing 0.540001 Skipped atom 1855, because occupancy 0.39 <= existing 0.610001 Skipped atom 1856, because occupancy 0.39 <= existing 0.610001 Skipped atom 1857, because occupancy 0.39 <= existing 0.610001 Skipped atom 1858, because occupancy 0.39 <= existing 0.610001 Skipped atom 1859, because occupancy 0.39 <= existing 0.610001 Skipped atom 2021, because occupancy 0.33 <= existing 0.670001 Skipped atom 2022, because occupancy 0.33 <= existing 0.670001 Skipped atom 2023, because occupancy 0.33 <= existing 0.670001 Skipped atom 2024, because occupancy 0.33 <= existing 0.670001 Skipped atom 2025, because occupancy 0.33 <= existing 0.670001 Skipped atom 2057, because occupancy 0.26 <= existing 0.740001 Skipped atom 2058, because occupancy 0.26 <= existing 0.740001 Skipped atom 2059, because occupancy 0.26 <= existing 0.740001 Skipped atom 2060, because occupancy 0.26 <= existing 0.740001 Skipped atom 2061, because occupancy 0.26 <= existing 0.740001 # found chain 1qj4A in template set T0147_twice 64 :DGVGILRGI 1qj4A 70 :PGEKVILVG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86808 Ang CZ(47) at 11.1036 36.1875 14.8187 in (null):R-9999 (7) and CD1(61) at 12.2931 38.7917 14.99 in (null):I-9999 (9) other bump:2.14838 Ang NH2(49) at 10.6666 37.397 15.1473 in (null):R-9999 (7) and CD1(61) at 12.2931 38.7917 14.99 in (null):I-9999 (9) neighbor-bump: 2.41201 Ang CB(4) at 6.54324 21.3448 5.74292 in (null):D-9999 (1) and N(10) at 8.948 21.274 5.57 in (null):G-9999 (2) self-bump: 2.19141 Ang CB(4) at 6.54324 21.3448 5.74292 in (null):D-9999 (1) and C(9) at 8.284 21.216 4.418 in (null):D-9999 (1) self-bump: 1.29083 Ang CA(3) at 6.82 21.584 4.505 in (null):D-9999 (1) and CB(4) at 6.54324 21.3448 5.74292 in (null):D-9999 (1) Number of specific fragments= 1 total=1152 # 1jh6A.64.64 read from T0147_twice.t2k.frag # found chain 1jh6A in template set T0147_twice 64 :DGVGILRGI 1jh6A 65 :DGLKAYTAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1153 # 1epnE.65.65 read from T0147_twice.t2k.frag # found chain 1epnE in template set T0147_twice 65 :GVGI 1epnE 63 :TAKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 71 :GIE 1epnE 68 :GAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 2 total=1155 Number of alignments=72 # 5er2E.65.65 read from T0147_twice.t2k.frag # found chain 5er2E in template set T0147_twice 65 :GVGILRGIE 5er2E 63 :TAKLLSGAT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55545 Ang CG(28) at 19.303 52.716 11.724 in (null):L-9999 (5) and CD1(53) at 16.7749 52.7727 11.3552 in (null):I-9999 (8) other bump:1.65209 Ang CD2(30) at 18.158 51.892 11.153 in (null):L-9999 (5) and CD1(53) at 16.7749 52.7727 11.3552 in (null):I-9999 (8) other bump:3.03547 Ang CD2(30) at 18.158 51.892 11.153 in (null):L-9999 (5) and CG1(51) at 15.9378 53.577 12.3553 in (null):I-9999 (8) Number of specific fragments= 1 total=1156 # 2er7E.65.65 read from T0147_twice.t2k.frag # found chain 2er7E in template set T0147_twice 65 :GVGILRGIE 2er7E 63 :TAKLLSGAT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64241 Ang CG(28) at 19.174 52.62 11.563 in (null):L-9999 (5) and CD1(53) at 17.3298 51.3008 12.9198 in (null):I-9999 (8) other bump:2.04391 Ang CD2(30) at 18.125 51.607 11.062 in (null):L-9999 (5) and CD1(53) at 17.3298 51.3008 12.9198 in (null):I-9999 (8) other bump:2.65988 Ang CB(27) at 19.836 52.188 12.837 in (null):L-9999 (5) and CD1(53) at 17.3298 51.3008 12.9198 in (null):I-9999 (8) Number of specific fragments= 1 total=1157 # 1yasA.65.70 read from T0147_twice.t2k.frag # found chain 1yasA in template set T0147_twice 65 :GVGILRGIE 1yasA 71 :GEKVILVGE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1158 # 1qj4A.65.70 read from T0147_twice.t2k.frag # found chain 1qj4A in template set T0147_twice 65 :GVGILRGIE 1qj4A 71 :GEKVILVGE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40638 Ang NH2(41) at 10.6666 37.397 15.1473 in (null):R-9999 (6) and CD1(53) at 11.9049 39.1489 14.0573 in (null):I-9999 (8) Number of specific fragments= 1 total=1159 # 4sbvA.65.65 read from T0147_twice.t2k.frag # adding 4sbvA to template set 4sbvA:# found chain 4sbvA in template set T0147_twice 65 :GVGILRGIE 4sbvA 65 :DVTILSHCE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01638 Ang C(47) at 14.296 -48.575 119.476 in (null):G-9999 (7) and CG1(51) at 12.6945 -50.8628 118.336 in (null):I-9999 (8) Number of specific fragments= 1 total=1160 # 1epnE.66.66 read from T0147_twice.t2k.frag # found chain 1epnE in template set T0147_twice 66 :VGI 1epnE 63A:AKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0147_twice 71 :GIEA 1epnE 68 :GATW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 2 total=1162 Number of alignments=73 # 5er2E.66.66 read from T0147_twice.t2k.frag # found chain 5er2E in template set T0147_twice 66 :VGILRGIEA 5er2E 63A:AKLLSGATW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55545 Ang CG(24) at 19.303 52.716 11.724 in (null):L-9999 (4) and CD1(49) at 16.7749 52.7727 11.3552 in (null):I-9999 (7) other bump:1.65209 Ang CD2(26) at 18.158 51.892 11.153 in (null):L-9999 (4) and CD1(49) at 16.7749 52.7727 11.3552 in (null):I-9999 (7) other bump:3.03547 Ang CD2(26) at 18.158 51.892 11.153 in (null):L-9999 (4) and CG1(47) at 15.9378 53.577 12.3553 in (null):I-9999 (7) Number of specific fragments= 1 total=1163 # 2er7E.66.66 read from T0147_twice.t2k.frag # found chain 2er7E in template set T0147_twice 66 :VGILRGIEA 2er7E 63A:AKLLSGATW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65988 Ang CB(23) at 19.836 52.188 12.837 in (null):L-9999 (4) and CD1(49) at 17.3298 51.3008 12.9198 in (null):I-9999 (7) other bump:2.64241 Ang CG(24) at 19.174 52.62 11.563 in (null):L-9999 (4) and CD1(49) at 17.3298 51.3008 12.9198 in (null):I-9999 (7) other bump:2.04391 Ang CD2(26) at 18.125 51.607 11.062 in (null):L-9999 (4) and CD1(49) at 17.3298 51.3008 12.9198 in (null):I-9999 (7) Number of specific fragments= 1 total=1164 # 2gpr.66.66 read from T0147_twice.t2k.frag # adding 2gpr to template set 2gpr:# found chain 2gpr in template set T0147_twice 66 :VGILRGIEA 2gpr 72 :IQTKSGVEI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1165 # 1yasA.66.71 read from T0147_twice.t2k.frag # found chain 1yasA in template set T0147_twice 66 :VGILRGIEA 1yasA 72 :EKVILVGES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1166 # 1qj4A.66.71 read from T0147_twice.t2k.frag # found chain 1qj4A in template set T0147_twice 66 :VGILRGIEA 1qj4A 72 :EKVILVGES Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40638 Ang NH2(37) at 10.6666 37.397 15.1473 in (null):R-9999 (5) and CD1(49) at 11.9049 39.1489 14.0573 in (null):I-9999 (7) Number of specific fragments= 1 total=1167 # 2gpr.67.67 read from T0147_twice.t2k.frag # found chain 2gpr in template set T0147_twice 67 :GILRGIEAN 2gpr 73 :QTKSGVEIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1168 # 1epnE.67.67 read from T0147_twice.t2k.frag # found chain 1epnE in template set T0147_twice 67 :GI 1epnE 64 :KL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0147_twice 71 :GIEAN 1epnE 68 :GATWS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 2 total=1170 Number of alignments=74 # 5er2E.67.67 read from T0147_twice.t2k.frag # found chain 5er2E in template set T0147_twice 67 :GILRGIEAN 5er2E 64 :KLLSGATWS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.50007 Ang O(57) at 10.137 48.218 18.861 in (null):A-9999 (8) and CG(62) at 7.85995 48.7572 19.7411 in (null):N-9999 (9) other bump:1.65209 Ang CD2(19) at 18.158 51.892 11.153 in (null):L-9999 (3) and CD1(42) at 16.7749 52.7727 11.3552 in (null):I-9999 (6) other bump:2.55545 Ang CG(17) at 19.303 52.716 11.724 in (null):L-9999 (3) and CD1(42) at 16.7749 52.7727 11.3552 in (null):I-9999 (6) other bump:3.03547 Ang CD2(19) at 18.158 51.892 11.153 in (null):L-9999 (3) and CG1(40) at 15.9378 53.577 12.3553 in (null):I-9999 (6) Number of specific fragments= 1 total=1171 # 2er7E.67.67 read from T0147_twice.t2k.frag # found chain 2er7E in template set T0147_twice 67 :GILRGIEAN 2er7E 64 :KLLSGATWS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04391 Ang CD2(19) at 18.125 51.607 11.062 in (null):L-9999 (3) and CD1(42) at 17.3298 51.3008 12.9198 in (null):I-9999 (6) other bump:2.64241 Ang CG(17) at 19.174 52.62 11.563 in (null):L-9999 (3) and CD1(42) at 17.3298 51.3008 12.9198 in (null):I-9999 (6) other bump:2.65988 Ang CB(16) at 19.836 52.188 12.837 in (null):L-9999 (3) and CD1(42) at 17.3298 51.3008 12.9198 in (null):I-9999 (6) Number of specific fragments= 1 total=1172 # 4sbvA.67.67 read from T0147_twice.t2k.frag # found chain 4sbvA in template set T0147_twice 67 :GILRGIEAN 4sbvA 67 :TILSHCELS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36728 Ang CA(60) at 10.095 -51.279 128.949 in (null):N-9999 (9) and CB(61) at 9.04884 -50.4751 128.59 in (null):N-9999 (9) neighbor-bump: 3.01638 Ang C(36) at 14.296 -48.575 119.476 in (null):G-9999 (5) and CG1(40) at 12.6945 -50.8628 118.336 in (null):I-9999 (6) Number of specific fragments= 1 total=1173 # 1bgj.67.69 read from T0147_twice.t2k.frag # adding 1bgj to template set 1bgj:# found chain 1bgj in template set T0147_twice 67 :GILRGIEAN 1bgj 70 :LVHEGVEIA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48834 Ang CG2(41) at 11.3972 88.2286 39.9284 in (null):I-9999 (6) and N(45) at 10.499 89.081 37.77 in (null):E-9999 (7) Number of specific fragments= 1 total=1174 # 2gpr.68.68 read from T0147_twice.t2k.frag # found chain 2gpr in template set T0147_twice 68 :ILRGIEANI 2gpr 74 :TKSGVEILL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1175 # 1epnE.68.68 read from T0147_twice.t2k.frag # found chain 1epnE in template set T0147_twice 68 :I 1epnE 65 :L Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 71 :GIEANI 1epnE 68 :GATWSI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 2 total=1177 Number of alignments=75 # 5er2E.68.68 read from T0147_twice.t2k.frag # found chain 5er2E in template set T0147_twice 68 :ILRGIEANI 5er2E 65 :LLSGATWSI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.50007 Ang O(53) at 10.137 48.218 18.861 in (null):A-9999 (7) and CG(58) at 7.85995 48.7572 19.7411 in (null):N-9999 (8) other bump:2.55545 Ang CG(13) at 19.303 52.716 11.724 in (null):L-9999 (2) and CD1(38) at 16.7749 52.7727 11.3552 in (null):I-9999 (5) other bump:1.65209 Ang CD2(15) at 18.158 51.892 11.153 in (null):L-9999 (2) and CD1(38) at 16.7749 52.7727 11.3552 in (null):I-9999 (5) other bump:3.03547 Ang CD2(15) at 18.158 51.892 11.153 in (null):L-9999 (2) and CG1(36) at 15.9378 53.577 12.3553 in (null):I-9999 (5) Number of specific fragments= 1 total=1178 # 2er7E.68.68 read from T0147_twice.t2k.frag # found chain 2er7E in template set T0147_twice 68 :ILRGIEANI 2er7E 65 :LLSGATWSI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65988 Ang CB(12) at 19.836 52.188 12.837 in (null):L-9999 (2) and CD1(38) at 17.3298 51.3008 12.9198 in (null):I-9999 (5) other bump:2.64241 Ang CG(13) at 19.174 52.62 11.563 in (null):L-9999 (2) and CD1(38) at 17.3298 51.3008 12.9198 in (null):I-9999 (5) other bump:2.04391 Ang CD2(15) at 18.125 51.607 11.062 in (null):L-9999 (2) and CD1(38) at 17.3298 51.3008 12.9198 in (null):I-9999 (5) Number of specific fragments= 1 total=1179 # 4sbvA.68.68 read from T0147_twice.t2k.frag # found chain 4sbvA in template set T0147_twice 68 :ILRGIEANI 4sbvA 68 :ILSHCELST Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48021 Ang OD1(60) at 7.73343 -52.5593 129.16 in (null):N-9999 (8) and CG2(67) at 6.71258 -52.9912 131.379 in (null):I-9999 (9) neighbor-bump: 2.22784 Ang OD1(60) at 7.73343 -52.5593 129.16 in (null):N-9999 (8) and N(63) at 9.51 -53.147 130.369 in (null):I-9999 (9) self-bump: 1.38531 Ang CA(56) at 10.095 -51.279 128.949 in (null):N-9999 (8) and CB(57) at 8.94663 -50.5606 128.659 in (null):N-9999 (8) neighbor-bump: 3.01638 Ang C(32) at 14.296 -48.575 119.476 in (null):G-9999 (4) and CG1(36) at 12.6945 -50.8628 118.336 in (null):I-9999 (5) Number of specific fragments= 1 total=1180 # 1fnf.68.68 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 68 :ILRGIEANI 1fnf 1210 :LEYNVSVYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1181 # 2gpr.69.69 read from T0147_twice.t2k.frag # found chain 2gpr in template set T0147_twice 69 :LRGIEANIK 2gpr 75 :KSGVEILLH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1182 # 1fnf.69.69 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 69 :LRGIEANIK 1fnf 1211 :EYNVSVYTV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1183 # 4sbvA.69.69 read from T0147_twice.t2k.frag # found chain 4sbvA in template set T0147_twice 69 :LRGIEANIK 4sbvA 69 :LSHCELSTE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.70251 Ang CG2(59) at 7.21396 -53.7429 133.341 in (null):I-9999 (8) and N(63) at 8.82 -55.849 132.804 in (null):K-9999 (9) neighbor-bump: 2.81642 Ang C(54) at 9.879 -51.87 130.332 in (null):N-9999 (7) and CG1(58) at 7.85824 -51.5505 132.268 in (null):I-9999 (8) neighbor-bump: 2.22784 Ang OD1(52) at 7.73343 -52.5593 129.16 in (null):N-9999 (7) and N(55) at 9.51 -53.147 130.369 in (null):I-9999 (8) self-bump: 1.38531 Ang CA(48) at 10.095 -51.279 128.949 in (null):N-9999 (7) and CB(49) at 8.94663 -50.5606 128.659 in (null):N-9999 (7) neighbor-bump: 3.01638 Ang C(24) at 14.296 -48.575 119.476 in (null):G-9999 (3) and CG1(28) at 12.6945 -50.8628 118.336 in (null):I-9999 (4) Number of specific fragments= 1 total=1184 # 1epnE.69.69 read from T0147_twice.t2k.frag # found chain 1epnE in template set T0147_twice 71 :GIEANIK 1epnE 68 :GATWSIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 1 total=1185 # 5er2E.69.69 read from T0147_twice.t2k.frag # found chain 5er2E in template set T0147_twice 69 :LRGIEANIK 5er2E 66 :LSGATWSIS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.50007 Ang O(45) at 10.137 48.218 18.861 in (null):A-9999 (6) and CG(50) at 7.85995 48.7572 19.7411 in (null):N-9999 (7) other bump:2.55545 Ang CG(5) at 19.303 52.716 11.724 in (null):L-9999 (1) and CD1(30) at 16.7749 52.7727 11.3552 in (null):I-9999 (4) other bump:1.65209 Ang CD2(7) at 18.158 51.892 11.153 in (null):L-9999 (1) and CD1(30) at 16.7749 52.7727 11.3552 in (null):I-9999 (4) other bump:3.03547 Ang CD2(7) at 18.158 51.892 11.153 in (null):L-9999 (1) and CG1(28) at 15.9378 53.577 12.3553 in (null):I-9999 (4) Number of specific fragments= 1 total=1186 # 2er7E.69.69 read from T0147_twice.t2k.frag # found chain 2er7E in template set T0147_twice 69 :LRGIEANIK 2er7E 66 :LSGATWSIS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65988 Ang CB(4) at 19.836 52.188 12.837 in (null):L-9999 (1) and CD1(30) at 17.3298 51.3008 12.9198 in (null):I-9999 (4) other bump:2.64241 Ang CG(5) at 19.174 52.62 11.563 in (null):L-9999 (1) and CD1(30) at 17.3298 51.3008 12.9198 in (null):I-9999 (4) other bump:2.04391 Ang CD2(7) at 18.125 51.607 11.062 in (null):L-9999 (1) and CD1(30) at 17.3298 51.3008 12.9198 in (null):I-9999 (4) Number of specific fragments= 1 total=1187 # 1fnf.70.70 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 70 :RGIEANIKN 1fnf 1212 :YNVSVYTVK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1188 # 2gpr.70.70 read from T0147_twice.t2k.frag # found chain 2gpr in template set T0147_twice 70 :RGIEANIKN 2gpr 76 :SGVEILLHI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1189 # 4sbvA.70.70 read from T0147_twice.t2k.frag # found chain 4sbvA in template set T0147_twice 70 :RGIEANIKN 4sbvA 70 :SHCELSTEL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.70251 Ang CG2(51) at 7.21396 -53.7429 133.341 in (null):I-9999 (7) and N(55) at 8.82 -55.849 132.804 in (null):K-9999 (8) neighbor-bump: 2.81642 Ang C(46) at 9.879 -51.87 130.332 in (null):N-9999 (6) and CG1(50) at 7.85824 -51.5505 132.268 in (null):I-9999 (7) neighbor-bump: 2.22784 Ang OD1(44) at 7.73343 -52.5593 129.16 in (null):N-9999 (6) and N(47) at 9.51 -53.147 130.369 in (null):I-9999 (7) self-bump: 1.38531 Ang CA(40) at 10.095 -51.279 128.949 in (null):N-9999 (6) and CB(41) at 8.94663 -50.5606 128.659 in (null):N-9999 (6) neighbor-bump: 3.01638 Ang C(16) at 14.296 -48.575 119.476 in (null):G-9999 (2) and CG1(20) at 12.6945 -50.8628 118.336 in (null):I-9999 (3) Number of specific fragments= 1 total=1190 # 1bgj.70.72 read from T0147_twice.t2k.frag # found chain 1bgj in template set T0147_twice 70 :RGIEANIKN 1bgj 73 :EGVEIAFAG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.04966 Ang C(46) at 16.997 85.903 32.246 in (null):N-9999 (6) and CG1(50) at 17.9534 83.2624 33.4347 in (null):I-9999 (7) neighbor-bump: 2.48834 Ang CG2(21) at 11.3972 88.2286 39.9284 in (null):I-9999 (3) and N(25) at 10.499 89.081 37.77 in (null):E-9999 (4) Number of specific fragments= 1 total=1191 # 1pbe.70.72 read from T0147_twice.t2k.frag # adding 1pbe to template set 1pbe:# found chain 1pbe in template set T0147_twice 70 :RGIEANIKN 1pbe 73 :EGVEIAFAG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.33971 Ang CA(65) at 16.881 83.938 25.362 in (null):N-9999 (9) and CB(66) at 16.6112 83.0707 24.3772 in (null):N-9999 (9) Number of specific fragments= 1 total=1192 # 1do6A.70.49 read from T0147_twice.t2k.frag # adding 1do6A to template set 1do6A:# found chain 1do6A in template set T0147_twice 70 :RGIEANIKN 1do6A 50 :RYIELYFLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1193 # 1fnf.71.71 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 71 :GIEANIKNV 1fnf 1213 :NVSVYTVKD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.50015 Ang CG1(64) at 28.7686 -23.1612 68.4475 in (null):V-9999 (9) and N(68) at 26.732 -24.477 67.838 in (null):G-9999 (10) self-bump: 2.4772 Ang CG1(64) at 28.7686 -23.1612 68.4475 in (null):V-9999 (9) and C(67) at 26.638 -23.321 67.194 in (null):V-9999 (9) self-bump: 1.29619 Ang CA(62) at 26.73 -22.049 68.021 in (null):V-9999 (9) and CB(63) at 27.6477 -22.2505 68.914 in (null):V-9999 (9) Number of specific fragments= 1 total=1194 # 2gpr.71.71 read from T0147_twice.t2k.frag # found chain 2gpr in template set T0147_twice 71 :GIEANIKNV 2gpr 77 :GVEILLHIG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.0033 Ang CG1(64) at 28.1346 24.9252 4.24784 in (null):V-9999 (9) and CA(69) at 28.191 27.489 5.811 in (null):G-9999 (10) neighbor-bump: 2.43538 Ang CB(63) at 26.7389 24.615 3.73864 in (null):V-9999 (9) and N(68) at 27.43 26.528 5.078 in (null):G-9999 (10) neighbor-bump: 1.9377 Ang CG1(64) at 28.1346 24.9252 4.24784 in (null):V-9999 (9) and N(68) at 27.43 26.528 5.078 in (null):G-9999 (10) self-bump: 2.3771 Ang CG1(64) at 28.1346 24.9252 4.24784 in (null):V-9999 (9) and C(67) at 26.388 25.899 5.533 in (null):V-9999 (9) self-bump: 1.30004 Ang CA(62) at 25.764 24.903 4.549 in (null):V-9999 (9) and CB(63) at 26.7389 24.615 3.73864 in (null):V-9999 (9) Number of specific fragments= 1 total=1195 # 1bgj.71.73 read from T0147_twice.t2k.frag # found chain 1bgj in template set T0147_twice 71 :GIEANIKNV 1bgj 74 :GVEIAFAGQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.04966 Ang C(35) at 16.997 85.903 32.246 in (null):N-9999 (5) and CG1(39) at 17.9534 83.2624 33.4347 in (null):I-9999 (6) neighbor-bump: 2.48834 Ang CG2(10) at 11.3972 88.2286 39.9284 in (null):I-9999 (2) and N(14) at 10.499 89.081 37.77 in (null):E-9999 (3) Number of specific fragments= 1 total=1196 # 1pbe.71.73 read from T0147_twice.t2k.frag # found chain 1pbe in template set T0147_twice 71 :GIEANIKNV 1pbe 74 :GVEIAFAGQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.03383 Ang ND2(32) at 15.6475 87.231 29.1937 in (null):N-9999 (5) and O(66) at 14.528 85.562 29.506 in (null):V-9999 (9) Number of specific fragments= 1 total=1197 # 1tfpA.71.72 read from T0147_twice.t2k.frag # adding 1tfpA to template set 1tfpA:# found chain 1tfpA in template set T0147_twice 71 :GIEANIKNV 1tfpA 70 :RVEFDTSSY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94124 Ang CA(37) at 19.216 -15.137 -17.112 in (null):I-9999 (6) and CG2(65) at 21.1557 -14.794 -19.2962 in (null):V-9999 (9) Number of specific fragments= 1 total=1198 # 1do6A.71.50 read from T0147_twice.t2k.frag # found chain 1do6A in template set T0147_twice 71 :GIEANIKNV 1do6A 51 :YIELYFLPE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1199 # 1fnf.72.72 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 72 :IEANIKNVD 1fnf 1214 :VSVYTVKDD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.50015 Ang CG1(60) at 28.7686 -23.1612 68.4475 in (null):V-9999 (8) and N(64) at 26.732 -24.477 67.838 in (null):D-9999 (9) self-bump: 2.47719 Ang CG1(60) at 28.7686 -23.1612 68.4475 in (null):V-9999 (8) and C(63) at 26.638 -23.321 67.194 in (null):V-9999 (8) self-bump: 1.29619 Ang CA(58) at 26.73 -22.049 68.021 in (null):V-9999 (8) and CB(59) at 27.6477 -22.2505 68.914 in (null):V-9999 (8) Number of specific fragments= 1 total=1200 # 2gpr.72.72 read from T0147_twice.t2k.frag # found chain 2gpr in template set T0147_twice 72 :IEANIKNVD 2gpr 78 :VEILLHIGL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.0033 Ang CG1(60) at 28.1346 24.9252 4.24783 in (null):V-9999 (8) and CA(65) at 28.191 27.489 5.811 in (null):D-9999 (9) neighbor-bump: 2.43537 Ang CB(59) at 26.7389 24.615 3.73864 in (null):V-9999 (8) and N(64) at 27.43 26.528 5.078 in (null):D-9999 (9) neighbor-bump: 1.9377 Ang CG1(60) at 28.1346 24.9252 4.24783 in (null):V-9999 (8) and N(64) at 27.43 26.528 5.078 in (null):D-9999 (9) self-bump: 2.3771 Ang CG1(60) at 28.1346 24.9252 4.24783 in (null):V-9999 (8) and C(63) at 26.388 25.899 5.533 in (null):V-9999 (8) self-bump: 1.30004 Ang CA(58) at 25.764 24.903 4.549 in (null):V-9999 (8) and CB(59) at 26.7389 24.615 3.73864 in (null):V-9999 (8) Number of specific fragments= 1 total=1201 # 1tfpA.72.73 read from T0147_twice.t2k.frag # found chain 1tfpA in template set T0147_twice 72 :IEANIKNVD 1tfpA 71 :VEFDTSSYW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94124 Ang CA(33) at 19.216 -15.137 -17.112 in (null):I-9999 (5) and CG2(61) at 21.1557 -14.794 -19.2962 in (null):V-9999 (8) Number of specific fragments= 1 total=1202 # 1frb.72.72 read from T0147_twice.t2k.frag # adding 1frb to template set 1frb:# found chain 1frb in template set T0147_twice 72 :IEANIKNVD 1frb 73 :FIVSKLWPT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.61145 Ang ND2(53) at 68.7833 -4.91717 31.1452 in (null):N-9999 (7) and OD1(68) at 67.8607 -3.82019 31.8816 in (null):D-9999 (9) other bump:1.9424 Ang CG(52) at 69.7525 -4.24636 31.7698 in (null):N-9999 (7) and OD1(68) at 67.8607 -3.82019 31.8816 in (null):D-9999 (9) other bump:2.5782 Ang ND2(53) at 68.7833 -4.91717 31.1452 in (null):N-9999 (7) and CG(67) at 66.6331 -3.626 31.7424 in (null):D-9999 (9) Number of specific fragments= 1 total=1203 # 1do6A.72.51 read from T0147_twice.t2k.frag # found chain 1do6A in template set T0147_twice 72 :IEANIKNVD 1do6A 52 :IELYFLPEG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.95758 Ang CG1(60) at 0.74622 36.1077 44.6251 in (null):V-9999 (8) and OD1(68) at -1.57952 34.5491 45.5785 in (null):D-9999 (9) neighbor-bump: 3.146 Ang CG1(60) at 0.74622 36.1077 44.6251 in (null):V-9999 (8) and CG(67) at -0.898035 33.534 45.38 in (null):D-9999 (9) neighbor-bump: 3.18676 Ang CG1(60) at 0.74622 36.1077 44.6251 in (null):V-9999 (8) and CA(65) at 0.83 34.142 47.132 in (null):D-9999 (9) neighbor-bump: 2.08152 Ang CG1(60) at 0.74622 36.1077 44.6251 in (null):V-9999 (8) and N(64) at 1.496 35.11 46.291 in (null):D-9999 (9) self-bump: 2.39141 Ang CG1(60) at 0.74622 36.1077 44.6251 in (null):V-9999 (8) and C(63) at 2.503 34.749 45.512 in (null):V-9999 (8) self-bump: 1.31757 Ang CA(58) at 3.135 35.85 44.649 in (null):V-9999 (8) and CB(59) at 2.1325 36.6241 44.2861 in (null):V-9999 (8) Number of specific fragments= 1 total=1204 # 1bgj.72.74 read from T0147_twice.t2k.frag # found chain 1bgj in template set T0147_twice 72 :IEANIKNVD 1bgj 75 :VEIAFAGQR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.34242 Ang ND2(28) at 15.8486 87.7211 29.5496 in (null):N-9999 (4) and OD1(68) at 13.9859 89.0903 29.927 in (null):D-9999 (9) neighbor-bump: 3.04966 Ang C(31) at 16.997 85.903 32.246 in (null):N-9999 (4) and CG1(35) at 17.9534 83.2624 33.4347 in (null):I-9999 (5) neighbor-bump: 2.48833 Ang CG2(6) at 11.3971 88.2286 39.9284 in (null):I-9999 (1) and N(10) at 10.499 89.081 37.77 in (null):E-9999 (2) Number of specific fragments= 1 total=1205 # 1fnf.73.73 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 73 :EANIKNVDG 1fnf 1215 :SVYTVKDDK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.50015 Ang CG1(52) at 28.7686 -23.1612 68.4475 in (null):V-9999 (7) and N(56) at 26.732 -24.477 67.838 in (null):D-9999 (8) self-bump: 2.47719 Ang CG1(52) at 28.7686 -23.1612 68.4475 in (null):V-9999 (7) and C(55) at 26.638 -23.321 67.194 in (null):V-9999 (7) self-bump: 1.29619 Ang CA(50) at 26.73 -22.049 68.021 in (null):V-9999 (7) and CB(51) at 27.6477 -22.2505 68.914 in (null):V-9999 (7) Number of specific fragments= 1 total=1206 # 1k9jA.73.75 read from T0147_twice.t2k.frag # found chain 1k9jA in training set T0147_twice 73 :EANIKNVDG 1k9jA 336 :EGTWQWVDG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.52525 Ang C(10) at 11.239 25.415 45.863 in (null):E-9999 (1) and CB(13) at 12.0445 23.8196 47.647 in (null):A-9999 (2) neighbor-bump: 2.11033 Ang O(9) at 11.571 25.771 46.998 in (null):E-9999 (1) and CB(13) at 12.0445 23.8196 47.647 in (null):A-9999 (2) Number of specific fragments= 1 total=1207 # 1frb.73.73 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 73 :EANIKNVDG 1frb 74 :IVSKLWPTC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1208 # 2gpr.73.73 read from T0147_twice.t2k.frag # found chain 2gpr in template set T0147_twice 73 :EANIKNVDG 2gpr 79 :EILLHIGLD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.00047 Ang CG1(52) at 28.1346 24.9252 4.24783 in (null):V-9999 (7) and CG(59) at 30.0184 25.6735 6.46015 in (null):D-9999 (8) neighbor-bump: 2.83712 Ang CG1(52) at 28.1346 24.9252 4.24783 in (null):V-9999 (7) and CB(58) at 29.7423 26.8666 5.54998 in (null):D-9999 (8) neighbor-bump: 3.0033 Ang CG1(52) at 28.1346 24.9252 4.24783 in (null):V-9999 (7) and CA(57) at 28.191 27.489 5.811 in (null):D-9999 (8) neighbor-bump: 2.43537 Ang CB(51) at 26.7389 24.615 3.73864 in (null):V-9999 (7) and N(56) at 27.43 26.528 5.078 in (null):D-9999 (8) neighbor-bump: 1.9377 Ang CG1(52) at 28.1346 24.9252 4.24783 in (null):V-9999 (7) and N(56) at 27.43 26.528 5.078 in (null):D-9999 (8) self-bump: 2.3771 Ang CG1(52) at 28.1346 24.9252 4.24783 in (null):V-9999 (7) and C(55) at 26.388 25.899 5.533 in (null):V-9999 (7) self-bump: 1.30004 Ang CA(50) at 25.764 24.903 4.549 in (null):V-9999 (7) and CB(51) at 26.7389 24.615 3.73864 in (null):V-9999 (7) Number of specific fragments= 1 total=1209 # 1fwcB.73.77 read from T0147_twice.t2k.frag # found chain 1fwcB in template set T0147_twice 73 :EANIKNVDG 1fwcB 78 :EVELVAFAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1210 # 2kauB.73.77 read from T0147_twice.t2k.frag # found chain 2kauB in template set T0147_twice 73 :EANIKNVDG 2kauB 78 :EVELVAFAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1211 # 1fnf.74.74 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 74 :ANIKNVDGE 1fnf 1216 :VYTVKDDKE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.50015 Ang CG1(43) at 28.7686 -23.1612 68.4475 in (null):V-9999 (6) and N(47) at 26.732 -24.477 67.838 in (null):D-9999 (7) self-bump: 2.47719 Ang CG1(43) at 28.7686 -23.1612 68.4475 in (null):V-9999 (6) and C(46) at 26.638 -23.321 67.194 in (null):V-9999 (6) self-bump: 1.29619 Ang CA(41) at 26.73 -22.049 68.021 in (null):V-9999 (6) and CB(42) at 27.6477 -22.2505 68.914 in (null):V-9999 (6) Number of specific fragments= 1 total=1212 # 1k9jA.74.76 read from T0147_twice.t2k.frag # found chain 1k9jA in training set T0147_twice 74 :ANIKNVDGE 1k9jA 337 :GTWQWVDGS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.52526 Ang C(1) at 11.239 25.415 45.863 in (null):G-9999 (0) and CB(4) at 12.0445 23.8196 47.647 in (null):A-9999 (1) neighbor-bump: 2.11034 Ang O(0) at 11.571 25.771 46.998 in (null):G-9999 (0) and CB(4) at 12.0445 23.8196 47.647 in (null):A-9999 (1) Number of specific fragments= 1 total=1213 # 1bsjA.74.74 read from T0147_twice.t2k.frag # adding 1bsjA to template set 1bsjA:# found chain 1bsjA in template set T0147_twice 74 :ANIKNVDGE 1bsjA 75 :PELLEKSGE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.70638 Ang OD1(51) at 63.8987 50.0404 75.0516 in (null):D-9999 (7) and CA(56) at 61.814 48.578 75.968 in (null):G-9999 (8) neighbor-bump: 1.99962 Ang OD1(51) at 63.8987 50.0404 75.0516 in (null):D-9999 (7) and N(55) at 62.252 48.981 74.646 in (null):G-9999 (8) other bump:2.58048 Ang CD1(20) at 56.681 52.7806 66.6755 in (null):I-9999 (3) and CG2(44) at 58.5859 52.1253 68.2882 in (null):V-9999 (6) Number of specific fragments= 1 total=1214 # 1icjA.74.74 read from T0147_twice.t2k.frag # adding 1icjA to template set 1icjA:Skipped atom 85, because occupancy 0.16 <= existing 0.840001 Skipped atom 87, because occupancy 0.16 <= existing 0.840001 Skipped atom 89, because occupancy 0.16 <= existing 0.840001 Skipped atom 91, because occupancy 0.16 <= existing 0.840001 Skipped atom 1062, because occupancy 0.27 <= existing 0.730001 Skipped atom 1064, because occupancy 0.27 <= existing 0.730001 Skipped atom 1066, because occupancy 0.27 <= existing 0.730001 Skipped atom 1187, because occupancy 0.34 <= existing 0.660001 Skipped atom 1189, because occupancy 0.34 <= existing 0.660001 Skipped atom 1191, because occupancy 0.34 <= existing 0.660001 Skipped atom 1254, because occupancy 0.33 <= existing 0.330001 Skipped atom 1257, because occupancy 0.33 <= existing 0.330001 Skipped atom 1260, because occupancy 0.33 <= existing 0.330001 Skipped atom 1263, because occupancy 0.33 <= existing 0.330001 Skipped atom 1266, because occupancy 0.33 <= existing 0.330001 Skipped atom 1269, because occupancy 0.33 <= existing 0.330001 # found chain 1icjA in template set T0147_twice 74 :ANIKNVDGE 1icjA 75 :PELLEKSGE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.8284 Ang OD1(51) at 41.2992 16.6903 68.3603 in (null):D-9999 (7) and CA(56) at 39.436 18.494 67.231 in (null):G-9999 (8) neighbor-bump: 2.17653 Ang OD1(51) at 41.2992 16.6903 68.3603 in (null):D-9999 (7) and N(55) at 40.851 18.315 66.983 in (null):G-9999 (8) other bump:2.58516 Ang CD1(20) at 47.8705 25.5315 66.3088 in (null):I-9999 (3) and CG2(44) at 46.6417 23.2602 66.189 in (null):V-9999 (6) other bump:2.55058 Ang ND2(11) at 56.2299 26.4677 67.7577 in (null):N-9999 (2) and CE(28) at 57.0745 24.3509 68.9028 in (null):K-9999 (4) Number of specific fragments= 1 total=1215 # 1bs4A.74.74 read from T0147_twice.t2k.frag # adding 1bs4A to template set 1bs4A:Skipped atom 85, because occupancy 1 <= existing 1 Skipped atom 87, because occupancy 1 <= existing 1 Skipped atom 89, because occupancy 1 <= existing 1 Skipped atom 91, because occupancy 1 <= existing 1 Skipped atom 1019, because occupancy 1 <= existing 1 Skipped atom 1062, because occupancy 1 <= existing 1 Skipped atom 1064, because occupancy 1 <= existing 1 Skipped atom 1066, because occupancy 1 <= existing 1 Skipped atom 1187, because occupancy 1 <= existing 1 Skipped atom 1189, because occupancy 1 <= existing 1 Skipped atom 1191, because occupancy 1 <= existing 1 Skipped atom 1198, because occupancy 1 <= existing 1 Skipped atom 1200, because occupancy 1 <= existing 1 Skipped atom 1202, because occupancy 1 <= existing 1 Skipped atom 1204, because occupancy 1 <= existing 1 Skipped atom 1229, because occupancy 1 <= existing 1 Skipped atom 1231, because occupancy 1 <= existing 1 Skipped atom 1233, because occupancy 1 <= existing 1 Skipped atom 1235, because occupancy 1 <= existing 1 Skipped atom 1237, because occupancy 1 <= existing 1 Skipped atom 1239, because occupancy 1 <= existing 1 Skipped atom 1254, because occupancy 1 <= existing 1 Skipped atom 1255, because occupancy 1 <= existing 1 Skipped atom 1257, because occupancy 1 <= existing 1 Skipped atom 1258, because occupancy 1 <= existing 1 Skipped atom 1260, because occupancy 1 <= existing 1 Skipped atom 1261, because occupancy 1 <= existing 1 Skipped atom 1263, because occupancy 1 <= existing 1 Skipped atom 1264, because occupancy 1 <= existing 1 Skipped atom 1266, because occupancy 1 <= existing 1 Skipped atom 1267, because occupancy 1 <= existing 1 Skipped atom 1269, because occupancy 1 <= existing 1 Skipped atom 1270, because occupancy 1 <= existing 1 # found chain 1bs4A in template set T0147_twice 74 :ANIKNVDGE 1bs4A 75 :PELLEKSGE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.81664 Ang OD1(51) at 41.3463 16.7181 68.3007 in (null):D-9999 (7) and CA(56) at 39.492 18.511 67.169 in (null):G-9999 (8) neighbor-bump: 2.15757 Ang OD1(51) at 41.3463 16.7181 68.3007 in (null):D-9999 (7) and N(55) at 40.905 18.318 66.922 in (null):G-9999 (8) other bump:2.63139 Ang CD1(20) at 47.902 25.6344 66.1414 in (null):I-9999 (3) and CG2(44) at 46.5447 23.3804 66.1755 in (null):V-9999 (6) Number of specific fragments= 1 total=1216 # 1frb.74.74 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 74 :ANIKNVDGE 1frb 75 :VSKLWPTCF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1217 # 1fnf.75.75 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 75 :NIKNVDGEI 1fnf 1217 :YTVKDDKES Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76016 Ang N(10) at 18.162 -21.375 61.427 in (null):I-9999 (2) and CG2(67) at 16.3116 -23.3561 61.9463 in (null):I-9999 (9) neighbor-bump: 2.50015 Ang CG1(38) at 28.7686 -23.1612 68.4475 in (null):V-9999 (5) and N(42) at 26.732 -24.477 67.838 in (null):D-9999 (6) self-bump: 2.47719 Ang CG1(38) at 28.7686 -23.1612 68.4475 in (null):V-9999 (5) and C(41) at 26.638 -23.321 67.194 in (null):V-9999 (5) self-bump: 1.29619 Ang CA(36) at 26.73 -22.049 68.021 in (null):V-9999 (5) and CB(37) at 27.6477 -22.2505 68.914 in (null):V-9999 (5) Number of specific fragments= 1 total=1218 # 1k9jA.75.77 read from T0147_twice.t2k.frag # found chain 1k9jA in training set T0147_twice 75 :NIKNVDGEI 1k9jA 338 :TWQWVDGSP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13452 Ang NZ(24) at 1.37458 23.831 49.575 in (null):K-9999 (3) and CG1(66) at 2.34575 20.8559 49.4 in (null):I-9999 (9) Number of specific fragments= 1 total=1219 # 1bsjA.75.75 read from T0147_twice.t2k.frag # found chain 1bsjA in template set T0147_twice 75 :NIKNVDGEI 1bsjA 76 :ELLEKSGET Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.70638 Ang OD1(46) at 63.8987 50.0404 75.0516 in (null):D-9999 (6) and CA(51) at 61.814 48.578 75.968 in (null):G-9999 (7) neighbor-bump: 1.99962 Ang OD1(46) at 63.8987 50.0404 75.0516 in (null):D-9999 (6) and N(50) at 62.252 48.981 74.646 in (null):G-9999 (7) other bump:2.58048 Ang CD1(15) at 56.681 52.7806 66.6755 in (null):I-9999 (2) and CG2(39) at 58.5859 52.1253 68.2882 in (null):V-9999 (5) Number of specific fragments= 1 total=1220 # 1icjA.75.75 read from T0147_twice.t2k.frag # found chain 1icjA in template set T0147_twice 75 :NIKNVDGEI 1icjA 76 :ELLEKSGET Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.8284 Ang OD1(46) at 41.2992 16.6903 68.3603 in (null):D-9999 (6) and CA(51) at 39.436 18.494 67.231 in (null):G-9999 (7) neighbor-bump: 2.17653 Ang OD1(46) at 41.2992 16.6903 68.3603 in (null):D-9999 (6) and N(50) at 40.851 18.315 66.983 in (null):G-9999 (7) other bump:2.58515 Ang CD1(15) at 47.8705 25.5315 66.3088 in (null):I-9999 (2) and CG2(39) at 46.6417 23.2602 66.189 in (null):V-9999 (5) other bump:2.55059 Ang ND2(6) at 56.2299 26.4677 67.7577 in (null):N-9999 (1) and CE(23) at 57.0745 24.3509 68.9028 in (null):K-9999 (3) Number of specific fragments= 1 total=1221 # 1bs4A.75.75 read from T0147_twice.t2k.frag # found chain 1bs4A in template set T0147_twice 75 :NIKNVDGEI 1bs4A 76 :ELLEKSGET Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.81664 Ang OD1(46) at 41.3463 16.7181 68.3007 in (null):D-9999 (6) and CA(51) at 39.492 18.511 67.169 in (null):G-9999 (7) neighbor-bump: 2.15757 Ang OD1(46) at 41.3463 16.7181 68.3007 in (null):D-9999 (6) and N(50) at 40.905 18.318 66.922 in (null):G-9999 (7) other bump:2.63138 Ang CD1(15) at 47.902 25.6344 66.1414 in (null):I-9999 (2) and CG2(39) at 46.5447 23.3804 66.1755 in (null):V-9999 (5) Number of specific fragments= 1 total=1222 # 3eipA.75.75 read from T0147_twice.t2k.frag # adding 3eipA to template set 3eipA:# found chain 3eipA in template set T0147_twice 75 :NIKNVDGE 3eipA 76 :SFDYRDGD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.60108 Ang C(53) at 3.127 15.811 36.973 in (null):G-9999 (7) and CB(56) at 3.54681 14.0826 38.8709 in (null):E-9999 (8) Number of specific fragments= 1 total=1223 # 1fnf.76.76 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 76 :IKNVDGEID 1fnf 1218 :TVKDDKESV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76016 Ang N(2) at 18.162 -21.375 61.427 in (null):I-9999 (1) and CG2(59) at 16.3116 -23.3561 61.9463 in (null):I-9999 (8) neighbor-bump: 2.50015 Ang CG1(30) at 28.7686 -23.1612 68.4475 in (null):V-9999 (4) and N(34) at 26.732 -24.477 67.838 in (null):D-9999 (5) self-bump: 2.47719 Ang CG1(30) at 28.7686 -23.1612 68.4475 in (null):V-9999 (4) and C(33) at 26.638 -23.321 67.194 in (null):V-9999 (4) self-bump: 1.29619 Ang CA(28) at 26.73 -22.049 68.021 in (null):V-9999 (4) and CB(29) at 27.6477 -22.2505 68.914 in (null):V-9999 (4) Number of specific fragments= 1 total=1224 # 1k9jA.76.78 read from T0147_twice.t2k.frag # found chain 1k9jA in training set T0147_twice 76 :IKNVDGEID 1k9jA 339 :WQWVDGSPL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13453 Ang NZ(16) at 1.37457 23.831 49.575 in (null):K-9999 (2) and CG1(58) at 2.34575 20.8559 49.4 in (null):I-9999 (8) Number of specific fragments= 1 total=1225 # 1bsjA.76.76 read from T0147_twice.t2k.frag # found chain 1bsjA in template set T0147_twice 76 :IKNVDGEID 1bsjA 77 :LLEKSGETG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.35388 Ang CG2(59) at 54.241 49.2962 79.431 in (null):I-9999 (8) and N(63) at 53.559 47.078 79.825 in (null):D-9999 (9) neighbor-bump: 2.70638 Ang OD1(38) at 63.8987 50.0404 75.0516 in (null):D-9999 (5) and CA(43) at 61.814 48.578 75.968 in (null):G-9999 (6) neighbor-bump: 1.99962 Ang OD1(38) at 63.8987 50.0404 75.0516 in (null):D-9999 (5) and N(42) at 62.252 48.981 74.646 in (null):G-9999 (6) Number of specific fragments= 1 total=1226 # 1icjA.76.76 read from T0147_twice.t2k.frag # found chain 1icjA in template set T0147_twice 76 :IKNVDGEID 1icjA 77 :LLEKSGETG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.8284 Ang OD1(38) at 41.2992 16.6903 68.3603 in (null):D-9999 (5) and CA(43) at 39.436 18.494 67.231 in (null):G-9999 (6) neighbor-bump: 2.17653 Ang OD1(38) at 41.2992 16.6903 68.3603 in (null):D-9999 (5) and N(42) at 40.851 18.315 66.983 in (null):G-9999 (6) other bump:2.58515 Ang CD1(7) at 47.8705 25.5315 66.3088 in (null):I-9999 (1) and CG2(31) at 46.6417 23.2602 66.189 in (null):V-9999 (4) Number of specific fragments= 1 total=1227 # 1bs4A.76.76 read from T0147_twice.t2k.frag # found chain 1bs4A in template set T0147_twice 76 :IKNVDGEID 1bs4A 77 :LLEKSGETG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.31725 Ang CG2(59) at 34.9449 25.3797 69.6033 in (null):I-9999 (8) and N(63) at 33.579 25.613 67.746 in (null):D-9999 (9) neighbor-bump: 2.81664 Ang OD1(38) at 41.3463 16.7181 68.3007 in (null):D-9999 (5) and CA(43) at 39.492 18.511 67.169 in (null):G-9999 (6) neighbor-bump: 2.15757 Ang OD1(38) at 41.3463 16.7181 68.3007 in (null):D-9999 (5) and N(42) at 40.905 18.318 66.922 in (null):G-9999 (6) other bump:2.63138 Ang CD1(7) at 47.902 25.6344 66.1414 in (null):I-9999 (1) and CG2(31) at 46.5447 23.3804 66.1755 in (null):V-9999 (4) Number of specific fragments= 1 total=1228 # 2bnh.76.76 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 76 :IKNVDGEID 2bnh 76 :QSPTCKIQK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20652 Ang OE1(51) at 30.3795 25.6051 13.9121 in (null):E-9999 (7) and O(69) at 28.403 25.797 14.874 in (null):D-9999 (9) other bump:1.71414 Ang O(0) at 36.323 18.954 16.182 in (null):G-9999 (0) and OD2(39) at 35.8979 19.3511 14.5696 in (null):D-9999 (5) other bump:2.35224 Ang C(1) at 35.679 17.931 16.432 in (null):G-9999 (0) and OD2(39) at 35.8979 19.3511 14.5696 in (null):D-9999 (5) Number of specific fragments= 1 total=1229 # 1fnf.77.77 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 77 :KNVDGEIDC 1fnf 1219 :VKDDKESVP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.50015 Ang CG1(22) at 28.7686 -23.1612 68.4475 in (null):V-9999 (3) and N(26) at 26.732 -24.477 67.838 in (null):D-9999 (4) self-bump: 2.47719 Ang CG1(22) at 28.7686 -23.1612 68.4475 in (null):V-9999 (3) and C(25) at 26.638 -23.321 67.194 in (null):V-9999 (3) self-bump: 1.29619 Ang CA(20) at 26.73 -22.049 68.021 in (null):V-9999 (3) and CB(21) at 27.6477 -22.2505 68.914 in (null):V-9999 (3) Number of specific fragments= 1 total=1230 # 1k9jA.77.79 read from T0147_twice.t2k.frag # found chain 1k9jA in training set T0147_twice 77 :KNVDGEIDC 1k9jA 340 :QWVDGSPLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13452 Ang NZ(8) at 1.37458 23.831 49.575 in (null):K-9999 (1) and CG1(50) at 2.34575 20.8559 49.4 in (null):I-9999 (7) Number of specific fragments= 1 total=1231 # 1bsjA.77.77 read from T0147_twice.t2k.frag # found chain 1bsjA in template set T0147_twice 77 :KNVDGEIDC 1bsjA 78 :LEKSGETGI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.20147 Ang O(53) at 54.405 45.954 78.059 in (null):I-9999 (7) and OD2(60) at 53.4285 44.0654 77.4882 in (null):D-9999 (8) neighbor-bump: 2.12742 Ang O(53) at 54.405 45.954 78.059 in (null):I-9999 (7) and CG(58) at 52.5669 44.9444 77.7011 in (null):D-9999 (8) neighbor-bump: 2.35388 Ang CG2(51) at 54.241 49.2962 79.431 in (null):I-9999 (7) and N(55) at 53.559 47.078 79.825 in (null):D-9999 (8) neighbor-bump: 2.70638 Ang OD1(30) at 63.8987 50.0404 75.0516 in (null):D-9999 (4) and CA(35) at 61.814 48.578 75.968 in (null):G-9999 (5) neighbor-bump: 1.99962 Ang OD1(30) at 63.8987 50.0404 75.0516 in (null):D-9999 (4) and N(34) at 62.252 48.981 74.646 in (null):G-9999 (5) Number of specific fragments= 1 total=1232 # 1icjA.77.77 read from T0147_twice.t2k.frag # found chain 1icjA in template set T0147_twice 77 :KNVDGEIDC 1icjA 78 :LEKSGETGI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.8284 Ang OD1(30) at 41.2992 16.6903 68.3603 in (null):D-9999 (4) and CA(35) at 39.436 18.494 67.231 in (null):G-9999 (5) neighbor-bump: 2.17653 Ang OD1(30) at 41.2992 16.6903 68.3603 in (null):D-9999 (4) and N(34) at 40.851 18.315 66.983 in (null):G-9999 (5) Number of specific fragments= 1 total=1233 # 1bs4A.77.77 read from T0147_twice.t2k.frag # found chain 1bs4A in template set T0147_twice 77 :KNVDGEIDC 1bs4A 78 :LEKSGETGI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.31725 Ang CG2(51) at 34.9449 25.3797 69.6033 in (null):I-9999 (7) and N(55) at 33.579 25.613 67.746 in (null):D-9999 (8) neighbor-bump: 2.81664 Ang OD1(30) at 41.3463 16.7181 68.3007 in (null):D-9999 (4) and CA(35) at 39.492 18.511 67.169 in (null):G-9999 (5) neighbor-bump: 2.15757 Ang OD1(30) at 41.3463 16.7181 68.3007 in (null):D-9999 (4) and N(34) at 40.905 18.318 66.922 in (null):G-9999 (5) Number of specific fragments= 1 total=1234 # 2bnh.77.77 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 77 :KNVDGEIDC 2bnh 77 :SPTCKIQKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20652 Ang OE1(43) at 30.3795 25.6051 13.9121 in (null):E-9999 (6) and O(61) at 28.403 25.797 14.874 in (null):D-9999 (8) Number of specific fragments= 1 total=1235 # 1fnf.78.78 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 78 :NVDGEIDCS 1fnf 1220 :KDDKESVPI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.50014 Ang CG1(13) at 28.7686 -23.1612 68.4475 in (null):V-9999 (2) and N(17) at 26.732 -24.477 67.838 in (null):D-9999 (3) self-bump: 2.47719 Ang CG1(13) at 28.7686 -23.1612 68.4475 in (null):V-9999 (2) and C(16) at 26.638 -23.321 67.194 in (null):V-9999 (2) self-bump: 1.29619 Ang CA(11) at 26.73 -22.049 68.021 in (null):V-9999 (2) and CB(12) at 27.6477 -22.2505 68.914 in (null):V-9999 (2) Number of specific fragments= 1 total=1236 # 1k9jA.78.80 read from T0147_twice.t2k.frag # found chain 1k9jA in training set T0147_twice 78 :NVDGEIDCS 1k9jA 341 :WVDGSPLSP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1237 # 1bsjA.78.78 read from T0147_twice.t2k.frag # found chain 1bsjA in template set T0147_twice 78 :NVDGEIDCS 1bsjA 79 :EKSGETGIE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.20147 Ang O(44) at 54.405 45.954 78.059 in (null):I-9999 (6) and OD2(51) at 53.4285 44.0654 77.4882 in (null):D-9999 (7) neighbor-bump: 2.12742 Ang O(44) at 54.405 45.954 78.059 in (null):I-9999 (6) and CG(49) at 52.5669 44.9444 77.7011 in (null):D-9999 (7) neighbor-bump: 2.35388 Ang CG2(42) at 54.241 49.2962 79.431 in (null):I-9999 (6) and N(46) at 53.559 47.078 79.825 in (null):D-9999 (7) neighbor-bump: 2.70638 Ang OD1(21) at 63.8987 50.0404 75.0516 in (null):D-9999 (3) and CA(26) at 61.814 48.578 75.968 in (null):G-9999 (4) neighbor-bump: 1.99962 Ang OD1(21) at 63.8987 50.0404 75.0516 in (null):D-9999 (3) and N(25) at 62.252 48.981 74.646 in (null):G-9999 (4) Number of specific fragments= 1 total=1238 # 1bs4A.78.78 read from T0147_twice.t2k.frag # found chain 1bs4A in template set T0147_twice 78 :NVDGEIDCS 1bs4A 79 :EKSGETGIE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.31725 Ang CG2(42) at 34.9449 25.3797 69.6033 in (null):I-9999 (6) and N(46) at 33.579 25.613 67.746 in (null):D-9999 (7) neighbor-bump: 2.81664 Ang OD1(21) at 41.3463 16.7181 68.3007 in (null):D-9999 (3) and CA(26) at 39.492 18.511 67.169 in (null):G-9999 (4) neighbor-bump: 2.15757 Ang OD1(21) at 41.3463 16.7181 68.3007 in (null):D-9999 (3) and N(25) at 40.905 18.318 66.922 in (null):G-9999 (4) Number of specific fragments= 1 total=1239 # 1icjA.78.78 read from T0147_twice.t2k.frag # found chain 1icjA in template set T0147_twice 78 :NVDGEIDCS 1icjA 79 :EKSGETGIE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.8284 Ang OD1(21) at 41.2992 16.6903 68.3603 in (null):D-9999 (3) and CA(26) at 39.436 18.494 67.231 in (null):G-9999 (4) neighbor-bump: 2.17653 Ang OD1(21) at 41.2992 16.6903 68.3603 in (null):D-9999 (3) and N(25) at 40.851 18.315 66.983 in (null):G-9999 (4) Number of specific fragments= 1 total=1240 # 2bnh.78.78 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 78 :NVDGEIDCS 2bnh 78 :PTCKIQKLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20652 Ang OE1(34) at 30.3795 25.6051 13.9121 in (null):E-9999 (5) and O(52) at 28.403 25.797 14.874 in (null):D-9999 (7) Number of specific fragments= 1 total=1241 # 1fnf.79.79 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 79 :VDGEIDCSG 1fnf 1221 :DDKESVPIS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.50015 Ang CG1(5) at 28.7686 -23.1612 68.4475 in (null):V-9999 (1) and N(9) at 26.732 -24.477 67.838 in (null):D-9999 (2) self-bump: 2.47719 Ang CG1(5) at 28.7686 -23.1612 68.4475 in (null):V-9999 (1) and C(8) at 26.638 -23.321 67.194 in (null):V-9999 (1) self-bump: 1.29619 Ang CA(3) at 26.73 -22.049 68.021 in (null):V-9999 (1) and CB(4) at 27.6477 -22.2505 68.914 in (null):V-9999 (1) Number of specific fragments= 1 total=1242 # 1k9jA.79.81 read from T0147_twice.t2k.frag # found chain 1k9jA in training set T0147_twice 79 :VDGEIDCSG 1k9jA 342 :VDGSPLSPS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1243 # 1bsjA.79.79 read from T0147_twice.t2k.frag # found chain 1bsjA in template set T0147_twice 79 :VDGEIDCSG 1bsjA 80 :KSGETGIEE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.20147 Ang O(36) at 54.405 45.954 78.059 in (null):I-9999 (5) and OD2(43) at 53.4285 44.0654 77.4882 in (null):D-9999 (6) neighbor-bump: 2.12742 Ang O(36) at 54.405 45.954 78.059 in (null):I-9999 (5) and CG(41) at 52.5669 44.9444 77.7011 in (null):D-9999 (6) neighbor-bump: 2.35388 Ang CG2(34) at 54.241 49.2962 79.431 in (null):I-9999 (5) and N(38) at 53.559 47.078 79.825 in (null):D-9999 (6) neighbor-bump: 2.70638 Ang OD1(13) at 63.8987 50.0404 75.0516 in (null):D-9999 (2) and CA(18) at 61.814 48.578 75.968 in (null):G-9999 (3) neighbor-bump: 1.99962 Ang OD1(13) at 63.8987 50.0404 75.0516 in (null):D-9999 (2) and N(17) at 62.252 48.981 74.646 in (null):G-9999 (3) Number of specific fragments= 1 total=1244 # 1bs4A.79.79 read from T0147_twice.t2k.frag # found chain 1bs4A in template set T0147_twice 79 :VDGEIDCSG 1bs4A 80 :KSGETGIEE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.31725 Ang CG2(34) at 34.9449 25.3797 69.6033 in (null):I-9999 (5) and N(38) at 33.579 25.613 67.746 in (null):D-9999 (6) neighbor-bump: 2.81664 Ang OD1(13) at 41.3463 16.7181 68.3007 in (null):D-9999 (2) and CA(18) at 39.492 18.511 67.169 in (null):G-9999 (3) neighbor-bump: 2.15757 Ang OD1(13) at 41.3463 16.7181 68.3007 in (null):D-9999 (2) and N(17) at 40.905 18.318 66.922 in (null):G-9999 (3) Number of specific fragments= 1 total=1245 # 1icjA.79.79 read from T0147_twice.t2k.frag # found chain 1icjA in template set T0147_twice 79 :VDGEIDCSG 1icjA 80 :KSGETGIEE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.8284 Ang OD1(13) at 41.2992 16.6903 68.3603 in (null):D-9999 (2) and CA(18) at 39.436 18.494 67.231 in (null):G-9999 (3) neighbor-bump: 2.17653 Ang OD1(13) at 41.2992 16.6903 68.3603 in (null):D-9999 (2) and N(17) at 40.851 18.315 66.983 in (null):G-9999 (3) Number of specific fragments= 1 total=1246 # 1aun.79.79 read from T0147_twice.t2k.frag # adding 1aun to template set 1aun:# found chain 1aun in template set T0147_twice 79 :VDGEIDCSG 1aun 80 :PNTLAEYAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1247 # 1fnf.80.80 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 80 :DGEIDCSGK 1fnf 1222 :DKESVPISD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1248 # 1k9jA.80.82 read from T0147_twice.t2k.frag # found chain 1k9jA in training set T0147_twice 80 :DGEIDCSGK 1k9jA 343 :DGSPLSPSF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09817 Ang SG(42) at 1.01245 12.456 49.7216 in (null):C-9999 (6) and CG(58) at 1.66341 11.2429 46.9461 in (null):K-9999 (9) Number of specific fragments= 1 total=1249 # 1bsjA.80.80 read from T0147_twice.t2k.frag # found chain 1bsjA in template set T0147_twice 80 :DGEIDCSGK 1bsjA 81 :SGETGIEEG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.20147 Ang O(29) at 54.405 45.954 78.059 in (null):I-9999 (4) and OD2(36) at 53.4285 44.0654 77.4882 in (null):D-9999 (5) neighbor-bump: 2.12742 Ang O(29) at 54.405 45.954 78.059 in (null):I-9999 (4) and CG(34) at 52.5669 44.9444 77.7011 in (null):D-9999 (5) neighbor-bump: 2.35388 Ang CG2(27) at 54.241 49.2962 79.431 in (null):I-9999 (4) and N(31) at 53.559 47.078 79.825 in (null):D-9999 (5) neighbor-bump: 2.70637 Ang OD1(6) at 63.8987 50.0404 75.0516 in (null):D-9999 (1) and CA(11) at 61.814 48.578 75.968 in (null):G-9999 (2) neighbor-bump: 1.99961 Ang OD1(6) at 63.8987 50.0404 75.0516 in (null):D-9999 (1) and N(10) at 62.252 48.981 74.646 in (null):G-9999 (2) Number of specific fragments= 1 total=1250 # 1bs4A.80.80 read from T0147_twice.t2k.frag # found chain 1bs4A in template set T0147_twice 80 :DGEIDCSGK 1bs4A 81 :SGETGIEEG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.31725 Ang CG2(27) at 34.9449 25.3797 69.6033 in (null):I-9999 (4) and N(31) at 33.579 25.613 67.746 in (null):D-9999 (5) neighbor-bump: 2.81664 Ang OD1(6) at 41.3463 16.7181 68.3007 in (null):D-9999 (1) and CA(11) at 39.492 18.511 67.169 in (null):G-9999 (2) neighbor-bump: 2.15757 Ang OD1(6) at 41.3463 16.7181 68.3007 in (null):D-9999 (1) and N(10) at 40.905 18.318 66.922 in (null):G-9999 (2) Number of specific fragments= 1 total=1251 # 1icjA.80.80 read from T0147_twice.t2k.frag # found chain 1icjA in template set T0147_twice 80 :DGEIDCSGK 1icjA 81 :SGETGIEEG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.8284 Ang OD1(6) at 41.2992 16.6903 68.3603 in (null):D-9999 (1) and CA(11) at 39.436 18.494 67.231 in (null):G-9999 (2) neighbor-bump: 2.17653 Ang OD1(6) at 41.2992 16.6903 68.3603 in (null):D-9999 (1) and N(10) at 40.851 18.315 66.983 in (null):G-9999 (2) Number of specific fragments= 1 total=1252 # 1e20A.80.83 read from T0147_twice.t2k.frag # adding 1e20A to template set 1e20A:# found chain 1e20A in template set T0147_twice 80 :DGEIDCSGK 1e20A 84 :IGDPVLHIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1253 # 1fnf.81.81 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 81 :GEIDCSGKM 1fnf 1223 :KESVPISDT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1254 # 1k9jA.81.83 read from T0147_twice.t2k.frag # found chain 1k9jA in training set T0147_twice 81 :GEIDCSGKM 1k9jA 344 :GSPLSPSFQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.18744 Ang SG(34) at 1.01245 12.456 49.7216 in (null):C-9999 (5) and CD(51) at 0.591084 12.5728 46.5643 in (null):K-9999 (8) other bump:2.76643 Ang SG(34) at 1.01245 12.456 49.7216 in (null):C-9999 (5) and CG(50) at 1.60265 11.5794 47.1649 in (null):K-9999 (8) Number of specific fragments= 1 total=1255 # 1bsjA.81.81 read from T0147_twice.t2k.frag # found chain 1bsjA in template set T0147_twice 81 :GEIDCSGKM 1bsjA 82 :GETGIEEGC Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.20147 Ang O(21) at 54.405 45.954 78.059 in (null):I-9999 (3) and OD2(28) at 53.4285 44.0654 77.4882 in (null):D-9999 (4) neighbor-bump: 2.12742 Ang O(21) at 54.405 45.954 78.059 in (null):I-9999 (3) and CG(26) at 52.5669 44.9444 77.7011 in (null):D-9999 (4) neighbor-bump: 2.35388 Ang CG2(19) at 54.241 49.2962 79.431 in (null):I-9999 (3) and N(23) at 53.559 47.078 79.825 in (null):D-9999 (4) Number of specific fragments= 1 total=1256 # 1bs4A.81.81 read from T0147_twice.t2k.frag # found chain 1bs4A in template set T0147_twice 81 :GEIDCSGKM 1bs4A 82 :GETGIEEGC Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.31725 Ang CG2(19) at 34.9449 25.3797 69.6033 in (null):I-9999 (3) and N(23) at 33.579 25.613 67.746 in (null):D-9999 (4) Number of specific fragments= 1 total=1257 # 1icjA.81.81 read from T0147_twice.t2k.frag # found chain 1icjA in template set T0147_twice 81 :GEIDCSGKM 1icjA 82 :GETGIEEGC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1258 # 1e20A.81.84 read from T0147_twice.t2k.frag # found chain 1e20A in template set T0147_twice 81 :GEIDCSGKM 1e20A 85 :GDPVLHIEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1259 # 1fnf.82.82 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 82 :EIDCSGKMF 1fnf 1224 :ESVPISDTI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1260 # 1bsjA.82.82 read from T0147_twice.t2k.frag # found chain 1bsjA in template set T0147_twice 82 :EIDCSGKMF 1bsjA 83 :ETGIEEGCL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.20147 Ang O(17) at 54.405 45.954 78.059 in (null):I-9999 (2) and OD2(24) at 53.4285 44.0654 77.4882 in (null):D-9999 (3) neighbor-bump: 2.12742 Ang O(17) at 54.405 45.954 78.059 in (null):I-9999 (2) and CG(22) at 52.5669 44.9444 77.7011 in (null):D-9999 (3) neighbor-bump: 2.35388 Ang CG2(15) at 54.241 49.2962 79.431 in (null):I-9999 (2) and N(19) at 53.559 47.078 79.825 in (null):D-9999 (3) Number of specific fragments= 1 total=1261 # 1bs4A.82.82 read from T0147_twice.t2k.frag # found chain 1bs4A in template set T0147_twice 82 :EIDCSGKMF 1bs4A 83 :ETGIEEGCL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42315 Ang O(50) at 36.153 38.461 68.753 in (null):K-9999 (7) and CG(55) at 37.5173 39.2725 66.9222 in (null):M-9999 (8) neighbor-bump: 2.31725 Ang CG2(15) at 34.9449 25.3797 69.6033 in (null):I-9999 (2) and N(19) at 33.579 25.613 67.746 in (null):D-9999 (3) Number of specific fragments= 1 total=1262 # 1icjA.82.82 read from T0147_twice.t2k.frag # found chain 1icjA in template set T0147_twice 82 :EIDCSGKMF 1icjA 83 :ETGIEEGCL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.49238 Ang O(50) at 36.141 38.498 68.799 in (null):K-9999 (7) and CG(55) at 37.4902 39.3768 66.8966 in (null):M-9999 (8) Number of specific fragments= 1 total=1263 # 1k9jA.82.84 read from T0147_twice.t2k.frag # found chain 1k9jA in training set T0147_twice 82 :EIDCSGKMF 1k9jA 345 :SPLSPSFQR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32221 Ang O(41) at 4.95 9.022 49.19 in (null):G-9999 (6) and CE2(67) at 4.69433 6.94228 48.189 in (null):F-9999 (9) other bump:2.12499 Ang O(41) at 4.95 9.022 49.19 in (null):G-9999 (6) and CD2(65) at 6.00328 7.35955 48.3885 in (null):F-9999 (9) other bump:3.18744 Ang SG(30) at 1.01245 12.456 49.7216 in (null):C-9999 (4) and CD(47) at 0.591084 12.5728 46.5643 in (null):K-9999 (7) other bump:2.76642 Ang SG(30) at 1.01245 12.456 49.7216 in (null):C-9999 (4) and CG(46) at 1.60265 11.5794 47.1649 in (null):K-9999 (7) Number of specific fragments= 1 total=1264 # 1aun.82.82 read from T0147_twice.t2k.frag # found chain 1aun in template set T0147_twice 82 :EIDCSGKMF 1aun 83 :LAEYALNQF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.24557 Ang CB(35) at 33.447 12.7552 14.9145 in (null):S-9999 (5) and CE(57) at 35.0767 11.9236 16.2165 in (null):M-9999 (8) Number of specific fragments= 1 total=1265 # 1bsjA.83.83 read from T0147_twice.t2k.frag # found chain 1bsjA in template set T0147_twice 83 :IDCSGKMFD 1bsjA 84 :TGIEEGCLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.20146 Ang O(8) at 54.405 45.954 78.059 in (null):I-9999 (1) and OD2(15) at 53.4285 44.0654 77.4882 in (null):D-9999 (2) neighbor-bump: 2.12742 Ang O(8) at 54.405 45.954 78.059 in (null):I-9999 (1) and CG(13) at 52.5669 44.9444 77.7011 in (null):D-9999 (2) Number of specific fragments= 1 total=1266 # 1fnf.83.83 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 83 :IDCSGKMFD 1fnf 1225 :SVPISDTII Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00662 Ang CE2(58) at 14.7343 -17.7021 40.6405 in (null):F-9999 (8) and CA(71) at 15.704 -18.702 37.976 in (null):G-9999 (10) Number of specific fragments= 1 total=1267 # 1bs4A.83.83 read from T0147_twice.t2k.frag # found chain 1bs4A in template set T0147_twice 83 :IDCSGKMFD 1bs4A 84 :TGIEEGCLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42315 Ang O(41) at 36.153 38.461 68.753 in (null):K-9999 (6) and CG(46) at 37.5173 39.2725 66.9222 in (null):M-9999 (7) Number of specific fragments= 1 total=1268 # 1icjA.83.83 read from T0147_twice.t2k.frag # found chain 1icjA in template set T0147_twice 83 :IDCSGKMFD 1icjA 84 :TGIEEGCLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.49238 Ang O(41) at 36.141 38.498 68.799 in (null):K-9999 (6) and CG(46) at 37.4902 39.3768 66.8966 in (null):M-9999 (7) Number of specific fragments= 1 total=1269 # 1aun.83.83 read from T0147_twice.t2k.frag # found chain 1aun in template set T0147_twice 83 :IDCSGKMFD 1aun 84 :AEYALNQFS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42966 Ang CE2(58) at 36.018 2.31 23.412 in (null):F-9999 (8) and OD2(67) at 34.9482 0.78429 21.8529 in (null):D-9999 (9) neighbor-bump: 2.97044 Ang CE2(58) at 36.018 2.31 23.412 in (null):F-9999 (8) and CG(65) at 35.844 0.606274 20.985 in (null):D-9999 (9) other bump:2.24557 Ang CB(26) at 33.447 12.7552 14.9145 in (null):S-9999 (4) and CE(48) at 35.0767 11.9236 16.2165 in (null):M-9999 (7) Number of specific fragments= 1 total=1270 # 1e20A.83.86 read from T0147_twice.t2k.frag # found chain 1e20A in template set T0147_twice 83 :IDCSGKMFD 1e20A 87 :PVLHIELRR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1271 # 1fnf.84.84 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 84 :DCSGKMFDS 1fnf 1226 :VPISDTIIP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00662 Ang CE2(50) at 14.7343 -17.7021 40.6405 in (null):F-9999 (7) and CA(63) at 15.704 -18.702 37.976 in (null):S-9999 (9) Number of specific fragments= 1 total=1272 # 1aun.84.84 read from T0147_twice.t2k.frag # found chain 1aun in template set T0147_twice 84 :DCSGKMFDS 1aun 85 :EYALNQFSN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26793 Ang O(52) at 35.181 3.913 18.525 in (null):F-9999 (7) and CG(57) at 34.1014 2.02534 19.1689 in (null):D-9999 (8) neighbor-bump: 2.85498 Ang C(53) at 36.244 3.912 19.144 in (null):F-9999 (7) and CG(57) at 34.1014 2.02534 19.1689 in (null):D-9999 (8) other bump:2.24557 Ang CB(18) at 33.447 12.7552 14.9145 in (null):S-9999 (3) and CE(40) at 35.0767 11.9236 16.2165 in (null):M-9999 (6) Number of specific fragments= 1 total=1273 # 1bsjA.84.84 read from T0147_twice.t2k.frag # found chain 1bsjA in template set T0147_twice 84 :DCSGKMFDS 1bsjA 85 :GIEEGCLSI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.18083 Ang OD1(6) at 49.9932 44.8969 80.3002 in (null):D-9999 (1) and N(10) at 49.956 47.077 80.341 in (null):C-9999 (2) Number of specific fragments= 1 total=1274 # 1e20A.84.87 read from T0147_twice.t2k.frag # found chain 1e20A in template set T0147_twice 84 :DCSGKMFDS 1e20A 88 :VLHIELRRW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1275 # 1qrdA.84.84 read from T0147_twice.t2k.frag # adding 1qrdA to template set 1qrdA:# found chain 1qrdA in template set T0147_twice 84 :DCSGKMFDS 1qrdA 85 :VAEQKKLEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1276 # 1bs4A.84.84 read from T0147_twice.t2k.frag # found chain 1bs4A in template set T0147_twice 84 :DCSGKMFDS 1bs4A 85 :GIEEGCLSI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42315 Ang O(33) at 36.153 38.461 68.753 in (null):K-9999 (5) and CG(38) at 37.5173 39.2725 66.9222 in (null):M-9999 (6) Number of specific fragments= 1 total=1277 # 1aun.85.85 read from T0147_twice.t2k.frag # found chain 1aun in template set T0147_twice 85 :CSGKMFDSL 1aun 86 :YALNQFSNL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26793 Ang O(44) at 35.181 3.913 18.525 in (null):F-9999 (6) and CG(49) at 34.1014 2.02534 19.1689 in (null):D-9999 (7) neighbor-bump: 2.85498 Ang C(45) at 36.244 3.912 19.144 in (null):F-9999 (6) and CG(49) at 34.1014 2.02534 19.1689 in (null):D-9999 (7) other bump:2.24557 Ang CB(10) at 33.447 12.7552 14.9145 in (null):S-9999 (2) and CE(32) at 35.0767 11.9236 16.2165 in (null):M-9999 (5) Number of specific fragments= 1 total=1278 # 1fnf.85.85 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 85 :CSGKMFDSL 1fnf 1227 :PISDTIIPA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00662 Ang CE2(42) at 14.7343 -17.7021 40.6405 in (null):F-9999 (6) and CA(55) at 15.704 -18.702 37.976 in (null):S-9999 (8) Number of specific fragments= 1 total=1279 # 1qrdA.85.85 read from T0147_twice.t2k.frag # found chain 1qrdA in template set T0147_twice 85 :CSGKMFDSL 1qrdA 86 :AEQKKLEAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1280 # 1e20A.85.88 read from T0147_twice.t2k.frag # found chain 1e20A in template set T0147_twice 85 :CSGKMFDSL 1e20A 89 :LHIELRRWA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1281 # 1bsjA.85.85 read from T0147_twice.t2k.frag # found chain 1bsjA in template set T0147_twice 85 :CSGKMFDSL 1bsjA 86 :IEEGCLSIP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1282 # 1ds9A.85.86 read from T0147_twice.t2k.frag # adding 1ds9A to template set 1ds9A:# found chain 1ds9A in template set T0147_twice 85 :CSGKMFDSL 1ds9A 87 :NLDAVADTL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1283 # 1qrdA.86.86 read from T0147_twice.t2k.frag # found chain 1qrdA in template set T0147_twice 86 :SGKMFDSLD 1qrdA 87 :EQKKLEAAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1284 # 1aun.86.86 read from T0147_twice.t2k.frag # found chain 1aun in template set T0147_twice 86 :SGKMFDSLD 1aun 87 :ALNQFSNLD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26793 Ang O(38) at 35.181 3.913 18.525 in (null):F-9999 (5) and CG(43) at 34.1014 2.02534 19.1689 in (null):D-9999 (6) neighbor-bump: 2.85498 Ang C(39) at 36.244 3.912 19.144 in (null):F-9999 (5) and CG(43) at 34.1014 2.02534 19.1689 in (null):D-9999 (6) other bump:2.31663 Ang CB(4) at 33.3143 12.6645 14.9081 in (null):S-9999 (1) and CE(26) at 35.0767 11.9236 16.2165 in (null):M-9999 (4) other bump:1.4967 Ang OG(5) at 34.6586 12.997 15.2609 in (null):S-9999 (1) and CE(26) at 35.0767 11.9236 16.2165 in (null):M-9999 (4) other bump:3.26966 Ang OG(5) at 34.6586 12.997 15.2609 in (null):S-9999 (1) and SD(25) at 35.2744 10.6523 17.4549 in (null):M-9999 (4) Number of specific fragments= 1 total=1285 # 1e20A.86.89 read from T0147_twice.t2k.frag # found chain 1e20A in template set T0147_twice 86 :SGKMFDSLD 1e20A 90 :HIELRRWAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1286 # 1ds9A.86.87 read from T0147_twice.t2k.frag # found chain 1ds9A in template set T0147_twice 86 :SGKMFDSLD 1ds9A 88 :LDAVADTLE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39956 Ang CA(63) at -3.157 9.536 -1.169 in (null):D-9999 (9) and CB(64) at -3.46101 10.9019 -1.19239 in (null):D-9999 (9) Number of specific fragments= 1 total=1287 # 1d4aA.86.86 read from T0147_twice.t2k.frag # adding 1d4aA to template set 1d4aA:# found chain 1d4aA in template set T0147_twice 86 :SGKMFDSLD 1d4aA 87 :EQKKLEAAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1288 # 1hnnA.86.86 read from T0147_twice.t2k.frag # adding 1hnnA to template set 1hnnA:Skipped atom 208, because occupancy 0.5 <= existing 0.500001 Skipped atom 210, because occupancy 0.5 <= existing 0.500001 Skipped atom 212, because occupancy 0.5 <= existing 0.500001 Skipped atom 214, because occupancy 0.5 <= existing 0.500001 Skipped atom 216, because occupancy 0.5 <= existing 0.500001 Skipped atom 218, because occupancy 0.5 <= existing 0.500001 Skipped atom 220, because occupancy 0.5 <= existing 0.500001 Skipped atom 222, because occupancy 0.5 <= existing 0.500001 Skipped atom 224, because occupancy 0.5 <= existing 0.500001 Skipped atom 226, because occupancy 0.5 <= existing 0.500001 Skipped atom 228, because occupancy 0.5 <= existing 0.500001 Skipped atom 230, because occupancy 0.5 <= existing 0.500001 Skipped atom 232, because occupancy 0.5 <= existing 0.500001 Skipped atom 234, because occupancy 0.5 <= existing 0.500001 Skipped atom 542, because occupancy 0.5 <= existing 0.500001 Skipped atom 544, because occupancy 0.5 <= existing 0.500001 Skipped atom 546, because occupancy 0.5 <= existing 0.500001 Skipped atom 548, because occupancy 0.5 <= existing 0.500001 Skipped atom 550, because occupancy 0.5 <= existing 0.500001 Skipped atom 552, because occupancy 0.5 <= existing 0.500001 Skipped atom 829, because occupancy 0.5 <= existing 0.500001 Skipped atom 831, because occupancy 0.5 <= existing 0.500001 Skipped atom 833, because occupancy 0.5 <= existing 0.500001 Skipped atom 835, because occupancy 0.5 <= existing 0.500001 Skipped atom 837, because occupancy 0.5 <= existing 0.500001 Skipped atom 839, because occupancy 0.5 <= existing 0.500001 Skipped atom 841, because occupancy 0.5 <= existing 0.500001 Skipped atom 843, because occupancy 0.5 <= existing 0.500001 Skipped atom 872, because occupancy 0.5 <= existing 0.500001 Skipped atom 874, because occupancy 0.5 <= existing 0.500001 Skipped atom 876, because occupancy 0.5 <= existing 0.500001 Skipped atom 878, because occupancy 0.5 <= existing 0.500001 Skipped atom 880, because occupancy 0.5 <= existing 0.500001 Skipped atom 882, because occupancy 0.5 <= existing 0.500001 Skipped atom 884, because occupancy 0.5 <= existing 0.500001 Skipped atom 886, because occupancy 0.5 <= existing 0.500001 Skipped atom 888, because occupancy 0.5 <= existing 0.500001 Skipped atom 890, because occupancy 0.5 <= existing 0.500001 Skipped atom 1879, because occupancy 0.5 <= existing 0.500001 Skipped atom 1881, because occupancy 0.5 <= existing 0.500001 Skipped atom 1883, because occupancy 0.5 <= existing 0.500001 Skipped atom 1885, because occupancy 0.5 <= existing 0.500001 Skipped atom 1887, because occupancy 0.5 <= existing 0.500001 Skipped atom 1889, because occupancy 0.5 <= existing 0.500001 Skipped atom 1891, because occupancy 0.5 <= existing 0.500001 Skipped atom 1893, because occupancy 0.5 <= existing 0.500001 Skipped atom 1895, because occupancy 0.5 <= existing 0.500001 Skipped atom 1897, because occupancy 0.5 <= existing 0.500001 # found chain 1hnnA in template set T0147_twice 86 :SGKMFDSLD 1hnnA 87 :LLSACSHFE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.93916 Ang CB(4) at 22.3239 58.2633 11.3895 in (null):S-9999 (1) and CZ(37) at 22.9966 60.7889 10.0451 in (null):F-9999 (5) other bump:2.95112 Ang CB(4) at 22.3239 58.2633 11.3895 in (null):S-9999 (1) and CE1(35) at 21.7737 61.0652 10.644 in (null):F-9999 (5) Number of specific fragments= 1 total=1289 # 1qrdA.87.87 read from T0147_twice.t2k.frag # found chain 1qrdA in template set T0147_twice 87 :GKMFDSLDL 1qrdA 88 :QKKLEAADL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1290 # 1d4aA.87.87 read from T0147_twice.t2k.frag # found chain 1d4aA in template set T0147_twice 87 :GKMFDSLDL 1d4aA 88 :QKKLEAADL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1291 # 1k5hA.87.87 read from T0147_twice.t2k.frag # adding 1k5hA to template set 1k5hA:# found chain 1k5hA in template set T0147_twice 87 :GKMFDSLDL 1k5hA 88 :MAALEDVDQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49091 Ang O(4) at 69.977 64.846 78.527 in (null):G-9999 (1) and CD1(52) at 70.068 64.4856 80.99 in (null):L-9999 (7) other bump:2.79413 Ang CA(3) at 71.012 64.92 76.356 in (null):G-9999 (1) and CE2(30) at 72.8004 62.879 77.0217 in (null):F-9999 (4) other bump:3.09545 Ang CA(3) at 71.012 64.92 76.356 in (null):G-9999 (1) and CD2(28) at 72.0351 62.5955 78.1256 in (null):F-9999 (4) Number of specific fragments= 1 total=1292 # 1aun.87.87 read from T0147_twice.t2k.frag # found chain 1aun in template set T0147_twice 87 :GKMFDSLDL 1aun 88 :LNQFSNLDF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26793 Ang O(32) at 35.181 3.913 18.525 in (null):F-9999 (4) and CG(37) at 34.1014 2.02534 19.1689 in (null):D-9999 (5) neighbor-bump: 2.85498 Ang C(33) at 36.244 3.912 19.144 in (null):F-9999 (4) and CG(37) at 34.1014 2.02534 19.1689 in (null):D-9999 (5) Number of specific fragments= 1 total=1293 # 1e20A.87.90 read from T0147_twice.t2k.frag # found chain 1e20A in template set T0147_twice 87 :GKMFDSLDL 1e20A 91 :IELRRWADV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1294 # 1dtdA.87.89 read from T0147_twice.t2k.frag # adding 1dtdA to template set 1dtdA:# found chain 1dtdA in template set T0147_twice 87 :GKMFDSLDL 1dtdA 452 :TSILDALDI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.85415 Ang CE2(30) at 47.7506 17.4425 -4.63179 in (null):F-9999 (4) and CD1(68) at 46.6174 19.6983 -3.30006 in (null):L-9999 (9) other bump:3.02225 Ang CZ(31) at 48.7164 17.5497 -3.63485 in (null):F-9999 (4) and CD1(68) at 46.6174 19.6983 -3.30006 in (null):L-9999 (9) Number of specific fragments= 1 total=1295 # 1qrdA.88.88 read from T0147_twice.t2k.frag # found chain 1qrdA in template set T0147_twice 88 :KMFDSLDLI 1qrdA 89 :KKLEAADLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1296 # 1d4aA.88.88 read from T0147_twice.t2k.frag # found chain 1d4aA in template set T0147_twice 88 :KMFDSLDLI 1d4aA 89 :KKLEAADLV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78673 Ang CE2(26) at -1.14536 3.49853 -7.7188 in (null):F-9999 (3) and CD1(73) at -1.61163 0.817103 -7.12012 in (null):I-9999 (9) Number of specific fragments= 1 total=1297 # 1k5hA.88.88 read from T0147_twice.t2k.frag # found chain 1k5hA in template set T0147_twice 88 :KMFDSLDLI 1k5hA 89 :AALEDVDQV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49091 Ang O(0) at 69.977 64.846 78.527 in (null):G-9999 (0) and CD1(48) at 70.068 64.4856 80.99 in (null):L-9999 (6) Number of specific fragments= 1 total=1298 # 1aun.88.88 read from T0147_twice.t2k.frag # found chain 1aun in template set T0147_twice 88 :KMFDSLDLI 1aun 89 :NQFSNLDFW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26793 Ang O(28) at 35.181 3.913 18.525 in (null):F-9999 (3) and CG(33) at 34.1014 2.02534 19.1689 in (null):D-9999 (4) neighbor-bump: 2.85498 Ang C(29) at 36.244 3.912 19.144 in (null):F-9999 (3) and CG(33) at 34.1014 2.02534 19.1689 in (null):D-9999 (4) Number of specific fragments= 1 total=1299 # 1e20A.88.91 read from T0147_twice.t2k.frag # found chain 1e20A in template set T0147_twice 88 :KMFDSLDLI 1e20A 92 :ELRRWADVL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.19474 Ang O(58) at 41.535 10.633 -8.691 in (null):D-9999 (7) and CD1(64) at 42.9768 9.32552 -7.67676 in (null):L-9999 (8) Number of specific fragments= 1 total=1300 # 1kbqA.88.88 read from T0147_twice.t2k.frag # adding 1kbqA to template set 1kbqA:# found chain 1kbqA in template set T0147_twice 88 :KMFDSLDLI 1kbqA 89 :KKLEAADLV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.96533 Ang CD2(24) at 12.0239 23.0359 6.70567 in (null):F-9999 (3) and CD1(73) at 12.7457 20.3275 7.67361 in (null):I-9999 (9) other bump:2.51539 Ang CE2(26) at 13.287 22.7427 7.22568 in (null):F-9999 (3) and CD1(73) at 12.7457 20.3275 7.67361 in (null):I-9999 (9) Number of specific fragments= 1 total=1301 # 1qrdA.89.89 read from T0147_twice.t2k.frag # found chain 1qrdA in template set T0147_twice 89 :MFDSLDLII 1qrdA 90 :KLEAADLVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1302 # 1d4aA.89.89 read from T0147_twice.t2k.frag # found chain 1d4aA in template set T0147_twice 89 :MFDSLDLII 1d4aA 90 :KLEAADLVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1303 # 1k5hA.89.89 read from T0147_twice.t2k.frag # found chain 1k5hA in template set T0147_twice 89 :MFDSLDLII 1k5hA 90 :ALEDVDQVM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1304 # 1e20A.89.92 read from T0147_twice.t2k.frag # found chain 1e20A in template set T0147_twice 89 :MFDSLDLII 1e20A 93 :LRRWADVLV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.19474 Ang O(49) at 41.535 10.633 -8.691 in (null):D-9999 (6) and CD1(55) at 42.9768 9.32552 -7.67676 in (null):L-9999 (7) Number of specific fragments= 1 total=1305 # 1aun.89.89 read from T0147_twice.t2k.frag # found chain 1aun in template set T0147_twice 89 :MFDSLDLII 1aun 90 :QFSNLDFWD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.50016 Ang O(65) at 25.209 9.91 13.348 in (null):I-9999 (8) and CG2(71) at 24.0584 11.3549 15.033 in (null):I-9999 (9) neighbor-bump: 2.9183 Ang C(66) at 25.821 10.822 12.769 in (null):I-9999 (8) and CG2(71) at 24.0584 11.3549 15.033 in (null):I-9999 (9) neighbor-bump: 2.26793 Ang O(19) at 35.181 3.913 18.525 in (null):F-9999 (2) and CG(24) at 34.1014 2.02534 19.1689 in (null):D-9999 (3) neighbor-bump: 2.85498 Ang C(20) at 36.244 3.912 19.144 in (null):F-9999 (2) and CG(24) at 34.1014 2.02534 19.1689 in (null):D-9999 (3) Number of specific fragments= 1 total=1306 # 1kbqA.89.89 read from T0147_twice.t2k.frag # found chain 1kbqA in template set T0147_twice 89 :MFDSLDLII 1kbqA 90 :KLEAADLVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1307 # 1qrdA.90.90 read from T0147_twice.t2k.frag # found chain 1qrdA in template set T0147_twice 90 :FDSLDLIIA 1qrdA 91 :LEAADLVIF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1308 # 1d4aA.90.90 read from T0147_twice.t2k.frag # found chain 1d4aA in template set T0147_twice 90 :FDSLDLIIA 1d4aA 91 :LEAADLVIF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1309 # 1k5hA.90.90 read from T0147_twice.t2k.frag # found chain 1k5hA in template set T0147_twice 90 :FDSLDLIIA 1k5hA 91 :LEDVDQVMA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1310 # 1e20A.90.93 read from T0147_twice.t2k.frag # found chain 1e20A in template set T0147_twice 90 :FDSLDLIIA 1e20A 94 :RRWADVLVI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.19474 Ang O(41) at 41.535 10.633 -8.691 in (null):D-9999 (5) and CD1(47) at 42.9768 9.32552 -7.67676 in (null):L-9999 (6) Number of specific fragments= 1 total=1311 # 1f0xA.90.90 read from T0147_twice.t2k.frag # adding 1f0xA to template set 1f0xA:# found chain 1f0xA in template set T0147_twice 90 :FDSLDLIIA 1f0xA 91 :DYDRDVVII Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47244 Ang OD2(18) at 49.6822 19.8108 50.9861 in (null):D-9999 (2) and CD2(48) at 50.9478 21.6647 49.9498 in (null):L-9999 (6) other bump:2.43417 Ang OD2(18) at 49.6822 19.8108 50.9861 in (null):D-9999 (2) and CD1(47) at 49.4728 22.0433 51.9335 in (null):L-9999 (6) other bump:2.78136 Ang OD2(18) at 49.6822 19.8108 50.9861 in (null):D-9999 (2) and CG(46) at 50.8226 22.3287 51.2954 in (null):L-9999 (6) Number of specific fragments= 1 total=1312 # 1kbqA.90.90 read from T0147_twice.t2k.frag # found chain 1kbqA in template set T0147_twice 90 :FDSLDLIIA 1kbqA 91 :LEAADLVIF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1313 # 1qrdA.91.91 read from T0147_twice.t2k.frag # found chain 1qrdA in template set T0147_twice 91 :DSLDLIIAG 1qrdA 92 :EAADLVIFQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1314 # 1k5hA.91.91 read from T0147_twice.t2k.frag # found chain 1k5hA in template set T0147_twice 91 :DSLDLIIAG 1k5hA 92 :EDVDQVMAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1315 # 1d4aA.91.91 read from T0147_twice.t2k.frag # found chain 1d4aA in template set T0147_twice 91 :DSLDLIIAG 1d4aA 92 :EAADLVIFQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1316 # 1f0xA.91.91 read from T0147_twice.t2k.frag # found chain 1f0xA in template set T0147_twice 91 :DSLDLIIAG 1f0xA 92 :YDRDVVIIS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47722 Ang OD2(7) at 49.1615 19.6081 51.6025 in (null):D-9999 (1) and CD1(36) at 49.4728 22.0433 51.9335 in (null):L-9999 (5) Number of specific fragments= 1 total=1317 # 1e20A.91.94 read from T0147_twice.t2k.frag # found chain 1e20A in template set T0147_twice 91 :DSLDLIIAG 1e20A 95 :RWADVLVIA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.19474 Ang O(30) at 41.535 10.633 -8.691 in (null):D-9999 (4) and CD1(36) at 42.9768 9.32552 -7.67676 in (null):L-9999 (5) Number of specific fragments= 1 total=1318 # 1yasA.91.92 read from T0147_twice.t2k.frag # found chain 1yasA in template set T0147_twice 91 :DSLDLIIAG 1yasA 93 :YCEKIAAAV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.52463 Ang O(46) at 16.936 28.109 14.691 in (null):I-9999 (6) and CG2(52) at 18.9304 29.5129 15.343 in (null):I-9999 (7) Number of specific fragments= 1 total=1319 # 1qrdA.92.92 read from T0147_twice.t2k.frag # found chain 1qrdA in template set T0147_twice 92 :SLDLIIAGF 1qrdA 93 :AADLVIFQF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1320 # 1k5hA.92.92 read from T0147_twice.t2k.frag # found chain 1k5hA in template set T0147_twice 92 :SLDLIIAGF 1k5hA 93 :DVDQVMAAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1321 # 1d4aA.92.92 read from T0147_twice.t2k.frag # found chain 1d4aA in template set T0147_twice 92 :SLDLIIAGF 1d4aA 93 :AADLVIFQF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1322 # 1yasA.92.93 read from T0147_twice.t2k.frag # found chain 1yasA in template set T0147_twice 92 :SLDLIIAGF 1yasA 94 :CEKIAAAVF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.52463 Ang O(38) at 16.936 28.109 14.691 in (null):I-9999 (5) and CG2(44) at 18.9304 29.5129 15.343 in (null):I-9999 (6) Number of specific fragments= 1 total=1323 # 1qj4A.92.93 read from T0147_twice.t2k.frag # found chain 1qj4A in template set T0147_twice 92 :SLDLIIAGF 1qj4A 94 :CEKIAAAVF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48934 Ang O(38) at 16.904 27.108 14.789 in (null):I-9999 (5) and CG2(44) at 18.8757 28.4522 15.4979 in (null):I-9999 (6) Number of specific fragments= 1 total=1324 # 1f0xA.92.92 read from T0147_twice.t2k.frag # found chain 1f0xA in template set T0147_twice 92 :SLDLIIAGF 1f0xA 93 :DRDVVIIST Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1325 # 1qrdA.93.93 read from T0147_twice.t2k.frag # found chain 1qrdA in template set T0147_twice 93 :LDLIIAGFH 1qrdA 94 :ADLVIFQFP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1326 # 1yasA.93.94 read from T0147_twice.t2k.frag # found chain 1yasA in template set T0147_twice 93 :LDLIIAGFH 1yasA 95 :EKIAAAVFH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.52463 Ang O(32) at 16.936 28.109 14.691 in (null):I-9999 (4) and CG2(38) at 18.9304 29.5129 15.343 in (null):I-9999 (5) Number of specific fragments= 1 total=1327 # 1k5hA.93.93 read from T0147_twice.t2k.frag # found chain 1k5hA in template set T0147_twice 93 :LDLIIAGFH 1k5hA 94 :VDQVMAAIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1328 # 1qj4A.93.94 read from T0147_twice.t2k.frag # found chain 1qj4A in template set T0147_twice 93 :LDLIIAGFH 1qj4A 95 :EKIAAAVFH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48934 Ang O(32) at 16.904 27.108 14.789 in (null):I-9999 (4) and CG2(38) at 18.8757 28.4522 15.4979 in (null):I-9999 (5) Number of specific fragments= 1 total=1329 # 1d4aA.93.93 read from T0147_twice.t2k.frag # found chain 1d4aA in template set T0147_twice 93 :LDLIIAGFH 1d4aA 94 :ADLVIFQFP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1330 # 1f0xA.93.93 read from T0147_twice.t2k.frag # found chain 1f0xA in template set T0147_twice 93 :LDLIIAGFH 1f0xA 94 :RDVVIISTL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1331 # 1yasA.94.95 read from T0147_twice.t2k.frag # found chain 1yasA in template set T0147_twice 94 :DLIIAGFHE 1yasA 96 :KIAAAVFHN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.52463 Ang O(24) at 16.936 28.109 14.691 in (null):I-9999 (3) and CG2(30) at 18.9304 29.5129 15.343 in (null):I-9999 (4) Number of specific fragments= 1 total=1332 # 1qj4A.94.95 read from T0147_twice.t2k.frag # found chain 1qj4A in template set T0147_twice 94 :DLIIAGFHE 1qj4A 96 :KIAAAVFHN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48934 Ang O(24) at 16.904 27.108 14.789 in (null):I-9999 (3) and CG2(30) at 18.8757 28.4522 15.4979 in (null):I-9999 (4) Number of specific fragments= 1 total=1333 # 1qrdA.94.94 read from T0147_twice.t2k.frag # found chain 1qrdA in template set T0147_twice 94 :DLIIAGFHE 1qrdA 95 :DLVIFQFPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1334 # 1k5hA.94.94 read from T0147_twice.t2k.frag # found chain 1k5hA in template set T0147_twice 94 :DLIIAGFHE 1k5hA 95 :DQVMAAIVG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.69232 Ang O(62) at 65.499 79.78 71.203 in (null):H-9999 (8) and CG(67) at 65.68 79.8549 69.5221 in (null):E-9999 (9) neighbor-bump: 2.62326 Ang C(63) at 64.525 80.132 71.861 in (null):H-9999 (8) and CG(67) at 65.68 79.8549 69.5221 in (null):E-9999 (9) Number of specific fragments= 1 total=1335 # 1d4aA.94.94 read from T0147_twice.t2k.frag # found chain 1d4aA in template set T0147_twice 94 :DLIIAGFHE 1d4aA 95 :DLVIFQFPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1336 # 1f0xA.94.94 read from T0147_twice.t2k.frag # found chain 1f0xA in template set T0147_twice 94 :DLIIAGFHE 1f0xA 95 :DVVIISTLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1337 # 1yasA.95.96 read from T0147_twice.t2k.frag # found chain 1yasA in template set T0147_twice 95 :LIIAGFHEP 1yasA 97 :IAAAVFHNS Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79828 Ang N(46) at 19.235 42.281 16.545 in (null):H-9999 (7) and CD(69) at 19.0211 44.1704 18.598 in (null):P-9999 (9) other bump:2.8925 Ang CA(47) at 20.249 43.237 16.151 in (null):H-9999 (7) and CD(69) at 19.0211 44.1704 18.598 in (null):P-9999 (9) other bump:2.1008 Ang C(55) at 19.915 44.617 16.75 in (null):H-9999 (7) and CD(69) at 19.0211 44.1704 18.598 in (null):P-9999 (9) neighbor-bump: 1.94182 Ang N(56) at 20.613 44.986 17.842 in (null):E-9999 (8) and CD(69) at 19.0211 44.1704 18.598 in (null):P-9999 (9) neighbor-bump: 2.38854 Ang CA(57) at 20.332 46.165 18.69 in (null):E-9999 (8) and CD(69) at 19.0211 44.1704 18.598 in (null):P-9999 (9) other bump:3.23938 Ang CA(36) at 18.253 40.292 17.557 in (null):F-9999 (6) and CG(68) at 17.9719 43.5136 17.7459 in (null):P-9999 (9) other bump:2.7393 Ang C(45) at 19.434 41.233 17.34 in (null):F-9999 (6) and CG(68) at 17.9719 43.5136 17.7459 in (null):P-9999 (9) other bump:2.1347 Ang N(46) at 19.235 42.281 16.545 in (null):H-9999 (7) and CG(68) at 17.9719 43.5136 17.7459 in (null):P-9999 (9) other bump:2.79382 Ang CA(47) at 20.249 43.237 16.151 in (null):H-9999 (7) and CG(68) at 17.9719 43.5136 17.7459 in (null):P-9999 (9) other bump:2.44642 Ang C(55) at 19.915 44.617 16.75 in (null):H-9999 (7) and CG(68) at 17.9719 43.5136 17.7459 in (null):P-9999 (9) neighbor-bump: 3.02535 Ang N(56) at 20.613 44.986 17.842 in (null):E-9999 (8) and CG(68) at 17.9719 43.5136 17.7459 in (null):P-9999 (9) neighbor-bump: 2.52463 Ang O(16) at 16.936 28.109 14.691 in (null):I-9999 (2) and CG2(22) at 18.9304 29.5129 15.343 in (null):I-9999 (3) Number of specific fragments= 1 total=1338 # 1qj4A.95.96 read from T0147_twice.t2k.frag # found chain 1qj4A in template set T0147_twice 95 :LIIAGFHEP 1qj4A 97 :IAAAVFHNS Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59439 Ang N(46) at 19.259 41.44 16.663 in (null):H-9999 (7) and CD(69) at 18.9918 43.1547 18.5915 in (null):P-9999 (9) neighbor-bump: 2.13514 Ang C(64) at 18.825 45.251 18.961 in (null):E-9999 (8) and CD(69) at 18.9918 43.1547 18.5915 in (null):P-9999 (9) other bump:3.13604 Ang C(45) at 19.479 40.323 17.335 in (null):F-9999 (6) and CD(69) at 18.9918 43.1547 18.5915 in (null):P-9999 (9) other bump:2.80571 Ang CA(47) at 20.269 42.391 16.213 in (null):H-9999 (7) and CD(69) at 18.9918 43.1547 18.5915 in (null):P-9999 (9) other bump:2.09405 Ang C(55) at 20.008 43.732 16.854 in (null):H-9999 (7) and CD(69) at 18.9918 43.1547 18.5915 in (null):P-9999 (9) neighbor-bump: 2.0545 Ang N(56) at 20.71 44.077 17.945 in (null):E-9999 (8) and CD(69) at 18.9918 43.1547 18.5915 in (null):P-9999 (9) other bump:2.05801 Ang N(46) at 19.259 41.44 16.663 in (null):H-9999 (7) and CG(68) at 17.9239 42.6423 17.6667 in (null):P-9999 (9) other bump:2.51203 Ang O(54) at 19.113 44.458 16.402 in (null):H-9999 (7) and CG(68) at 17.9239 42.6423 17.6667 in (null):P-9999 (9) other bump:2.81203 Ang C(45) at 19.479 40.323 17.335 in (null):F-9999 (6) and CG(68) at 17.9239 42.6423 17.6667 in (null):P-9999 (9) other bump:2.77055 Ang CA(47) at 20.269 42.391 16.213 in (null):H-9999 (7) and CG(68) at 17.9239 42.6423 17.6667 in (null):P-9999 (9) other bump:2.48829 Ang C(55) at 20.008 43.732 16.854 in (null):H-9999 (7) and CG(68) at 17.9239 42.6423 17.6667 in (null):P-9999 (9) neighbor-bump: 3.14619 Ang N(56) at 20.71 44.077 17.945 in (null):E-9999 (8) and CG(68) at 17.9239 42.6423 17.6667 in (null):P-9999 (9) neighbor-bump: 2.48934 Ang O(16) at 16.904 27.108 14.789 in (null):I-9999 (2) and CG2(22) at 18.8757 28.4522 15.4979 in (null):I-9999 (3) Number of specific fragments= 1 total=1339 # 1k5hA.95.95 read from T0147_twice.t2k.frag # found chain 1k5hA in template set T0147_twice 95 :LIIAGFHEP 1k5hA 96 :QVMAAIVGA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.84418 Ang CB(58) at 64.4906 80.7658 69.1752 in (null):E-9999 (8) and CD(69) at 63.0344 79.7288 66.9631 in (null):P-9999 (9) neighbor-bump: 1.69233 Ang O(54) at 65.499 79.78 71.203 in (null):H-9999 (7) and CG(59) at 65.68 79.8549 69.522 in (null):E-9999 (8) neighbor-bump: 2.62326 Ang C(55) at 64.525 80.132 71.861 in (null):H-9999 (7) and CG(59) at 65.68 79.8549 69.522 in (null):E-9999 (8) Number of specific fragments= 1 total=1340 # 1qrdA.95.95 read from T0147_twice.t2k.frag # found chain 1qrdA in template set T0147_twice 95 :LIIAGFHEP 1qrdA 96 :LVIFQFPLY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35199 Ang O(54) at 27.486 13.473 36.37 in (null):H-9999 (7) and CD(69) at 29.8332 13.5763 36.4791 in (null):P-9999 (9) Number of specific fragments= 1 total=1341 # 1d4aA.95.95 read from T0147_twice.t2k.frag # found chain 1d4aA in template set T0147_twice 95 :LIIAGFHEP 1d4aA 96 :LVIFQFPLQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1342 # 1f0xA.95.95 read from T0147_twice.t2k.frag # found chain 1f0xA in template set T0147_twice 95 :LIIAGFHEP 1f0xA 96 :VVIISTLRL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.91188 Ang C(64) at 46.367 41.434 40.698 in (null):E-9999 (8) and CD(69) at 47.5292 39.9185 40.7866 in (null):P-9999 (9) neighbor-bump: 2.59789 Ang N(56) at 45.642 40.051 42.567 in (null):E-9999 (8) and CD(69) at 47.5292 39.9185 40.7866 in (null):P-9999 (9) neighbor-bump: 2.46403 Ang CA(57) at 46.136 41.374 42.205 in (null):E-9999 (8) and CD(69) at 47.5292 39.9185 40.7866 in (null):P-9999 (9) neighbor-bump: 2.7882 Ang CB(58) at 47.3998 41.7846 42.8542 in (null):E-9999 (8) and CD(69) at 47.5292 39.9185 40.7866 in (null):P-9999 (9) Number of specific fragments= 1 total=1343 # 1yasA.96.97 read from T0147_twice.t2k.frag # found chain 1yasA in template set T0147_twice 96 :IIAGFHEPV 1yasA 98 :AAAVFHNSV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09351 Ang C(37) at 19.434 41.233 17.34 in (null):F-9999 (5) and CD(61) at 18.9153 43.9101 18.8007 in (null):P-9999 (8) other bump:2.80081 Ang N(38) at 19.235 42.281 16.545 in (null):H-9999 (6) and CD(61) at 18.9153 43.9101 18.8007 in (null):P-9999 (8) other bump:2.3884 Ang C(47) at 19.915 44.617 16.75 in (null):H-9999 (6) and CD(61) at 18.9153 43.9101 18.8007 in (null):P-9999 (8) other bump:3.04185 Ang CA(39) at 20.249 43.237 16.151 in (null):H-9999 (6) and CD(61) at 18.9153 43.9101 18.8007 in (null):P-9999 (8) neighbor-bump: 2.22683 Ang N(48) at 20.613 44.986 17.842 in (null):E-9999 (7) and CD(61) at 18.9153 43.9101 18.8007 in (null):P-9999 (8) other bump:2.88299 Ang CA(28) at 18.253 40.292 17.557 in (null):F-9999 (5) and CG(60) at 17.7844 42.8905 18.7146 in (null):P-9999 (8) other bump:2.71255 Ang C(37) at 19.434 41.233 17.34 in (null):F-9999 (5) and CG(60) at 17.7844 42.8905 18.7146 in (null):P-9999 (8) other bump:2.68009 Ang N(38) at 19.235 42.281 16.545 in (null):H-9999 (6) and CG(60) at 17.7844 42.8905 18.7146 in (null):P-9999 (8) other bump:2.73579 Ang CB(29) at 17.887 40.178 19.056 in (null):F-9999 (5) and CG(60) at 17.7844 42.8905 18.7146 in (null):P-9999 (8) neighbor-bump: 2.52463 Ang O(8) at 16.936 28.109 14.691 in (null):I-9999 (1) and CG2(14) at 18.9304 29.5129 15.343 in (null):I-9999 (2) Number of specific fragments= 1 total=1344 # 1qj4A.96.97 read from T0147_twice.t2k.frag # found chain 1qj4A in template set T0147_twice 96 :IIAGFHEPV 1qj4A 98 :AAAVFHNSV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00969 Ang C(37) at 19.479 40.323 17.335 in (null):F-9999 (5) and CD(61) at 18.8655 42.8929 18.7764 in (null):P-9999 (8) other bump:2.59463 Ang N(38) at 19.259 41.44 16.663 in (null):H-9999 (6) and CD(61) at 18.8655 42.8929 18.7764 in (null):P-9999 (8) other bump:2.96525 Ang CA(39) at 20.269 42.391 16.213 in (null):H-9999 (6) and CD(61) at 18.8655 42.8929 18.7764 in (null):P-9999 (8) other bump:2.38853 Ang C(47) at 20.008 43.732 16.854 in (null):H-9999 (6) and CD(61) at 18.8655 42.8929 18.7764 in (null):P-9999 (8) neighbor-bump: 2.34427 Ang N(48) at 20.71 44.077 17.945 in (null):E-9999 (7) and CD(61) at 18.8655 42.8929 18.7764 in (null):P-9999 (8) other bump:2.82566 Ang CA(28) at 18.288 39.402 17.577 in (null):F-9999 (5) and CG(60) at 17.6682 41.9672 18.5871 in (null):P-9999 (8) other bump:2.74768 Ang C(37) at 19.479 40.323 17.335 in (null):F-9999 (5) and CG(60) at 17.6682 41.9672 18.5871 in (null):P-9999 (8) other bump:2.78651 Ang CB(29) at 17.934 39.235 19.066 in (null):F-9999 (5) and CG(60) at 17.6682 41.9672 18.5871 in (null):P-9999 (8) other bump:2.55156 Ang N(38) at 19.259 41.44 16.663 in (null):H-9999 (6) and CG(60) at 17.6682 41.9672 18.5871 in (null):P-9999 (8) neighbor-bump: 2.48934 Ang O(8) at 16.904 27.108 14.789 in (null):I-9999 (1) and CG2(14) at 18.8757 28.4522 15.4979 in (null):I-9999 (2) Number of specific fragments= 1 total=1345 # 1ehiA.96.96 read from T0147_twice.t2k.frag # adding 1ehiA to template set 1ehiA:# found chain 1ehiA in template set T0147_twice 96 :IIAGFHEPV 1ehiA 97 :FFPVVHGNL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.32109 Ang N(57) at 28.269 8.068 57.445 in (null):P-9999 (8) and CD(61) at 28.0504 9.20892 56.8159 in (null):P-9999 (8) neighbor-bump: 2.44553 Ang CA(49) at 30.159 8.292 55.983 in (null):E-9999 (7) and CD(61) at 28.0504 9.20892 56.8159 in (null):P-9999 (8) neighbor-bump: 2.14907 Ang CB(50) at 30.1727 9.48231 56.6168 in (null):E-9999 (7) and CD(61) at 28.0504 9.20892 56.8159 in (null):P-9999 (8) self-bump: 2.19489 Ang N(57) at 28.269 8.068 57.445 in (null):P-9999 (8) and CG(60) at 27.0143 9.84749 57.722 in (null):P-9999 (8) self-bump: 1.34861 Ang CA(49) at 30.159 8.292 55.983 in (null):E-9999 (7) and CB(50) at 30.1727 9.48231 56.6168 in (null):E-9999 (7) Number of specific fragments= 1 total=1346 # 1jb7A.96.97 read from T0147_twice.t2k.frag # adding 1jb7A to template set 1jb7A:Skipped atom 14, because occupancy 0.5 <= existing 0.500001 Skipped atom 16, because occupancy 0.5 <= existing 0.500001 Skipped atom 18, because occupancy 0.5 <= existing 0.500001 Skipped atom 20, because occupancy 0.5 <= existing 0.500001 Skipped atom 22, because occupancy 0.5 <= existing 0.500001 Skipped atom 24, because occupancy 0.5 <= existing 0.500001 Skipped atom 26, because occupancy 0.5 <= existing 0.500001 Skipped atom 28, because occupancy 0.5 <= existing 0.500001 Skipped atom 30, because occupancy 0.5 <= existing 0.500001 Skipped atom 592, because occupancy 0.5 <= existing 0.500001 Skipped atom 594, because occupancy 0.5 <= existing 0.500001 Skipped atom 596, because occupancy 0.5 <= existing 0.500001 Skipped atom 598, because occupancy 0.5 <= existing 0.500001 Skipped atom 600, because occupancy 0.5 <= existing 0.500001 Skipped atom 602, because occupancy 0.5 <= existing 0.500001 Skipped atom 604, because occupancy 0.5 <= existing 0.500001 Skipped atom 606, because occupancy 0.5 <= existing 0.500001 Skipped atom 608, because occupancy 0.5 <= existing 0.500001 Skipped atom 731, because occupancy 0.5 <= existing 0.500001 Skipped atom 733, because occupancy 0.5 <= existing 0.500001 Skipped atom 735, because occupancy 0.5 <= existing 0.500001 Skipped atom 737, because occupancy 0.5 <= existing 0.500001 Skipped atom 739, because occupancy 0.5 <= existing 0.500001 Skipped atom 741, because occupancy 0.5 <= existing 0.500001 Skipped atom 743, because occupancy 0.5 <= existing 0.500001 Skipped atom 745, because occupancy 0.5 <= existing 0.500001 Skipped atom 747, because occupancy 0.5 <= existing 0.500001 Skipped atom 749, because occupancy 0.5 <= existing 0.500001 Skipped atom 751, because occupancy 0.5 <= existing 0.500001 Skipped atom 816, because occupancy 0.5 <= existing 0.500001 Skipped atom 818, because occupancy 0.5 <= existing 0.500001 Skipped atom 820, because occupancy 0.5 <= existing 0.500001 Skipped atom 822, because occupancy 0.5 <= existing 0.500001 Skipped atom 824, because occupancy 0.5 <= existing 0.500001 Skipped atom 826, because occupancy 0.5 <= existing 0.500001 Skipped atom 828, because occupancy 0.5 <= existing 0.500001 Skipped atom 830, because occupancy 0.5 <= existing 0.500001 Skipped atom 832, because occupancy 0.5 <= existing 0.500001 Skipped atom 993, because occupancy 0.5 <= existing 0.500001 Skipped atom 995, because occupancy 0.5 <= existing 0.500001 Skipped atom 997, because occupancy 0.5 <= existing 0.500001 Skipped atom 999, because occupancy 0.5 <= existing 0.500001 Skipped atom 1001, because occupancy 0.5 <= existing 0.500001 Skipped atom 1003, because occupancy 0.5 <= existing 0.500001 Skipped atom 1005, because occupancy 0.5 <= existing 0.500001 Skipped atom 1007, because occupancy 0.5 <= existing 0.500001 Skipped atom 1009, because occupancy 0.5 <= existing 0.500001 Skipped atom 1119, because occupancy 0.5 <= existing 0.500001 Skipped atom 1121, because occupancy 0.5 <= existing 0.500001 Skipped atom 1123, because occupancy 0.5 <= existing 0.500001 Skipped atom 1125, because occupancy 0.5 <= existing 0.500001 Skipped atom 1127, because occupancy 0.5 <= existing 0.500001 Skipped atom 1129, because occupancy 0.5 <= existing 0.500001 Skipped atom 1131, because occupancy 0.5 <= existing 0.500001 Skipped atom 1133, because occupancy 0.5 <= existing 0.500001 Skipped atom 1135, because occupancy 0.5 <= existing 0.500001 Skipped atom 1137, because occupancy 0.5 <= existing 0.500001 Skipped atom 1139, because occupancy 0.5 <= existing 0.500001 Skipped atom 1141, because occupancy 0.5 <= existing 0.500001 Skipped atom 1143, because occupancy 0.5 <= existing 0.500001 Skipped atom 1145, because occupancy 0.5 <= existing 0.500001 Skipped atom 1147, because occupancy 0.5 <= existing 0.500001 Skipped atom 1203, because occupancy 0.5 <= existing 0.500001 Skipped atom 1205, because occupancy 0.5 <= existing 0.500001 Skipped atom 1207, because occupancy 0.5 <= existing 0.500001 Skipped atom 1209, because occupancy 0.5 <= existing 0.500001 Skipped atom 1211, because occupancy 0.5 <= existing 0.500001 Skipped atom 1213, because occupancy 0.5 <= existing 0.500001 Skipped atom 1215, because occupancy 0.5 <= existing 0.500001 Skipped atom 1217, because occupancy 0.5 <= existing 0.500001 Skipped atom 1219, because occupancy 0.5 <= existing 0.500001 Skipped atom 1316, because occupancy 0.5 <= existing 0.500001 Skipped atom 1318, because occupancy 0.5 <= existing 0.500001 Skipped atom 1320, because occupancy 0.5 <= existing 0.500001 Skipped atom 1322, because occupancy 0.5 <= existing 0.500001 Skipped atom 1324, because occupancy 0.5 <= existing 0.500001 Skipped atom 1326, because occupancy 0.5 <= existing 0.500001 Skipped atom 1328, because occupancy 0.5 <= existing 0.500001 Skipped atom 1330, because occupancy 0.5 <= existing 0.500001 Skipped atom 1332, because occupancy 0.5 <= existing 0.500001 Skipped atom 2058, because occupancy 0.5 <= existing 0.500001 Skipped atom 2060, because occupancy 0.5 <= existing 0.500001 Skipped atom 2062, because occupancy 0.5 <= existing 0.500001 Skipped atom 2064, because occupancy 0.5 <= existing 0.500001 Skipped atom 2066, because occupancy 0.5 <= existing 0.500001 Skipped atom 2068, because occupancy 0.5 <= existing 0.500001 Skipped atom 2070, because occupancy 0.5 <= existing 0.500001 Skipped atom 2072, because occupancy 0.5 <= existing 0.500001 Skipped atom 2074, because occupancy 0.5 <= existing 0.500001 Skipped atom 2238, because occupancy 0.5 <= existing 0.500001 Skipped atom 2240, because occupancy 0.5 <= existing 0.500001 Skipped atom 2242, because occupancy 0.5 <= existing 0.500001 Skipped atom 2244, because occupancy 0.5 <= existing 0.500001 Skipped atom 2246, because occupancy 0.5 <= existing 0.500001 Skipped atom 2248, because occupancy 0.5 <= existing 0.500001 Skipped atom 2250, because occupancy 0.5 <= existing 0.500001 Skipped atom 2252, because occupancy 0.5 <= existing 0.500001 Skipped atom 2254, because occupancy 0.5 <= existing 0.500001 Skipped atom 2290, because occupancy 0.5 <= existing 0.500001 Skipped atom 2292, because occupancy 0.5 <= existing 0.500001 Skipped atom 2294, because occupancy 0.5 <= existing 0.500001 Skipped atom 2296, because occupancy 0.5 <= existing 0.500001 Skipped atom 2298, because occupancy 0.5 <= existing 0.500001 Skipped atom 2300, because occupancy 0.5 <= existing 0.500001 Skipped atom 2302, because occupancy 0.5 <= existing 0.500001 Skipped atom 2304, because occupancy 0.5 <= existing 0.500001 Skipped atom 2306, because occupancy 0.5 <= existing 0.500001 Skipped atom 2358, because occupancy 0.5 <= existing 0.500001 Skipped atom 2360, because occupancy 0.5 <= existing 0.500001 Skipped atom 2362, because occupancy 0.5 <= existing 0.500001 Skipped atom 2364, because occupancy 0.5 <= existing 0.500001 Skipped atom 2366, because occupancy 0.5 <= existing 0.500001 Skipped atom 2368, because occupancy 0.5 <= existing 0.500001 Skipped atom 2370, because occupancy 0.5 <= existing 0.500001 Skipped atom 2372, because occupancy 0.5 <= existing 0.500001 Skipped atom 2374, because occupancy 0.5 <= existing 0.500001 Skipped atom 2563, because occupancy 0.5 <= existing 0.500001 Skipped atom 2565, because occupancy 0.5 <= existing 0.500001 Skipped atom 2567, because occupancy 0.5 <= existing 0.500001 Skipped atom 2569, because occupancy 0.5 <= existing 0.500001 Skipped atom 2571, because occupancy 0.5 <= existing 0.500001 Skipped atom 2573, because occupancy 0.5 <= existing 0.500001 Skipped atom 2575, because occupancy 0.5 <= existing 0.500001 Skipped atom 2577, because occupancy 0.5 <= existing 0.500001 Skipped atom 2579, because occupancy 0.5 <= existing 0.500001 Skipped atom 2775, because occupancy 0.5 <= existing 0.500001 Skipped atom 2777, because occupancy 0.5 <= existing 0.500001 Skipped atom 2779, because occupancy 0.5 <= existing 0.500001 Skipped atom 2781, because occupancy 0.5 <= existing 0.500001 Skipped atom 2783, because occupancy 0.5 <= existing 0.500001 Skipped atom 2785, because occupancy 0.5 <= existing 0.500001 Skipped atom 2787, because occupancy 0.5 <= existing 0.500001 Skipped atom 2789, because occupancy 0.5 <= existing 0.500001 Skipped atom 2791, because occupancy 0.5 <= existing 0.500001 Skipped atom 2793, because occupancy 0.5 <= existing 0.500001 Skipped atom 2795, because occupancy 0.5 <= existing 0.500001 Skipped atom 2797, because occupancy 0.5 <= existing 0.500001 Skipped atom 2799, because occupancy 0.5 <= existing 0.500001 Skipped atom 2801, because occupancy 0.5 <= existing 0.500001 Skipped atom 2803, because occupancy 0.5 <= existing 0.500001 Skipped atom 2805, because occupancy 0.5 <= existing 0.500001 Skipped atom 2807, because occupancy 0.5 <= existing 0.500001 Skipped atom 3446, because occupancy 0.5 <= existing 0.500001 Skipped atom 3448, because occupancy 0.5 <= existing 0.500001 Skipped atom 3450, because occupancy 0.5 <= existing 0.500001 Skipped atom 3452, because occupancy 0.5 <= existing 0.500001 Skipped atom 3454, because occupancy 0.5 <= existing 0.500001 Skipped atom 3456, because occupancy 0.5 <= existing 0.500001 Skipped atom 3458, because occupancy 0.5 <= existing 0.500001 Skipped atom 3460, because occupancy 0.5 <= existing 0.500001 Skipped atom 3462, because occupancy 0.5 <= existing 0.500001 Skipped atom 3549, because occupancy 0.5 <= existing 0.500001 Skipped atom 3551, because occupancy 0.5 <= existing 0.500001 Skipped atom 3553, because occupancy 0.5 <= existing 0.500001 Skipped atom 3555, because occupancy 0.5 <= existing 0.500001 Skipped atom 3557, because occupancy 0.5 <= existing 0.500001 Skipped atom 3559, because occupancy 0.5 <= existing 0.500001 Skipped atom 3561, because occupancy 0.5 <= existing 0.500001 Skipped atom 3563, because occupancy 0.5 <= existing 0.500001 Skipped atom 3565, because occupancy 0.5 <= existing 0.500001 Skipped atom 3567, because occupancy 0.5 <= existing 0.500001 Skipped atom 3569, because occupancy 0.5 <= existing 0.500001 Skipped atom 3571, because occupancy 0.5 <= existing 0.500001 Skipped atom 3573, because occupancy 0.5 <= existing 0.500001 Skipped atom 3575, because occupancy 0.5 <= existing 0.500001 Skipped atom 3577, because occupancy 0.5 <= existing 0.500001 Skipped atom 3579, because occupancy 0.5 <= existing 0.500001 Skipped atom 3581, because occupancy 0.5 <= existing 0.500001 Skipped atom 3583, because occupancy 0.5 <= existing 0.500001 Skipped atom 3621, because occupancy 0.5 <= existing 0.500001 Skipped atom 3623, because occupancy 0.5 <= existing 0.500001 Skipped atom 3625, because occupancy 0.5 <= existing 0.500001 Skipped atom 3627, because occupancy 0.5 <= existing 0.500001 Skipped atom 3629, because occupancy 0.5 <= existing 0.500001 Skipped atom 3631, because occupancy 0.5 <= existing 0.500001 Skipped atom 3633, because occupancy 0.5 <= existing 0.500001 Skipped atom 3635, because occupancy 0.5 <= existing 0.500001 Skipped atom 3637, because occupancy 0.5 <= existing 0.500001 Skipped atom 3848, because occupancy 0.5 <= existing 0.500001 Skipped atom 3850, because occupancy 0.5 <= existing 0.500001 Skipped atom 3852, because occupancy 0.5 <= existing 0.500001 Skipped atom 3854, because occupancy 0.5 <= existing 0.500001 Skipped atom 3856, because occupancy 0.5 <= existing 0.500001 Skipped atom 3858, because occupancy 0.5 <= existing 0.500001 Skipped atom 3860, because occupancy 0.5 <= existing 0.500001 Skipped atom 3862, because occupancy 0.5 <= existing 0.500001 Skipped atom 3864, because occupancy 0.5 <= existing 0.500001 # found chain 1jb7A in template set T0147_twice 96 :IIAGFHEPV 1jb7A 98 :ATLVLYAKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1347 # 1otcA.96.97 read from T0147_twice.t2k.frag # adding 1otcA to template set 1otcA:# found chain 1otcA in template set T0147_twice 96 :IIAGFHEPV 1otcA 98 :ATLVLYAKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1348 # 1qrdA.96.96 read from T0147_twice.t2k.frag # found chain 1qrdA in template set T0147_twice 96 :IIAGFHEPV 1qrdA 97 :VIFQFPLYW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42285 Ang O(46) at 27.486 13.473 36.37 in (null):H-9999 (6) and CD(61) at 29.8909 13.5554 36.6523 in (null):P-9999 (8) Number of specific fragments= 1 total=1349 # 1yasA.97.98 read from T0147_twice.t2k.frag # found chain 1yasA in template set T0147_twice 97 :IAGFHEPVF 1yasA 99 :AAVFHNSVL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80081 Ang N(30) at 19.235 42.281 16.545 in (null):H-9999 (5) and CD(53) at 18.9153 43.9101 18.8007 in (null):P-9999 (7) other bump:3.09351 Ang C(29) at 19.434 41.233 17.34 in (null):F-9999 (4) and CD(53) at 18.9153 43.9101 18.8007 in (null):P-9999 (7) other bump:3.04185 Ang CA(31) at 20.249 43.237 16.151 in (null):H-9999 (5) and CD(53) at 18.9153 43.9101 18.8007 in (null):P-9999 (7) other bump:2.3884 Ang C(39) at 19.915 44.617 16.75 in (null):H-9999 (5) and CD(53) at 18.9153 43.9101 18.8007 in (null):P-9999 (7) neighbor-bump: 2.22683 Ang N(40) at 20.613 44.986 17.842 in (null):E-9999 (6) and CD(53) at 18.9153 43.9101 18.8007 in (null):P-9999 (7) other bump:2.88299 Ang CA(20) at 18.253 40.292 17.557 in (null):F-9999 (4) and CG(52) at 17.7844 42.8905 18.7146 in (null):P-9999 (7) other bump:2.73579 Ang CB(21) at 17.887 40.178 19.056 in (null):F-9999 (4) and CG(52) at 17.7844 42.8905 18.7146 in (null):P-9999 (7) other bump:2.68009 Ang N(30) at 19.235 42.281 16.545 in (null):H-9999 (5) and CG(52) at 17.7844 42.8905 18.7146 in (null):P-9999 (7) other bump:2.71255 Ang C(29) at 19.434 41.233 17.34 in (null):F-9999 (4) and CG(52) at 17.7844 42.8905 18.7146 in (null):P-9999 (7) neighbor-bump: 2.51373 Ang O(0) at 16.936 28.109 14.691 in (null):G-9999 (0) and CG2(6) at 18.9804 29.509 15.1143 in (null):I-9999 (1) Number of specific fragments= 1 total=1350 # 1qj4A.97.98 read from T0147_twice.t2k.frag # found chain 1qj4A in template set T0147_twice 97 :IAGFHEPVF 1qj4A 99 :AAVFHNSVL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06922 Ang CZ(27) at 14.508 36.664 19.584 in (null):F-9999 (4) and CE1(69) at 15.2051 35.9741 22.4923 in (null):F-9999 (9) other bump:3.11474 Ang CE1(25) at 15.777 36.12 19.434 in (null):F-9999 (4) and CE1(69) at 15.2051 35.9741 22.4923 in (null):F-9999 (9) other bump:2.59463 Ang N(30) at 19.259 41.44 16.663 in (null):H-9999 (5) and CD(53) at 18.8655 42.8929 18.7764 in (null):P-9999 (7) other bump:2.96525 Ang CA(31) at 20.269 42.391 16.213 in (null):H-9999 (5) and CD(53) at 18.8655 42.8929 18.7764 in (null):P-9999 (7) other bump:2.38853 Ang C(39) at 20.008 43.732 16.854 in (null):H-9999 (5) and CD(53) at 18.8655 42.8929 18.7764 in (null):P-9999 (7) other bump:3.00969 Ang C(29) at 19.479 40.323 17.335 in (null):F-9999 (4) and CD(53) at 18.8655 42.8929 18.7764 in (null):P-9999 (7) neighbor-bump: 2.34427 Ang N(40) at 20.71 44.077 17.945 in (null):E-9999 (6) and CD(53) at 18.8655 42.8929 18.7764 in (null):P-9999 (7) other bump:2.82566 Ang CA(20) at 18.288 39.402 17.577 in (null):F-9999 (4) and CG(52) at 17.6682 41.9672 18.5871 in (null):P-9999 (7) other bump:2.78651 Ang CB(21) at 17.934 39.235 19.066 in (null):F-9999 (4) and CG(52) at 17.6682 41.9672 18.5871 in (null):P-9999 (7) other bump:2.55156 Ang N(30) at 19.259 41.44 16.663 in (null):H-9999 (5) and CG(52) at 17.6682 41.9672 18.5871 in (null):P-9999 (7) other bump:2.74768 Ang C(29) at 19.479 40.323 17.335 in (null):F-9999 (4) and CG(52) at 17.6682 41.9672 18.5871 in (null):P-9999 (7) neighbor-bump: 2.48093 Ang O(0) at 16.904 27.108 14.789 in (null):G-9999 (0) and CG2(6) at 18.9333 28.4513 15.2711 in (null):I-9999 (1) Number of specific fragments= 1 total=1351 # 1ehiA.97.97 read from T0147_twice.t2k.frag # found chain 1ehiA in template set T0147_twice 97 :IAGFHEPVF 1ehiA 98 :FPVVHGNLG Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00491 Ang CA(11) at 28.32 -0.031 48.75 in (null):A-9999 (2) and CZ(71) at 30.3232 -0.396304 50.9598 in (null):F-9999 (9) other bump:1.95973 Ang CB(12) at 28.523 -0.481 50.19 in (null):A-9999 (2) and CZ(71) at 30.3232 -0.396304 50.9598 in (null):F-9999 (9) other bump:3.19682 Ang C(14) at 29.205 1.155 48.398 in (null):A-9999 (2) and CZ(71) at 30.3232 -0.396304 50.9598 in (null):F-9999 (9) other bump:3.12065 Ang CB(12) at 28.523 -0.481 50.19 in (null):A-9999 (2) and CE2(70) at 31.1709 0.55594 51.4752 in (null):F-9999 (9) other bump:2.53632 Ang CA(11) at 28.32 -0.031 48.75 in (null):A-9999 (2) and CE1(69) at 28.96 -0.291745 51.1904 in (null):F-9999 (9) other bump:1.10793 Ang CB(12) at 28.523 -0.481 50.19 in (null):A-9999 (2) and CE1(69) at 28.96 -0.291745 51.1904 in (null):F-9999 (9) other bump:3.15442 Ang C(14) at 29.205 1.155 48.398 in (null):A-9999 (2) and CE1(69) at 28.96 -0.291745 51.1904 in (null):F-9999 (9) other bump:2.14896 Ang CB(12) at 28.523 -0.481 50.19 in (null):A-9999 (2) and CD1(67) at 28.4719 0.741687 51.9565 in (null):F-9999 (9) other bump:2.39623 Ang O(28) at 29.09 4.972 52.298 in (null):F-9999 (4) and CB(65) at 28.7563 2.8294 53.3177 in (null):F-9999 (9) self-bump: 1.32109 Ang N(49) at 28.269 8.068 57.445 in (null):P-9999 (7) and CD(53) at 28.0504 9.20892 56.8159 in (null):P-9999 (7) neighbor-bump: 2.44553 Ang CA(41) at 30.159 8.292 55.983 in (null):E-9999 (6) and CD(53) at 28.0504 9.20892 56.8159 in (null):P-9999 (7) neighbor-bump: 2.14907 Ang CB(42) at 30.1727 9.48231 56.6168 in (null):E-9999 (6) and CD(53) at 28.0504 9.20892 56.8159 in (null):P-9999 (7) self-bump: 2.19489 Ang N(49) at 28.269 8.068 57.445 in (null):P-9999 (7) and CG(52) at 27.0143 9.84749 57.722 in (null):P-9999 (7) self-bump: 1.34861 Ang CA(41) at 30.159 8.292 55.983 in (null):E-9999 (6) and CB(42) at 30.1727 9.48231 56.6168 in (null):E-9999 (6) Number of specific fragments= 1 total=1352 # 1jb7A.97.98 read from T0147_twice.t2k.frag # found chain 1jb7A in template set T0147_twice 97 :IAGFHEPVF 1jb7A 99 :TLVLYAKRF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1353 # 1otcA.97.98 read from T0147_twice.t2k.frag # found chain 1otcA in template set T0147_twice 97 :IAGFHEPVF 1otcA 99 :TLVLYAKRF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1354 # 1dbiA.97.98 read from T0147_twice.t2k.frag # adding 1dbiA to template set 1dbiA:Skipped atom 258, because occupancy 1 <= existing 1 Skipped atom 1059, because occupancy 1 <= existing 1 Skipped atom 1061, because occupancy 1 <= existing 1 Skipped atom 1591, because occupancy 1 <= existing 1 Skipped atom 1673, because occupancy 1 <= existing 1 Skipped atom 1675, because occupancy 1 <= existing 1 Skipped atom 1677, because occupancy 1 <= existing 1 Skipped atom 1702, because occupancy 1 <= existing 1 Skipped atom 1704, because occupancy 1 <= existing 1 Skipped atom 1706, because occupancy 1 <= existing 1 # found chain 1dbiA in template set T0147_twice 97 :IAGFHEPVF 1dbiA 99 :ILAVRALDR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.49023 Ang N(40) at 19.444 -1.853 27.019 in (null):E-9999 (6) and CD(53) at 18.9103 -3.47956 25.2105 in (null):P-9999 (7) other bump:2.23304 Ang CD2(24) at 16.3777 1.08476 28.9787 in (null):F-9999 (4) and OE2(46) at 15.6604 -0.595824 30.2623 in (null):E-9999 (6) other bump:1.34324 Ang CE2(26) at 16.501 0.450783 30.2149 in (null):F-9999 (4) and OE2(46) at 15.6604 -0.595824 30.2623 in (null):E-9999 (6) other bump:2.43138 Ang CZ(27) at 17.0036 1.14135 31.306 in (null):F-9999 (4) and OE2(46) at 15.6604 -0.595824 30.2623 in (null):E-9999 (6) other bump:2.7887 Ang CD2(24) at 16.3777 1.08476 28.9787 in (null):F-9999 (4) and CD(44) at 15.8762 -1.59776 29.5526 in (null):E-9999 (6) other bump:2.24178 Ang CE2(26) at 16.501 0.450783 30.2149 in (null):F-9999 (4) and CD(44) at 15.8762 -1.59776 29.5526 in (null):E-9999 (6) other bump:2.55534 Ang CE2(26) at 16.501 0.450783 30.2149 in (null):F-9999 (4) and CG(43) at 17.3239 -1.72144 29.15 in (null):E-9999 (6) Number of specific fragments= 1 total=1355 # 1yasA.98.99 read from T0147_twice.t2k.frag # found chain 1yasA in template set T0147_twice 98 :AGFHEPVFA 1yasA 100 :AVFHNSVLP Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.04185 Ang CA(23) at 20.249 43.237 16.151 in (null):H-9999 (4) and CD(45) at 18.9153 43.9101 18.8007 in (null):P-9999 (6) other bump:3.09351 Ang C(21) at 19.434 41.233 17.34 in (null):F-9999 (3) and CD(45) at 18.9153 43.9101 18.8007 in (null):P-9999 (6) other bump:2.80081 Ang N(22) at 19.235 42.281 16.545 in (null):H-9999 (4) and CD(45) at 18.9153 43.9101 18.8007 in (null):P-9999 (6) other bump:2.3884 Ang C(31) at 19.915 44.617 16.75 in (null):H-9999 (4) and CD(45) at 18.9153 43.9101 18.8007 in (null):P-9999 (6) neighbor-bump: 2.22683 Ang N(32) at 20.613 44.986 17.842 in (null):E-9999 (5) and CD(45) at 18.9153 43.9101 18.8007 in (null):P-9999 (6) other bump:2.88299 Ang CA(12) at 18.253 40.292 17.557 in (null):F-9999 (3) and CG(44) at 17.7844 42.8905 18.7146 in (null):P-9999 (6) other bump:2.73579 Ang CB(13) at 17.887 40.178 19.056 in (null):F-9999 (3) and CG(44) at 17.7844 42.8905 18.7146 in (null):P-9999 (6) other bump:2.71255 Ang C(21) at 19.434 41.233 17.34 in (null):F-9999 (3) and CG(44) at 17.7844 42.8905 18.7146 in (null):P-9999 (6) other bump:2.68009 Ang N(22) at 19.235 42.281 16.545 in (null):H-9999 (4) and CG(44) at 17.7844 42.8905 18.7146 in (null):P-9999 (6) Number of specific fragments= 1 total=1356 # 1qj4A.98.99 read from T0147_twice.t2k.frag # found chain 1qj4A in template set T0147_twice 98 :AGFHEPVFA 1qj4A 100 :AVFHNSVLP Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.18681 Ang CE1(17) at 15.777 36.12 19.434 in (null):F-9999 (3) and CE1(61) at 14.9772 35.9417 22.5137 in (null):F-9999 (8) other bump:3.05365 Ang CZ(19) at 14.508 36.664 19.584 in (null):F-9999 (3) and CE1(61) at 14.9772 35.9417 22.5137 in (null):F-9999 (8) other bump:3.03629 Ang CZ(19) at 14.508 36.664 19.584 in (null):F-9999 (3) and CD1(59) at 15.0448 37.3485 22.493 in (null):F-9999 (8) other bump:3.00969 Ang C(21) at 19.479 40.323 17.335 in (null):F-9999 (3) and CD(45) at 18.8655 42.8929 18.7764 in (null):P-9999 (6) other bump:2.59463 Ang N(22) at 19.259 41.44 16.663 in (null):H-9999 (4) and CD(45) at 18.8655 42.8929 18.7764 in (null):P-9999 (6) other bump:2.96525 Ang CA(23) at 20.269 42.391 16.213 in (null):H-9999 (4) and CD(45) at 18.8655 42.8929 18.7764 in (null):P-9999 (6) other bump:2.38853 Ang C(31) at 20.008 43.732 16.854 in (null):H-9999 (4) and CD(45) at 18.8655 42.8929 18.7764 in (null):P-9999 (6) neighbor-bump: 2.34427 Ang N(32) at 20.71 44.077 17.945 in (null):E-9999 (5) and CD(45) at 18.8655 42.8929 18.7764 in (null):P-9999 (6) other bump:2.82566 Ang CA(12) at 18.288 39.402 17.577 in (null):F-9999 (3) and CG(44) at 17.6682 41.9672 18.5871 in (null):P-9999 (6) other bump:2.78651 Ang CB(13) at 17.934 39.235 19.066 in (null):F-9999 (3) and CG(44) at 17.6682 41.9672 18.5871 in (null):P-9999 (6) other bump:2.74768 Ang C(21) at 19.479 40.323 17.335 in (null):F-9999 (3) and CG(44) at 17.6682 41.9672 18.5871 in (null):P-9999 (6) other bump:2.55156 Ang N(22) at 19.259 41.44 16.663 in (null):H-9999 (4) and CG(44) at 17.6682 41.9672 18.5871 in (null):P-9999 (6) Number of specific fragments= 1 total=1357 # 1ehiA.98.98 read from T0147_twice.t2k.frag # found chain 1ehiA in template set T0147_twice 98 :AGFHEPVFA 1ehiA 99 :PVVHGNLGE Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.1987 Ang C(6) at 29.205 1.155 48.398 in (null):A-9999 (1) and CE1(61) at 30.7033 0.810025 51.203 in (null):F-9999 (8) other bump:2.72884 Ang CB(4) at 28.523 -0.481 50.19 in (null):A-9999 (1) and CE1(61) at 30.7033 0.810025 51.203 in (null):F-9999 (8) other bump:2.47307 Ang O(20) at 29.09 4.972 52.298 in (null):F-9999 (3) and CD2(60) at 30.9543 3.34734 52.2688 in (null):F-9999 (8) other bump:2.79213 Ang CB(4) at 28.523 -0.481 50.19 in (null):A-9999 (1) and CD1(59) at 29.6751 1.35933 51.9455 in (null):F-9999 (8) other bump:2.47 Ang O(20) at 29.09 4.972 52.298 in (null):F-9999 (3) and CG(58) at 29.7948 2.61187 52.4821 in (null):F-9999 (8) other bump:2.03762 Ang O(20) at 29.09 4.972 52.298 in (null):F-9999 (3) and CB(57) at 28.6721 3.24954 53.3032 in (null):F-9999 (8) other bump:3.15109 Ang C(21) at 28.722 5.817 51.477 in (null):F-9999 (3) and CB(57) at 28.6721 3.24954 53.3032 in (null):F-9999 (8) self-bump: 1.32109 Ang N(41) at 28.269 8.068 57.445 in (null):P-9999 (6) and CD(45) at 28.0504 9.20892 56.8159 in (null):P-9999 (6) neighbor-bump: 2.44553 Ang CA(33) at 30.159 8.292 55.983 in (null):E-9999 (5) and CD(45) at 28.0504 9.20892 56.8159 in (null):P-9999 (6) neighbor-bump: 2.14907 Ang CB(34) at 30.1727 9.48231 56.6168 in (null):E-9999 (5) and CD(45) at 28.0504 9.20892 56.8159 in (null):P-9999 (6) self-bump: 2.19489 Ang N(41) at 28.269 8.068 57.445 in (null):P-9999 (6) and CG(44) at 27.0143 9.84749 57.722 in (null):P-9999 (6) self-bump: 1.34861 Ang CA(33) at 30.159 8.292 55.983 in (null):E-9999 (5) and CB(34) at 30.1727 9.48231 56.6168 in (null):E-9999 (5) Number of specific fragments= 1 total=1358 # 1jb7A.98.99 read from T0147_twice.t2k.frag # found chain 1jb7A in template set T0147_twice 98 :AGFHEPVFA 1jb7A 100 :LVLYAKRFE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.25242 Ang CD(36) at 9.93249 35.6792 16.1009 in (null):E-9999 (5) and CA(72) at 7.722 38.049 16.377 in (null):G-9999 (10) other bump:2.64182 Ang OE2(38) at 9.9356 36.6845 16.8431 in (null):E-9999 (5) and CA(72) at 7.722 38.049 16.377 in (null):G-9999 (10) Number of specific fragments= 1 total=1359 # 1otcA.98.99 read from T0147_twice.t2k.frag # found chain 1otcA in template set T0147_twice 98 :AGFHEPVFA 1otcA 100 :LVLYAKRFE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.20237 Ang CD(36) at 9.84493 36.381 16.002 in (null):E-9999 (5) and CA(72) at 7.626 38.612 16.597 in (null):G-9999 (10) other bump:2.52771 Ang OE2(38) at 9.8159 37.3622 16.775 in (null):E-9999 (5) and CA(72) at 7.626 38.612 16.597 in (null):G-9999 (10) Number of specific fragments= 1 total=1360 # 1mfiA.98.58 read from T0147_twice.t2k.frag # adding 1mfiA to template set 1mfiA:# found chain 1mfiA in template set T0147_twice 98 :AGFHEPVFA 1mfiA 59 :CSLHSIGKI Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.34926 Ang OE1(37) at -12.6067 19.7162 13.9415 in (null):E-9999 (5) and N(66) at -12.254 17.394 13.899 in (null):A-9999 (9) other bump:3.0128 Ang CD(36) at -12.9852 20.9005 13.8167 in (null):E-9999 (5) and C(65) at -13.464 17.931 13.99 in (null):F-9999 (8) other bump:1.98101 Ang OE1(37) at -12.6067 19.7162 13.9415 in (null):E-9999 (5) and C(65) at -13.464 17.931 13.99 in (null):F-9999 (8) other bump:2.53653 Ang CD(36) at -12.9852 20.9005 13.8167 in (null):E-9999 (5) and CB(57) at -14.7502 19.6852 15.1739 in (null):F-9999 (8) other bump:2.2022 Ang OE2(38) at -14.1857 21.2367 13.7166 in (null):E-9999 (5) and CB(57) at -14.7502 19.6852 15.1739 in (null):F-9999 (8) other bump:2.47274 Ang OE1(37) at -12.6067 19.7162 13.9415 in (null):E-9999 (5) and CB(57) at -14.7502 19.6852 15.1739 in (null):F-9999 (8) other bump:2.93786 Ang CD(36) at -12.9852 20.9005 13.8167 in (null):E-9999 (5) and CA(56) at -13.829 18.546 15.358 in (null):F-9999 (8) other bump:2.20681 Ang OE1(37) at -12.6067 19.7162 13.9415 in (null):E-9999 (5) and CA(56) at -13.829 18.546 15.358 in (null):F-9999 (8) neighbor-bump: 2.85019 Ang CG1(51) at -11.8747 17.8559 17.3145 in (null):V-9999 (7) and CA(56) at -13.829 18.546 15.358 in (null):F-9999 (8) other bump:2.46891 Ang OE1(37) at -12.6067 19.7162 13.9415 in (null):E-9999 (5) and N(55) at -12.662 18.772 16.222 in (null):F-9999 (8) neighbor-bump: 2.40088 Ang CB(50) at -10.7693 18.8225 17.6983 in (null):V-9999 (7) and N(55) at -12.662 18.772 16.222 in (null):F-9999 (8) neighbor-bump: 1.62872 Ang CG1(51) at -11.8747 17.8559 17.3145 in (null):V-9999 (7) and N(55) at -12.662 18.772 16.222 in (null):F-9999 (8) other bump:2.7451 Ang CD(36) at -12.9852 20.9005 13.8167 in (null):E-9999 (5) and C(54) at -11.72 19.673 15.921 in (null):V-9999 (7) other bump:2.16949 Ang OE1(37) at -12.6067 19.7162 13.9415 in (null):E-9999 (5) and C(54) at -11.72 19.673 15.921 in (null):V-9999 (7) self-bump: 2.18768 Ang CB(50) at -10.7693 18.8225 17.6983 in (null):V-9999 (7) and C(54) at -11.72 19.673 15.921 in (null):V-9999 (7) self-bump: 2.29516 Ang CG1(51) at -11.8747 17.8559 17.3145 in (null):V-9999 (7) and C(54) at -11.72 19.673 15.921 in (null):V-9999 (7) other bump:3.16757 Ang CG(35) at -11.9408 21.9837 13.7657 in (null):E-9999 (5) and C(54) at -11.72 19.673 15.921 in (null):V-9999 (7) other bump:1.69778 Ang CD(36) at -12.9852 20.9005 13.8167 in (null):E-9999 (5) and O(53) at -11.781 20.367 14.888 in (null):V-9999 (7) other bump:1.41465 Ang OE1(37) at -12.6067 19.7162 13.9415 in (null):E-9999 (5) and O(53) at -11.781 20.367 14.888 in (null):V-9999 (7) other bump:1.97454 Ang CG(35) at -11.9408 21.9837 13.7657 in (null):E-9999 (5) and O(53) at -11.781 20.367 14.888 in (null):V-9999 (7) self-bump: 1.2862 Ang CA(49) at -10.54 19.811 16.908 in (null):V-9999 (7) and CB(50) at -10.7693 18.8225 17.6983 in (null):V-9999 (7) neighbor-bump: 2.12598 Ang C(40) at -9.259 22.825 13.552 in (null):E-9999 (5) and CD(45) at -8.89727 24.8208 14.1889 in (null):P-9999 (6) self-bump: 2.1711 Ang N(41) at -9.532 23.425 14.71 in (null):P-9999 (6) and CG(44) at -9.36275 25.4515 15.4706 in (null):P-9999 (6) Number of specific fragments= 1 total=1361 # 1yasA.99.100 read from T0147_twice.t2k.frag # found chain 1yasA in template set T0147_twice 99 :GFHEPVFAP 1yasA 101 :VFHNSVLPD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09351 Ang C(16) at 19.434 41.233 17.34 in (null):F-9999 (2) and CD(40) at 18.9153 43.9101 18.8007 in (null):P-9999 (5) other bump:2.80081 Ang N(17) at 19.235 42.281 16.545 in (null):H-9999 (3) and CD(40) at 18.9153 43.9101 18.8007 in (null):P-9999 (5) other bump:3.04185 Ang CA(18) at 20.249 43.237 16.151 in (null):H-9999 (3) and CD(40) at 18.9153 43.9101 18.8007 in (null):P-9999 (5) other bump:2.3884 Ang C(26) at 19.915 44.617 16.75 in (null):H-9999 (3) and CD(40) at 18.9153 43.9101 18.8007 in (null):P-9999 (5) neighbor-bump: 2.22683 Ang N(27) at 20.613 44.986 17.842 in (null):E-9999 (4) and CD(40) at 18.9153 43.9101 18.8007 in (null):P-9999 (5) other bump:2.88299 Ang CA(7) at 18.253 40.292 17.557 in (null):F-9999 (2) and CG(39) at 17.7844 42.8905 18.7146 in (null):P-9999 (5) other bump:2.73579 Ang CB(8) at 17.887 40.178 19.056 in (null):F-9999 (2) and CG(39) at 17.7844 42.8905 18.7146 in (null):P-9999 (5) other bump:2.71255 Ang C(16) at 19.434 41.233 17.34 in (null):F-9999 (2) and CG(39) at 17.7844 42.8905 18.7146 in (null):P-9999 (5) other bump:2.68009 Ang N(17) at 19.235 42.281 16.545 in (null):H-9999 (3) and CG(39) at 17.7844 42.8905 18.7146 in (null):P-9999 (5) Number of specific fragments= 1 total=1362 # 1qj4A.99.100 read from T0147_twice.t2k.frag # found chain 1qj4A in template set T0147_twice 99 :GFHEPVFAP 1qj4A 101 :VFHNSVLPD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05365 Ang CZ(14) at 14.508 36.664 19.584 in (null):F-9999 (2) and CE1(56) at 14.9772 35.9417 22.5137 in (null):F-9999 (7) other bump:3.18681 Ang CE1(12) at 15.777 36.12 19.434 in (null):F-9999 (2) and CE1(56) at 14.9772 35.9417 22.5137 in (null):F-9999 (7) other bump:3.03629 Ang CZ(14) at 14.508 36.664 19.584 in (null):F-9999 (2) and CD1(54) at 15.0448 37.3485 22.493 in (null):F-9999 (7) other bump:3.00969 Ang C(16) at 19.479 40.323 17.335 in (null):F-9999 (2) and CD(40) at 18.8655 42.8929 18.7764 in (null):P-9999 (5) other bump:2.59463 Ang N(17) at 19.259 41.44 16.663 in (null):H-9999 (3) and CD(40) at 18.8655 42.8929 18.7764 in (null):P-9999 (5) other bump:2.96525 Ang CA(18) at 20.269 42.391 16.213 in (null):H-9999 (3) and CD(40) at 18.8655 42.8929 18.7764 in (null):P-9999 (5) other bump:2.38853 Ang C(26) at 20.008 43.732 16.854 in (null):H-9999 (3) and CD(40) at 18.8655 42.8929 18.7764 in (null):P-9999 (5) neighbor-bump: 2.34427 Ang N(27) at 20.71 44.077 17.945 in (null):E-9999 (4) and CD(40) at 18.8655 42.8929 18.7764 in (null):P-9999 (5) other bump:2.82566 Ang CA(7) at 18.288 39.402 17.577 in (null):F-9999 (2) and CG(39) at 17.6682 41.9672 18.5871 in (null):P-9999 (5) other bump:2.78651 Ang CB(8) at 17.934 39.235 19.066 in (null):F-9999 (2) and CG(39) at 17.6682 41.9672 18.5871 in (null):P-9999 (5) other bump:2.74768 Ang C(16) at 19.479 40.323 17.335 in (null):F-9999 (2) and CG(39) at 17.6682 41.9672 18.5871 in (null):P-9999 (5) other bump:2.55156 Ang N(17) at 19.259 41.44 16.663 in (null):H-9999 (3) and CG(39) at 17.6682 41.9672 18.5871 in (null):P-9999 (5) Number of specific fragments= 1 total=1363 # 1ehiA.99.99 read from T0147_twice.t2k.frag # found chain 1ehiA in template set T0147_twice 99 :GFHEPVFAP 1ehiA 100 :VVHGNLGED Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58159 Ang O(34) at 29.653 6.289 57.214 in (null):E-9999 (4) and CD(70) at 30.1071 3.92572 58.1485 in (null):P-9999 (9) neighbor-bump: 2.23725 Ang N(61) at 30.437 3.3 56.026 in (null):A-9999 (8) and CD(70) at 30.1071 3.92572 58.1485 in (null):P-9999 (9) neighbor-bump: 2.344 Ang CA(62) at 31.747 3.154 56.662 in (null):A-9999 (8) and CD(70) at 30.1071 3.92572 58.1485 in (null):P-9999 (9) neighbor-bump: 1.93621 Ang C(65) at 31.753 2.906 58.165 in (null):A-9999 (8) and CD(70) at 30.1071 3.92572 58.1485 in (null):P-9999 (9) self-bump: 1.30942 Ang N(66) at 30.575 2.879 58.781 in (null):P-9999 (9) and CD(70) at 30.1071 3.92572 58.1485 in (null):P-9999 (9) self-bump: 2.17813 Ang N(66) at 30.575 2.879 58.781 in (null):P-9999 (9) and CG(69) at 29.6557 4.77887 59.3192 in (null):P-9999 (9) other bump:3.1987 Ang C(1) at 29.205 1.155 48.398 in (null):G-9999 (0) and CE1(56) at 30.7033 0.810025 51.203 in (null):F-9999 (7) other bump:2.47307 Ang O(15) at 29.09 4.972 52.298 in (null):F-9999 (2) and CD2(55) at 30.9543 3.34734 52.2688 in (null):F-9999 (7) other bump:2.47 Ang O(15) at 29.09 4.972 52.298 in (null):F-9999 (2) and CG(53) at 29.7948 2.61187 52.4821 in (null):F-9999 (7) other bump:2.03762 Ang O(15) at 29.09 4.972 52.298 in (null):F-9999 (2) and CB(52) at 28.6721 3.24954 53.3032 in (null):F-9999 (7) other bump:3.15109 Ang C(16) at 28.722 5.817 51.477 in (null):F-9999 (2) and CB(52) at 28.6721 3.24954 53.3032 in (null):F-9999 (7) self-bump: 1.32109 Ang N(36) at 28.269 8.068 57.445 in (null):P-9999 (5) and CD(40) at 28.0504 9.20892 56.8159 in (null):P-9999 (5) neighbor-bump: 2.44553 Ang CA(28) at 30.159 8.292 55.983 in (null):E-9999 (4) and CD(40) at 28.0504 9.20892 56.8159 in (null):P-9999 (5) neighbor-bump: 2.14907 Ang CB(29) at 30.1727 9.48231 56.6168 in (null):E-9999 (4) and CD(40) at 28.0504 9.20892 56.8159 in (null):P-9999 (5) self-bump: 2.19489 Ang N(36) at 28.269 8.068 57.445 in (null):P-9999 (5) and CG(39) at 27.0143 9.84749 57.722 in (null):P-9999 (5) self-bump: 1.34861 Ang CA(28) at 30.159 8.292 55.983 in (null):E-9999 (4) and CB(29) at 30.1727 9.48231 56.6168 in (null):E-9999 (4) Number of specific fragments= 1 total=1364 # 1jb7A.99.100 read from T0147_twice.t2k.frag # found chain 1jb7A in template set T0147_twice 99 :GFHEPVFAP 1jb7A 101 :VLYAKRFED Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.33063 Ang OE1(32) at 9.15967 34.712 16.2703 in (null):E-9999 (4) and CA(74) at 8.076 34.816 18.331 in (null):G-9999 (10) other bump:3.02738 Ang CD(31) at 9.93249 35.6792 16.1009 in (null):E-9999 (4) and CA(74) at 8.076 34.816 18.331 in (null):G-9999 (10) other bump:2.52517 Ang OE1(32) at 9.15967 34.712 16.2703 in (null):E-9999 (4) and N(73) at 7.981 36.205 17.931 in (null):G-9999 (10) other bump:2.72652 Ang CD(31) at 9.93249 35.6792 16.1009 in (null):E-9999 (4) and N(73) at 7.981 36.205 17.931 in (null):G-9999 (10) other bump:2.28778 Ang OE2(33) at 9.9356 36.6845 16.8431 in (null):E-9999 (4) and N(73) at 7.981 36.205 17.931 in (null):G-9999 (10) other bump:2.32946 Ang OE1(32) at 9.15967 34.712 16.2703 in (null):E-9999 (4) and C(72) at 7.784 36.551 16.66 in (null):P-9999 (9) other bump:2.38506 Ang CD(31) at 9.93249 35.6792 16.1009 in (null):E-9999 (4) and C(72) at 7.784 36.551 16.66 in (null):P-9999 (9) other bump:2.16349 Ang OE2(33) at 9.9356 36.6845 16.8431 in (null):E-9999 (4) and C(72) at 7.784 36.551 16.66 in (null):P-9999 (9) other bump:1.92184 Ang OE1(32) at 9.15967 34.712 16.2703 in (null):E-9999 (4) and O(71) at 7.605 35.72 15.76 in (null):P-9999 (9) other bump:2.35268 Ang CD(31) at 9.93249 35.6792 16.1009 in (null):E-9999 (4) and O(71) at 7.605 35.72 15.76 in (null):P-9999 (9) self-bump: 1.28459 Ang N(66) at 8.103 38.886 17.528 in (null):P-9999 (9) and CD(70) at 8.82975 39.9452 17.528 in (null):P-9999 (9) neighbor-bump: 1.93523 Ang C(65) at 7.193 39.359 18.378 in (null):A-9999 (8) and CD(70) at 8.82975 39.9452 17.528 in (null):P-9999 (9) neighbor-bump: 2.28224 Ang N(61) at 9.141 40.196 19.775 in (null):A-9999 (8) and CD(70) at 8.82975 39.9452 17.528 in (null):P-9999 (9) neighbor-bump: 2.34293 Ang CA(62) at 7.701 40.194 19.566 in (null):A-9999 (8) and CD(70) at 8.82975 39.9452 17.528 in (null):P-9999 (9) other bump:2.60733 Ang O(48) at 11.235 38.939 17.507 in (null):V-9999 (6) and CD(70) at 8.82975 39.9452 17.528 in (null):P-9999 (9) other bump:2.8817 Ang C(60) at 9.844 39.12 20.096 in (null):F-9999 (7) and CD(70) at 8.82975 39.9452 17.528 in (null):P-9999 (9) other bump:2.79665 Ang CG2(47) at 10.3099 41.7341 15.969 in (null):V-9999 (6) and CD(70) at 8.82975 39.9452 17.528 in (null):P-9999 (9) other bump:2.98568 Ang C(49) at 11.786 39.958 17.946 in (null):V-9999 (6) and CD(70) at 8.82975 39.9452 17.528 in (null):P-9999 (9) self-bump: 2.15513 Ang N(66) at 8.103 38.886 17.528 in (null):P-9999 (9) and CG(69) at 9.09765 40.0882 16.0414 in (null):P-9999 (9) other bump:2.0454 Ang CG2(47) at 10.3099 41.7341 15.969 in (null):V-9999 (6) and CG(69) at 9.09765 40.0882 16.0414 in (null):P-9999 (9) other bump:3.19795 Ang CD(31) at 9.93249 35.6792 16.1009 in (null):E-9999 (4) and CB(68) at 9.01681 38.6874 15.5182 in (null):P-9999 (9) other bump:2.57121 Ang OE2(33) at 9.9356 36.6845 16.8431 in (null):E-9999 (4) and CB(68) at 9.01681 38.6874 15.5182 in (null):P-9999 (9) other bump:3.25242 Ang CD(31) at 9.93249 35.6792 16.1009 in (null):E-9999 (4) and CA(67) at 7.722 38.049 16.377 in (null):P-9999 (9) other bump:2.64182 Ang OE2(33) at 9.9356 36.6845 16.8431 in (null):E-9999 (4) and CA(67) at 7.722 38.049 16.377 in (null):P-9999 (9) Number of specific fragments= 1 total=1365 # 1otcA.99.100 read from T0147_twice.t2k.frag # found chain 1otcA in template set T0147_twice 99 :GFHEPVFAP 1otcA 101 :VLYAKRFED Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57584 Ang OE1(32) at 9.0436 35.4258 16.086 in (null):E-9999 (4) and CA(74) at 8.135 35.347 18.495 in (null):G-9999 (10) other bump:3.19501 Ang CD(31) at 9.84493 36.381 16.002 in (null):E-9999 (4) and CA(74) at 8.135 35.347 18.495 in (null):G-9999 (10) other bump:2.74514 Ang CD(31) at 9.84493 36.381 16.002 in (null):E-9999 (4) and N(73) at 8.101 36.748 18.09 in (null):G-9999 (10) other bump:2.24662 Ang OE2(33) at 9.8159 37.3622 16.775 in (null):E-9999 (4) and N(73) at 8.101 36.748 18.09 in (null):G-9999 (10) other bump:2.36798 Ang OE1(32) at 9.0436 35.4258 16.086 in (null):E-9999 (4) and C(72) at 7.609 37.119 16.912 in (null):P-9999 (9) other bump:2.52432 Ang CD(31) at 9.84493 36.381 16.002 in (null):E-9999 (4) and C(72) at 7.609 37.119 16.912 in (null):P-9999 (9) other bump:2.22448 Ang OE2(33) at 9.8159 37.3622 16.775 in (null):E-9999 (4) and C(72) at 7.609 37.119 16.912 in (null):P-9999 (9) other bump:2.08201 Ang OE1(32) at 9.0436 35.4258 16.086 in (null):E-9999 (4) and O(71) at 7.162 36.317 16.092 in (null):P-9999 (9) other bump:2.6852 Ang CD(31) at 9.84493 36.381 16.002 in (null):E-9999 (4) and O(71) at 7.162 36.317 16.092 in (null):P-9999 (9) self-bump: 1.31166 Ang N(66) at 8.02 39.474 17.711 in (null):P-9999 (9) and CD(70) at 8.90095 40.4442 17.6556 in (null):P-9999 (9) neighbor-bump: 2.08244 Ang C(65) at 7.133 39.893 18.608 in (null):A-9999 (8) and CD(70) at 8.90095 40.4442 17.6556 in (null):P-9999 (9) neighbor-bump: 2.28878 Ang N(61) at 9.096 40.831 19.903 in (null):A-9999 (8) and CD(70) at 8.90095 40.4442 17.6556 in (null):P-9999 (9) neighbor-bump: 2.44716 Ang CA(62) at 7.645 40.803 19.725 in (null):A-9999 (8) and CD(70) at 8.90095 40.4442 17.6556 in (null):P-9999 (9) other bump:2.57025 Ang O(48) at 11.305 39.536 17.699 in (null):V-9999 (6) and CD(70) at 8.90095 40.4442 17.6556 in (null):P-9999 (9) other bump:2.88484 Ang C(60) at 9.795 39.777 20.316 in (null):F-9999 (7) and CD(70) at 8.90095 40.4442 17.6556 in (null):P-9999 (9) other bump:2.83204 Ang CG2(47) at 10.38 42.3166 16.1301 in (null):V-9999 (6) and CD(70) at 8.90095 40.4442 17.6556 in (null):P-9999 (9) other bump:2.96699 Ang C(49) at 11.825 40.56 18.145 in (null):V-9999 (6) and CD(70) at 8.90095 40.4442 17.6556 in (null):P-9999 (9) self-bump: 2.18059 Ang N(66) at 8.02 39.474 17.711 in (null):P-9999 (9) and CG(69) at 9.15979 40.5012 16.1616 in (null):P-9999 (9) other bump:2.18758 Ang CG2(47) at 10.38 42.3166 16.1301 in (null):V-9999 (6) and CG(69) at 9.15979 40.5012 16.1616 in (null):P-9999 (9) other bump:2.88024 Ang CD(31) at 9.84493 36.381 16.002 in (null):E-9999 (4) and CB(68) at 8.933 39.0959 15.6966 in (null):P-9999 (9) other bump:2.22445 Ang OE2(33) at 9.8159 37.3622 16.775 in (null):E-9999 (4) and CB(68) at 8.933 39.0959 15.6966 in (null):P-9999 (9) other bump:3.20237 Ang CD(31) at 9.84493 36.381 16.002 in (null):E-9999 (4) and CA(67) at 7.626 38.612 16.597 in (null):P-9999 (9) other bump:2.52771 Ang OE2(33) at 9.8159 37.3622 16.775 in (null):E-9999 (4) and CA(67) at 7.626 38.612 16.597 in (null):P-9999 (9) Number of specific fragments= 1 total=1366 # 1ds9A.99.100 read from T0147_twice.t2k.frag # found chain 1ds9A in template set T0147_twice 99 :GFHEPVFAP 1ds9A 101 :SYNQIASLS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.97635 Ang C(42) at 0.837 -9.99 -3.747 in (null):P-9999 (5) and CG1(46) at 0.963026 -12.9448 -4.08143 in (null):V-9999 (6) neighbor-bump: 2.44238 Ang CA(28) at 1.898 -9.278 0.871 in (null):E-9999 (4) and CD(40) at 1.92116 -7.87121 -1.12541 in (null):P-9999 (5) neighbor-bump: 1.94149 Ang C(35) at 0.854 -9.234 -0.246 in (null):E-9999 (4) and CD(40) at 1.92116 -7.87121 -1.12541 in (null):P-9999 (5) Number of specific fragments= 1 total=1367 # 1yasA.100.101 read from T0147_twice.t2k.frag # found chain 1yasA in template set T0147_twice 100 :FHEPVFAPH 1yasA 102 :FHNSVLPDT Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80081 Ang N(13) at 19.235 42.281 16.545 in (null):H-9999 (2) and CD(36) at 18.9153 43.9101 18.8007 in (null):P-9999 (4) other bump:3.04185 Ang CA(14) at 20.249 43.237 16.151 in (null):H-9999 (2) and CD(36) at 18.9153 43.9101 18.8007 in (null):P-9999 (4) other bump:3.09351 Ang C(12) at 19.434 41.233 17.34 in (null):F-9999 (1) and CD(36) at 18.9153 43.9101 18.8007 in (null):P-9999 (4) other bump:2.3884 Ang C(22) at 19.915 44.617 16.75 in (null):H-9999 (2) and CD(36) at 18.9153 43.9101 18.8007 in (null):P-9999 (4) neighbor-bump: 2.22683 Ang N(23) at 20.613 44.986 17.842 in (null):E-9999 (3) and CD(36) at 18.9153 43.9101 18.8007 in (null):P-9999 (4) other bump:2.88299 Ang CA(3) at 18.253 40.292 17.557 in (null):F-9999 (1) and CG(35) at 17.7844 42.8905 18.7146 in (null):P-9999 (4) other bump:2.73579 Ang CB(4) at 17.887 40.178 19.056 in (null):F-9999 (1) and CG(35) at 17.7844 42.8905 18.7146 in (null):P-9999 (4) other bump:2.68009 Ang N(13) at 19.235 42.281 16.545 in (null):H-9999 (2) and CG(35) at 17.7844 42.8905 18.7146 in (null):P-9999 (4) other bump:2.71255 Ang C(12) at 19.434 41.233 17.34 in (null):F-9999 (1) and CG(35) at 17.7844 42.8905 18.7146 in (null):P-9999 (4) Number of specific fragments= 1 total=1368 # 1qj4A.100.101 read from T0147_twice.t2k.frag # found chain 1qj4A in template set T0147_twice 100 :FHEPVFAPH 1qj4A 102 :FHNSVLPDT Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05365 Ang CZ(10) at 14.508 36.664 19.584 in (null):F-9999 (1) and CE1(52) at 14.9772 35.9417 22.5137 in (null):F-9999 (6) other bump:3.18681 Ang CE1(8) at 15.777 36.12 19.434 in (null):F-9999 (1) and CE1(52) at 14.9772 35.9417 22.5137 in (null):F-9999 (6) other bump:3.03629 Ang CZ(10) at 14.508 36.664 19.584 in (null):F-9999 (1) and CD1(50) at 15.0448 37.3485 22.493 in (null):F-9999 (6) other bump:2.59463 Ang N(13) at 19.259 41.44 16.663 in (null):H-9999 (2) and CD(36) at 18.8655 42.8929 18.7764 in (null):P-9999 (4) other bump:2.96525 Ang CA(14) at 20.269 42.391 16.213 in (null):H-9999 (2) and CD(36) at 18.8655 42.8929 18.7764 in (null):P-9999 (4) other bump:3.00969 Ang C(12) at 19.479 40.323 17.335 in (null):F-9999 (1) and CD(36) at 18.8655 42.8929 18.7764 in (null):P-9999 (4) other bump:2.38853 Ang C(22) at 20.008 43.732 16.854 in (null):H-9999 (2) and CD(36) at 18.8655 42.8929 18.7764 in (null):P-9999 (4) neighbor-bump: 2.34427 Ang N(23) at 20.71 44.077 17.945 in (null):E-9999 (3) and CD(36) at 18.8655 42.8929 18.7764 in (null):P-9999 (4) other bump:2.82566 Ang CA(3) at 18.288 39.402 17.577 in (null):F-9999 (1) and CG(35) at 17.6682 41.9672 18.5871 in (null):P-9999 (4) other bump:2.78651 Ang CB(4) at 17.934 39.235 19.066 in (null):F-9999 (1) and CG(35) at 17.6682 41.9672 18.5871 in (null):P-9999 (4) other bump:2.55156 Ang N(13) at 19.259 41.44 16.663 in (null):H-9999 (2) and CG(35) at 17.6682 41.9672 18.5871 in (null):P-9999 (4) other bump:2.74768 Ang C(12) at 19.479 40.323 17.335 in (null):F-9999 (1) and CG(35) at 17.6682 41.9672 18.5871 in (null):P-9999 (4) Number of specific fragments= 1 total=1369 # 1fnf.100.100 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 100 :FHEPVFAPH 1fnf 1242 :LRFTNIGPD Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.984695 Ang CD(27) at 16.5898 -2.18552 11.0308 in (null):E-9999 (3) and CZ(54) at 17.2958 -1.59516 10.6806 in (null):F-9999 (6) other bump:1.39907 Ang OE1(28) at 16.457 -1.1291 11.6988 in (null):E-9999 (3) and CZ(54) at 17.2958 -1.59516 10.6806 in (null):F-9999 (6) other bump:1.82909 Ang OE2(29) at 15.8194 -2.50678 10.1018 in (null):E-9999 (3) and CZ(54) at 17.2958 -1.59516 10.6806 in (null):F-9999 (6) other bump:2.63187 Ang CB(25) at 18.3635 -2.92873 12.6827 in (null):E-9999 (3) and CZ(54) at 17.2958 -1.59516 10.6806 in (null):F-9999 (6) other bump:1.71548 Ang CG(26) at 17.7647 -3.11718 11.3181 in (null):E-9999 (3) and CZ(54) at 17.2958 -1.59516 10.6806 in (null):F-9999 (6) other bump:2.00683 Ang CD(27) at 16.5898 -2.18552 11.0308 in (null):E-9999 (3) and CE2(53) at 16.8343 -0.470308 10.0181 in (null):F-9999 (6) other bump:1.8442 Ang OE1(28) at 16.457 -1.1291 11.6988 in (null):E-9999 (3) and CE2(53) at 16.8343 -0.470308 10.0181 in (null):F-9999 (6) other bump:2.27686 Ang OE2(29) at 15.8194 -2.50678 10.1018 in (null):E-9999 (3) and CE2(53) at 16.8343 -0.470308 10.0181 in (null):F-9999 (6) other bump:3.09222 Ang CG(26) at 17.7647 -3.11718 11.3181 in (null):E-9999 (3) and CE2(53) at 16.8343 -0.470308 10.0181 in (null):F-9999 (6) other bump:1.77047 Ang CD(27) at 16.5898 -2.18552 11.0308 in (null):E-9999 (3) and CE1(52) at 17.9277 -2.62305 9.95695 in (null):F-9999 (6) other bump:2.72555 Ang OE1(28) at 16.457 -1.1291 11.6988 in (null):E-9999 (3) and CE1(52) at 17.9277 -2.62305 9.95695 in (null):F-9999 (6) other bump:2.1164 Ang OE2(29) at 15.8194 -2.50678 10.1018 in (null):E-9999 (3) and CE1(52) at 17.9277 -2.62305 9.95695 in (null):F-9999 (6) other bump:2.77722 Ang CB(25) at 18.3635 -2.92873 12.6827 in (null):E-9999 (3) and CE1(52) at 17.9277 -2.62305 9.95695 in (null):F-9999 (6) other bump:1.45725 Ang CG(26) at 17.7647 -3.11718 11.3181 in (null):E-9999 (3) and CE1(52) at 17.9277 -2.62305 9.95695 in (null):F-9999 (6) other bump:3.03891 Ang CD(27) at 16.5898 -2.18552 11.0308 in (null):E-9999 (3) and CD2(51) at 17.0048 -0.365198 8.63305 in (null):F-9999 (6) other bump:2.90236 Ang CD(27) at 16.5898 -2.18552 11.0308 in (null):E-9999 (3) and CD1(50) at 18.0921 -2.50478 8.56813 in (null):F-9999 (6) other bump:2.74178 Ang OE2(29) at 15.8194 -2.50678 10.1018 in (null):E-9999 (3) and CD1(50) at 18.0921 -2.50478 8.56813 in (null):F-9999 (6) neighbor-bump: 2.0443 Ang C(31) at 20.686 -3.036 11.758 in (null):E-9999 (3) and CD(36) at 21.5421 -4.89186 11.7136 in (null):P-9999 (4) Number of specific fragments= 1 total=1370 # 1aun.100.100 read from T0147_twice.t2k.frag # found chain 1aun in template set T0147_twice 100 :FHEPVFAPH 1aun 101 :VIDGFNIPM Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50356 Ang CD1(6) at 16.0989 19.6599 11.3938 in (null):F-9999 (1) and CG2(43) at 14.2825 21.3825 11.355 in (null):V-9999 (5) other bump:3.08911 Ang CE1(8) at 15.9627 19.0887 10.1474 in (null):F-9999 (1) and CG2(43) at 14.2825 21.3825 11.355 in (null):V-9999 (5) self-bump: 1.39664 Ang N(32) at 17.77 24.115 14.603 in (null):P-9999 (4) and CD(36) at 18.81 25.0373 14.7388 in (null):P-9999 (4) neighbor-bump: 2.6027 Ang N(23) at 19.771 22.999 16.041 in (null):E-9999 (3) and CD(36) at 18.81 25.0373 14.7388 in (null):P-9999 (4) neighbor-bump: 1.5786 Ang CA(24) at 19.961 24.367 15.586 in (null):E-9999 (3) and CD(36) at 18.81 25.0373 14.7388 in (null):P-9999 (4) neighbor-bump: 2.7347 Ang CB(25) at 21.4285 24.2714 14.9259 in (null):E-9999 (3) and CD(36) at 18.81 25.0373 14.7388 in (null):P-9999 (4) neighbor-bump: 1.31097 Ang O(30) at 19.223 25.498 13.583 in (null):E-9999 (3) and CD(36) at 18.81 25.0373 14.7388 in (null):P-9999 (4) neighbor-bump: 0.423046 Ang C(31) at 18.948 24.718 14.498 in (null):E-9999 (3) and CD(36) at 18.81 25.0373 14.7388 in (null):P-9999 (4) neighbor-bump: 2.99176 Ang CA(24) at 19.961 24.367 15.586 in (null):E-9999 (3) and CG(35) at 18.1395 26.3245 14.2441 in (null):P-9999 (4) neighbor-bump: 1.5147 Ang O(30) at 19.223 25.498 13.583 in (null):E-9999 (3) and CG(35) at 18.1395 26.3245 14.2441 in (null):P-9999 (4) neighbor-bump: 1.81636 Ang C(31) at 18.948 24.718 14.498 in (null):E-9999 (3) and CG(35) at 18.1395 26.3245 14.2441 in (null):P-9999 (4) neighbor-bump: 2.09522 Ang O(30) at 19.223 25.498 13.583 in (null):E-9999 (3) and CB(34) at 17.2087 25.865 13.1383 in (null):P-9999 (4) neighbor-bump: 2.48789 Ang C(31) at 18.948 24.718 14.498 in (null):E-9999 (3) and CB(34) at 17.2087 25.865 13.1383 in (null):P-9999 (4) Number of specific fragments= 1 total=1371 # 1jb7A.100.101 read from T0147_twice.t2k.frag # found chain 1jb7A in template set T0147_twice 100 :FHEPVFAPH 1jb7A 102 :LYAKRFEDL Fragment has 44 clashes (null) has 44 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70502 Ang CB(25) at 12.1294 36.519 15.1652 in (null):E-9999 (3) and NE2(76) at 12.1191 34.1758 16.5166 in (null):H-9999 (9) other bump:2.44908 Ang CG(26) at 10.9182 35.6245 14.9491 in (null):E-9999 (3) and NE2(76) at 12.1191 34.1758 16.5166 in (null):H-9999 (9) other bump:2.68596 Ang CD(27) at 9.93249 35.6792 16.1009 in (null):E-9999 (3) and NE2(76) at 12.1191 34.1758 16.5166 in (null):H-9999 (9) other bump:1.91457 Ang CB(25) at 12.1294 36.519 15.1652 in (null):E-9999 (3) and CE1(75) at 12.1741 35.4567 16.7574 in (null):H-9999 (9) other bump:2.20803 Ang CG(26) at 10.9182 35.6245 14.9491 in (null):E-9999 (3) and CE1(75) at 12.1741 35.4567 16.7574 in (null):H-9999 (9) other bump:2.34637 Ang CD(27) at 9.93249 35.6792 16.1009 in (null):E-9999 (3) and CE1(75) at 12.1741 35.4567 16.7574 in (null):H-9999 (9) other bump:2.55456 Ang OE2(29) at 9.9356 36.6845 16.8431 in (null):E-9999 (3) and CE1(75) at 12.1741 35.4567 16.7574 in (null):H-9999 (9) other bump:3.08804 Ang CA(24) at 13.217 36.391 14.005 in (null):E-9999 (3) and CE1(75) at 12.1741 35.4567 16.7574 in (null):H-9999 (9) other bump:2.73879 Ang CB(25) at 12.1294 36.519 15.1652 in (null):E-9999 (3) and ND1(74) at 11.2505 35.7593 17.6454 in (null):H-9999 (9) other bump:2.72004 Ang CG(26) at 10.9182 35.6245 14.9491 in (null):E-9999 (3) and ND1(74) at 11.2505 35.7593 17.6454 in (null):H-9999 (9) other bump:2.03202 Ang CD(27) at 9.93249 35.6792 16.1009 in (null):E-9999 (3) and ND1(74) at 11.2505 35.7593 17.6454 in (null):H-9999 (9) other bump:1.79685 Ang OE2(29) at 9.9356 36.6845 16.8431 in (null):E-9999 (3) and ND1(74) at 11.2505 35.7593 17.6454 in (null):H-9999 (9) other bump:2.47754 Ang OE1(28) at 9.15967 34.712 16.2703 in (null):E-9999 (3) and CD2(73) at 11.1401 33.5981 17.258 in (null):H-9999 (9) other bump:3.08002 Ang CG(26) at 10.9182 35.6245 14.9491 in (null):E-9999 (3) and CD2(73) at 11.1401 33.5981 17.258 in (null):H-9999 (9) other bump:2.66986 Ang CD(27) at 9.93249 35.6792 16.1009 in (null):E-9999 (3) and CD2(73) at 11.1401 33.5981 17.258 in (null):H-9999 (9) other bump:2.22289 Ang OE1(28) at 9.15967 34.712 16.2703 in (null):E-9999 (3) and CG(72) at 10.5694 34.5785 17.9838 in (null):H-9999 (9) other bump:2.27209 Ang CD(27) at 9.93249 35.6792 16.1009 in (null):E-9999 (3) and CG(72) at 10.5694 34.5785 17.9838 in (null):H-9999 (9) other bump:2.47745 Ang OE2(29) at 9.9356 36.6845 16.8431 in (null):E-9999 (3) and CG(72) at 10.5694 34.5785 17.9838 in (null):H-9999 (9) other bump:2.73163 Ang OE1(28) at 9.15967 34.712 16.2703 in (null):E-9999 (3) and CB(71) at 9.4266 34.5372 18.9832 in (null):H-9999 (9) other bump:3.14129 Ang CD(27) at 9.93249 35.6792 16.1009 in (null):E-9999 (3) and CB(71) at 9.4266 34.5372 18.9832 in (null):H-9999 (9) other bump:2.33062 Ang OE1(28) at 9.15967 34.712 16.2703 in (null):E-9999 (3) and CA(70) at 8.076 34.816 18.331 in (null):H-9999 (9) other bump:3.02738 Ang CD(27) at 9.93249 35.6792 16.1009 in (null):E-9999 (3) and CA(70) at 8.076 34.816 18.331 in (null):H-9999 (9) other bump:2.52517 Ang OE1(28) at 9.15967 34.712 16.2703 in (null):E-9999 (3) and N(69) at 7.981 36.205 17.931 in (null):H-9999 (9) other bump:2.72652 Ang CD(27) at 9.93249 35.6792 16.1009 in (null):E-9999 (3) and N(69) at 7.981 36.205 17.931 in (null):H-9999 (9) other bump:2.28778 Ang OE2(29) at 9.9356 36.6845 16.8431 in (null):E-9999 (3) and N(69) at 7.981 36.205 17.931 in (null):H-9999 (9) other bump:2.32946 Ang OE1(28) at 9.15967 34.712 16.2703 in (null):E-9999 (3) and C(68) at 7.784 36.551 16.66 in (null):P-9999 (8) other bump:2.38506 Ang CD(27) at 9.93249 35.6792 16.1009 in (null):E-9999 (3) and C(68) at 7.784 36.551 16.66 in (null):P-9999 (8) other bump:2.16349 Ang OE2(29) at 9.9356 36.6845 16.8431 in (null):E-9999 (3) and C(68) at 7.784 36.551 16.66 in (null):P-9999 (8) other bump:1.92185 Ang OE1(28) at 9.15967 34.712 16.2703 in (null):E-9999 (3) and O(67) at 7.605 35.72 15.76 in (null):P-9999 (8) other bump:2.35268 Ang CD(27) at 9.93249 35.6792 16.1009 in (null):E-9999 (3) and O(67) at 7.605 35.72 15.76 in (null):P-9999 (8) self-bump: 1.28459 Ang N(62) at 8.103 38.886 17.528 in (null):P-9999 (8) and CD(66) at 8.82975 39.9452 17.528 in (null):P-9999 (8) neighbor-bump: 2.28225 Ang N(57) at 9.141 40.196 19.775 in (null):A-9999 (7) and CD(66) at 8.82975 39.9452 17.528 in (null):P-9999 (8) neighbor-bump: 2.34293 Ang CA(58) at 7.701 40.194 19.566 in (null):A-9999 (7) and CD(66) at 8.82975 39.9452 17.528 in (null):P-9999 (8) neighbor-bump: 1.93523 Ang C(61) at 7.193 39.359 18.378 in (null):A-9999 (7) and CD(66) at 8.82975 39.9452 17.528 in (null):P-9999 (8) other bump:2.60733 Ang O(44) at 11.235 38.939 17.507 in (null):V-9999 (5) and CD(66) at 8.82975 39.9452 17.528 in (null):P-9999 (8) other bump:2.88171 Ang C(56) at 9.844 39.12 20.096 in (null):F-9999 (6) and CD(66) at 8.82975 39.9452 17.528 in (null):P-9999 (8) other bump:2.79665 Ang CG2(43) at 10.3099 41.7341 15.969 in (null):V-9999 (5) and CD(66) at 8.82975 39.9452 17.528 in (null):P-9999 (8) other bump:2.98568 Ang C(45) at 11.786 39.958 17.946 in (null):V-9999 (5) and CD(66) at 8.82975 39.9452 17.528 in (null):P-9999 (8) self-bump: 2.15513 Ang N(62) at 8.103 38.886 17.528 in (null):P-9999 (8) and CG(65) at 9.09765 40.0882 16.0414 in (null):P-9999 (8) other bump:2.0454 Ang CG2(43) at 10.3099 41.7341 15.969 in (null):V-9999 (5) and CG(65) at 9.09765 40.0882 16.0414 in (null):P-9999 (8) other bump:3.19796 Ang CD(27) at 9.93249 35.6792 16.1009 in (null):E-9999 (3) and CB(64) at 9.01681 38.6874 15.5182 in (null):P-9999 (8) other bump:2.57122 Ang OE2(29) at 9.9356 36.6845 16.8431 in (null):E-9999 (3) and CB(64) at 9.01681 38.6874 15.5182 in (null):P-9999 (8) other bump:3.25242 Ang CD(27) at 9.93249 35.6792 16.1009 in (null):E-9999 (3) and CA(63) at 7.722 38.049 16.377 in (null):P-9999 (8) other bump:2.64182 Ang OE2(29) at 9.9356 36.6845 16.8431 in (null):E-9999 (3) and CA(63) at 7.722 38.049 16.377 in (null):P-9999 (8) Number of specific fragments= 1 total=1372 # 1qs0A.100.100 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 100 :FHEPVFAPH 1qs0A 102 :KMSFYMQSL Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.97386 Ang C(61) at -5.646 -26.509 101.275 in (null):A-9999 (7) and CD(66) at -4.27668 -27.9043 101.002 in (null):P-9999 (8) self-bump: 1.3875 Ang N(62) at -5.08 -27.088 100.219 in (null):P-9999 (8) and CD(66) at -4.27668 -27.9043 101.002 in (null):P-9999 (8) neighbor-bump: 2.38021 Ang CA(58) at -6.186 -27.453 102.35 in (null):A-9999 (7) and CD(66) at -4.27668 -27.9043 101.002 in (null):P-9999 (8) self-bump: 2.21079 Ang N(62) at -5.08 -27.088 100.219 in (null):P-9999 (8) and CG(65) at -3.09239 -28.0473 100.089 in (null):P-9999 (8) other bump:2.88225 Ang CE1(19) at -4.45711 -29.2737 112.547 in (null):H-9999 (2) and C(38) at -6.396 -27.376 111.574 in (null):P-9999 (4) other bump:1.94915 Ang CE1(19) at -4.45711 -29.2737 112.547 in (null):H-9999 (2) and O(37) at -5.219 -27.678 111.727 in (null):P-9999 (4) neighbor-bump: 2.13922 Ang CA(24) at -7.247 -28.79 116.186 in (null):E-9999 (3) and CD(36) at -6.56494 -27.0737 115.106 in (null):P-9999 (4) neighbor-bump: 2.29661 Ang CB(25) at -6.83069 -27.8983 117.233 in (null):E-9999 (3) and CD(36) at -6.56494 -27.0737 115.106 in (null):P-9999 (4) neighbor-bump: 2.29521 Ang O(30) at -8.832 -27.423 115.026 in (null):E-9999 (3) and CD(36) at -6.56494 -27.0737 115.106 in (null):P-9999 (4) neighbor-bump: 1.47016 Ang C(31) at -7.727 -27.967 114.992 in (null):E-9999 (3) and CD(36) at -6.56494 -27.0737 115.106 in (null):P-9999 (4) neighbor-bump: 1.98226 Ang CG(26) at -5.62852 -27.0973 116.853 in (null):E-9999 (3) and CD(36) at -6.56494 -27.0737 115.106 in (null):P-9999 (4) neighbor-bump: 2.37435 Ang O(30) at -8.832 -27.423 115.026 in (null):E-9999 (3) and CG(35) at -7.17446 -25.743 114.766 in (null):P-9999 (4) neighbor-bump: 2.30274 Ang C(31) at -7.727 -27.967 114.992 in (null):E-9999 (3) and CG(35) at -7.17446 -25.743 114.766 in (null):P-9999 (4) neighbor-bump: 2.92957 Ang CG(26) at -5.62852 -27.0973 116.853 in (null):E-9999 (3) and CG(35) at -7.17446 -25.743 114.766 in (null):P-9999 (4) Number of specific fragments= 1 total=1373 # 1yasA.101.102 read from T0147_twice.t2k.frag # found chain 1yasA in template set T0147_twice 101 :HEPVFAPHD 1yasA 103 :HNSVLPDTE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80081 Ang N(2) at 19.235 42.281 16.545 in (null):H-9999 (1) and CD(25) at 18.9153 43.9101 18.8007 in (null):P-9999 (3) other bump:3.04185 Ang CA(3) at 20.249 43.237 16.151 in (null):H-9999 (1) and CD(25) at 18.9153 43.9101 18.8007 in (null):P-9999 (3) other bump:3.09351 Ang C(1) at 19.434 41.233 17.34 in (null):G-9999 (0) and CD(25) at 18.9153 43.9101 18.8007 in (null):P-9999 (3) other bump:2.3884 Ang C(11) at 19.915 44.617 16.75 in (null):H-9999 (1) and CD(25) at 18.9153 43.9101 18.8007 in (null):P-9999 (3) neighbor-bump: 2.22683 Ang N(12) at 20.613 44.986 17.842 in (null):E-9999 (2) and CD(25) at 18.9153 43.9101 18.8007 in (null):P-9999 (3) other bump:2.68009 Ang N(2) at 19.235 42.281 16.545 in (null):H-9999 (1) and CG(24) at 17.7844 42.8905 18.7146 in (null):P-9999 (3) other bump:2.71255 Ang C(1) at 19.434 41.233 17.34 in (null):G-9999 (0) and CG(24) at 17.7844 42.8905 18.7146 in (null):P-9999 (3) Number of specific fragments= 1 total=1374 # 1qj4A.101.102 read from T0147_twice.t2k.frag # found chain 1qj4A in template set T0147_twice 101 :HEPVFAPHD 1qj4A 103 :HNSVLPDTE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59463 Ang N(2) at 19.259 41.44 16.663 in (null):H-9999 (1) and CD(25) at 18.8655 42.8929 18.7764 in (null):P-9999 (3) other bump:2.96525 Ang CA(3) at 20.269 42.391 16.213 in (null):H-9999 (1) and CD(25) at 18.8655 42.8929 18.7764 in (null):P-9999 (3) other bump:2.38853 Ang C(11) at 20.008 43.732 16.854 in (null):H-9999 (1) and CD(25) at 18.8655 42.8929 18.7764 in (null):P-9999 (3) other bump:3.00969 Ang C(1) at 19.479 40.323 17.335 in (null):G-9999 (0) and CD(25) at 18.8655 42.8929 18.7764 in (null):P-9999 (3) neighbor-bump: 2.34427 Ang N(12) at 20.71 44.077 17.945 in (null):E-9999 (2) and CD(25) at 18.8655 42.8929 18.7764 in (null):P-9999 (3) other bump:2.55156 Ang N(2) at 19.259 41.44 16.663 in (null):H-9999 (1) and CG(24) at 17.6682 41.9672 18.5871 in (null):P-9999 (3) other bump:2.74768 Ang C(1) at 19.479 40.323 17.335 in (null):G-9999 (0) and CG(24) at 17.6682 41.9672 18.5871 in (null):P-9999 (3) Number of specific fragments= 1 total=1375 # 1qs0A.101.101 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 101 :HEPVFAPHD 1qs0A 103 :MSFYMQSLG Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3875 Ang N(51) at -5.08 -27.088 100.219 in (null):P-9999 (7) and CD(55) at -4.27668 -27.9043 101.002 in (null):P-9999 (7) neighbor-bump: 2.38021 Ang CA(47) at -6.186 -27.453 102.35 in (null):A-9999 (6) and CD(55) at -4.27668 -27.9043 101.002 in (null):P-9999 (7) neighbor-bump: 1.97386 Ang C(50) at -5.646 -26.509 101.275 in (null):A-9999 (6) and CD(55) at -4.27668 -27.9043 101.002 in (null):P-9999 (7) self-bump: 2.21079 Ang N(51) at -5.08 -27.088 100.219 in (null):P-9999 (7) and CG(54) at -3.09239 -28.0473 100.089 in (null):P-9999 (7) other bump:2.88226 Ang CE1(8) at -4.45711 -29.2737 112.547 in (null):H-9999 (1) and C(27) at -6.396 -27.376 111.574 in (null):P-9999 (3) other bump:1.94916 Ang CE1(8) at -4.45711 -29.2737 112.547 in (null):H-9999 (1) and O(26) at -5.219 -27.678 111.727 in (null):P-9999 (3) neighbor-bump: 2.13922 Ang CA(13) at -7.247 -28.79 116.186 in (null):E-9999 (2) and CD(25) at -6.56494 -27.0737 115.106 in (null):P-9999 (3) neighbor-bump: 2.2966 Ang CB(14) at -6.83069 -27.8983 117.233 in (null):E-9999 (2) and CD(25) at -6.56494 -27.0737 115.106 in (null):P-9999 (3) neighbor-bump: 2.29521 Ang O(19) at -8.832 -27.423 115.026 in (null):E-9999 (2) and CD(25) at -6.56494 -27.0737 115.106 in (null):P-9999 (3) neighbor-bump: 1.47016 Ang C(20) at -7.727 -27.967 114.992 in (null):E-9999 (2) and CD(25) at -6.56494 -27.0737 115.106 in (null):P-9999 (3) neighbor-bump: 1.98226 Ang CG(15) at -5.62852 -27.0973 116.853 in (null):E-9999 (2) and CD(25) at -6.56494 -27.0737 115.106 in (null):P-9999 (3) neighbor-bump: 2.37435 Ang O(19) at -8.832 -27.423 115.026 in (null):E-9999 (2) and CG(24) at -7.17446 -25.743 114.766 in (null):P-9999 (3) neighbor-bump: 2.30274 Ang C(20) at -7.727 -27.967 114.992 in (null):E-9999 (2) and CG(24) at -7.17446 -25.743 114.766 in (null):P-9999 (3) neighbor-bump: 2.92958 Ang CG(15) at -5.62852 -27.0973 116.853 in (null):E-9999 (2) and CG(24) at -7.17446 -25.743 114.766 in (null):P-9999 (3) Number of specific fragments= 1 total=1376 # 1fnf.101.101 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 101 :HEPVFAPHD 1fnf 1243 :RFTNIGPDT Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.85754 Ang CB(48) at 17.0684 -4.42137 1.62163 in (null):A-9999 (6) and OD1(72) at 16.831 -6.19447 2.12185 in (null):D-9999 (9) other bump:3.08364 Ang CB(48) at 17.0684 -4.42137 1.62163 in (null):A-9999 (6) and CG(71) at 16.8715 -7.43936 2.2231 in (null):D-9999 (9) other bump:1.82908 Ang OE2(18) at 15.8194 -2.50676 10.1018 in (null):E-9999 (2) and CZ(43) at 17.2958 -1.59516 10.6806 in (null):F-9999 (5) other bump:0.984677 Ang CD(16) at 16.5898 -2.18551 11.0308 in (null):E-9999 (2) and CZ(43) at 17.2958 -1.59516 10.6806 in (null):F-9999 (5) other bump:1.39906 Ang OE1(17) at 16.457 -1.12909 11.6987 in (null):E-9999 (2) and CZ(43) at 17.2958 -1.59516 10.6806 in (null):F-9999 (5) other bump:2.63186 Ang CB(14) at 18.3635 -2.92872 12.6827 in (null):E-9999 (2) and CZ(43) at 17.2958 -1.59516 10.6806 in (null):F-9999 (5) other bump:1.71547 Ang CG(15) at 17.7647 -3.11717 11.3181 in (null):E-9999 (2) and CZ(43) at 17.2958 -1.59516 10.6806 in (null):F-9999 (5) other bump:2.27684 Ang OE2(18) at 15.8194 -2.50676 10.1018 in (null):E-9999 (2) and CE2(42) at 16.8343 -0.470311 10.0181 in (null):F-9999 (5) other bump:2.00681 Ang CD(16) at 16.5898 -2.18551 11.0308 in (null):E-9999 (2) and CE2(42) at 16.8343 -0.470311 10.0181 in (null):F-9999 (5) other bump:1.84418 Ang OE1(17) at 16.457 -1.12909 11.6987 in (null):E-9999 (2) and CE2(42) at 16.8343 -0.470311 10.0181 in (null):F-9999 (5) other bump:3.0922 Ang CG(15) at 17.7647 -3.11717 11.3181 in (null):E-9999 (2) and CE2(42) at 16.8343 -0.470311 10.0181 in (null):F-9999 (5) other bump:2.1164 Ang OE2(18) at 15.8194 -2.50676 10.1018 in (null):E-9999 (2) and CE1(41) at 17.9277 -2.62306 9.95695 in (null):F-9999 (5) other bump:1.77046 Ang CD(16) at 16.5898 -2.18551 11.0308 in (null):E-9999 (2) and CE1(41) at 17.9277 -2.62306 9.95695 in (null):F-9999 (5) other bump:2.72555 Ang OE1(17) at 16.457 -1.12909 11.6987 in (null):E-9999 (2) and CE1(41) at 17.9277 -2.62306 9.95695 in (null):F-9999 (5) other bump:2.77722 Ang CB(14) at 18.3635 -2.92872 12.6827 in (null):E-9999 (2) and CE1(41) at 17.9277 -2.62306 9.95695 in (null):F-9999 (5) other bump:1.45724 Ang CG(15) at 17.7647 -3.11717 11.3181 in (null):E-9999 (2) and CE1(41) at 17.9277 -2.62306 9.95695 in (null):F-9999 (5) other bump:3.03889 Ang CD(16) at 16.5898 -2.18551 11.0308 in (null):E-9999 (2) and CD2(40) at 17.0048 -0.365201 8.63305 in (null):F-9999 (5) other bump:2.74177 Ang OE2(18) at 15.8194 -2.50676 10.1018 in (null):E-9999 (2) and CD1(39) at 18.0921 -2.50478 8.56813 in (null):F-9999 (5) other bump:2.90235 Ang CD(16) at 16.5898 -2.18551 11.0308 in (null):E-9999 (2) and CD1(39) at 18.0921 -2.50478 8.56813 in (null):F-9999 (5) neighbor-bump: 2.0443 Ang C(20) at 20.686 -3.036 11.758 in (null):E-9999 (2) and CD(25) at 21.5421 -4.89186 11.7136 in (null):P-9999 (3) Number of specific fragments= 1 total=1377 # 1afrA.101.101 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 101 :HEPVFAPHD 1afrA 120 :GVRDETGAS Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83819 Ang CB(48) at 73.001 19.411 -9.826 in (null):A-9999 (6) and OD1(72) at 74.9849 21.4222 -9.55266 in (null):D-9999 (9) neighbor-bump: 1.08488 Ang O(49) at 70.909 17.915 -7.998 in (null):A-9999 (6) and CD(55) at 71.0127 18.9924 -7.92371 in (null):P-9999 (7) neighbor-bump: 2.65761 Ang N(46) at 71.619 21.295 -9.104 in (null):A-9999 (6) and CD(55) at 71.0127 18.9924 -7.92371 in (null):P-9999 (7) neighbor-bump: 1.68729 Ang CA(47) at 71.661 19.841 -9.23 in (null):A-9999 (6) and CD(55) at 71.0127 18.9924 -7.92371 in (null):P-9999 (7) neighbor-bump: 0.40828 Ang C(50) at 71.418 19.033 -7.951 in (null):A-9999 (6) and CD(55) at 71.0127 18.9924 -7.92371 in (null):P-9999 (7) neighbor-bump: 2.78343 Ang CB(48) at 73.001 19.411 -9.826 in (null):A-9999 (6) and CD(55) at 71.0127 18.9924 -7.92371 in (null):P-9999 (7) neighbor-bump: 0.657251 Ang O(49) at 70.909 17.915 -7.998 in (null):A-9999 (6) and CG(54) at 70.9742 17.5696 -7.44264 in (null):P-9999 (7) neighbor-bump: 2.97079 Ang CA(47) at 71.661 19.841 -9.23 in (null):A-9999 (6) and CG(54) at 70.9742 17.5696 -7.44264 in (null):P-9999 (7) neighbor-bump: 1.6115 Ang C(50) at 71.418 19.033 -7.951 in (null):A-9999 (6) and CG(54) at 70.9742 17.5696 -7.44264 in (null):P-9999 (7) neighbor-bump: 2.0395 Ang O(49) at 70.909 17.915 -7.998 in (null):A-9999 (6) and CB(53) at 70.7446 17.7276 -5.97379 in (null):P-9999 (7) neighbor-bump: 2.46312 Ang C(50) at 71.418 19.033 -7.951 in (null):A-9999 (6) and CB(53) at 70.7446 17.7276 -5.97379 in (null):P-9999 (7) Number of specific fragments= 1 total=1378 # 1aun.101.101 read from T0147_twice.t2k.frag # found chain 1aun in template set T0147_twice 101 :HEPVFAPHD 1aun 102 :IDGFNIPMS Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39664 Ang N(21) at 17.77 24.115 14.603 in (null):P-9999 (3) and CD(25) at 18.81 25.0373 14.7388 in (null):P-9999 (3) neighbor-bump: 2.6027 Ang N(12) at 19.771 22.999 16.041 in (null):E-9999 (2) and CD(25) at 18.81 25.0373 14.7388 in (null):P-9999 (3) neighbor-bump: 1.5786 Ang CA(13) at 19.961 24.367 15.586 in (null):E-9999 (2) and CD(25) at 18.81 25.0373 14.7388 in (null):P-9999 (3) neighbor-bump: 2.7347 Ang CB(14) at 21.4285 24.2714 14.9259 in (null):E-9999 (2) and CD(25) at 18.81 25.0373 14.7388 in (null):P-9999 (3) neighbor-bump: 1.31097 Ang O(19) at 19.223 25.498 13.583 in (null):E-9999 (2) and CD(25) at 18.81 25.0373 14.7388 in (null):P-9999 (3) neighbor-bump: 0.423045 Ang C(20) at 18.948 24.718 14.498 in (null):E-9999 (2) and CD(25) at 18.81 25.0373 14.7388 in (null):P-9999 (3) neighbor-bump: 2.99176 Ang CA(13) at 19.961 24.367 15.586 in (null):E-9999 (2) and CG(24) at 18.1395 26.3245 14.2441 in (null):P-9999 (3) neighbor-bump: 1.51469 Ang O(19) at 19.223 25.498 13.583 in (null):E-9999 (2) and CG(24) at 18.1395 26.3245 14.2441 in (null):P-9999 (3) neighbor-bump: 1.81636 Ang C(20) at 18.948 24.718 14.498 in (null):E-9999 (2) and CG(24) at 18.1395 26.3245 14.2441 in (null):P-9999 (3) neighbor-bump: 2.09522 Ang O(19) at 19.223 25.498 13.583 in (null):E-9999 (2) and CB(23) at 17.2087 25.865 13.1383 in (null):P-9999 (3) neighbor-bump: 2.48789 Ang C(20) at 18.948 24.718 14.498 in (null):E-9999 (2) and CB(23) at 17.2087 25.865 13.1383 in (null):P-9999 (3) Number of specific fragments= 1 total=1379 # 1yasA.102.103 read from T0147_twice.t2k.frag # found chain 1yasA in template set T0147_twice 102 :EPVFAPHDK 1yasA 104 :NSVLPDTEH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.3884 Ang C(1) at 19.915 44.617 16.75 in (null):G-9999 (0) and CD(15) at 18.9153 43.9101 18.8007 in (null):P-9999 (2) neighbor-bump: 2.22683 Ang N(2) at 20.613 44.986 17.842 in (null):E-9999 (1) and CD(15) at 18.9153 43.9101 18.8007 in (null):P-9999 (2) Number of specific fragments= 1 total=1380 # 1qj4A.102.103 read from T0147_twice.t2k.frag # found chain 1qj4A in template set T0147_twice 102 :EPVFAPHDK 1qj4A 104 :NSVLPDTEH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38852 Ang C(1) at 20.008 43.732 16.854 in (null):G-9999 (0) and CD(15) at 18.8655 42.8929 18.7764 in (null):P-9999 (2) neighbor-bump: 2.34427 Ang N(2) at 20.71 44.077 17.945 in (null):E-9999 (1) and CD(15) at 18.8655 42.8929 18.7764 in (null):P-9999 (2) Number of specific fragments= 1 total=1381 # 1qs0A.102.102 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 102 :EPVFAPHDK 1qs0A 104 :SFYMQSLGE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.38021 Ang CA(37) at -6.186 -27.453 102.35 in (null):A-9999 (5) and CD(45) at -4.27668 -27.9043 101.002 in (null):P-9999 (6) neighbor-bump: 1.97386 Ang C(40) at -5.646 -26.509 101.275 in (null):A-9999 (5) and CD(45) at -4.27668 -27.9043 101.002 in (null):P-9999 (6) self-bump: 1.3875 Ang N(41) at -5.08 -27.088 100.219 in (null):P-9999 (6) and CD(45) at -4.27668 -27.9043 101.002 in (null):P-9999 (6) self-bump: 2.21079 Ang N(41) at -5.08 -27.088 100.219 in (null):P-9999 (6) and CG(44) at -3.09239 -28.0473 100.089 in (null):P-9999 (6) neighbor-bump: 2.13921 Ang CA(3) at -7.247 -28.79 116.186 in (null):E-9999 (1) and CD(15) at -6.56494 -27.0737 115.106 in (null):P-9999 (2) neighbor-bump: 2.29521 Ang O(9) at -8.832 -27.423 115.026 in (null):E-9999 (1) and CD(15) at -6.56494 -27.0737 115.106 in (null):P-9999 (2) neighbor-bump: 1.47016 Ang C(10) at -7.727 -27.967 114.992 in (null):E-9999 (1) and CD(15) at -6.56494 -27.0737 115.106 in (null):P-9999 (2) neighbor-bump: 2.07303 Ang CB(4) at -6.41028 -27.8379 117.027 in (null):E-9999 (1) and CD(15) at -6.56494 -27.0737 115.106 in (null):P-9999 (2) neighbor-bump: 2.37435 Ang O(9) at -8.832 -27.423 115.026 in (null):E-9999 (1) and CG(14) at -7.17445 -25.743 114.766 in (null):P-9999 (2) neighbor-bump: 2.30273 Ang C(10) at -7.727 -27.967 114.992 in (null):E-9999 (1) and CG(14) at -7.17445 -25.743 114.766 in (null):P-9999 (2) Number of specific fragments= 1 total=1382 # 1fnf.102.102 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 102 :EPVFAPHDK 1fnf 1244 :FTNIGPDTM Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.85754 Ang CB(38) at 17.0684 -4.42137 1.62163 in (null):A-9999 (5) and OD1(62) at 16.831 -6.19447 2.12185 in (null):D-9999 (8) other bump:3.08364 Ang CB(38) at 17.0684 -4.42137 1.62163 in (null):A-9999 (5) and CG(61) at 16.8715 -7.43936 2.2231 in (null):D-9999 (8) other bump:2.55938 Ang CB(4) at 18.4137 -2.71292 12.6934 in (null):E-9999 (1) and CZ(33) at 17.2958 -1.59516 10.6806 in (null):F-9999 (4) other bump:2.7807 Ang CB(4) at 18.4137 -2.71292 12.6934 in (null):E-9999 (1) and CE1(31) at 17.9277 -2.62305 9.95695 in (null):F-9999 (4) neighbor-bump: 2.0443 Ang C(10) at 20.686 -3.036 11.758 in (null):E-9999 (1) and CD(15) at 21.5421 -4.89187 11.7136 in (null):P-9999 (2) Number of specific fragments= 1 total=1383 # 1afrA.102.102 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 102 :EPVFAPHDK 1afrA 121 :VRDETGASP Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.08488 Ang O(39) at 70.909 17.915 -7.998 in (null):A-9999 (5) and CD(45) at 71.0127 18.9924 -7.92371 in (null):P-9999 (6) neighbor-bump: 0.40828 Ang C(40) at 71.418 19.033 -7.951 in (null):A-9999 (5) and CD(45) at 71.0127 18.9924 -7.92371 in (null):P-9999 (6) neighbor-bump: 2.65761 Ang N(36) at 71.619 21.295 -9.104 in (null):A-9999 (5) and CD(45) at 71.0127 18.9924 -7.92371 in (null):P-9999 (6) neighbor-bump: 1.68729 Ang CA(37) at 71.661 19.841 -9.23 in (null):A-9999 (5) and CD(45) at 71.0127 18.9924 -7.92371 in (null):P-9999 (6) neighbor-bump: 2.78343 Ang CB(38) at 73.001 19.411 -9.826 in (null):A-9999 (5) and CD(45) at 71.0127 18.9924 -7.92371 in (null):P-9999 (6) neighbor-bump: 0.657251 Ang O(39) at 70.909 17.915 -7.998 in (null):A-9999 (5) and CG(44) at 70.9742 17.5696 -7.44264 in (null):P-9999 (6) neighbor-bump: 1.6115 Ang C(40) at 71.418 19.033 -7.951 in (null):A-9999 (5) and CG(44) at 70.9742 17.5696 -7.44264 in (null):P-9999 (6) neighbor-bump: 2.97079 Ang CA(37) at 71.661 19.841 -9.23 in (null):A-9999 (5) and CG(44) at 70.9742 17.5696 -7.44264 in (null):P-9999 (6) neighbor-bump: 2.0395 Ang O(39) at 70.909 17.915 -7.998 in (null):A-9999 (5) and CB(43) at 70.7446 17.7276 -5.97379 in (null):P-9999 (6) neighbor-bump: 2.46312 Ang C(40) at 71.418 19.033 -7.951 in (null):A-9999 (5) and CB(43) at 70.7446 17.7276 -5.97379 in (null):P-9999 (6) Number of specific fragments= 1 total=1384 # 1dbwA.102.102 read from T0147_twice.t2k.frag # adding 1dbwA to template set 1dbwA:Skipped atom 191, because occupancy 0.5 <= existing 0.500001 Skipped atom 193, because occupancy 0.5 <= existing 0.500001 Skipped atom 195, because occupancy 0.5 <= existing 0.500001 Skipped atom 197, because occupancy 0.5 <= existing 0.500001 Skipped atom 199, because occupancy 0.5 <= existing 0.500001 Skipped atom 201, because occupancy 0.5 <= existing 0.500001 Skipped atom 203, because occupancy 0.5 <= existing 0.500001 Skipped atom 205, because occupancy 0.5 <= existing 0.500001 Skipped atom 591, because occupancy 0.5 <= existing 0.500001 Skipped atom 593, because occupancy 0.5 <= existing 0.500001 Skipped atom 595, because occupancy 0.5 <= existing 0.500001 Skipped atom 597, because occupancy 0.5 <= existing 0.500001 Skipped atom 599, because occupancy 0.5 <= existing 0.500001 Skipped atom 601, because occupancy 0.5 <= existing 0.500001 # found chain 1dbwA in template set T0147_twice 102 :EPVFAPHDK 1dbwA 103 :EKPFEDTVI Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.2411 Ang CD1(29) at 8.417 1.219 24.375 in (null):F-9999 (4) and NZ(72) at 9.2629 0.677956 23.6456 in (null):K-9999 (9) other bump:0.466702 Ang CE1(31) at 9.576 1.022 23.608 in (null):F-9999 (4) and NZ(72) at 9.2629 0.677956 23.6456 in (null):K-9999 (9) other bump:2.7941 Ang CE2(32) at 10.637 2.798 24.839 in (null):F-9999 (4) and NZ(72) at 9.2629 0.677956 23.6456 in (null):K-9999 (9) other bump:1.82892 Ang CZ(33) at 10.688 1.808 23.838 in (null):F-9999 (4) and NZ(72) at 9.2629 0.677956 23.6456 in (null):K-9999 (9) other bump:2.33927 Ang CD1(29) at 8.417 1.219 24.375 in (null):F-9999 (4) and CE(71) at 9.66172 1.38892 22.4017 in (null):K-9999 (9) other bump:1.2638 Ang CE1(31) at 9.576 1.022 23.608 in (null):F-9999 (4) and CE(71) at 9.66172 1.38892 22.4017 in (null):K-9999 (9) other bump:1.81436 Ang CZ(33) at 10.688 1.808 23.838 in (null):F-9999 (4) and CE(71) at 9.66172 1.38892 22.4017 in (null):K-9999 (9) other bump:2.67195 Ang CD1(29) at 8.417 1.219 24.375 in (null):F-9999 (4) and CD(70) at 9.07819 2.79013 22.3174 in (null):K-9999 (9) other bump:2.24494 Ang CE1(31) at 9.576 1.022 23.608 in (null):F-9999 (4) and CD(70) at 9.07819 2.79013 22.3174 in (null):K-9999 (9) other bump:2.96452 Ang CE2(32) at 10.637 2.798 24.839 in (null):F-9999 (4) and CD(70) at 9.07819 2.79013 22.3174 in (null):K-9999 (9) other bump:2.42245 Ang CZ(33) at 10.688 1.808 23.838 in (null):F-9999 (4) and CD(70) at 9.07819 2.79013 22.3174 in (null):K-9999 (9) other bump:2.72285 Ang CD1(29) at 8.417 1.219 24.375 in (null):F-9999 (4) and CG(69) at 7.54877 2.76228 22.3066 in (null):K-9999 (9) Number of specific fragments= 1 total=1385 # 1qs0A.103.103 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 103 :PVFAPHDKA 1qs0A 105 :FYMQSLGEE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.38021 Ang CA(28) at -6.186 -27.453 102.35 in (null):A-9999 (4) and CD(36) at -4.27668 -27.9043 101.002 in (null):P-9999 (5) neighbor-bump: 1.97386 Ang C(31) at -5.646 -26.509 101.275 in (null):A-9999 (4) and CD(36) at -4.27668 -27.9043 101.002 in (null):P-9999 (5) self-bump: 1.3875 Ang N(32) at -5.08 -27.088 100.219 in (null):P-9999 (5) and CD(36) at -4.27668 -27.9043 101.002 in (null):P-9999 (5) self-bump: 2.21079 Ang N(32) at -5.08 -27.088 100.219 in (null):P-9999 (5) and CG(35) at -3.09239 -28.0473 100.089 in (null):P-9999 (5) neighbor-bump: 2.29521 Ang O(0) at -8.832 -27.423 115.026 in (null):G-9999 (0) and CD(6) at -6.56494 -27.0737 115.106 in (null):P-9999 (1) neighbor-bump: 1.47016 Ang C(1) at -7.727 -27.967 114.992 in (null):G-9999 (0) and CD(6) at -6.56494 -27.0737 115.106 in (null):P-9999 (1) neighbor-bump: 2.37435 Ang O(0) at -8.832 -27.423 115.026 in (null):G-9999 (0) and CG(5) at -7.17446 -25.743 114.766 in (null):P-9999 (1) neighbor-bump: 2.30273 Ang C(1) at -7.727 -27.967 114.992 in (null):G-9999 (0) and CG(5) at -7.17446 -25.743 114.766 in (null):P-9999 (1) Number of specific fragments= 1 total=1386 # 1fnf.103.103 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 103 :PVFAPHDKA 1fnf 1245 :TNIGPDTMR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41238 Ang CD(6) at 21.5421 -4.89187 11.7136 in (null):P-9999 (1) and O(69) at 19.909 -6.525 11.017 in (null):A-9999 (9) other bump:1.85754 Ang CB(29) at 17.0684 -4.42137 1.62163 in (null):A-9999 (4) and OD1(53) at 16.831 -6.19447 2.12185 in (null):D-9999 (7) other bump:3.08364 Ang CB(29) at 17.0684 -4.42137 1.62163 in (null):A-9999 (4) and CG(52) at 16.8715 -7.43936 2.2231 in (null):D-9999 (7) neighbor-bump: 2.0443 Ang C(1) at 20.686 -3.036 11.758 in (null):G-9999 (0) and CD(6) at 21.5421 -4.89187 11.7136 in (null):P-9999 (1) Number of specific fragments= 1 total=1387 # 1thm.103.105 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 103 :PVFAPHDKA 1thm 106 :NSGSGTWTA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.869 Ang CD2(43) at 15.021 24.0981 32.0235 in (null):H-9999 (6) and CB(59) at 13.3957 21.737 32.1453 in (null):K-9999 (8) other bump:2.58336 Ang CD2(43) at 15.021 24.0981 32.0235 in (null):H-9999 (6) and N(57) at 15.332 21.899 30.704 in (null):K-9999 (8) neighbor-bump: 1.7468 Ang C(31) at 15.711 28.951 23.883 in (null):A-9999 (4) and CD(36) at 16.6931 27.5087 23.9636 in (null):P-9999 (5) neighbor-bump: 2.2454 Ang CA(28) at 16.817 29.542 23.019 in (null):A-9999 (4) and CD(36) at 16.6931 27.5087 23.9636 in (null):P-9999 (5) self-bump: 1.37061 Ang N(2) at 10.651 31.818 20.742 in (null):P-9999 (1) and CD(6) at 9.65005 32.0366 21.6524 in (null):P-9999 (1) Number of specific fragments= 1 total=1388 # 1yasA.103.104 read from T0147_twice.t2k.frag # found chain 1yasA in template set T0147_twice 103 :PVFAPHDKA 1yasA 105 :SVLPDTEHC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1389 # 1qj4A.103.104 read from T0147_twice.t2k.frag # found chain 1qj4A in template set T0147_twice 103 :PVFAPHDKA 1qj4A 105 :SVLPDTEHC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1390 # 2bnh.103.105 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 103 :PVFAPHDKA 2bnh 105 :RSLPTLREL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89066 Ang CE1(45) at 29.8278 27.1269 20.3483 in (null):H-9999 (6) and C(65) at 28.008 29.356 20.074 in (null):K-9999 (8) other bump:2.39797 Ang CE1(45) at 29.8278 27.1269 20.3483 in (null):H-9999 (6) and O(64) at 28.293 28.554 19.183 in (null):K-9999 (8) self-bump: 1.36177 Ang CA(50) at 32.175 31.47 19.223 in (null):D-9999 (7) and CB(51) at 32.1118 32.5399 18.3829 in (null):D-9999 (7) other bump:2.91557 Ang C(26) at 37.627 25.167 20.883 in (null):F-9999 (3) and CD(36) at 38.7261 26.2843 18.4245 in (null):P-9999 (5) neighbor-bump: 2.22131 Ang N(27) at 38.805 25.685 20.562 in (null):A-9999 (4) and CD(36) at 38.7261 26.2843 18.4245 in (null):P-9999 (5) neighbor-bump: 2.10936 Ang C(31) at 38.537 28.007 19.627 in (null):A-9999 (4) and CD(36) at 38.7261 26.2843 18.4245 in (null):P-9999 (5) self-bump: 1.34693 Ang N(32) at 37.98 27.395 18.579 in (null):P-9999 (5) and CD(36) at 38.7261 26.2843 18.4245 in (null):P-9999 (5) self-bump: 2.21498 Ang N(32) at 37.98 27.395 18.579 in (null):P-9999 (5) and CG(35) at 38.9117 26.2629 16.9187 in (null):P-9999 (5) Number of specific fragments= 1 total=1391 # 1fnf.104.104 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 104 :VFAPHDKAT 1fnf 1246 :NIGPDTMRV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.85754 Ang CB(22) at 17.0684 -4.42137 1.62163 in (null):A-9999 (3) and OD1(46) at 16.831 -6.19447 2.12185 in (null):D-9999 (6) other bump:3.08364 Ang CB(22) at 17.0684 -4.42137 1.62163 in (null):A-9999 (3) and CG(45) at 16.8715 -7.43936 2.2231 in (null):D-9999 (6) Number of specific fragments= 1 total=1392 # 1thm.104.106 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 104 :VFAPHDKAT 1thm 107 :SGSGTWTAV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.869 Ang CD2(36) at 15.021 24.0981 32.0235 in (null):H-9999 (5) and CB(52) at 13.3957 21.737 32.1453 in (null):K-9999 (7) other bump:2.58336 Ang CD2(36) at 15.021 24.0981 32.0235 in (null):H-9999 (5) and N(50) at 15.332 21.899 30.704 in (null):K-9999 (7) neighbor-bump: 2.2454 Ang CA(21) at 16.817 29.542 23.019 in (null):A-9999 (3) and CD(29) at 16.6931 27.5087 23.9636 in (null):P-9999 (4) neighbor-bump: 1.7468 Ang C(24) at 15.711 28.951 23.883 in (null):A-9999 (3) and CD(29) at 16.6931 27.5087 23.9636 in (null):P-9999 (4) Number of specific fragments= 1 total=1393 # 1qs0A.104.104 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 104 :VFAPHDKAT 1qs0A 106 :YMQSLGEEA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.38021 Ang CA(21) at -6.186 -27.453 102.35 in (null):A-9999 (3) and CD(29) at -4.27668 -27.9043 101.002 in (null):P-9999 (4) neighbor-bump: 1.97386 Ang C(24) at -5.646 -26.509 101.275 in (null):A-9999 (3) and CD(29) at -4.27668 -27.9043 101.002 in (null):P-9999 (4) self-bump: 1.3875 Ang N(25) at -5.08 -27.088 100.219 in (null):P-9999 (4) and CD(29) at -4.27668 -27.9043 101.002 in (null):P-9999 (4) self-bump: 2.21079 Ang N(25) at -5.08 -27.088 100.219 in (null):P-9999 (4) and CG(28) at -3.09239 -28.0473 100.089 in (null):P-9999 (4) Number of specific fragments= 1 total=1394 # 1dbiA.104.106 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 104 :VFAPHDKAT 1dbiA 107 :RNGSGTLSD Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.24482 Ang CA(10) at 23.593 -10.518 20.666 in (null):F-9999 (2) and CD(29) at 20.9697 -10.5864 22.5745 in (null):P-9999 (4) other bump:2.49999 Ang O(18) at 21.287 -10.776 20.102 in (null):F-9999 (2) and CD(29) at 20.9697 -10.5864 22.5745 in (null):P-9999 (4) other bump:2.37156 Ang C(19) at 22.156 -10.04 20.595 in (null):F-9999 (2) and CD(29) at 20.9697 -10.5864 22.5745 in (null):P-9999 (4) neighbor-bump: 2.44808 Ang N(20) at 21.895 -8.844 21.125 in (null):A-9999 (3) and CD(29) at 20.9697 -10.5864 22.5745 in (null):P-9999 (4) neighbor-bump: 2.31793 Ang O(18) at 21.287 -10.776 20.102 in (null):F-9999 (2) and CB(22) at 20.3 -8.76917 19.4926 in (null):A-9999 (3) neighbor-bump: 2.50497 Ang C(19) at 22.156 -10.04 20.595 in (null):F-9999 (2) and CB(22) at 20.3 -8.76917 19.4926 in (null):A-9999 (3) Number of specific fragments= 1 total=1395 # 1ak4C.104.104 read from T0147_twice.t2k.frag # adding 1ak4C to template set 1ak4C:# found chain 1ak4C in template set T0147_twice 104 :VFAPHDKAT 1ak4C 505 :AGTTSTLQE Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36542 Ang OD2(47) at 22.6667 13.6565 30.9546 in (null):D-9999 (6) and OG1(68) at 24.3767 14.6537 32.2494 in (null):T-9999 (9) neighbor-bump: 1.94623 Ang CA(21) at 28.023 14.257 21.647 in (null):A-9999 (3) and CD(29) at 29.3492 13.9889 23.046 in (null):P-9999 (4) neighbor-bump: 1.94332 Ang CB(22) at 29.49 14.261 21.127 in (null):A-9999 (3) and CD(29) at 29.3492 13.9889 23.046 in (null):P-9999 (4) neighbor-bump: 1.64415 Ang C(24) at 27.931 13.215 22.741 in (null):A-9999 (3) and CD(29) at 29.3492 13.9889 23.046 in (null):P-9999 (4) self-bump: 1.2986 Ang N(25) at 28.468 13.568 23.902 in (null):P-9999 (4) and CD(29) at 29.3492 13.9889 23.046 in (null):P-9999 (4) neighbor-bump: 2.47937 Ang N(20) at 27.645 15.569 22.182 in (null):A-9999 (3) and CD(29) at 29.3492 13.9889 23.046 in (null):P-9999 (4) neighbor-bump: 2.81283 Ang CB(22) at 29.49 14.261 21.127 in (null):A-9999 (3) and CG(28) at 30.5551 13.1868 23.4985 in (null):P-9999 (4) neighbor-bump: 2.73135 Ang C(24) at 27.931 13.215 22.741 in (null):A-9999 (3) and CG(28) at 30.5551 13.1868 23.4985 in (null):P-9999 (4) self-bump: 2.15962 Ang N(25) at 28.468 13.568 23.902 in (null):P-9999 (4) and CG(28) at 30.5551 13.1868 23.4985 in (null):P-9999 (4) Number of specific fragments= 1 total=1396 # 1afrA.104.104 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 104 :VFAPHDKAT 1afrA 123 :DETGASPTS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.08488 Ang O(23) at 70.909 17.915 -7.998 in (null):A-9999 (3) and CD(29) at 71.0127 18.9924 -7.92371 in (null):P-9999 (4) neighbor-bump: 2.65761 Ang N(20) at 71.619 21.295 -9.104 in (null):A-9999 (3) and CD(29) at 71.0127 18.9924 -7.92371 in (null):P-9999 (4) neighbor-bump: 1.68729 Ang CA(21) at 71.661 19.841 -9.23 in (null):A-9999 (3) and CD(29) at 71.0127 18.9924 -7.92371 in (null):P-9999 (4) neighbor-bump: 2.78343 Ang CB(22) at 73.001 19.411 -9.826 in (null):A-9999 (3) and CD(29) at 71.0127 18.9924 -7.92371 in (null):P-9999 (4) neighbor-bump: 0.40828 Ang C(24) at 71.418 19.033 -7.951 in (null):A-9999 (3) and CD(29) at 71.0127 18.9924 -7.92371 in (null):P-9999 (4) neighbor-bump: 0.657251 Ang O(23) at 70.909 17.915 -7.998 in (null):A-9999 (3) and CG(28) at 70.9742 17.5696 -7.44264 in (null):P-9999 (4) neighbor-bump: 2.97079 Ang CA(21) at 71.661 19.841 -9.23 in (null):A-9999 (3) and CG(28) at 70.9742 17.5696 -7.44264 in (null):P-9999 (4) neighbor-bump: 1.6115 Ang C(24) at 71.418 19.033 -7.951 in (null):A-9999 (3) and CG(28) at 70.9742 17.5696 -7.44264 in (null):P-9999 (4) neighbor-bump: 2.0395 Ang O(23) at 70.909 17.915 -7.998 in (null):A-9999 (3) and CB(27) at 70.7446 17.7276 -5.97379 in (null):P-9999 (4) neighbor-bump: 2.46312 Ang C(24) at 71.418 19.033 -7.951 in (null):A-9999 (3) and CB(27) at 70.7446 17.7276 -5.97379 in (null):P-9999 (4) Number of specific fragments= 1 total=1397 # 1dbiA.105.107 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 105 :FAPHDKATN 1dbiA 108 :NGSGTLSDI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.24482 Ang CA(3) at 23.593 -10.518 20.666 in (null):F-9999 (1) and CD(22) at 20.9697 -10.5864 22.5745 in (null):P-9999 (3) other bump:2.49999 Ang O(11) at 21.287 -10.776 20.102 in (null):F-9999 (1) and CD(22) at 20.9697 -10.5864 22.5745 in (null):P-9999 (3) other bump:2.37156 Ang C(12) at 22.156 -10.04 20.595 in (null):F-9999 (1) and CD(22) at 20.9697 -10.5864 22.5745 in (null):P-9999 (3) neighbor-bump: 2.44808 Ang N(13) at 21.895 -8.844 21.125 in (null):A-9999 (2) and CD(22) at 20.9697 -10.5864 22.5745 in (null):P-9999 (3) neighbor-bump: 2.31793 Ang O(11) at 21.287 -10.776 20.102 in (null):F-9999 (1) and CB(15) at 20.3 -8.76917 19.4926 in (null):A-9999 (2) neighbor-bump: 2.50497 Ang C(12) at 22.156 -10.04 20.595 in (null):F-9999 (1) and CB(15) at 20.3 -8.76917 19.4926 in (null):A-9999 (2) Number of specific fragments= 1 total=1398 # 1thm.105.107 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 105 :FAPHDKATN 1thm 108 :GSGTWTAVA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.869 Ang CD2(29) at 15.021 24.0981 32.0235 in (null):H-9999 (4) and CB(45) at 13.3957 21.737 32.1453 in (null):K-9999 (6) other bump:2.58336 Ang CD2(29) at 15.021 24.0981 32.0235 in (null):H-9999 (4) and N(43) at 15.332 21.899 30.704 in (null):K-9999 (6) neighbor-bump: 2.2454 Ang CA(14) at 16.817 29.542 23.019 in (null):A-9999 (2) and CD(22) at 16.6931 27.5087 23.9636 in (null):P-9999 (3) neighbor-bump: 1.7468 Ang C(17) at 15.711 28.951 23.883 in (null):A-9999 (2) and CD(22) at 16.6931 27.5087 23.9636 in (null):P-9999 (3) Number of specific fragments= 1 total=1399 # 1fnf.105.105 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 105 :FAPHDKATN 1fnf 1247 :IGPDTMRVT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.85754 Ang CB(15) at 17.0684 -4.42137 1.62163 in (null):A-9999 (2) and OD1(39) at 16.831 -6.19447 2.12185 in (null):D-9999 (5) other bump:3.08364 Ang CB(15) at 17.0684 -4.42137 1.62163 in (null):A-9999 (2) and CG(38) at 16.8715 -7.43936 2.2231 in (null):D-9999 (5) Number of specific fragments= 1 total=1400 # 1qs0A.105.105 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 105 :FAPHDKATN 1qs0A 107 :MQSLGEEAI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3875 Ang N(18) at -5.08 -27.088 100.219 in (null):P-9999 (3) and CD(22) at -4.27668 -27.9043 101.002 in (null):P-9999 (3) neighbor-bump: 2.38021 Ang CA(14) at -6.186 -27.453 102.35 in (null):A-9999 (2) and CD(22) at -4.27668 -27.9043 101.002 in (null):P-9999 (3) neighbor-bump: 1.97386 Ang C(17) at -5.646 -26.509 101.275 in (null):A-9999 (2) and CD(22) at -4.27668 -27.9043 101.002 in (null):P-9999 (3) self-bump: 2.21079 Ang N(18) at -5.08 -27.088 100.219 in (null):P-9999 (3) and CG(21) at -3.09239 -28.0473 100.089 in (null):P-9999 (3) Number of specific fragments= 1 total=1401 # 1ak4C.105.105 read from T0147_twice.t2k.frag # found chain 1ak4C in template set T0147_twice 105 :FAPHDKATN 1ak4C 506 :GTTSTLQEQ Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.09491 Ang CD1(6) at 24.0803 19.4076 24.3921 in (null):F-9999 (1) and ND2(68) at 23.496 18.8241 26.3174 in (null):N-9999 (9) other bump:2.42924 Ang CE1(8) at 23.7594 20.7179 24.819 in (null):F-9999 (1) and ND2(68) at 23.496 18.8241 26.3174 in (null):N-9999 (9) other bump:2.36542 Ang OD2(40) at 22.6667 13.6565 30.9546 in (null):D-9999 (5) and OG1(61) at 24.3767 14.6537 32.2494 in (null):T-9999 (8) neighbor-bump: 1.94623 Ang CA(14) at 28.023 14.257 21.647 in (null):A-9999 (2) and CD(22) at 29.3492 13.9889 23.046 in (null):P-9999 (3) neighbor-bump: 1.94332 Ang CB(15) at 29.49 14.261 21.127 in (null):A-9999 (2) and CD(22) at 29.3492 13.9889 23.046 in (null):P-9999 (3) neighbor-bump: 1.64415 Ang C(17) at 27.931 13.215 22.741 in (null):A-9999 (2) and CD(22) at 29.3492 13.9889 23.046 in (null):P-9999 (3) self-bump: 1.2986 Ang N(18) at 28.468 13.568 23.902 in (null):P-9999 (3) and CD(22) at 29.3492 13.9889 23.046 in (null):P-9999 (3) neighbor-bump: 2.47937 Ang N(13) at 27.645 15.569 22.182 in (null):A-9999 (2) and CD(22) at 29.3492 13.9889 23.046 in (null):P-9999 (3) neighbor-bump: 2.81283 Ang CB(15) at 29.49 14.261 21.127 in (null):A-9999 (2) and CG(21) at 30.5551 13.1868 23.4985 in (null):P-9999 (3) neighbor-bump: 2.73135 Ang C(17) at 27.931 13.215 22.741 in (null):A-9999 (2) and CG(21) at 30.5551 13.1868 23.4985 in (null):P-9999 (3) self-bump: 2.15962 Ang N(18) at 28.468 13.568 23.902 in (null):P-9999 (3) and CG(21) at 30.5551 13.1868 23.4985 in (null):P-9999 (3) Number of specific fragments= 1 total=1402 # 1afrA.105.105 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 105 :FAPHDKATN 1afrA 124 :ETGASPTSW Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.08488 Ang O(16) at 70.909 17.915 -7.998 in (null):A-9999 (2) and CD(22) at 71.0127 18.9924 -7.92371 in (null):P-9999 (3) neighbor-bump: 2.65761 Ang N(13) at 71.619 21.295 -9.104 in (null):A-9999 (2) and CD(22) at 71.0127 18.9924 -7.92371 in (null):P-9999 (3) neighbor-bump: 1.68729 Ang CA(14) at 71.661 19.841 -9.23 in (null):A-9999 (2) and CD(22) at 71.0127 18.9924 -7.92371 in (null):P-9999 (3) neighbor-bump: 2.78343 Ang CB(15) at 73.001 19.411 -9.826 in (null):A-9999 (2) and CD(22) at 71.0127 18.9924 -7.92371 in (null):P-9999 (3) neighbor-bump: 0.40828 Ang C(17) at 71.418 19.033 -7.951 in (null):A-9999 (2) and CD(22) at 71.0127 18.9924 -7.92371 in (null):P-9999 (3) neighbor-bump: 0.657251 Ang O(16) at 70.909 17.915 -7.998 in (null):A-9999 (2) and CG(21) at 70.9742 17.5696 -7.44264 in (null):P-9999 (3) neighbor-bump: 2.97079 Ang CA(14) at 71.661 19.841 -9.23 in (null):A-9999 (2) and CG(21) at 70.9742 17.5696 -7.44264 in (null):P-9999 (3) neighbor-bump: 1.6115 Ang C(17) at 71.418 19.033 -7.951 in (null):A-9999 (2) and CG(21) at 70.9742 17.5696 -7.44264 in (null):P-9999 (3) neighbor-bump: 2.0395 Ang O(16) at 70.909 17.915 -7.998 in (null):A-9999 (2) and CB(20) at 70.7446 17.7276 -5.97379 in (null):P-9999 (3) neighbor-bump: 2.46312 Ang C(17) at 71.418 19.033 -7.951 in (null):A-9999 (2) and CB(20) at 70.7446 17.7276 -5.97379 in (null):P-9999 (3) Number of specific fragments= 1 total=1403 # 1dbiA.106.108 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 106 :APHDKATNT 1dbiA 109 :GSGTLSDIA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49999 Ang O(0) at 21.287 -10.776 20.102 in (null):G-9999 (0) and CD(11) at 20.9697 -10.5864 22.5745 in (null):P-9999 (2) other bump:2.37156 Ang C(1) at 22.156 -10.04 20.595 in (null):G-9999 (0) and CD(11) at 20.9697 -10.5864 22.5745 in (null):P-9999 (2) neighbor-bump: 2.44808 Ang N(2) at 21.895 -8.844 21.125 in (null):A-9999 (1) and CD(11) at 20.9697 -10.5864 22.5745 in (null):P-9999 (2) neighbor-bump: 2.31794 Ang O(0) at 21.287 -10.776 20.102 in (null):G-9999 (0) and CB(4) at 20.3 -8.76916 19.4926 in (null):A-9999 (1) neighbor-bump: 2.50497 Ang C(1) at 22.156 -10.04 20.595 in (null):G-9999 (0) and CB(4) at 20.3 -8.76916 19.4926 in (null):A-9999 (1) Number of specific fragments= 1 total=1404 # 1thm.106.108 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 106 :APHDKATNT 1thm 109 :SGTWTAVAN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.869 Ang CD2(18) at 15.021 24.0981 32.0235 in (null):H-9999 (3) and CB(34) at 13.3957 21.737 32.1453 in (null):K-9999 (5) other bump:2.58336 Ang CD2(18) at 15.021 24.0981 32.0235 in (null):H-9999 (3) and N(32) at 15.332 21.899 30.704 in (null):K-9999 (5) neighbor-bump: 2.2454 Ang CA(3) at 16.817 29.542 23.019 in (null):A-9999 (1) and CD(11) at 16.6931 27.5087 23.9636 in (null):P-9999 (2) neighbor-bump: 1.7468 Ang C(6) at 15.711 28.951 23.883 in (null):A-9999 (1) and CD(11) at 16.6931 27.5087 23.9636 in (null):P-9999 (2) Number of specific fragments= 1 total=1405 # 1qs0A.106.106 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 106 :APHDKATNT 1qs0A 108 :QSLGEEAIG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.38021 Ang CA(3) at -6.186 -27.453 102.35 in (null):A-9999 (1) and CD(11) at -4.27668 -27.9043 101.002 in (null):P-9999 (2) self-bump: 1.3875 Ang N(7) at -5.08 -27.088 100.219 in (null):P-9999 (2) and CD(11) at -4.27668 -27.9043 101.002 in (null):P-9999 (2) neighbor-bump: 1.97386 Ang C(6) at -5.646 -26.509 101.275 in (null):A-9999 (1) and CD(11) at -4.27668 -27.9043 101.002 in (null):P-9999 (2) self-bump: 2.21079 Ang N(7) at -5.08 -27.088 100.219 in (null):P-9999 (2) and CG(10) at -3.09239 -28.0473 100.089 in (null):P-9999 (2) Number of specific fragments= 1 total=1406 # 1ak4C.106.106 read from T0147_twice.t2k.frag # found chain 1ak4C in template set T0147_twice 106 :APHDKATNT 1ak4C 507 :TTSTLQEQI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36542 Ang OD2(29) at 22.6667 13.6565 30.9546 in (null):D-9999 (4) and OG1(50) at 24.3767 14.6537 32.2494 in (null):T-9999 (7) neighbor-bump: 1.94623 Ang CA(3) at 28.023 14.257 21.647 in (null):A-9999 (1) and CD(11) at 29.3492 13.9889 23.046 in (null):P-9999 (2) neighbor-bump: 1.94332 Ang CB(4) at 29.49 14.261 21.127 in (null):A-9999 (1) and CD(11) at 29.3492 13.9889 23.046 in (null):P-9999 (2) neighbor-bump: 1.64415 Ang C(6) at 27.931 13.215 22.741 in (null):A-9999 (1) and CD(11) at 29.3492 13.9889 23.046 in (null):P-9999 (2) self-bump: 1.2986 Ang N(7) at 28.468 13.568 23.902 in (null):P-9999 (2) and CD(11) at 29.3492 13.9889 23.046 in (null):P-9999 (2) neighbor-bump: 2.47937 Ang N(2) at 27.645 15.569 22.182 in (null):A-9999 (1) and CD(11) at 29.3492 13.9889 23.046 in (null):P-9999 (2) neighbor-bump: 2.81283 Ang CB(4) at 29.49 14.261 21.127 in (null):A-9999 (1) and CG(10) at 30.5551 13.1868 23.4985 in (null):P-9999 (2) neighbor-bump: 2.73135 Ang C(6) at 27.931 13.215 22.741 in (null):A-9999 (1) and CG(10) at 30.5551 13.1868 23.4985 in (null):P-9999 (2) self-bump: 2.15962 Ang N(7) at 28.468 13.568 23.902 in (null):P-9999 (2) and CG(10) at 30.5551 13.1868 23.4985 in (null):P-9999 (2) Number of specific fragments= 1 total=1407 # 1afrA.106.106 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 106 :APHDKATNT 1afrA 125 :TGASPTSWA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.08488 Ang O(5) at 70.909 17.915 -7.998 in (null):A-9999 (1) and CD(11) at 71.0127 18.9924 -7.92371 in (null):P-9999 (2) neighbor-bump: 2.65761 Ang N(2) at 71.619 21.295 -9.104 in (null):A-9999 (1) and CD(11) at 71.0127 18.9924 -7.92371 in (null):P-9999 (2) neighbor-bump: 1.68729 Ang CA(3) at 71.661 19.841 -9.23 in (null):A-9999 (1) and CD(11) at 71.0127 18.9924 -7.92371 in (null):P-9999 (2) neighbor-bump: 2.78343 Ang CB(4) at 73.001 19.411 -9.826 in (null):A-9999 (1) and CD(11) at 71.0127 18.9924 -7.92371 in (null):P-9999 (2) neighbor-bump: 0.40828 Ang C(6) at 71.418 19.033 -7.951 in (null):A-9999 (1) and CD(11) at 71.0127 18.9924 -7.92371 in (null):P-9999 (2) neighbor-bump: 0.657251 Ang O(5) at 70.909 17.915 -7.998 in (null):A-9999 (1) and CG(10) at 70.9742 17.5696 -7.44264 in (null):P-9999 (2) neighbor-bump: 2.97079 Ang CA(3) at 71.661 19.841 -9.23 in (null):A-9999 (1) and CG(10) at 70.9742 17.5696 -7.44264 in (null):P-9999 (2) neighbor-bump: 1.6115 Ang C(6) at 71.418 19.033 -7.951 in (null):A-9999 (1) and CG(10) at 70.9742 17.5696 -7.44264 in (null):P-9999 (2) neighbor-bump: 2.0395 Ang O(5) at 70.909 17.915 -7.998 in (null):A-9999 (1) and CB(9) at 70.7446 17.7276 -5.97379 in (null):P-9999 (2) neighbor-bump: 2.46312 Ang C(6) at 71.418 19.033 -7.951 in (null):A-9999 (1) and CB(9) at 70.7446 17.7276 -5.97379 in (null):P-9999 (2) Number of specific fragments= 1 total=1408 # 1dhpA.106.107 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 106 :APHDKATNT 1dhpA 108 :NRPSQEGLY Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97327 Ang CD2(18) at 17.1109 82.7761 96.1344 in (null):H-9999 (3) and CG2(49) at 19.3591 82.4613 98.0545 in (null):T-9999 (7) other bump:2.54057 Ang CB(16) at 18.7612 84.6364 96.8858 in (null):H-9999 (3) and CG2(49) at 19.3591 82.4613 98.0545 in (null):T-9999 (7) other bump:2.60264 Ang CG(17) at 18.2069 83.562 95.9967 in (null):H-9999 (3) and CG2(49) at 19.3591 82.4613 98.0545 in (null):T-9999 (7) other bump:2.92637 Ang CB(16) at 18.7612 84.6364 96.8858 in (null):H-9999 (3) and CB(48) at 19.6914 83.2639 99.2972 in (null):T-9999 (7) other bump:2.32259 Ang OD2(29) at 19.4016 84.6949 101.954 in (null):D-9999 (4) and N(46) at 21.281 83.629 101.102 in (null):T-9999 (7) Number of specific fragments= 1 total=1409 # 1dbiA.107.109 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 107 :PHDKATNTQ 1dbiA 110 :SGTLSDIAD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.93351 Ang C(1) at 19.607 -8.924 22.148 in (null):G-9999 (0) and CD(6) at 20.7892 -10.4449 22.3145 in (null):P-9999 (1) neighbor-bump: 2.81414 Ang C(1) at 19.607 -8.924 22.148 in (null):G-9999 (0) and CG(5) at 19.976 -11.6792 22.5861 in (null):P-9999 (1) Number of specific fragments= 1 total=1410 # 1pbwA.107.109 read from T0147_twice.t2k.frag # adding 1pbwA to template set 1pbwA:# found chain 1pbwA in template set T0147_twice 107 :PHDKATNTQ 1pbwA 213 :VQSSEEYIQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42111 Ang OD1(23) at 14.4044 20.4398 -32.809 in (null):D-9999 (3) and OG1(45) at 16.2858 21.9601 -32.9123 in (null):T-9999 (6) other bump:2.75475 Ang OD1(23) at 14.4044 20.4398 -32.809 in (null):D-9999 (3) and CB(43) at 15.6379 22.7068 -31.8458 in (null):T-9999 (6) Number of specific fragments= 1 total=1411 # 1dhpA.107.108 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 107 :PHDKATNTQ 1dhpA 109 :RPSQEGLYQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60264 Ang CG(12) at 18.2069 83.562 95.9967 in (null):H-9999 (2) and CG2(44) at 19.3591 82.4613 98.0545 in (null):T-9999 (6) other bump:2.97327 Ang CD2(13) at 17.1109 82.7761 96.1344 in (null):H-9999 (2) and CG2(44) at 19.3591 82.4613 98.0545 in (null):T-9999 (6) other bump:2.54057 Ang CB(11) at 18.7612 84.6364 96.8858 in (null):H-9999 (2) and CG2(44) at 19.3591 82.4613 98.0545 in (null):T-9999 (6) other bump:2.92637 Ang CB(11) at 18.7612 84.6364 96.8858 in (null):H-9999 (2) and CB(43) at 19.6914 83.2639 99.2972 in (null):T-9999 (6) other bump:2.32259 Ang OD2(24) at 19.4016 84.6949 101.954 in (null):D-9999 (3) and N(41) at 21.281 83.629 101.102 in (null):T-9999 (6) Number of specific fragments= 1 total=1412 # 1thm.107.109 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 107 :PHDKATNTQ 1thm 110 :GTWTAVANG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.869 Ang CD2(13) at 15.021 24.0981 32.0235 in (null):H-9999 (2) and CB(29) at 13.3957 21.737 32.1453 in (null):K-9999 (4) other bump:2.58336 Ang CD2(13) at 15.021 24.0981 32.0235 in (null):H-9999 (2) and N(27) at 15.332 21.899 30.704 in (null):K-9999 (4) neighbor-bump: 1.7468 Ang C(1) at 15.711 28.951 23.883 in (null):G-9999 (0) and CD(6) at 16.6931 27.5087 23.9636 in (null):P-9999 (1) Number of specific fragments= 1 total=1413 # 1afrA.107.107 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 107 :PHDKATNTQ 1afrA 126 :GASPTSWAI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 0.875788 Ang O(0) at 70.909 17.915 -7.998 in (null):G-9999 (0) and CD(6) at 71.5727 18.4624 -7.83421 in (null):P-9999 (1) neighbor-bump: 0.602621 Ang C(1) at 71.418 19.033 -7.951 in (null):G-9999 (0) and CD(6) at 71.5727 18.4624 -7.83421 in (null):P-9999 (1) neighbor-bump: 1.01146 Ang O(0) at 70.909 17.915 -7.998 in (null):G-9999 (0) and CG(5) at 70.2429 18.0719 -7.25317 in (null):P-9999 (1) neighbor-bump: 1.67075 Ang C(1) at 71.418 19.033 -7.951 in (null):G-9999 (0) and CG(5) at 70.2429 18.0719 -7.25317 in (null):P-9999 (1) self-bump: 2.21392 Ang N(2) at 71.771 19.612 -6.812 in (null):P-9999 (1) and CG(5) at 70.2429 18.0719 -7.25317 in (null):P-9999 (1) neighbor-bump: 2.22446 Ang O(0) at 70.909 17.915 -7.998 in (null):G-9999 (0) and CB(4) at 70.5533 17.8771 -5.80248 in (null):P-9999 (1) neighbor-bump: 2.58842 Ang C(1) at 71.418 19.033 -7.951 in (null):G-9999 (0) and CB(4) at 70.5533 17.8771 -5.80248 in (null):P-9999 (1) Number of specific fragments= 1 total=1414 # 1ak4C.107.107 read from T0147_twice.t2k.frag # found chain 1ak4C in template set T0147_twice 107 :PHDKATNTQ 1ak4C 508 :TSTLQEQIG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36542 Ang OD2(24) at 22.6667 13.6565 30.9546 in (null):D-9999 (3) and OG1(45) at 24.3767 14.6537 32.2494 in (null):T-9999 (6) neighbor-bump: 2.02423 Ang C(1) at 27.931 13.215 22.741 in (null):G-9999 (0) and CD(6) at 29.5979 14.1972 23.3362 in (null):P-9999 (1) Number of specific fragments= 1 total=1415 # 1dbiA.108.110 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 108 :HDKATNTQA 1dbiA 111 :GTLSDIADA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1416 # 1pbwA.108.110 read from T0147_twice.t2k.frag # found chain 1pbwA in template set T0147_twice 108 :HDKATNTQA 1pbwA 214 :QSSEEYIQL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.4211 Ang OD1(16) at 14.4044 20.4398 -32.809 in (null):D-9999 (2) and OG1(38) at 16.2858 21.9601 -32.9123 in (null):T-9999 (5) other bump:2.75474 Ang OD1(16) at 14.4044 20.4398 -32.809 in (null):D-9999 (2) and CB(36) at 15.6379 22.7068 -31.8458 in (null):T-9999 (5) Number of specific fragments= 1 total=1417 # 1dhpA.108.109 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 108 :HDKATNTQA 1dhpA 110 :PSQEGLYQH Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67102 Ang CG(5) at 19.9389 84.9269 96.1938 in (null):H-9999 (1) and OD1(46) at 22.4228 85.819 95.783 in (null):N-9999 (6) other bump:1.72531 Ang CD2(6) at 21.2391 84.8335 96.5603 in (null):H-9999 (1) and OD1(46) at 22.4228 85.819 95.783 in (null):N-9999 (6) other bump:1.76546 Ang CE1(8) at 21.1821 85.6733 94.5354 in (null):H-9999 (1) and OD1(46) at 22.4228 85.819 95.783 in (null):N-9999 (6) other bump:0.724335 Ang NE2(9) at 21.9925 85.3035 95.5114 in (null):H-9999 (1) and OD1(46) at 22.4228 85.819 95.783 in (null):N-9999 (6) other bump:2.48639 Ang CD2(6) at 21.2391 84.8335 96.5603 in (null):H-9999 (1) and CG(44) at 23.1564 86.4165 96.5718 in (null):N-9999 (6) other bump:1.92821 Ang NE2(9) at 21.9925 85.3035 95.5114 in (null):H-9999 (1) and CG(44) at 23.1564 86.4165 96.5718 in (null):N-9999 (6) other bump:2.85379 Ang CD2(6) at 21.2391 84.8335 96.5603 in (null):H-9999 (1) and CA(42) at 23.773 84.366 97.787 in (null):N-9999 (6) other bump:2.67192 Ang CD2(6) at 21.2391 84.8335 96.5603 in (null):H-9999 (1) and N(41) at 22.667 84.117 98.702 in (null):N-9999 (6) other bump:3.16966 Ang CD2(6) at 21.2391 84.8335 96.5603 in (null):H-9999 (1) and C(40) at 22.157 82.907 98.904 in (null):T-9999 (5) other bump:2.48119 Ang CB(4) at 18.679 84.559 96.9173 in (null):H-9999 (1) and CG2(37) at 19.3591 82.4613 98.0545 in (null):T-9999 (5) other bump:2.89243 Ang CB(4) at 18.679 84.559 96.9173 in (null):H-9999 (1) and CB(36) at 19.6914 83.2639 99.2972 in (null):T-9999 (5) other bump:2.32259 Ang OD2(17) at 19.4016 84.6949 101.954 in (null):D-9999 (2) and N(34) at 21.281 83.629 101.102 in (null):T-9999 (5) Number of specific fragments= 1 total=1418 # 1qs0A.108.108 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 108 :HDKATNTQA 1qs0A 110 :LGEEAIGSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1419 # 1ak4C.108.108 read from T0147_twice.t2k.frag # found chain 1ak4C in template set T0147_twice 108 :HDKATNTQA 1ak4C 509 :STLQEQIGW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36542 Ang OD2(17) at 22.6667 13.6564 30.9546 in (null):D-9999 (2) and OG1(38) at 24.3767 14.6537 32.2494 in (null):T-9999 (5) Number of specific fragments= 1 total=1420 # 1thm.108.108 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 108 :HDKATNTQA 1thm 109 :SGTWTAVAN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20568 Ang OD2(17) at 12.7464 24.9953 24.6541 in (null):D-9999 (2) and ND2(45) at 11.406 23.2571 24.871 in (null):N-9999 (6) Number of specific fragments= 1 total=1421 # 1dbiA.109.111 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 109 :DKATNTQAM 1dbiA 112 :TLSDIADAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1422 # 1pbwA.109.111 read from T0147_twice.t2k.frag # found chain 1pbwA in template set T0147_twice 109 :DKATNTQAM 1pbwA 215 :SSEEYIQLL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.4211 Ang OD1(6) at 14.4044 20.4398 -32.809 in (null):D-9999 (1) and OG1(28) at 16.2858 21.9601 -32.9123 in (null):T-9999 (4) other bump:2.75474 Ang OD1(6) at 14.4044 20.4398 -32.809 in (null):D-9999 (1) and CB(26) at 15.6379 22.7068 -31.8458 in (null):T-9999 (4) Number of specific fragments= 1 total=1423 # 1dhpA.109.110 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 109 :DKATNTQAM 1dhpA 111 :SQEGLYQHF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32259 Ang OD2(7) at 19.4016 84.6949 101.954 in (null):D-9999 (1) and N(24) at 21.281 83.629 101.102 in (null):T-9999 (4) Number of specific fragments= 1 total=1424 # 1qs0A.109.109 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 109 :DKATNTQAM 1qs0A 111 :GEEAIGSGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1425 # 1ak4C.109.109 read from T0147_twice.t2k.frag # found chain 1ak4C in template set T0147_twice 109 :DKATNTQAM 1ak4C 510 :TLQEQIGWM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1426 # 1brmA.109.110 read from T0147_twice.t2k.frag # adding 1brmA to template set 1brmA:# found chain 1brmA in template set T0147_twice 109 :DKATNTQAM 1brmA 111 :LDPVNQDVI Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8375 Ang CA(11) at 38.797 39.351 18.562 in (null):K-9999 (2) and CG2(42) at 36.0282 39.9114 18.8289 in (null):T-9999 (6) other bump:2.2224 Ang O(17) at 36.89 37.953 18.228 in (null):K-9999 (2) and CG2(42) at 36.0282 39.9114 18.8289 in (null):T-9999 (6) other bump:2.72966 Ang C(18) at 37.983 38.315 17.789 in (null):K-9999 (2) and CG2(42) at 36.0282 39.9114 18.8289 in (null):T-9999 (6) other bump:2.55531 Ang CG(13) at 37.4657 41.1176 17.0945 in (null):K-9999 (2) and CG2(42) at 36.0282 39.9114 18.8289 in (null):T-9999 (6) other bump:1.84831 Ang O(8) at 40.096 36.957 19.24 in (null):D-9999 (1) and OG1(28) at 40.5839 35.1743 19.2452 in (null):T-9999 (4) other bump:2.38293 Ang CG(5) at 42.6936 35.6637 18.2512 in (null):D-9999 (1) and OG1(28) at 40.5839 35.1743 19.2452 in (null):T-9999 (4) other bump:2.32089 Ang OD2(7) at 42.6434 34.4347 18.4717 in (null):D-9999 (1) and OG1(28) at 40.5839 35.1743 19.2452 in (null):T-9999 (4) other bump:2.66896 Ang CB(4) at 42.8473 36.5742 19.447 in (null):D-9999 (1) and OG1(28) at 40.5839 35.1743 19.2452 in (null):T-9999 (4) other bump:2.81117 Ang C(9) at 40.765 37.973 19.053 in (null):D-9999 (1) and OG1(28) at 40.5839 35.1743 19.2452 in (null):T-9999 (4) other bump:2.67616 Ang OD2(7) at 42.6434 34.4347 18.4717 in (null):D-9999 (1) and CG2(27) at 40.3194 33.4597 17.5717 in (null):T-9999 (4) Number of specific fragments= 1 total=1427 # 1brmA.110.111 read from T0147_twice.t2k.frag # found chain 1brmA in template set T0147_twice 110 :KATNTQAMI 1brmA 112 :DPVNQDVIT Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72966 Ang C(10) at 37.983 38.315 17.789 in (null):K-9999 (1) and CG2(34) at 36.0282 39.9114 18.8289 in (null):T-9999 (5) other bump:2.2224 Ang O(9) at 36.89 37.953 18.228 in (null):K-9999 (1) and CG2(34) at 36.0282 39.9114 18.8289 in (null):T-9999 (5) other bump:2.55532 Ang CG(5) at 37.4657 41.1176 17.0945 in (null):K-9999 (1) and CG2(34) at 36.0282 39.9114 18.8289 in (null):T-9999 (5) other bump:2.8375 Ang CA(3) at 38.797 39.351 18.562 in (null):K-9999 (1) and CG2(34) at 36.0282 39.9114 18.8289 in (null):T-9999 (5) other bump:1.84831 Ang O(0) at 40.096 36.957 19.24 in (null):G-9999 (0) and OG1(20) at 40.5839 35.1743 19.2452 in (null):T-9999 (3) other bump:2.81117 Ang C(1) at 40.765 37.973 19.053 in (null):G-9999 (0) and OG1(20) at 40.5839 35.1743 19.2452 in (null):T-9999 (3) Number of specific fragments= 1 total=1428 # 1pbwA.110.112 read from T0147_twice.t2k.frag # found chain 1pbwA in template set T0147_twice 110 :KATNTQAMI 1pbwA 216 :SEEYIQLLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1429 # 1dbiA.110.112 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 110 :KATNTQAMI 1dbiA 113 :LSDIADAII Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1430 # 1dhpA.110.111 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 110 :KATNTQAMI 1dhpA 112 :QEGLYQHFK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7624 Ang CG2(34) at 27.6936 82.433 102.214 in (null):T-9999 (5) and CD1(65) at 28.475 79.8261 101.741 in (null):I-9999 (9) Number of specific fragments= 1 total=1431 # 1qs0A.110.110 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 110 :KATNTQAMI 1qs0A 112 :EEAIGSGQA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1432 # 1afrA.110.112 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 110 :KATNTQAMI 1afrA 131 :SWAIWTRAW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52079 Ang CG2(34) at 76.3364 28.6378 3.26409 in (null):T-9999 (5) and CD1(65) at 74.666 28.2454 5.11073 in (null):I-9999 (9) other bump:2.63701 Ang ND2(27) at 81.146 24.1968 1.12165 in (null):N-9999 (4) and SD(56) at 80.3128 23.3081 3.46043 in (null):M-9999 (8) other bump:3.26764 Ang OD1(28) at 80.3072 22.2935 0.354298 in (null):N-9999 (4) and SD(56) at 80.3128 23.3081 3.46043 in (null):M-9999 (8) Number of specific fragments= 1 total=1433 # 1brmA.111.112 read from T0147_twice.t2k.frag # found chain 1brmA in template set T0147_twice 111 :ATNTQAMIA 1brmA 113 :PVNQDVITD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2224 Ang O(0) at 36.89 37.953 18.228 in (null):G-9999 (0) and CG2(25) at 36.0282 39.9114 18.8289 in (null):T-9999 (4) other bump:2.72966 Ang C(1) at 37.983 38.315 17.789 in (null):G-9999 (0) and CG2(25) at 36.0282 39.9114 18.8289 in (null):T-9999 (4) Number of specific fragments= 1 total=1434 # 1pbwA.111.113 read from T0147_twice.t2k.frag # found chain 1pbwA in template set T0147_twice 111 :ATNTQAMIA 1pbwA 217 :EEYIQLLKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1435 # 1dbiA.111.113 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 111 :ATNTQAMIA 1dbiA 114 :SDIADAIIY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1436 # 1dhpA.111.112 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 111 :ATNTQAMIA 1dhpA 113 :EGLYQHFKA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76239 Ang CG2(25) at 27.6936 82.433 102.214 in (null):T-9999 (4) and CD1(56) at 28.475 79.8261 101.741 in (null):I-9999 (8) Number of specific fragments= 1 total=1437 # 1qs0A.111.111 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 111 :ATNTQAMIA 1qs0A 113 :EAIGSGQAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1438 # 1afrA.111.113 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 111 :ATNTQAMIA 1afrA 132 :WAIWTRAWT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52079 Ang CG2(25) at 76.3364 28.6378 3.26409 in (null):T-9999 (4) and CD1(56) at 74.666 28.2454 5.11074 in (null):I-9999 (8) other bump:3.26764 Ang OD1(19) at 80.3072 22.2935 0.354298 in (null):N-9999 (3) and SD(47) at 80.3128 23.3081 3.46043 in (null):M-9999 (7) other bump:2.63701 Ang ND2(18) at 81.146 24.1968 1.12165 in (null):N-9999 (3) and SD(47) at 80.3128 23.3081 3.46043 in (null):M-9999 (7) Number of specific fragments= 1 total=1439 # 1brmA.112.113 read from T0147_twice.t2k.frag # found chain 1brmA in template set T0147_twice 112 :TNTQAMIAT 1brmA 114 :VNQDVITDG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1440 # 1pbwA.112.114 read from T0147_twice.t2k.frag # found chain 1pbwA in template set T0147_twice 112 :TNTQAMIAT 1pbwA 218 :EYIQLLKKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1441 # 1dbiA.112.114 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 112 :TNTQAMIAT 1dbiA 115 :DIADAIIYA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1442 # 1dhpA.112.113 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 112 :TNTQAMIAT 1dhpA 114 :GLYQHFKAI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76239 Ang CG2(20) at 27.6936 82.433 102.214 in (null):T-9999 (3) and CD1(51) at 28.475 79.8261 101.741 in (null):I-9999 (7) Number of specific fragments= 1 total=1443 # 1qs0A.112.112 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 112 :TNTQAMIAT 1qs0A 114 :AIGSGQALA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1444 # 1afrA.112.114 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 112 :TNTQAMIAT 1afrA 133 :AIWTRAWTA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52079 Ang CG2(20) at 76.3364 28.6378 3.26409 in (null):T-9999 (3) and CD1(51) at 74.666 28.2454 5.11074 in (null):I-9999 (7) other bump:2.63701 Ang ND2(13) at 81.146 24.1968 1.12166 in (null):N-9999 (2) and SD(42) at 80.3128 23.3081 3.46043 in (null):M-9999 (6) other bump:3.26763 Ang OD1(14) at 80.3072 22.2935 0.354305 in (null):N-9999 (2) and SD(42) at 80.3128 23.3081 3.46043 in (null):M-9999 (6) Number of specific fragments= 1 total=1445 # 1brmA.113.114 read from T0147_twice.t2k.frag # found chain 1brmA in template set T0147_twice 113 :NTQAMIATI 1brmA 115 :NQDVITDGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1446 # 1pbwA.113.115 read from T0147_twice.t2k.frag # found chain 1pbwA in template set T0147_twice 113 :NTQAMIATI 1pbwA 219 :YIQLLKKLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1447 # 1dbiA.113.115 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 113 :NTQAMIATI 1dbiA 116 :IADAIIYAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1448 # 1dhpA.113.114 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 113 :NTQAMIATI 1dhpA 115 :LYQHFKAIA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76239 Ang CG2(13) at 27.6936 82.433 102.214 in (null):T-9999 (2) and CD1(44) at 28.475 79.8261 101.741 in (null):I-9999 (6) Number of specific fragments= 1 total=1449 # 1qs0A.113.113 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 113 :NTQAMIATI 1qs0A 115 :IGSGQALAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.52997 Ang CG2(63) at 14.6165 -21.9164 95.4457 in (null):I-9999 (9) and N(67) at 16.633 -22.955 94.325 in (null):G-9999 (10) Number of specific fragments= 1 total=1450 # 1afrA.113.115 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 113 :NTQAMIATI 1afrA 134 :IWTRAWTAE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52078 Ang CG2(13) at 76.3364 28.6378 3.2641 in (null):T-9999 (2) and CD1(44) at 74.666 28.2454 5.11074 in (null):I-9999 (6) other bump:2.63701 Ang ND2(6) at 81.146 24.1968 1.12166 in (null):N-9999 (1) and SD(35) at 80.3128 23.3081 3.46043 in (null):M-9999 (5) other bump:3.26763 Ang OD1(7) at 80.3072 22.2935 0.354304 in (null):N-9999 (1) and SD(35) at 80.3128 23.3081 3.46043 in (null):M-9999 (5) Number of specific fragments= 1 total=1451 # 1brmA.114.115 read from T0147_twice.t2k.frag # found chain 1brmA in template set T0147_twice 114 :TQAMIATIA 1brmA 116 :QDVITDGLN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1452 # 1pbwA.114.116 read from T0147_twice.t2k.frag # found chain 1pbwA in template set T0147_twice 114 :TQAMIATIA 1pbwA 220 :IQLLKKLIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1453 # 1dbiA.114.116 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 114 :TQAMIATIA 1dbiA 117 :ADAIIYAAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1454 # 1dhpA.114.115 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 114 :TQAMIATIA 1dhpA 116 :YQHFKAIAE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7624 Ang CG2(5) at 27.6936 82.433 102.214 in (null):T-9999 (1) and CD1(36) at 28.475 79.8261 101.741 in (null):I-9999 (5) Number of specific fragments= 1 total=1455 # 1qs0A.114.114 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 114 :TQAMIATIA 1qs0A 116 :GSGQALALN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21571 Ang O(37) at 12.457 -25.238 94.081 in (null):I-9999 (5) and CG2(55) at 13.3485 -23.4247 94.9901 in (null):I-9999 (8) other bump:3.09175 Ang C(38) at 11.253 -25.396 93.858 in (null):I-9999 (5) and CG2(55) at 13.3485 -23.4247 94.9901 in (null):I-9999 (8) Number of specific fragments= 1 total=1456 # 1in4A.114.118 read from T0147_twice.t2k.frag # adding 1in4A to template set 1in4A:Skipped atom 1510, because occupancy 0.35 <= existing 0.420001 Skipped atom 1511, because occupancy 0.23 <= existing 0.420001 Skipped atom 1513, because occupancy 0.35 <= existing 0.420001 Skipped atom 1514, because occupancy 0.23 <= existing 0.420001 Skipped atom 1516, because occupancy 0.35 <= existing 0.420001 Skipped atom 1517, because occupancy 0.23 <= existing 0.420001 Skipped atom 1519, because occupancy 0.35 <= existing 0.420001 Skipped atom 1520, because occupancy 0.23 <= existing 0.420001 Skipped atom 1522, because occupancy 0.35 <= existing 0.420001 Skipped atom 1523, because occupancy 0.23 <= existing 0.420001 Skipped atom 1525, because occupancy 0.35 <= existing 0.420001 Skipped atom 1526, because occupancy 0.23 <= existing 0.420001 Skipped atom 1528, because occupancy 0.35 <= existing 0.420001 Skipped atom 1529, because occupancy 0.23 <= existing 0.420001 Skipped atom 1531, because occupancy 0.35 <= existing 0.420001 Skipped atom 1532, because occupancy 0.23 <= existing 0.420001 Skipped atom 1534, because occupancy 0.35 <= existing 0.420001 Skipped atom 1535, because occupancy 0.23 <= existing 0.420001 Skipped atom 2008, because occupancy 0.26 <= existing 0.740001 Skipped atom 2010, because occupancy 0.26 <= existing 0.740001 Skipped atom 2012, because occupancy 0.26 <= existing 0.740001 Skipped atom 2014, because occupancy 0.26 <= existing 0.740001 Skipped atom 2016, because occupancy 0.26 <= existing 0.740001 Skipped atom 2018, because occupancy 0.26 <= existing 0.740001 Skipped atom 2082, because occupancy 0.36 <= existing 0.640001 Skipped atom 2084, because occupancy 0.36 <= existing 0.640001 Skipped atom 2086, because occupancy 0.36 <= existing 0.640001 Skipped atom 2088, because occupancy 0.36 <= existing 0.640001 Skipped atom 2090, because occupancy 0.36 <= existing 0.640001 Skipped atom 2092, because occupancy 0.36 <= existing 0.640001 Skipped atom 2094, because occupancy 0.36 <= existing 0.640001 Skipped atom 2096, because occupancy 0.36 <= existing 0.640001 Skipped atom 2098, because occupancy 0.36 <= existing 0.640001 # found chain 1in4A in template set T0147_twice 114 :TQAMIATIA 1in4A 119 :EELLYSAIE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56422 Ang O(29) at 61.753 2.6 -29.944 in (null):M-9999 (4) and CG2(47) at 60.7576 2.32155 -32.2907 in (null):T-9999 (7) Number of specific fragments= 1 total=1457 # 1brmA.115.116 read from T0147_twice.t2k.frag # found chain 1brmA in template set T0147_twice 115 :QAMIATIAS 1brmA 117 :DVITDGLNN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1458 # 1pbwA.115.117 read from T0147_twice.t2k.frag # found chain 1pbwA in template set T0147_twice 115 :QAMIATIAS 1pbwA 221 :QLLKKLIRS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1459 # 1dbiA.115.117 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 115 :QAMIATIAS 1dbiA 118 :DAIIYAADS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1460 # 1dhpA.115.116 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 115 :QAMIATIAS 1dhpA 117 :QHFKAIAEH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1461 # 1nfkA.115.115 read from T0147_twice.t2k.frag # adding 1nfkA to template set 1nfkA:# found chain 1nfkA in template set T0147_twice 115 :QAMIATIAS 1nfkA 154 :RMTEACIRG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1462 # 1b8pA.115.115 read from T0147_twice.t2k.frag # adding 1b8pA to template set 1b8pA:# found chain 1b8pA in template set T0147_twice 115 :QAMIATIAS 1b8pA 116 :GKAIDAVAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1463 # 1brmA.116.117 read from T0147_twice.t2k.frag # found chain 1brmA in template set T0147_twice 116 :AMIATIASG 1brmA 118 :VITDGLNNG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1464 # 1pbwA.116.118 read from T0147_twice.t2k.frag # found chain 1pbwA in template set T0147_twice 116 :AMIATIASG 1pbwA 222 :LLKKLIRSP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1465 # 1dbiA.116.118 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 116 :AMIATIASG 1dbiA 119 :AIIYAADSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1466 # 1dhpA.116.117 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 116 :AMIATIASG 1dhpA 118 :HFKAIAEHT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1467 # 1b8pA.116.116 read from T0147_twice.t2k.frag # found chain 1b8pA in template set T0147_twice 116 :AMIATIASG 1b8pA 117 :KAIDAVASR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1468 # 1nfkA.116.116 read from T0147_twice.t2k.frag # found chain 1nfkA in template set T0147_twice 116 :AMIATIASG 1nfkA 155 :MTEACIRGY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1469 # 1dhpA.117.118 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 117 :MIATIASGN 1dhpA 119 :FKAIAEHTD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1470 # 1brmA.117.118 read from T0147_twice.t2k.frag # found chain 1brmA in template set T0147_twice 117 :MIATIASGN 1brmA 119 :ITDGLNNGI Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30637 Ang CG2(26) at 39.8554 43.5092 30.0191 in (null):T-9999 (4) and OD1(58) at 41.4333 43.7656 31.6816 in (null):N-9999 (9) other bump:2.54709 Ang CB(25) at 38.6032 42.8696 29.4517 in (null):T-9999 (4) and ND2(57) at 39.2072 44.2132 31.5296 in (null):N-9999 (9) other bump:2.52721 Ang CA(24) at 37.302 43.572 29.998 in (null):T-9999 (4) and ND2(57) at 39.2072 44.2132 31.5296 in (null):N-9999 (9) other bump:2.77063 Ang C(29) at 37.313 45.059 29.693 in (null):T-9999 (4) and ND2(57) at 39.2072 44.2132 31.5296 in (null):N-9999 (9) other bump:1.78806 Ang CG2(26) at 39.8554 43.5092 30.0191 in (null):T-9999 (4) and ND2(57) at 39.2072 44.2132 31.5296 in (null):N-9999 (9) other bump:3.08961 Ang CB(25) at 38.6032 42.8696 29.4517 in (null):T-9999 (4) and CG(56) at 40.4896 44.4701 31.3026 in (null):N-9999 (9) other bump:1.72413 Ang CG2(26) at 39.8554 43.5092 30.0191 in (null):T-9999 (4) and CG(56) at 40.4896 44.4701 31.3026 in (null):N-9999 (9) other bump:2.41586 Ang CG2(26) at 39.8554 43.5092 30.0191 in (null):T-9999 (4) and CB(55) at 40.7682 45.6948 30.4954 in (null):N-9999 (9) Number of specific fragments= 1 total=1471 # 1pbwA.117.119 read from T0147_twice.t2k.frag # found chain 1pbwA in template set T0147_twice 117 :MIATIASGN 1pbwA 223 :LKKLIRSPS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.95446 Ang OG(46) at 23.545 33.784 -19.695 in (null):S-9999 (7) and OD1(58) at 23.39 35.4861 -18.7469 in (null):N-9999 (9) Number of specific fragments= 1 total=1472 # 1dbiA.117.119 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 117 :MIATIASGN 1dbiA 120 :IIYAADSGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1473 # 1b8pA.117.117 read from T0147_twice.t2k.frag # found chain 1b8pA in template set T0147_twice 117 :MIATIASGN 1b8pA 118 :AIDAVASRN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1474 # 1iu8A.117.117 read from T0147_twice.t2k.frag # adding 1iu8A to template set 1iu8A:# found chain 1iu8A in template set T0147_twice 117 :MIATIASGN 1iu8A 118 :VEEMKKNGI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75428 Ang CG2(26) at 39.6827 70.6465 24.5053 in (null):T-9999 (4) and CG(56) at 37.0825 70.8878 25.3809 in (null):N-9999 (9) other bump:2.62996 Ang CG2(26) at 39.6827 70.6465 24.5053 in (null):T-9999 (4) and CB(55) at 38.0475 71.4865 26.3861 in (null):N-9999 (9) Number of specific fragments= 1 total=1475 # 1dhpA.118.119 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 118 :IATIASGNV 1dhpA 120 :KAIAEHTDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1476 # 1pbwA.118.120 read from T0147_twice.t2k.frag # found chain 1pbwA in template set T0147_twice 118 :IATIASGNV 1pbwA 224 :KKLIRSPSI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.95446 Ang OG(38) at 23.545 33.784 -19.695 in (null):S-9999 (6) and OD1(50) at 23.39 35.4861 -18.7469 in (null):N-9999 (8) Number of specific fragments= 1 total=1477 # 1b8pA.118.118 read from T0147_twice.t2k.frag # found chain 1b8pA in template set T0147_twice 118 :IATIASGNV 1b8pA 119 :IDAVASRNI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1478 # 1iu8A.118.118 read from T0147_twice.t2k.frag # found chain 1iu8A in template set T0147_twice 118 :IATIASGNV 1iu8A 119 :EEMKKNGIP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1479 # 1brmA.118.119 read from T0147_twice.t2k.frag # found chain 1brmA in template set T0147_twice 118 :IATIASGNV 1brmA 120 :TDGLNNGIR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.12258 Ang CG2(18) at 39.8554 43.5092 30.0191 in (null):T-9999 (3) and OD1(50) at 39.4371 44.1354 32.0037 in (null):N-9999 (8) other bump:2.61639 Ang CG2(18) at 39.8554 43.5092 30.0191 in (null):T-9999 (3) and CG(48) at 40.4695 44.8238 32.1964 in (null):N-9999 (8) other bump:2.6243 Ang CG2(18) at 39.8554 43.5092 30.0191 in (null):T-9999 (3) and CB(47) at 41.09 45.5856 31.0446 in (null):N-9999 (8) Number of specific fragments= 1 total=1480 # 1thm.118.120 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 118 :IATIASGNV 1thm 121 :YAADQGAKV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59646 Ang CD1(7) at 6.04707 12.4991 24.219 in (null):I-9999 (1) and CD1(27) at 6.84456 10.3114 25.3678 in (null):I-9999 (4) Number of specific fragments= 1 total=1481 # 1b8pA.119.119 read from T0147_twice.t2k.frag # found chain 1b8pA in template set T0147_twice 119 :ATIASGNVH 1b8pA 120 :DAVASRNIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1482 # 1dhpA.119.120 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 119 :ATIASGNVH 1dhpA 121 :AIAEHTDLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1483 # 1pbwA.119.121 read from T0147_twice.t2k.frag # found chain 1pbwA in template set T0147_twice 119 :ATIASGNVH 1pbwA 225 :KLIRSPSIP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.95446 Ang OG(30) at 23.545 33.784 -19.695 in (null):S-9999 (5) and OD1(42) at 23.39 35.4861 -18.7469 in (null):N-9999 (7) Number of specific fragments= 1 total=1484 # 1brmA.119.120 read from T0147_twice.t2k.frag # found chain 1brmA in template set T0147_twice 119 :ATIASGNVH 1brmA 121 :DGLNNGIRT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.08481 Ang CG2(49) at 44.6101 50.5326 31.3882 in (null):V-9999 (8) and ND1(57) at 47.1396 48.8081 31.0097 in (null):H-9999 (9) other bump:2.12258 Ang CG2(10) at 39.8554 43.5092 30.0191 in (null):T-9999 (2) and OD1(42) at 39.4371 44.1354 32.0037 in (null):N-9999 (7) other bump:2.61639 Ang CG2(10) at 39.8554 43.5092 30.0191 in (null):T-9999 (2) and CG(40) at 40.4695 44.8238 32.1964 in (null):N-9999 (7) other bump:2.6243 Ang CG2(10) at 39.8554 43.5092 30.0191 in (null):T-9999 (2) and CB(39) at 41.09 45.5856 31.0446 in (null):N-9999 (7) Number of specific fragments= 1 total=1485 # 1iu8A.119.119 read from T0147_twice.t2k.frag # found chain 1iu8A in template set T0147_twice 119 :ATIASGNVH 1iu8A 120 :EMKKNGIPA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60155 Ang CG1(17) at 42.8854 67.5608 27.6537 in (null):I-9999 (3) and NE2(59) at 42.9159 68.4265 25.2006 in (null):H-9999 (9) other bump:2.98507 Ang CB(9) at 41.1248 70.6423 24.0369 in (null):T-9999 (2) and CE1(58) at 43.0349 68.3529 23.8933 in (null):H-9999 (9) other bump:3.00118 Ang CB(9) at 41.1248 70.6423 24.0369 in (null):T-9999 (2) and ND1(57) at 41.939 67.8298 23.3782 in (null):H-9999 (9) other bump:3.13175 Ang CB(9) at 41.1248 70.6423 24.0369 in (null):T-9999 (2) and CD2(56) at 41.6588 67.9475 25.5405 in (null):H-9999 (9) other bump:2.47383 Ang CG1(17) at 42.8854 67.5608 27.6537 in (null):I-9999 (3) and CD2(56) at 41.6588 67.9475 25.5405 in (null):H-9999 (9) other bump:3.11634 Ang CB(9) at 41.1248 70.6423 24.0369 in (null):T-9999 (2) and CG(55) at 41.0512 67.5484 24.4026 in (null):H-9999 (9) Number of specific fragments= 1 total=1486 # 1thm.119.121 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 119 :ATIASGNVH 1thm 122 :AADQGAKVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1487 # 1b8pA.120.120 read from T0147_twice.t2k.frag # found chain 1b8pA in template set T0147_twice 120 :TIASGNVHI 1b8pA 121 :AVASRNIKV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1488 # 1iu8A.120.120 read from T0147_twice.t2k.frag # found chain 1iu8A in template set T0147_twice 120 :TIASGNVHI 1iu8A 121 :MKKNGIPAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1489 # 1dhpA.120.121 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 120 :TIASGNVHI 1dhpA 122 :IAEHTDLPQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1490 # 1thm.120.122 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 120 :TIASGNVHI 1thm 123 :ADQGAKVIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1491 # 1brmA.120.121 read from T0147_twice.t2k.frag # found chain 1brmA in template set T0147_twice 120 :TIASGNVHI 1brmA 122 :GLNNGIRTF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.08481 Ang CG2(44) at 44.6101 50.5326 31.3882 in (null):V-9999 (7) and ND1(52) at 47.1396 48.8081 31.0097 in (null):H-9999 (8) other bump:2.12258 Ang CG2(5) at 39.8554 43.5092 30.0191 in (null):T-9999 (1) and OD1(37) at 39.4371 44.1354 32.0037 in (null):N-9999 (6) other bump:2.6164 Ang CG2(5) at 39.8554 43.5092 30.0191 in (null):T-9999 (1) and CG(35) at 40.4695 44.8238 32.1964 in (null):N-9999 (6) other bump:2.62431 Ang CG2(5) at 39.8554 43.5092 30.0191 in (null):T-9999 (1) and CB(34) at 41.09 45.5856 31.0446 in (null):N-9999 (6) Number of specific fragments= 1 total=1492 # 1pbwA.120.122 read from T0147_twice.t2k.frag # found chain 1pbwA in template set T0147_twice 120 :TIASGNVHI 1pbwA 226 :LIRSPSIPH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.95446 Ang OG(25) at 23.545 33.784 -19.695 in (null):S-9999 (4) and OD1(37) at 23.39 35.4861 -18.7469 in (null):N-9999 (6) Number of specific fragments= 1 total=1493 # 1b8pA.121.121 read from T0147_twice.t2k.frag # found chain 1b8pA in template set T0147_twice 121 :IASGNVHII 1b8pA 122 :VASRNIKVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1494 # 1thm.121.123 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 121 :IASGNVHII 1thm 124 :DQGAKVISL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05319 Ang NE2(47) at 16.2577 15.4557 20.567 in (null):H-9999 (7) and CG1(61) at 18.6267 17.1882 19.7252 in (null):I-9999 (9) Number of specific fragments= 1 total=1495 # 1iu8A.121.121 read from T0147_twice.t2k.frag # found chain 1iu8A in template set T0147_twice 121 :IASGNVHII 1iu8A 122 :KKNGIPAVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1496 # 1brmA.121.122 read from T0147_twice.t2k.frag # found chain 1brmA in template set T0147_twice 121 :IASGNVHII 1brmA 123 :LNNGIRTFV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.08481 Ang CG2(37) at 44.6101 50.5326 31.3882 in (null):V-9999 (6) and ND1(45) at 47.1396 48.8081 31.0097 in (null):H-9999 (7) Number of specific fragments= 1 total=1497 # 1ueaB.121.121 read from T0147_twice.t2k.frag # adding 1ueaB to template set 1ueaB:# found chain 1ueaB in template set T0147_twice 121 :IASGNVHII 1ueaB 122 :VGCEECTVF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1498 # 1dhpA.121.122 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 121 :IASGNVHII 1dhpA 123 :AEHTDLPQI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01915 Ang CA(3) at 32.375 76.1 94.653 in (null):I-9999 (1) and CD1(55) at 33.1017 78.288 92.7037 in (null):I-9999 (8) other bump:2.44691 Ang CG1(5) at 32.541 78.6358 95.06 in (null):I-9999 (1) and CD1(55) at 33.1017 78.288 92.7037 in (null):I-9999 (8) Number of specific fragments= 1 total=1499 # 1b8pA.122.122 read from T0147_twice.t2k.frag # found chain 1b8pA in template set T0147_twice 122 :ASGNVHIIS 1b8pA 123 :ASRNIKVLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1500 # 1iu8A.122.122 read from T0147_twice.t2k.frag # found chain 1iu8A in template set T0147_twice 122 :ASGNVHIIS 1iu8A 123 :KNGIPAVLS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1501 # 1thm.122.124 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 122 :ASGNVHIIS 1thm 125 :QGAKVISLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05319 Ang NE2(39) at 16.2577 15.4557 20.567 in (null):H-9999 (6) and CG1(53) at 18.6267 17.1882 19.7252 in (null):I-9999 (8) Number of specific fragments= 1 total=1502 # 1thm.122.122 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 122 :ASGNVHIIS 1thm 123 :ADQGAKVIS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51005 Ang CG1(28) at 12.4434 10.7374 15.3621 in (null):V-9999 (5) and O(48) at 14.796 11.534 15 in (null):I-9999 (7) Number of specific fragments= 1 total=1503 # 1dhpA.122.123 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 122 :ASGNVHIIS 1dhpA 124 :EHTDLPQIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1504 # 1brmA.122.123 read from T0147_twice.t2k.frag # found chain 1brmA in template set T0147_twice 122 :ASGNVHIIS 1brmA 124 :NNGIRTFVG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.08481 Ang CG2(29) at 44.6101 50.5326 31.3882 in (null):V-9999 (5) and ND1(37) at 47.1396 48.8081 31.0097 in (null):H-9999 (6) Number of specific fragments= 1 total=1505 # 1thm.123.125 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 123 :SGNVHIISH 1thm 126 :GAKVISLSL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.89035 Ang CG2(49) at 19.4855 19.5018 20.1889 in (null):I-9999 (7) and NE2(66) at 18.6705 20.5374 21.5442 in (null):H-9999 (9) other bump:1.72719 Ang CG2(49) at 19.4855 19.5018 20.1889 in (null):I-9999 (7) and CD2(63) at 19.2342 21.1894 20.4568 in (null):H-9999 (9) other bump:3.0512 Ang CG2(49) at 19.4855 19.5018 20.1889 in (null):I-9999 (7) and CG(62) at 19.3711 22.4917 20.7861 in (null):H-9999 (9) other bump:3.05319 Ang NE2(34) at 16.2577 15.4557 20.567 in (null):H-9999 (5) and CG1(48) at 18.6267 17.1882 19.7252 in (null):I-9999 (7) Number of specific fragments= 1 total=1506 # 1b8pA.123.123 read from T0147_twice.t2k.frag # found chain 1b8pA in template set T0147_twice 123 :SGNVHIISH 1b8pA 124 :SRNIKVLVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1507 # 1thm.123.123 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 123 :SGNVHIISH 1thm 124 :DQGAKVISL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39934 Ang CG2(49) at 16.263 13.816 19.241 in (null):I-9999 (7) and NE2(66) at 17.1762 15.6831 20.4397 in (null):H-9999 (9) other bump:2.30156 Ang CG2(49) at 16.263 13.816 19.241 in (null):I-9999 (7) and CE1(65) at 18.1444 14.9771 19.8807 in (null):H-9999 (9) other bump:2.51005 Ang CG1(23) at 12.4434 10.7374 15.3621 in (null):V-9999 (4) and O(43) at 14.796 11.534 15 in (null):I-9999 (6) Number of specific fragments= 1 total=1508 # 1dhpA.123.124 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 123 :SGNVHIISH 1dhpA 125 :HTDLPQILY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1509 # 1iu8A.123.123 read from T0147_twice.t2k.frag # found chain 1iu8A in template set T0147_twice 123 :SGNVHIISH 1iu8A 124 :NGIPAVLSY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1510 # 3dni.123.124 read from T0147_twice.t2k.frag # adding 3dni to template set 3dni:# found chain 3dni in template set T0147_twice 123 :SGNVHIISH 3dni 125 :VKEFAIVAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1511 # 1thm.124.126 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 124 :GNVHIISHP 1thm 127 :AKVISLSLG Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.98828 Ang CA(54) at 21.223 23.476 19.364 in (null):H-9999 (8) and CD(67) at 23.1617 23.6526 19.7682 in (null):P-9999 (9) neighbor-bump: 1.89516 Ang O(61) at 22.777 21.839 20.161 in (null):H-9999 (8) and CD(67) at 23.1617 23.6526 19.7682 in (null):P-9999 (9) neighbor-bump: 1.15554 Ang C(62) at 22.344 23.011 20.273 in (null):H-9999 (8) and CD(67) at 23.1617 23.6526 19.7682 in (null):P-9999 (9) neighbor-bump: 1.85843 Ang O(61) at 22.777 21.839 20.161 in (null):H-9999 (8) and CG(66) at 24.3654 22.7586 19.8693 in (null):P-9999 (9) neighbor-bump: 2.07674 Ang C(62) at 22.344 23.011 20.273 in (null):H-9999 (8) and CG(66) at 24.3654 22.7586 19.8693 in (null):P-9999 (9) other bump:1.89035 Ang CG2(43) at 19.4855 19.5018 20.1889 in (null):I-9999 (6) and NE2(60) at 18.6705 20.5374 21.5442 in (null):H-9999 (8) other bump:1.7272 Ang CG2(43) at 19.4855 19.5018 20.1889 in (null):I-9999 (6) and CD2(57) at 19.2342 21.1894 20.4568 in (null):H-9999 (8) other bump:3.0512 Ang CG2(43) at 19.4855 19.5018 20.1889 in (null):I-9999 (6) and CG(56) at 19.3711 22.4917 20.7861 in (null):H-9999 (8) other bump:3.05319 Ang NE2(28) at 16.2577 15.4557 20.567 in (null):H-9999 (4) and CG1(42) at 18.6267 17.1882 19.7252 in (null):I-9999 (6) Number of specific fragments= 1 total=1512 # 1thm.124.124 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 124 :GNVHIISHP 1thm 125 :QGAKVISLS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39934 Ang CG2(43) at 16.263 13.816 19.241 in (null):I-9999 (6) and NE2(60) at 17.1762 15.6831 20.4397 in (null):H-9999 (8) other bump:2.30156 Ang CG2(43) at 16.263 13.816 19.241 in (null):I-9999 (6) and CE1(59) at 18.1444 14.9771 19.8807 in (null):H-9999 (8) other bump:2.51005 Ang CG1(17) at 12.4434 10.7374 15.3621 in (null):V-9999 (3) and O(37) at 14.796 11.534 15 in (null):I-9999 (5) Number of specific fragments= 1 total=1513 # 1iu8A.124.124 read from T0147_twice.t2k.frag # found chain 1iu8A in template set T0147_twice 124 :GNVHIISHP 1iu8A 125 :GIPAVLSYT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.78117 Ang C(62) at 40.729 55.147 15.674 in (null):H-9999 (8) and CD(67) at 39.6858 54.3435 16.8734 in (null):P-9999 (9) neighbor-bump: 2.58524 Ang C(62) at 40.729 55.147 15.674 in (null):H-9999 (8) and CG(66) at 39.1573 53.1466 16.1341 in (null):P-9999 (9) Number of specific fragments= 1 total=1514 # 1b8pA.124.124 read from T0147_twice.t2k.frag # found chain 1b8pA in template set T0147_twice 124 :GNVHIISHP 1b8pA 125 :RNIKVLVVG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.60865 Ang N(53) at 30.92 17.308 36.648 in (null):H-9999 (8) and CD(67) at 29.6582 17.2516 34.3655 in (null):P-9999 (9) Number of specific fragments= 1 total=1515 # 1dhpA.124.125 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 124 :GNVHIISHP 1dhpA 126 :TDLPQILYN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1516 # 3dni.124.125 read from T0147_twice.t2k.frag # found chain 3dni in template set T0147_twice 124 :GNVHIISHP 3dni 126 :KEFAIVALH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34621 Ang CA(64) at -45.338 22.926 14.607 in (null):P-9999 (9) and CB(65) at -44.244 22.5342 13.9274 in (null):P-9999 (9) Number of specific fragments= 1 total=1517 # 1thm.125.127 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 125 :NVHIISHPG 1thm 128 :KVISLSLGG Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.98827 Ang CA(50) at 21.223 23.476 19.364 in (null):H-9999 (7) and CD(63) at 23.1617 23.6526 19.7682 in (null):P-9999 (8) neighbor-bump: 1.89516 Ang O(57) at 22.777 21.839 20.161 in (null):H-9999 (7) and CD(63) at 23.1617 23.6526 19.7682 in (null):P-9999 (8) neighbor-bump: 1.15554 Ang C(58) at 22.344 23.011 20.273 in (null):H-9999 (7) and CD(63) at 23.1617 23.6526 19.7682 in (null):P-9999 (8) neighbor-bump: 1.85843 Ang O(57) at 22.777 21.839 20.161 in (null):H-9999 (7) and CG(62) at 24.3654 22.7586 19.8693 in (null):P-9999 (8) neighbor-bump: 2.07674 Ang C(58) at 22.344 23.011 20.273 in (null):H-9999 (7) and CG(62) at 24.3654 22.7586 19.8693 in (null):P-9999 (8) other bump:1.89035 Ang CG2(39) at 19.4855 19.5018 20.1889 in (null):I-9999 (5) and NE2(56) at 18.6705 20.5374 21.5442 in (null):H-9999 (7) other bump:1.7272 Ang CG2(39) at 19.4855 19.5018 20.1889 in (null):I-9999 (5) and CD2(53) at 19.2342 21.1894 20.4568 in (null):H-9999 (7) other bump:3.0512 Ang CG2(39) at 19.4855 19.5018 20.1889 in (null):I-9999 (5) and CG(52) at 19.3711 22.4917 20.7861 in (null):H-9999 (7) other bump:3.05319 Ang NE2(24) at 16.2577 15.4557 20.567 in (null):H-9999 (3) and CG1(38) at 18.6267 17.1882 19.7252 in (null):I-9999 (5) Number of specific fragments= 1 total=1518 # 1thm.125.125 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 125 :NVHIISHPG 1thm 126 :GAKVISLSL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89952 Ang C(48) at 17.977 17.21 16.29 in (null):S-9999 (6) and CD(63) at 18.6302 20.0326 16.1743 in (null):P-9999 (8) neighbor-bump: 2.60472 Ang N(49) at 19.125 17.569 16.86 in (null):H-9999 (7) and CD(63) at 18.6302 20.0326 16.1743 in (null):P-9999 (8) neighbor-bump: 2.21071 Ang CA(50) at 19.308 18.668 17.776 in (null):H-9999 (7) and CD(63) at 18.6302 20.0326 16.1743 in (null):P-9999 (8) neighbor-bump: 1.9639 Ang C(58) at 20.255 19.737 17.237 in (null):H-9999 (7) and CD(63) at 18.6302 20.0326 16.1743 in (null):P-9999 (8) self-bump: 1.29029 Ang N(59) at 19.688 20.685 16.521 in (null):P-9999 (8) and CD(63) at 18.6302 20.0326 16.1743 in (null):P-9999 (8) self-bump: 2.04195 Ang N(59) at 19.688 20.685 16.521 in (null):P-9999 (8) and CG(62) at 17.9408 21.2505 15.6281 in (null):P-9999 (8) self-bump: 2.14109 Ang N(59) at 19.688 20.685 16.521 in (null):P-9999 (8) and CB(61) at 19.0226 22.1216 15.0796 in (null):P-9999 (8) other bump:2.39934 Ang CG2(39) at 16.263 13.816 19.241 in (null):I-9999 (5) and NE2(56) at 17.1762 15.6831 20.4397 in (null):H-9999 (7) other bump:2.30156 Ang CG2(39) at 16.263 13.816 19.241 in (null):I-9999 (5) and CE1(55) at 18.1444 14.9771 19.8807 in (null):H-9999 (7) other bump:2.51005 Ang CG1(13) at 12.4434 10.7374 15.3621 in (null):V-9999 (2) and O(33) at 14.796 11.534 15 in (null):I-9999 (4) Number of specific fragments= 1 total=1519 # 1iu8A.125.125 read from T0147_twice.t2k.frag # found chain 1iu8A in template set T0147_twice 125 :NVHIISHPG 1iu8A 126 :IPAVLSYTA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.78116 Ang C(58) at 40.729 55.147 15.674 in (null):H-9999 (7) and CD(63) at 39.6858 54.3435 16.8734 in (null):P-9999 (8) neighbor-bump: 2.58524 Ang C(58) at 40.729 55.147 15.674 in (null):H-9999 (7) and CG(62) at 39.1573 53.1466 16.1341 in (null):P-9999 (8) Number of specific fragments= 1 total=1520 # 1dhpA.125.126 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 125 :NVHIISHPG 1dhpA 127 :DLPQILYNV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1521 # 3dni.125.126 read from T0147_twice.t2k.frag # found chain 3dni in template set T0147_twice 125 :NVHIISHPG 3dni 127 :EFAIVALHS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34622 Ang CA(60) at -45.338 22.926 14.607 in (null):P-9999 (8) and CB(61) at -44.244 22.5342 13.9274 in (null):P-9999 (8) other bump:2.63867 Ang CD2(21) at -57.0447 15.6523 9.51028 in (null):H-9999 (3) and CG2(39) at -55.5437 17.4809 10.679 in (null):I-9999 (5) other bump:3.07069 Ang CE1(23) at -55.7954 16.3846 7.82168 in (null):H-9999 (3) and CG2(39) at -55.5437 17.4809 10.679 in (null):I-9999 (5) other bump:2.01612 Ang NE2(24) at -56.3127 16.6949 8.9891 in (null):H-9999 (3) and CG2(39) at -55.5437 17.4809 10.679 in (null):I-9999 (5) Number of specific fragments= 1 total=1522 # 2dnjA.125.126 read from T0147_twice.t2k.frag # adding 2dnjA to template set 2dnjA:# found chain 2dnjA in template set T0147_twice 125 :NVHIISHPG 2dnjA 127 :EFAIVALHS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13011 Ang CD2(53) at 44.5614 32.5132 39.1175 in (null):H-9999 (7) and CA(67) at 45.617 35.336 39.963 in (null):G-9999 (9) self-bump: 1.35184 Ang CA(60) at 47.997 34.181 37.209 in (null):P-9999 (8) and CB(61) at 49.0283 34.5608 36.4218 in (null):P-9999 (8) other bump:2.96855 Ang CE1(23) at 42.9751 22.6911 31.0922 in (null):H-9999 (3) and CG2(39) at 42.7231 23.7339 33.8601 in (null):I-9999 (5) other bump:2.61843 Ang CD2(21) at 42.6706 21.3294 32.8247 in (null):H-9999 (3) and CG2(39) at 42.7231 23.7339 33.8601 in (null):I-9999 (5) other bump:1.8969 Ang NE2(24) at 42.5652 22.6127 32.3382 in (null):H-9999 (3) and CG2(39) at 42.7231 23.7339 33.8601 in (null):I-9999 (5) Number of specific fragments= 1 total=1523 # 1thm.126.128 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 126 :VHIISHPGN 1thm 129 :VISLSLGGT Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.98827 Ang CA(42) at 21.223 23.476 19.364 in (null):H-9999 (6) and CD(55) at 23.1617 23.6526 19.7682 in (null):P-9999 (7) neighbor-bump: 1.15554 Ang C(50) at 22.344 23.011 20.273 in (null):H-9999 (6) and CD(55) at 23.1617 23.6526 19.7682 in (null):P-9999 (7) neighbor-bump: 1.89516 Ang O(49) at 22.777 21.839 20.161 in (null):H-9999 (6) and CD(55) at 23.1617 23.6526 19.7682 in (null):P-9999 (7) neighbor-bump: 2.07674 Ang C(50) at 22.344 23.011 20.273 in (null):H-9999 (6) and CG(54) at 24.3654 22.7586 19.8693 in (null):P-9999 (7) neighbor-bump: 1.85843 Ang O(49) at 22.777 21.839 20.161 in (null):H-9999 (6) and CG(54) at 24.3654 22.7586 19.8693 in (null):P-9999 (7) other bump:1.89035 Ang CG2(31) at 19.4855 19.5018 20.1889 in (null):I-9999 (4) and NE2(48) at 18.6705 20.5374 21.5442 in (null):H-9999 (6) other bump:1.7272 Ang CG2(31) at 19.4855 19.5018 20.1889 in (null):I-9999 (4) and CD2(45) at 19.2342 21.1894 20.4568 in (null):H-9999 (6) other bump:3.0512 Ang CG2(31) at 19.4855 19.5018 20.1889 in (null):I-9999 (4) and CG(44) at 19.3711 22.4917 20.7861 in (null):H-9999 (6) other bump:3.05319 Ang NE2(16) at 16.2577 15.4557 20.567 in (null):H-9999 (2) and CG1(30) at 18.6267 17.1882 19.7252 in (null):I-9999 (4) Number of specific fragments= 1 total=1524 # 1iu8A.126.126 read from T0147_twice.t2k.frag # found chain 1iu8A in template set T0147_twice 126 :VHIISHPGN 1iu8A 127 :PAVLSYTAG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.78116 Ang C(50) at 40.729 55.147 15.674 in (null):H-9999 (6) and CD(55) at 39.6858 54.3435 16.8734 in (null):P-9999 (7) neighbor-bump: 2.58524 Ang C(50) at 40.729 55.147 15.674 in (null):H-9999 (6) and CG(54) at 39.1573 53.1466 16.1341 in (null):P-9999 (7) Number of specific fragments= 1 total=1525 # 1thm.126.126 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 126 :VHIISHPGN 1thm 127 :AKVISLSLG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89952 Ang C(40) at 17.977 17.21 16.29 in (null):S-9999 (5) and CD(55) at 18.6302 20.0326 16.1743 in (null):P-9999 (7) neighbor-bump: 2.60472 Ang N(41) at 19.125 17.569 16.86 in (null):H-9999 (6) and CD(55) at 18.6302 20.0326 16.1743 in (null):P-9999 (7) neighbor-bump: 2.21071 Ang CA(42) at 19.308 18.668 17.776 in (null):H-9999 (6) and CD(55) at 18.6302 20.0326 16.1743 in (null):P-9999 (7) neighbor-bump: 1.9639 Ang C(50) at 20.255 19.737 17.237 in (null):H-9999 (6) and CD(55) at 18.6302 20.0326 16.1743 in (null):P-9999 (7) self-bump: 1.29029 Ang N(51) at 19.688 20.685 16.521 in (null):P-9999 (7) and CD(55) at 18.6302 20.0326 16.1743 in (null):P-9999 (7) self-bump: 2.04195 Ang N(51) at 19.688 20.685 16.521 in (null):P-9999 (7) and CG(54) at 17.9408 21.2505 15.6281 in (null):P-9999 (7) self-bump: 2.14109 Ang N(51) at 19.688 20.685 16.521 in (null):P-9999 (7) and CB(53) at 19.0226 22.1216 15.0796 in (null):P-9999 (7) other bump:2.39934 Ang CG2(31) at 16.263 13.816 19.241 in (null):I-9999 (4) and NE2(48) at 17.1762 15.6831 20.4397 in (null):H-9999 (6) other bump:2.30156 Ang CG2(31) at 16.263 13.816 19.241 in (null):I-9999 (4) and CE1(47) at 18.1444 14.9771 19.8807 in (null):H-9999 (6) other bump:2.51005 Ang CG1(5) at 12.4434 10.7374 15.3621 in (null):V-9999 (1) and O(25) at 14.796 11.534 15 in (null):I-9999 (3) Number of specific fragments= 1 total=1526 # 1dhpA.126.127 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 126 :VHIISHPGN 1dhpA 128 :LPQILYNVP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1527 # 1enp.126.129 read from T0147_twice.t2k.frag # adding 1enp to template set 1enp:# found chain 1enp in template set T0147_twice 126 :VHIISHPGN 1enp 130 :IDILVHSLA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11649 Ang CA(42) at 11.203 12.376 41.454 in (null):H-9999 (6) and CD(55) at 10.8442 14.3605 40.8116 in (null):P-9999 (7) neighbor-bump: 1.8423 Ang C(50) at 10.071 13.179 41.995 in (null):H-9999 (6) and CD(55) at 10.8442 14.3605 40.8116 in (null):P-9999 (7) self-bump: 1.38256 Ang N(51) at 9.539 14.031 41.127 in (null):P-9999 (7) and CD(55) at 10.8442 14.3605 40.8116 in (null):P-9999 (7) self-bump: 2.17986 Ang N(51) at 9.539 14.031 41.127 in (null):P-9999 (7) and CG(54) at 10.6187 15.8037 40.4611 in (null):P-9999 (7) Number of specific fragments= 1 total=1528 # 3dni.126.127 read from T0147_twice.t2k.frag # found chain 3dni in template set T0147_twice 126 :VHIISHPGN 3dni 128 :FAIVALHSA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34622 Ang CA(52) at -45.338 22.926 14.607 in (null):P-9999 (7) and CB(53) at -44.244 22.5342 13.9274 in (null):P-9999 (7) Number of specific fragments= 1 total=1529 # 1iu8A.127.127 read from T0147_twice.t2k.frag # found chain 1iu8A in template set T0147_twice 127 :HIISHPGNP 1iu8A 128 :AVLSYTAGT Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.93675 Ang C(62) at 33.764 54.494 11.228 in (null):N-9999 (8) and CD(67) at 32.4761 53.1021 11.6214 in (null):P-9999 (9) self-bump: 1.36692 Ang N(63) at 32.715 53.975 10.597 in (null):P-9999 (9) and CD(67) at 32.4761 53.1021 11.6214 in (null):P-9999 (9) neighbor-bump: 2.33252 Ang CA(56) at 33.574 54.859 12.693 in (null):N-9999 (8) and CD(67) at 32.4761 53.1021 11.6214 in (null):P-9999 (9) self-bump: 2.19869 Ang N(63) at 32.715 53.975 10.597 in (null):P-9999 (9) and CG(66) at 31.9308 51.9362 10.8468 in (null):P-9999 (9) neighbor-bump: 1.78065 Ang O(53) at 33.908 57.585 12.436 in (null):G-9999 (7) and ND2(59) at 32.2561 58.2436 12.5258 in (null):N-9999 (8) neighbor-bump: 1.63671 Ang O(53) at 33.908 57.585 12.436 in (null):G-9999 (7) and CG(58) at 32.4463 57.0857 11.8948 in (null):N-9999 (8) neighbor-bump: 2.59161 Ang C(54) at 34.798 56.926 12.972 in (null):G-9999 (7) and CG(58) at 32.4463 57.0857 11.8948 in (null):N-9999 (8) neighbor-bump: 1.78116 Ang C(43) at 40.729 55.147 15.674 in (null):H-9999 (5) and CD(48) at 39.6858 54.3435 16.8734 in (null):P-9999 (6) neighbor-bump: 2.58524 Ang C(43) at 40.729 55.147 15.674 in (null):H-9999 (5) and CG(47) at 39.1573 53.1466 16.1341 in (null):P-9999 (6) Number of specific fragments= 1 total=1530 # 1thm.127.129 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 127 :HIISHPGNP 1thm 130 :ISLSLGGTV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.81685 Ang CB(57) at 29.2161 27.0735 26.9211 in (null):N-9999 (8) and CD(67) at 27.66 25.9075 28.9592 in (null):P-9999 (9) neighbor-bump: 1.92334 Ang C(62) at 28.859 24.811 27.93 in (null):N-9999 (8) and CD(67) at 27.66 25.9075 28.9592 in (null):P-9999 (9) neighbor-bump: 2.81888 Ang C(62) at 28.859 24.811 27.93 in (null):N-9999 (8) and CG(66) at 28.0966 25.9422 30.3968 in (null):P-9999 (9) neighbor-bump: 1.98827 Ang CA(35) at 21.223 23.476 19.364 in (null):H-9999 (5) and CD(48) at 23.1617 23.6526 19.7682 in (null):P-9999 (6) neighbor-bump: 1.15554 Ang C(43) at 22.344 23.011 20.273 in (null):H-9999 (5) and CD(48) at 23.1617 23.6526 19.7682 in (null):P-9999 (6) neighbor-bump: 1.89516 Ang O(42) at 22.777 21.839 20.161 in (null):H-9999 (5) and CD(48) at 23.1617 23.6526 19.7682 in (null):P-9999 (6) neighbor-bump: 2.07674 Ang C(43) at 22.344 23.011 20.273 in (null):H-9999 (5) and CG(47) at 24.3654 22.7586 19.8693 in (null):P-9999 (6) neighbor-bump: 1.85843 Ang O(42) at 22.777 21.839 20.161 in (null):H-9999 (5) and CG(47) at 24.3654 22.7586 19.8693 in (null):P-9999 (6) other bump:1.89035 Ang CG2(24) at 19.4855 19.5018 20.1889 in (null):I-9999 (3) and NE2(41) at 18.6705 20.5374 21.5442 in (null):H-9999 (5) other bump:1.7272 Ang CG2(24) at 19.4855 19.5018 20.1889 in (null):I-9999 (3) and CD2(38) at 19.2342 21.1894 20.4568 in (null):H-9999 (5) other bump:3.0512 Ang CG2(24) at 19.4855 19.5018 20.1889 in (null):I-9999 (3) and CG(37) at 19.3711 22.4917 20.7861 in (null):H-9999 (5) other bump:3.05319 Ang NE2(9) at 16.2577 15.4557 20.567 in (null):H-9999 (1) and CG1(23) at 18.6267 17.1881 19.7252 in (null):I-9999 (3) Number of specific fragments= 1 total=1531 # 1thm.127.127 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 127 :HIISHPGNP 1thm 128 :KVISLSLGG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.10399 Ang C(62) at 24.202 24.566 23.029 in (null):N-9999 (8) and CD(67) at 23.6639 23.3441 24.6551 in (null):P-9999 (9) other bump:2.89952 Ang C(33) at 17.977 17.21 16.29 in (null):S-9999 (4) and CD(48) at 18.6302 20.0326 16.1743 in (null):P-9999 (6) neighbor-bump: 2.60472 Ang N(34) at 19.125 17.569 16.86 in (null):H-9999 (5) and CD(48) at 18.6302 20.0326 16.1743 in (null):P-9999 (6) neighbor-bump: 2.21071 Ang CA(35) at 19.308 18.668 17.776 in (null):H-9999 (5) and CD(48) at 18.6302 20.0326 16.1743 in (null):P-9999 (6) neighbor-bump: 1.9639 Ang C(43) at 20.255 19.737 17.237 in (null):H-9999 (5) and CD(48) at 18.6302 20.0326 16.1743 in (null):P-9999 (6) self-bump: 1.29029 Ang N(44) at 19.688 20.685 16.521 in (null):P-9999 (6) and CD(48) at 18.6302 20.0326 16.1743 in (null):P-9999 (6) self-bump: 2.04195 Ang N(44) at 19.688 20.685 16.521 in (null):P-9999 (6) and CG(47) at 17.9408 21.2505 15.6281 in (null):P-9999 (6) self-bump: 2.14109 Ang N(44) at 19.688 20.685 16.521 in (null):P-9999 (6) and CB(46) at 19.0226 22.1216 15.0796 in (null):P-9999 (6) other bump:2.39934 Ang CG2(24) at 16.263 13.816 19.241 in (null):I-9999 (3) and NE2(41) at 17.1762 15.6831 20.4397 in (null):H-9999 (5) other bump:2.30156 Ang CG2(24) at 16.263 13.816 19.241 in (null):I-9999 (3) and CE1(40) at 18.1444 14.9771 19.8807 in (null):H-9999 (5) Number of specific fragments= 1 total=1532 # 3dni.127.128 read from T0147_twice.t2k.frag # found chain 3dni in template set T0147_twice 127 :HIISHPGNP 3dni 129 :AIVALHSAP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34622 Ang CA(45) at -45.338 22.926 14.607 in (null):P-9999 (6) and CB(46) at -44.244 22.5342 13.9274 in (null):P-9999 (6) Number of specific fragments= 1 total=1533 # 2dnjA.127.128 read from T0147_twice.t2k.frag # found chain 2dnjA in template set T0147_twice 127 :HIISHPGNP 2dnjA 129 :AIVALHSAP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13011 Ang CD2(38) at 44.5614 32.5132 39.1175 in (null):H-9999 (5) and CA(52) at 45.617 35.336 39.963 in (null):G-9999 (7) self-bump: 1.35184 Ang CA(45) at 47.997 34.181 37.209 in (null):P-9999 (6) and CB(46) at 49.0283 34.5608 36.4218 in (null):P-9999 (6) Number of specific fragments= 1 total=1534 # 1dhpA.127.128 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 127 :HIISHPGNP 1dhpA 129 :PQILYNVPS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34019 Ang N(63) at 21.868 95.89 88.327 in (null):P-9999 (9) and CD(67) at 23.0903 96.4126 88.4971 in (null):P-9999 (9) other bump:2.87072 Ang C(54) at 24.04 93.711 88.699 in (null):G-9999 (7) and CD(67) at 23.0903 96.4126 88.4971 in (null):P-9999 (9) neighbor-bump: 2.54387 Ang N(55) at 23.806 94.372 89.837 in (null):N-9999 (8) and CD(67) at 23.0903 96.4126 88.4971 in (null):P-9999 (9) self-bump: 2.2094 Ang N(63) at 21.868 95.89 88.327 in (null):P-9999 (9) and CG(66) at 22.9699 97.7014 87.7055 in (null):P-9999 (9) Number of specific fragments= 1 total=1535 # 1thm.128.130 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 128 :IISHPGNPK 1thm 131 :SLSLGGTVG Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.08963 Ang C(52) at 28.859 24.811 27.93 in (null):N-9999 (7) and CD(57) at 27.4348 25.8789 29.0245 in (null):P-9999 (8) neighbor-bump: 1.98827 Ang CA(25) at 21.223 23.476 19.364 in (null):H-9999 (4) and CD(38) at 23.1617 23.6526 19.7682 in (null):P-9999 (5) neighbor-bump: 1.89516 Ang O(32) at 22.777 21.839 20.161 in (null):H-9999 (4) and CD(38) at 23.1617 23.6526 19.7682 in (null):P-9999 (5) neighbor-bump: 1.15554 Ang C(33) at 22.344 23.011 20.273 in (null):H-9999 (4) and CD(38) at 23.1617 23.6526 19.7682 in (null):P-9999 (5) neighbor-bump: 1.85843 Ang O(32) at 22.777 21.839 20.161 in (null):H-9999 (4) and CG(37) at 24.3654 22.7586 19.8693 in (null):P-9999 (5) neighbor-bump: 2.07674 Ang C(33) at 22.344 23.011 20.273 in (null):H-9999 (4) and CG(37) at 24.3654 22.7586 19.8693 in (null):P-9999 (5) other bump:1.89035 Ang CG2(14) at 19.4855 19.5018 20.1889 in (null):I-9999 (2) and NE2(31) at 18.6705 20.5374 21.5442 in (null):H-9999 (4) other bump:1.72719 Ang CG2(14) at 19.4855 19.5018 20.1889 in (null):I-9999 (2) and CD2(28) at 19.2342 21.1894 20.4568 in (null):H-9999 (4) other bump:3.0512 Ang CG2(14) at 19.4855 19.5018 20.1889 in (null):I-9999 (2) and CG(27) at 19.3711 22.4917 20.7861 in (null):H-9999 (4) Number of specific fragments= 1 total=1536 # 1iu8A.128.128 read from T0147_twice.t2k.frag # found chain 1iu8A in template set T0147_twice 128 :IISHPGNPK 1iu8A 129 :VLSYTAGTY Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.24992 Ang O(51) at 34.847 54.673 10.674 in (null):N-9999 (7) and CD(57) at 33.2832 53.3513 11.6066 in (null):P-9999 (8) self-bump: 1.31571 Ang N(53) at 32.715 53.975 10.597 in (null):P-9999 (8) and CD(57) at 33.2832 53.3513 11.6066 in (null):P-9999 (8) neighbor-bump: 1.88098 Ang CA(46) at 33.574 54.859 12.693 in (null):N-9999 (7) and CD(57) at 33.2832 53.3513 11.6066 in (null):P-9999 (8) neighbor-bump: 1.29626 Ang C(52) at 33.764 54.494 11.228 in (null):N-9999 (7) and CD(57) at 33.2832 53.3513 11.6066 in (null):P-9999 (8) self-bump: 2.16509 Ang N(53) at 32.715 53.975 10.597 in (null):P-9999 (8) and CG(56) at 33.7905 52.1178 10.883 in (null):P-9999 (8) neighbor-bump: 2.40121 Ang C(52) at 33.764 54.494 11.228 in (null):N-9999 (7) and CG(56) at 33.7905 52.1178 10.883 in (null):P-9999 (8) neighbor-bump: 1.78065 Ang O(43) at 33.908 57.585 12.436 in (null):G-9999 (6) and ND2(49) at 32.2561 58.2436 12.5258 in (null):N-9999 (7) neighbor-bump: 1.63671 Ang O(43) at 33.908 57.585 12.436 in (null):G-9999 (6) and CG(48) at 32.4463 57.0857 11.8948 in (null):N-9999 (7) neighbor-bump: 2.59161 Ang C(44) at 34.798 56.926 12.972 in (null):G-9999 (6) and CG(48) at 32.4463 57.0857 11.8948 in (null):N-9999 (7) neighbor-bump: 1.78116 Ang C(33) at 40.729 55.147 15.674 in (null):H-9999 (4) and CD(38) at 39.6858 54.3435 16.8734 in (null):P-9999 (5) neighbor-bump: 2.58524 Ang C(33) at 40.729 55.147 15.674 in (null):H-9999 (4) and CG(37) at 39.1573 53.1466 16.1341 in (null):P-9999 (5) Number of specific fragments= 1 total=1537 # 1thm.128.128 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 128 :IISHPGNPK 1thm 129 :VISLSLGGT Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.104 Ang C(52) at 24.202 24.566 23.029 in (null):N-9999 (7) and CD(57) at 23.6639 23.3441 24.6551 in (null):P-9999 (8) other bump:2.89952 Ang C(23) at 17.977 17.21 16.29 in (null):S-9999 (3) and CD(38) at 18.6302 20.0326 16.1743 in (null):P-9999 (5) neighbor-bump: 2.60472 Ang N(24) at 19.125 17.569 16.86 in (null):H-9999 (4) and CD(38) at 18.6302 20.0326 16.1743 in (null):P-9999 (5) neighbor-bump: 2.21071 Ang CA(25) at 19.308 18.668 17.776 in (null):H-9999 (4) and CD(38) at 18.6302 20.0326 16.1743 in (null):P-9999 (5) neighbor-bump: 1.9639 Ang C(33) at 20.255 19.737 17.237 in (null):H-9999 (4) and CD(38) at 18.6302 20.0326 16.1743 in (null):P-9999 (5) self-bump: 1.29029 Ang N(34) at 19.688 20.685 16.521 in (null):P-9999 (5) and CD(38) at 18.6302 20.0326 16.1743 in (null):P-9999 (5) self-bump: 2.04195 Ang N(34) at 19.688 20.685 16.521 in (null):P-9999 (5) and CG(37) at 17.9408 21.2505 15.6281 in (null):P-9999 (5) self-bump: 2.14109 Ang N(34) at 19.688 20.685 16.521 in (null):P-9999 (5) and CB(36) at 19.0226 22.1216 15.0796 in (null):P-9999 (5) other bump:2.39934 Ang CG2(14) at 16.263 13.816 19.241 in (null):I-9999 (2) and NE2(31) at 17.1762 15.6831 20.4397 in (null):H-9999 (4) other bump:2.30156 Ang CG2(14) at 16.263 13.816 19.241 in (null):I-9999 (2) and CE1(30) at 18.1444 14.9771 19.8807 in (null):H-9999 (4) Number of specific fragments= 1 total=1538 # 3dni.128.129 read from T0147_twice.t2k.frag # found chain 3dni in template set T0147_twice 128 :IISHPGNPK 3dni 130 :IVALHSAPS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34622 Ang CA(35) at -45.338 22.926 14.607 in (null):P-9999 (5) and CB(36) at -44.244 22.5342 13.9274 in (null):P-9999 (5) Number of specific fragments= 1 total=1539 # 2dnjA.128.129 read from T0147_twice.t2k.frag # found chain 2dnjA in template set T0147_twice 128 :IISHPGNPK 2dnjA 130 :IVALHSAPS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13011 Ang CD2(28) at 44.5614 32.5132 39.1175 in (null):H-9999 (4) and CA(42) at 45.617 35.336 39.963 in (null):G-9999 (6) self-bump: 1.35184 Ang CA(35) at 47.997 34.181 37.209 in (null):P-9999 (5) and CB(36) at 49.0283 34.5608 36.4218 in (null):P-9999 (5) Number of specific fragments= 1 total=1540 # 1dhpA.128.129 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 128 :IISHPGNPK 1dhpA 130 :QILYNVPSR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34019 Ang N(53) at 21.868 95.89 88.327 in (null):P-9999 (8) and CD(57) at 23.0903 96.4126 88.4971 in (null):P-9999 (8) other bump:2.87072 Ang C(44) at 24.04 93.711 88.699 in (null):G-9999 (6) and CD(57) at 23.0903 96.4126 88.4971 in (null):P-9999 (8) neighbor-bump: 2.54386 Ang N(45) at 23.806 94.372 89.837 in (null):N-9999 (7) and CD(57) at 23.0903 96.4126 88.4971 in (null):P-9999 (8) self-bump: 2.20939 Ang N(53) at 21.868 95.89 88.327 in (null):P-9999 (8) and CG(56) at 22.9698 97.7014 87.7055 in (null):P-9999 (8) Number of specific fragments= 1 total=1541 # 1thm.129.131 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 129 :ISHPGNPKY 1thm 132 :LSLGGTVGN Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.08963 Ang C(44) at 28.859 24.811 27.93 in (null):N-9999 (6) and CD(49) at 27.4348 25.8789 29.0245 in (null):P-9999 (7) neighbor-bump: 1.98827 Ang CA(17) at 21.223 23.476 19.364 in (null):H-9999 (3) and CD(30) at 23.1617 23.6526 19.7682 in (null):P-9999 (4) neighbor-bump: 1.89516 Ang O(24) at 22.777 21.839 20.161 in (null):H-9999 (3) and CD(30) at 23.1617 23.6526 19.7682 in (null):P-9999 (4) neighbor-bump: 1.15554 Ang C(25) at 22.344 23.011 20.273 in (null):H-9999 (3) and CD(30) at 23.1617 23.6526 19.7682 in (null):P-9999 (4) neighbor-bump: 1.85843 Ang O(24) at 22.777 21.839 20.161 in (null):H-9999 (3) and CG(29) at 24.3654 22.7586 19.8693 in (null):P-9999 (4) neighbor-bump: 2.07674 Ang C(25) at 22.344 23.011 20.273 in (null):H-9999 (3) and CG(29) at 24.3654 22.7586 19.8693 in (null):P-9999 (4) other bump:1.89035 Ang CG2(6) at 19.4855 19.5018 20.1889 in (null):I-9999 (1) and NE2(23) at 18.6705 20.5374 21.5442 in (null):H-9999 (3) other bump:1.72719 Ang CG2(6) at 19.4855 19.5018 20.1889 in (null):I-9999 (1) and CD2(20) at 19.2342 21.1894 20.4568 in (null):H-9999 (3) other bump:3.0512 Ang CG2(6) at 19.4855 19.5018 20.1889 in (null):I-9999 (1) and CG(19) at 19.3711 22.4917 20.7861 in (null):H-9999 (3) Number of specific fragments= 1 total=1542 # 3dni.129.130 read from T0147_twice.t2k.frag # found chain 3dni in template set T0147_twice 129 :ISHPGNPKY 3dni 131 :VALHSAPSD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34622 Ang CA(27) at -45.338 22.926 14.607 in (null):P-9999 (4) and CB(28) at -44.244 22.5342 13.9274 in (null):P-9999 (4) Number of specific fragments= 1 total=1543 # 1iu8A.129.129 read from T0147_twice.t2k.frag # found chain 1iu8A in template set T0147_twice 129 :ISHPGNPKY 1iu8A 130 :LSYTAGTYL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37205 Ang CA(53) at 29.788 55.838 8.442 in (null):K-9999 (8) and CB(54) at 28.5015 55.7957 8.91702 in (null):K-9999 (8) self-bump: 1.31571 Ang N(45) at 32.715 53.975 10.597 in (null):P-9999 (7) and CD(49) at 33.2832 53.3513 11.6066 in (null):P-9999 (7) neighbor-bump: 2.24992 Ang O(43) at 34.847 54.673 10.674 in (null):N-9999 (6) and CD(49) at 33.2832 53.3513 11.6066 in (null):P-9999 (7) neighbor-bump: 1.88098 Ang CA(38) at 33.574 54.859 12.693 in (null):N-9999 (6) and CD(49) at 33.2832 53.3513 11.6066 in (null):P-9999 (7) neighbor-bump: 1.29626 Ang C(44) at 33.764 54.494 11.228 in (null):N-9999 (6) and CD(49) at 33.2832 53.3513 11.6066 in (null):P-9999 (7) self-bump: 2.16509 Ang N(45) at 32.715 53.975 10.597 in (null):P-9999 (7) and CG(48) at 33.7905 52.1178 10.883 in (null):P-9999 (7) neighbor-bump: 2.40121 Ang C(44) at 33.764 54.494 11.228 in (null):N-9999 (6) and CG(48) at 33.7905 52.1178 10.883 in (null):P-9999 (7) neighbor-bump: 1.78065 Ang O(35) at 33.908 57.585 12.436 in (null):G-9999 (5) and ND2(41) at 32.2561 58.2436 12.5258 in (null):N-9999 (6) neighbor-bump: 1.63671 Ang O(35) at 33.908 57.585 12.436 in (null):G-9999 (5) and CG(40) at 32.4463 57.0857 11.8948 in (null):N-9999 (6) neighbor-bump: 2.59161 Ang C(36) at 34.798 56.926 12.972 in (null):G-9999 (5) and CG(40) at 32.4463 57.0857 11.8948 in (null):N-9999 (6) neighbor-bump: 1.78116 Ang C(25) at 40.729 55.147 15.674 in (null):H-9999 (3) and CD(30) at 39.6858 54.3435 16.8734 in (null):P-9999 (4) neighbor-bump: 2.58524 Ang C(25) at 40.729 55.147 15.674 in (null):H-9999 (3) and CG(29) at 39.1573 53.1466 16.1341 in (null):P-9999 (4) Number of specific fragments= 1 total=1544 # 2dnjA.129.130 read from T0147_twice.t2k.frag # found chain 2dnjA in template set T0147_twice 129 :ISHPGNPKY 2dnjA 131 :VALHSAPSD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13011 Ang CD2(20) at 44.5614 32.5132 39.1175 in (null):H-9999 (3) and CA(34) at 45.617 35.336 39.963 in (null):G-9999 (5) self-bump: 1.35184 Ang CA(27) at 47.997 34.181 37.209 in (null):P-9999 (4) and CB(28) at 49.0283 34.5608 36.4218 in (null):P-9999 (4) Number of specific fragments= 1 total=1545 # 1thm.129.129 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 129 :ISHPGNPKY 1thm 130 :ISLSLGGTV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.104 Ang C(44) at 24.202 24.566 23.029 in (null):N-9999 (6) and CD(49) at 23.6639 23.3441 24.6551 in (null):P-9999 (7) other bump:2.89952 Ang C(15) at 17.977 17.21 16.29 in (null):S-9999 (2) and CD(30) at 18.6302 20.0326 16.1743 in (null):P-9999 (4) neighbor-bump: 2.60472 Ang N(16) at 19.125 17.569 16.86 in (null):H-9999 (3) and CD(30) at 18.6302 20.0326 16.1743 in (null):P-9999 (4) neighbor-bump: 2.21071 Ang CA(17) at 19.308 18.668 17.776 in (null):H-9999 (3) and CD(30) at 18.6302 20.0326 16.1743 in (null):P-9999 (4) neighbor-bump: 1.9639 Ang C(25) at 20.255 19.737 17.237 in (null):H-9999 (3) and CD(30) at 18.6302 20.0326 16.1743 in (null):P-9999 (4) self-bump: 1.29029 Ang N(26) at 19.688 20.685 16.521 in (null):P-9999 (4) and CD(30) at 18.6302 20.0326 16.1743 in (null):P-9999 (4) self-bump: 2.04195 Ang N(26) at 19.688 20.685 16.521 in (null):P-9999 (4) and CG(29) at 17.9408 21.2505 15.6281 in (null):P-9999 (4) self-bump: 2.14109 Ang N(26) at 19.688 20.685 16.521 in (null):P-9999 (4) and CB(28) at 19.0226 22.1216 15.0796 in (null):P-9999 (4) other bump:2.39934 Ang CG2(6) at 16.263 13.816 19.241 in (null):I-9999 (1) and NE2(23) at 17.1762 15.6831 20.4397 in (null):H-9999 (3) other bump:2.30156 Ang CG2(6) at 16.263 13.816 19.241 in (null):I-9999 (1) and CE1(22) at 18.1444 14.9771 19.8807 in (null):H-9999 (3) Number of specific fragments= 1 total=1546 # 2bjxA.129.22 read from T0147_twice.t2k.frag # found chain 2bjxA in template set T0147_twice 129 :ISHPGNPKY 2bjxA 141 :IGFFKDVES Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83847 Ang CB(39) at 15.2733 -8.61183 1.69357 in (null):N-9999 (6) and OH(70) at 17.3193 -9.45899 3.46925 in (null):Y-9999 (9) other bump:1.53463 Ang CG(40) at 16.2982 -8.52594 2.80452 in (null):N-9999 (6) and OH(70) at 17.3193 -9.45899 3.46925 in (null):Y-9999 (9) other bump:1.7287 Ang ND2(41) at 15.8512 -8.74006 4.03168 in (null):N-9999 (6) and OH(70) at 17.3193 -9.45899 3.46925 in (null):Y-9999 (9) other bump:1.55836 Ang OD1(42) at 17.473 -8.1973 2.56758 in (null):N-9999 (6) and OH(70) at 17.3193 -9.45899 3.46925 in (null):Y-9999 (9) other bump:1.90663 Ang CB(39) at 15.2733 -8.61183 1.69357 in (null):N-9999 (6) and CZ(69) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (9) other bump:1.38162 Ang CG(40) at 16.2982 -8.52594 2.80452 in (null):N-9999 (6) and CZ(69) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (9) other bump:1.88309 Ang ND2(41) at 15.8512 -8.74006 4.03168 in (null):N-9999 (6) and CZ(69) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (9) other bump:2.04656 Ang OD1(42) at 17.473 -8.1973 2.56758 in (null):N-9999 (6) and CZ(69) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (9) other bump:2.06068 Ang CA(38) at 15.141 -7.227 0.983 in (null):N-9999 (6) and CE2(68) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (9) other bump:3.01768 Ang C(44) at 14.209 -7.412 -0.218 in (null):N-9999 (6) and CE2(68) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (9) other bump:2.75897 Ang N(37) at 14.466 -6.406 2.028 in (null):N-9999 (6) and CE2(68) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (9) other bump:0.534498 Ang CB(39) at 15.2733 -8.61183 1.69357 in (null):N-9999 (6) and CE2(68) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (9) other bump:1.20562 Ang CG(40) at 16.2982 -8.52594 2.80452 in (null):N-9999 (6) and CE2(68) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (9) other bump:2.04859 Ang ND2(41) at 15.8512 -8.74006 4.03168 in (null):N-9999 (6) and CE2(68) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (9) other bump:2.19617 Ang OD1(42) at 17.473 -8.1973 2.56758 in (null):N-9999 (6) and CE2(68) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (9) other bump:2.87054 Ang CB(39) at 15.2733 -8.61183 1.69357 in (null):N-9999 (6) and CE1(67) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (9) other bump:2.75622 Ang CG(40) at 16.2982 -8.52594 2.80452 in (null):N-9999 (6) and CE1(67) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (9) other bump:3.00884 Ang ND2(41) at 15.8512 -8.74006 4.03168 in (null):N-9999 (6) and CE1(67) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (9) other bump:2.30176 Ang CA(38) at 15.141 -7.227 0.983 in (null):N-9999 (6) and CD2(66) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (9) other bump:2.05068 Ang O(43) at 13.658 -8.474 -0.43 in (null):N-9999 (6) and CD2(66) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (9) other bump:2.47008 Ang C(44) at 14.209 -7.412 -0.218 in (null):N-9999 (6) and CD2(66) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (9) other bump:1.24223 Ang CB(39) at 15.2733 -8.61183 1.69357 in (null):N-9999 (6) and CD2(66) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (9) other bump:2.59288 Ang CG(40) at 16.2982 -8.52594 2.80452 in (null):N-9999 (6) and CD2(66) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (9) other bump:2.49115 Ang CB(39) at 15.2733 -8.61183 1.69357 in (null):N-9999 (6) and CG(64) at 14.2647 -10.7723 0.971673 in (null):Y-9999 (9) neighbor-bump: 3.06937 Ang C(1) at 1.975 2.318 -1.92 in (null):G-9999 (0) and CG1(5) at 4.055 4.498 -1.335 in (null):I-9999 (1) Number of specific fragments= 1 total=1547 # 1thm.130.132 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 130 :SHPGNPKYE 1thm 133 :SLGGTVGNS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44828 Ang O(51) at 25.167 21.394 32.153 in (null):K-9999 (7) and CD1(57) at 23.0462 22.3938 31.4483 in (null):Y-9999 (8) neighbor-bump: 2.08963 Ang C(36) at 28.859 24.811 27.93 in (null):N-9999 (5) and CD(41) at 27.4348 25.8789 29.0245 in (null):P-9999 (6) neighbor-bump: 1.98827 Ang CA(9) at 21.223 23.476 19.364 in (null):H-9999 (2) and CD(22) at 23.1617 23.6526 19.7682 in (null):P-9999 (3) neighbor-bump: 1.15554 Ang C(17) at 22.344 23.011 20.273 in (null):H-9999 (2) and CD(22) at 23.1617 23.6526 19.7682 in (null):P-9999 (3) neighbor-bump: 1.89516 Ang O(16) at 22.777 21.839 20.161 in (null):H-9999 (2) and CD(22) at 23.1617 23.6526 19.7682 in (null):P-9999 (3) neighbor-bump: 2.07674 Ang C(17) at 22.344 23.011 20.273 in (null):H-9999 (2) and CG(21) at 24.3654 22.7586 19.8693 in (null):P-9999 (3) neighbor-bump: 1.85843 Ang O(16) at 22.777 21.839 20.161 in (null):H-9999 (2) and CG(21) at 24.3654 22.7586 19.8693 in (null):P-9999 (3) Number of specific fragments= 1 total=1548 # 3dni.130.131 read from T0147_twice.t2k.frag # found chain 3dni in template set T0147_twice 130 :SHPGNPKYE 3dni 132 :ALHSAPSDA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34622 Ang CA(19) at -45.338 22.926 14.607 in (null):P-9999 (3) and CB(20) at -44.244 22.5342 13.9274 in (null):P-9999 (3) Number of specific fragments= 1 total=1549 # 2dnjA.130.131 read from T0147_twice.t2k.frag # found chain 2dnjA in template set T0147_twice 130 :SHPGNPKYE 2dnjA 132 :ALHSAPSDA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01911 Ang CE1(14) at 43.5244 33.5284 38.7512 in (null):H-9999 (2) and CA(26) at 45.617 35.336 39.963 in (null):G-9999 (4) other bump:2.87133 Ang NE2(15) at 43.9122 33.0264 39.902 in (null):H-9999 (2) and CA(26) at 45.617 35.336 39.963 in (null):G-9999 (4) self-bump: 1.35184 Ang CA(19) at 47.997 34.181 37.209 in (null):P-9999 (3) and CB(20) at 49.0283 34.5608 36.4218 in (null):P-9999 (3) Number of specific fragments= 1 total=1550 # 1thm.130.130 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 130 :SHPGNPKYE 1thm 131 :SLSLGGTVG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.104 Ang C(36) at 24.202 24.566 23.029 in (null):N-9999 (5) and CD(41) at 23.6639 23.3441 24.6551 in (null):P-9999 (6) other bump:2.89952 Ang C(7) at 17.977 17.21 16.29 in (null):S-9999 (1) and CD(22) at 18.6302 20.0326 16.1743 in (null):P-9999 (3) neighbor-bump: 2.60472 Ang N(8) at 19.125 17.569 16.86 in (null):H-9999 (2) and CD(22) at 18.6302 20.0326 16.1743 in (null):P-9999 (3) self-bump: 1.29029 Ang N(18) at 19.688 20.685 16.521 in (null):P-9999 (3) and CD(22) at 18.6302 20.0326 16.1743 in (null):P-9999 (3) neighbor-bump: 2.21071 Ang CA(9) at 19.308 18.668 17.776 in (null):H-9999 (2) and CD(22) at 18.6302 20.0326 16.1743 in (null):P-9999 (3) neighbor-bump: 1.9639 Ang C(17) at 20.255 19.737 17.237 in (null):H-9999 (2) and CD(22) at 18.6302 20.0326 16.1743 in (null):P-9999 (3) self-bump: 2.04195 Ang N(18) at 19.688 20.685 16.521 in (null):P-9999 (3) and CG(21) at 17.9408 21.2505 15.6281 in (null):P-9999 (3) self-bump: 2.14109 Ang N(18) at 19.688 20.685 16.521 in (null):P-9999 (3) and CB(20) at 19.0226 22.1216 15.0796 in (null):P-9999 (3) Number of specific fragments= 1 total=1551 # 1iu8A.130.130 read from T0147_twice.t2k.frag # found chain 1iu8A in template set T0147_twice 130 :SHPGNPKYE 1iu8A 131 :SYTAGTYLC Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37205 Ang CA(45) at 29.788 55.838 8.442 in (null):K-9999 (7) and CB(46) at 28.5015 55.7957 8.91702 in (null):K-9999 (7) self-bump: 1.31571 Ang N(37) at 32.715 53.975 10.597 in (null):P-9999 (6) and CD(41) at 33.2832 53.3513 11.6066 in (null):P-9999 (6) neighbor-bump: 1.88098 Ang CA(30) at 33.574 54.859 12.693 in (null):N-9999 (5) and CD(41) at 33.2832 53.3513 11.6066 in (null):P-9999 (6) neighbor-bump: 2.24992 Ang O(35) at 34.847 54.673 10.674 in (null):N-9999 (5) and CD(41) at 33.2832 53.3513 11.6066 in (null):P-9999 (6) neighbor-bump: 1.29626 Ang C(36) at 33.764 54.494 11.228 in (null):N-9999 (5) and CD(41) at 33.2832 53.3513 11.6066 in (null):P-9999 (6) self-bump: 2.16509 Ang N(37) at 32.715 53.975 10.597 in (null):P-9999 (6) and CG(40) at 33.7905 52.1178 10.883 in (null):P-9999 (6) neighbor-bump: 2.40121 Ang C(36) at 33.764 54.494 11.228 in (null):N-9999 (5) and CG(40) at 33.7905 52.1178 10.883 in (null):P-9999 (6) neighbor-bump: 1.78065 Ang O(27) at 33.908 57.585 12.436 in (null):G-9999 (4) and ND2(33) at 32.2561 58.2436 12.5258 in (null):N-9999 (5) neighbor-bump: 1.63671 Ang O(27) at 33.908 57.585 12.436 in (null):G-9999 (4) and CG(32) at 32.4463 57.0857 11.8948 in (null):N-9999 (5) neighbor-bump: 2.59161 Ang C(28) at 34.798 56.926 12.972 in (null):G-9999 (4) and CG(32) at 32.4463 57.0857 11.8948 in (null):N-9999 (5) neighbor-bump: 1.78116 Ang C(17) at 40.729 55.147 15.674 in (null):H-9999 (2) and CD(22) at 39.6858 54.3435 16.8734 in (null):P-9999 (3) neighbor-bump: 2.58524 Ang C(17) at 40.729 55.147 15.674 in (null):H-9999 (2) and CG(21) at 39.1573 53.1466 16.1341 in (null):P-9999 (3) Number of specific fragments= 1 total=1552 # 1dbiA.130.133 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 130 :SHPGNPKYE 1dbiA 134 :SLGCDCHTT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83304 Ang C(28) at 8.07 -13.452 23.053 in (null):G-9999 (4) and CD(41) at 8.89658 -13.5659 25.7604 in (null):P-9999 (6) neighbor-bump: 2.47311 Ang N(29) at 8.128 -12.309 23.774 in (null):N-9999 (5) and CD(41) at 8.89658 -13.5659 25.7604 in (null):P-9999 (6) other bump:3.20703 Ang CA(26) at 9.409 -14.018 22.627 in (null):G-9999 (4) and CD(41) at 8.89658 -13.5659 25.7604 in (null):P-9999 (6) Number of specific fragments= 1 total=1553 # 1thm.131.133 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 131 :HPGNPKYEI 1thm 134 :LGGTVGNSG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44828 Ang O(45) at 25.167 21.394 32.153 in (null):K-9999 (6) and CD1(51) at 23.0462 22.3938 31.4483 in (null):Y-9999 (7) neighbor-bump: 2.08963 Ang C(30) at 28.859 24.811 27.93 in (null):N-9999 (4) and CD(35) at 27.4348 25.8789 29.0245 in (null):P-9999 (5) neighbor-bump: 1.98828 Ang CA(3) at 21.223 23.476 19.364 in (null):H-9999 (1) and CD(16) at 23.1617 23.6526 19.7681 in (null):P-9999 (2) neighbor-bump: 1.89516 Ang O(10) at 22.777 21.839 20.161 in (null):H-9999 (1) and CD(16) at 23.1617 23.6526 19.7681 in (null):P-9999 (2) neighbor-bump: 1.15554 Ang C(11) at 22.344 23.011 20.273 in (null):H-9999 (1) and CD(16) at 23.1617 23.6526 19.7681 in (null):P-9999 (2) neighbor-bump: 1.85844 Ang O(10) at 22.777 21.839 20.161 in (null):H-9999 (1) and CG(15) at 24.3654 22.7586 19.8693 in (null):P-9999 (2) neighbor-bump: 2.07674 Ang C(11) at 22.344 23.011 20.273 in (null):H-9999 (1) and CG(15) at 24.3654 22.7586 19.8693 in (null):P-9999 (2) Number of specific fragments= 1 total=1554 # 3dni.131.132 read from T0147_twice.t2k.frag # found chain 3dni in template set T0147_twice 131 :HPGNPKYEI 3dni 133 :LHSAPSDAV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34622 Ang CA(13) at -45.338 22.926 14.607 in (null):P-9999 (2) and CB(14) at -44.244 22.5342 13.9274 in (null):P-9999 (2) Number of specific fragments= 1 total=1555 # 2dnjA.131.132 read from T0147_twice.t2k.frag # found chain 2dnjA in template set T0147_twice 131 :HPGNPKYEI 2dnjA 133 :LHSAPSDAV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87132 Ang NE2(9) at 43.9122 33.0264 39.902 in (null):H-9999 (1) and CA(20) at 45.617 35.336 39.963 in (null):G-9999 (3) other bump:3.01911 Ang CE1(8) at 43.5244 33.5284 38.7512 in (null):H-9999 (1) and CA(20) at 45.617 35.336 39.963 in (null):G-9999 (3) self-bump: 1.35184 Ang CA(13) at 47.997 34.181 37.209 in (null):P-9999 (2) and CB(14) at 49.0283 34.5608 36.4218 in (null):P-9999 (2) Number of specific fragments= 1 total=1556 # 1dbiA.131.134 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 131 :HPGNPKYEI 1dbiA 135 :LGCDCHTTT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.20703 Ang CA(20) at 9.409 -14.018 22.627 in (null):G-9999 (3) and CD(35) at 8.89658 -13.5659 25.7604 in (null):P-9999 (5) other bump:2.83304 Ang C(22) at 8.07 -13.452 23.053 in (null):G-9999 (3) and CD(35) at 8.89658 -13.5659 25.7604 in (null):P-9999 (5) neighbor-bump: 2.47311 Ang N(23) at 8.128 -12.309 23.774 in (null):N-9999 (4) and CD(35) at 8.89658 -13.5659 25.7604 in (null):P-9999 (5) Number of specific fragments= 1 total=1557 # 2bjxA.131.24 read from T0147_twice.t2k.frag # found chain 2bjxA in template set T0147_twice 131 :HPGNPKYEI 2bjxA 143 :FFKDVESDS Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83847 Ang CB(25) at 15.2733 -8.61183 1.69357 in (null):N-9999 (4) and OH(56) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (7) other bump:1.7287 Ang ND2(27) at 15.8512 -8.74006 4.03168 in (null):N-9999 (4) and OH(56) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (7) other bump:1.53463 Ang CG(26) at 16.2982 -8.52594 2.80452 in (null):N-9999 (4) and OH(56) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (7) other bump:1.55836 Ang OD1(28) at 17.473 -8.1973 2.56758 in (null):N-9999 (4) and OH(56) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (7) other bump:1.90663 Ang CB(25) at 15.2733 -8.61183 1.69357 in (null):N-9999 (4) and CZ(55) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (7) other bump:1.88309 Ang ND2(27) at 15.8512 -8.74006 4.03168 in (null):N-9999 (4) and CZ(55) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (7) other bump:1.38162 Ang CG(26) at 16.2982 -8.52594 2.80452 in (null):N-9999 (4) and CZ(55) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (7) other bump:2.04656 Ang OD1(28) at 17.473 -8.1973 2.56758 in (null):N-9999 (4) and CZ(55) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (7) other bump:0.534498 Ang CB(25) at 15.2733 -8.61183 1.69357 in (null):N-9999 (4) and CE2(54) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (7) other bump:2.04859 Ang ND2(27) at 15.8512 -8.74006 4.03168 in (null):N-9999 (4) and CE2(54) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (7) other bump:2.06068 Ang CA(24) at 15.141 -7.227 0.983 in (null):N-9999 (4) and CE2(54) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (7) other bump:3.01768 Ang C(30) at 14.209 -7.412 -0.218 in (null):N-9999 (4) and CE2(54) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (7) other bump:2.75897 Ang N(23) at 14.466 -6.406 2.028 in (null):N-9999 (4) and CE2(54) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (7) other bump:1.20562 Ang CG(26) at 16.2982 -8.52594 2.80452 in (null):N-9999 (4) and CE2(54) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (7) other bump:2.19617 Ang OD1(28) at 17.473 -8.1973 2.56758 in (null):N-9999 (4) and CE2(54) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (7) other bump:2.87054 Ang CB(25) at 15.2733 -8.61183 1.69357 in (null):N-9999 (4) and CE1(53) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (7) other bump:3.00885 Ang ND2(27) at 15.8512 -8.74006 4.03168 in (null):N-9999 (4) and CE1(53) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (7) other bump:2.75622 Ang CG(26) at 16.2982 -8.52594 2.80452 in (null):N-9999 (4) and CE1(53) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (7) other bump:1.24223 Ang CB(25) at 15.2733 -8.61183 1.69357 in (null):N-9999 (4) and CD2(52) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (7) other bump:2.30176 Ang CA(24) at 15.141 -7.227 0.983 in (null):N-9999 (4) and CD2(52) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (7) other bump:2.05068 Ang O(29) at 13.658 -8.474 -0.43 in (null):N-9999 (4) and CD2(52) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (7) other bump:2.47008 Ang C(30) at 14.209 -7.412 -0.218 in (null):N-9999 (4) and CD2(52) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (7) other bump:2.59288 Ang CG(26) at 16.2982 -8.52594 2.80452 in (null):N-9999 (4) and CD2(52) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (7) other bump:2.49115 Ang CB(25) at 15.2733 -8.61183 1.69357 in (null):N-9999 (4) and CG(50) at 14.2647 -10.7723 0.971673 in (null):Y-9999 (7) Number of specific fragments= 1 total=1558 # 1bjx.131.24 read from T0147_twice.t2k.frag # found chain 1bjx in template set T0147_twice 131 :HPGNPKYEI 1bjx 143 :FFKDVESDS Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83847 Ang CB(25) at 15.2733 -8.61183 1.69357 in (null):N-9999 (4) and OH(56) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (7) other bump:1.7287 Ang ND2(27) at 15.8512 -8.74006 4.03168 in (null):N-9999 (4) and OH(56) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (7) other bump:1.53463 Ang CG(26) at 16.2982 -8.52594 2.80452 in (null):N-9999 (4) and OH(56) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (7) other bump:1.55836 Ang OD1(28) at 17.473 -8.1973 2.56758 in (null):N-9999 (4) and OH(56) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (7) other bump:1.90663 Ang CB(25) at 15.2733 -8.61183 1.69357 in (null):N-9999 (4) and CZ(55) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (7) other bump:1.88309 Ang ND2(27) at 15.8512 -8.74006 4.03168 in (null):N-9999 (4) and CZ(55) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (7) other bump:1.38162 Ang CG(26) at 16.2982 -8.52594 2.80452 in (null):N-9999 (4) and CZ(55) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (7) other bump:2.04656 Ang OD1(28) at 17.473 -8.1973 2.56758 in (null):N-9999 (4) and CZ(55) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (7) other bump:0.534498 Ang CB(25) at 15.2733 -8.61183 1.69357 in (null):N-9999 (4) and CE2(54) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (7) other bump:2.04859 Ang ND2(27) at 15.8512 -8.74006 4.03168 in (null):N-9999 (4) and CE2(54) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (7) other bump:2.06068 Ang CA(24) at 15.141 -7.227 0.983 in (null):N-9999 (4) and CE2(54) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (7) other bump:3.01768 Ang C(30) at 14.209 -7.412 -0.218 in (null):N-9999 (4) and CE2(54) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (7) other bump:2.75897 Ang N(23) at 14.466 -6.406 2.028 in (null):N-9999 (4) and CE2(54) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (7) other bump:1.20562 Ang CG(26) at 16.2982 -8.52594 2.80452 in (null):N-9999 (4) and CE2(54) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (7) other bump:2.19617 Ang OD1(28) at 17.473 -8.1973 2.56758 in (null):N-9999 (4) and CE2(54) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (7) other bump:2.87054 Ang CB(25) at 15.2733 -8.61183 1.69357 in (null):N-9999 (4) and CE1(53) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (7) other bump:3.00885 Ang ND2(27) at 15.8512 -8.74006 4.03168 in (null):N-9999 (4) and CE1(53) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (7) other bump:2.75622 Ang CG(26) at 16.2982 -8.52594 2.80452 in (null):N-9999 (4) and CE1(53) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (7) other bump:1.24223 Ang CB(25) at 15.2733 -8.61183 1.69357 in (null):N-9999 (4) and CD2(52) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (7) other bump:2.30176 Ang CA(24) at 15.141 -7.227 0.983 in (null):N-9999 (4) and CD2(52) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (7) other bump:2.05068 Ang O(29) at 13.658 -8.474 -0.43 in (null):N-9999 (4) and CD2(52) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (7) other bump:2.47008 Ang C(30) at 14.209 -7.412 -0.218 in (null):N-9999 (4) and CD2(52) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (7) other bump:2.59288 Ang CG(26) at 16.2982 -8.52594 2.80452 in (null):N-9999 (4) and CD2(52) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (7) other bump:2.49115 Ang CB(25) at 15.2733 -8.61183 1.69357 in (null):N-9999 (4) and CG(50) at 14.2647 -10.7723 0.971673 in (null):Y-9999 (7) Number of specific fragments= 1 total=1559 # 1thm.132.134 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 132 :PGNPKYEID 1thm 135 :GGTVGNSGL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44828 Ang O(35) at 25.167 21.394 32.153 in (null):K-9999 (5) and CD1(41) at 23.0462 22.3938 31.4483 in (null):Y-9999 (6) neighbor-bump: 2.08963 Ang C(20) at 28.859 24.811 27.93 in (null):N-9999 (3) and CD(25) at 27.4348 25.8789 29.0245 in (null):P-9999 (4) neighbor-bump: 1.89516 Ang O(0) at 22.777 21.839 20.161 in (null):G-9999 (0) and CD(6) at 23.1617 23.6526 19.7682 in (null):P-9999 (1) neighbor-bump: 1.15554 Ang C(1) at 22.344 23.011 20.273 in (null):G-9999 (0) and CD(6) at 23.1617 23.6526 19.7682 in (null):P-9999 (1) neighbor-bump: 1.85844 Ang O(0) at 22.777 21.839 20.161 in (null):G-9999 (0) and CG(5) at 24.3654 22.7586 19.8693 in (null):P-9999 (1) neighbor-bump: 2.07674 Ang C(1) at 22.344 23.011 20.273 in (null):G-9999 (0) and CG(5) at 24.3654 22.7586 19.8693 in (null):P-9999 (1) Number of specific fragments= 1 total=1560 # 1dbiA.132.135 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 132 :PGNPKYEID 1dbiA 136 :GCDCHTTTL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83304 Ang C(12) at 8.07 -13.452 23.053 in (null):G-9999 (2) and CD(25) at 8.89658 -13.5659 25.7604 in (null):P-9999 (4) neighbor-bump: 2.47311 Ang N(13) at 8.128 -12.309 23.774 in (null):N-9999 (3) and CD(25) at 8.89658 -13.5659 25.7604 in (null):P-9999 (4) other bump:3.20703 Ang CA(10) at 9.409 -14.018 22.627 in (null):G-9999 (2) and CD(25) at 8.89658 -13.5659 25.7604 in (null):P-9999 (4) Number of specific fragments= 1 total=1561 # 2bjxA.132.25 read from T0147_twice.t2k.frag # found chain 2bjxA in template set T0147_twice 132 :PGNPKYEID 2bjxA 144 :FKDVESDSA Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70386 Ang C(27) at 13.533 -7.692 -3.059 in (null):P-9999 (4) and OD2(71) at 11.97 -7.03761 -0.951952 in (null):D-9999 (9) other bump:2.27706 Ang O(19) at 13.658 -8.474 -0.43 in (null):N-9999 (3) and OD2(71) at 11.97 -7.03761 -0.951952 in (null):D-9999 (9) other bump:2.38578 Ang C(20) at 14.209 -7.412 -0.218 in (null):N-9999 (3) and OD2(71) at 11.97 -7.03761 -0.951952 in (null):D-9999 (9) other bump:2.1599 Ang N(21) at 14.028 -6.384 -1.003 in (null):P-9999 (4) and OD2(71) at 11.97 -7.03761 -0.951952 in (null):D-9999 (9) other bump:1.77897 Ang CA(22) at 13.129 -6.498 -2.189 in (null):P-9999 (4) and OD2(71) at 11.97 -7.03761 -0.951952 in (null):D-9999 (9) other bump:2.49717 Ang CB(4) at 10.1904 -5.18179 1.24311 in (null):P-9999 (1) and OD1(70) at 9.97842 -7.31265 -0.0415506 in (null):D-9999 (9) other bump:2.79633 Ang CA(22) at 13.129 -6.498 -2.189 in (null):P-9999 (4) and CG(69) at 10.7899 -7.44876 -0.987305 in (null):D-9999 (9) other bump:3.25291 Ang CA(22) at 13.129 -6.498 -2.189 in (null):P-9999 (4) and CB(68) at 10.3194 -8.13614 -2.25249 in (null):D-9999 (9) other bump:2.83847 Ang CB(15) at 15.2733 -8.61183 1.69357 in (null):N-9999 (3) and OH(46) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (6) other bump:1.7287 Ang ND2(17) at 15.8512 -8.74006 4.03168 in (null):N-9999 (3) and OH(46) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (6) other bump:1.53463 Ang CG(16) at 16.2982 -8.52594 2.80452 in (null):N-9999 (3) and OH(46) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (6) other bump:1.55836 Ang OD1(18) at 17.473 -8.1973 2.56758 in (null):N-9999 (3) and OH(46) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (6) other bump:1.90663 Ang CB(15) at 15.2733 -8.61183 1.69357 in (null):N-9999 (3) and CZ(45) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (6) other bump:1.88309 Ang ND2(17) at 15.8512 -8.74006 4.03168 in (null):N-9999 (3) and CZ(45) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (6) other bump:1.38162 Ang CG(16) at 16.2982 -8.52594 2.80452 in (null):N-9999 (3) and CZ(45) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (6) other bump:2.04656 Ang OD1(18) at 17.473 -8.1973 2.56758 in (null):N-9999 (3) and CZ(45) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (6) other bump:3.01768 Ang C(20) at 14.209 -7.412 -0.218 in (null):N-9999 (3) and CE2(44) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (6) other bump:2.75897 Ang N(13) at 14.466 -6.406 2.028 in (null):N-9999 (3) and CE2(44) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (6) other bump:2.06068 Ang CA(14) at 15.141 -7.227 0.983 in (null):N-9999 (3) and CE2(44) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (6) other bump:0.534498 Ang CB(15) at 15.2733 -8.61183 1.69357 in (null):N-9999 (3) and CE2(44) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (6) other bump:2.04859 Ang ND2(17) at 15.8512 -8.74006 4.03168 in (null):N-9999 (3) and CE2(44) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (6) other bump:1.20562 Ang CG(16) at 16.2982 -8.52594 2.80452 in (null):N-9999 (3) and CE2(44) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (6) other bump:2.19617 Ang OD1(18) at 17.473 -8.1973 2.56758 in (null):N-9999 (3) and CE2(44) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (6) other bump:2.87054 Ang CB(15) at 15.2733 -8.61183 1.69357 in (null):N-9999 (3) and CE1(43) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (6) other bump:3.00885 Ang ND2(17) at 15.8512 -8.74006 4.03168 in (null):N-9999 (3) and CE1(43) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (6) other bump:2.75622 Ang CG(16) at 16.2982 -8.52594 2.80452 in (null):N-9999 (3) and CE1(43) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (6) other bump:2.05068 Ang O(19) at 13.658 -8.474 -0.43 in (null):N-9999 (3) and CD2(42) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (6) other bump:2.47008 Ang C(20) at 14.209 -7.412 -0.218 in (null):N-9999 (3) and CD2(42) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (6) other bump:2.30176 Ang CA(14) at 15.141 -7.227 0.983 in (null):N-9999 (3) and CD2(42) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (6) other bump:1.24223 Ang CB(15) at 15.2733 -8.61183 1.69357 in (null):N-9999 (3) and CD2(42) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (6) other bump:2.59288 Ang CG(16) at 16.2982 -8.52594 2.80452 in (null):N-9999 (3) and CD2(42) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (6) other bump:2.49115 Ang CB(15) at 15.2733 -8.61183 1.69357 in (null):N-9999 (3) and CG(40) at 14.2647 -10.7723 0.971673 in (null):Y-9999 (6) Number of specific fragments= 1 total=1562 # 1bjx.132.25 read from T0147_twice.t2k.frag # found chain 1bjx in template set T0147_twice 132 :PGNPKYEID 1bjx 144 :FKDVESDSA Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70386 Ang C(27) at 13.533 -7.692 -3.059 in (null):P-9999 (4) and OD2(71) at 11.97 -7.03761 -0.951952 in (null):D-9999 (9) other bump:2.27706 Ang O(19) at 13.658 -8.474 -0.43 in (null):N-9999 (3) and OD2(71) at 11.97 -7.03761 -0.951952 in (null):D-9999 (9) other bump:2.38578 Ang C(20) at 14.209 -7.412 -0.218 in (null):N-9999 (3) and OD2(71) at 11.97 -7.03761 -0.951952 in (null):D-9999 (9) other bump:2.1599 Ang N(21) at 14.028 -6.384 -1.003 in (null):P-9999 (4) and OD2(71) at 11.97 -7.03761 -0.951952 in (null):D-9999 (9) other bump:1.77897 Ang CA(22) at 13.129 -6.498 -2.189 in (null):P-9999 (4) and OD2(71) at 11.97 -7.03761 -0.951952 in (null):D-9999 (9) other bump:2.49717 Ang CB(4) at 10.1904 -5.18179 1.24311 in (null):P-9999 (1) and OD1(70) at 9.97842 -7.31265 -0.0415506 in (null):D-9999 (9) other bump:2.79633 Ang CA(22) at 13.129 -6.498 -2.189 in (null):P-9999 (4) and CG(69) at 10.7899 -7.44876 -0.987305 in (null):D-9999 (9) other bump:3.25291 Ang CA(22) at 13.129 -6.498 -2.189 in (null):P-9999 (4) and CB(68) at 10.3194 -8.13614 -2.25249 in (null):D-9999 (9) other bump:2.83847 Ang CB(15) at 15.2733 -8.61183 1.69357 in (null):N-9999 (3) and OH(46) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (6) other bump:1.7287 Ang ND2(17) at 15.8512 -8.74006 4.03168 in (null):N-9999 (3) and OH(46) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (6) other bump:1.53463 Ang CG(16) at 16.2982 -8.52594 2.80452 in (null):N-9999 (3) and OH(46) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (6) other bump:1.55836 Ang OD1(18) at 17.473 -8.1973 2.56758 in (null):N-9999 (3) and OH(46) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (6) other bump:1.90663 Ang CB(15) at 15.2733 -8.61183 1.69357 in (null):N-9999 (3) and CZ(45) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (6) other bump:1.88309 Ang ND2(17) at 15.8512 -8.74006 4.03168 in (null):N-9999 (3) and CZ(45) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (6) other bump:1.38162 Ang CG(16) at 16.2982 -8.52594 2.80452 in (null):N-9999 (3) and CZ(45) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (6) other bump:2.04656 Ang OD1(18) at 17.473 -8.1973 2.56758 in (null):N-9999 (3) and CZ(45) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (6) other bump:3.01768 Ang C(20) at 14.209 -7.412 -0.218 in (null):N-9999 (3) and CE2(44) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (6) other bump:2.75897 Ang N(13) at 14.466 -6.406 2.028 in (null):N-9999 (3) and CE2(44) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (6) other bump:2.06068 Ang CA(14) at 15.141 -7.227 0.983 in (null):N-9999 (3) and CE2(44) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (6) other bump:0.534498 Ang CB(15) at 15.2733 -8.61183 1.69357 in (null):N-9999 (3) and CE2(44) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (6) other bump:2.04859 Ang ND2(17) at 15.8512 -8.74006 4.03168 in (null):N-9999 (3) and CE2(44) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (6) other bump:1.20562 Ang CG(16) at 16.2982 -8.52594 2.80452 in (null):N-9999 (3) and CE2(44) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (6) other bump:2.19617 Ang OD1(18) at 17.473 -8.1973 2.56758 in (null):N-9999 (3) and CE2(44) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (6) other bump:2.87054 Ang CB(15) at 15.2733 -8.61183 1.69357 in (null):N-9999 (3) and CE1(43) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (6) other bump:3.00885 Ang ND2(17) at 15.8512 -8.74006 4.03168 in (null):N-9999 (3) and CE1(43) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (6) other bump:2.75622 Ang CG(16) at 16.2982 -8.52594 2.80452 in (null):N-9999 (3) and CE1(43) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (6) other bump:2.05068 Ang O(19) at 13.658 -8.474 -0.43 in (null):N-9999 (3) and CD2(42) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (6) other bump:2.47008 Ang C(20) at 14.209 -7.412 -0.218 in (null):N-9999 (3) and CD2(42) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (6) other bump:2.30176 Ang CA(14) at 15.141 -7.227 0.983 in (null):N-9999 (3) and CD2(42) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (6) other bump:1.24223 Ang CB(15) at 15.2733 -8.61183 1.69357 in (null):N-9999 (3) and CD2(42) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (6) other bump:2.59288 Ang CG(16) at 16.2982 -8.52594 2.80452 in (null):N-9999 (3) and CD2(42) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (6) other bump:2.49115 Ang CB(15) at 15.2733 -8.61183 1.69357 in (null):N-9999 (3) and CG(40) at 14.2647 -10.7723 0.971673 in (null):Y-9999 (6) Number of specific fragments= 1 total=1563 # 3dni.132.133 read from T0147_twice.t2k.frag # found chain 3dni in template set T0147_twice 132 :PGNPKYEID 3dni 134 :HSAPSDAVA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34622 Ang CA(3) at -45.338 22.926 14.607 in (null):P-9999 (1) and CB(4) at -44.244 22.5342 13.9274 in (null):P-9999 (1) Number of specific fragments= 1 total=1564 # 2dnjA.132.133 read from T0147_twice.t2k.frag # found chain 2dnjA in template set T0147_twice 132 :PGNPKYEID 2dnjA 134 :HSAPSDAVA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.2746 Ang CG1(61) at 39.9988 34.9705 49.4141 in (null):I-9999 (8) and OD1(70) at 37.0939 35.2034 47.9208 in (null):D-9999 (9) self-bump: 1.35185 Ang CA(3) at 47.997 34.181 37.209 in (null):P-9999 (1) and CB(4) at 49.0283 34.5608 36.4218 in (null):P-9999 (1) Number of specific fragments= 1 total=1565 # 1thm.133.135 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 133 :GNPKYEIDV 1thm 136 :GTVGNSGLQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44828 Ang O(28) at 25.167 21.394 32.153 in (null):K-9999 (4) and CD1(34) at 23.0462 22.3938 31.4483 in (null):Y-9999 (5) neighbor-bump: 2.08963 Ang C(13) at 28.859 24.811 27.93 in (null):N-9999 (2) and CD(18) at 27.4348 25.8789 29.0245 in (null):P-9999 (3) Number of specific fragments= 1 total=1566 # 1sur.133.77 read from T0147_twice.t2k.frag # adding 1sur to template set 1sur:# found chain 1sur in template set T0147_twice 133 :GNPKYEIDV 1sur 78 :TGYLFPETY Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.25708 Ang N(14) at 39.033 8.037 76.147 in (null):P-9999 (3) and CD(18) at 38.2883 8.70014 76.9124 in (null):P-9999 (3) other bump:2.22979 Ang O(4) at 36.908 10.306 77.611 in (null):G-9999 (1) and CD(18) at 38.2883 8.70014 76.9124 in (null):P-9999 (3) neighbor-bump: 1.91519 Ang CA(7) at 39.631 9.867 77.622 in (null):N-9999 (2) and CD(18) at 38.2883 8.70014 76.9124 in (null):P-9999 (3) neighbor-bump: 2.63626 Ang CB(8) at 39.2448 9.99767 78.9984 in (null):N-9999 (2) and CD(18) at 38.2883 8.70014 76.9124 in (null):P-9999 (3) neighbor-bump: 1.43541 Ang C(13) at 39.641 8.396 77.284 in (null):N-9999 (2) and CD(18) at 38.2883 8.70014 76.9124 in (null):P-9999 (3) other bump:2.19436 Ang C(5) at 37.584 10.767 76.695 in (null):G-9999 (1) and CD(18) at 38.2883 8.70014 76.9124 in (null):P-9999 (3) neighbor-bump: 2.03128 Ang N(6) at 38.905 10.613 76.618 in (null):N-9999 (2) and CD(18) at 38.2883 8.70014 76.9124 in (null):P-9999 (3) self-bump: 2.12401 Ang N(14) at 39.033 8.037 76.147 in (null):P-9999 (3) and CG(17) at 37.2361 7.64835 77.2108 in (null):P-9999 (3) neighbor-bump: 2.51948 Ang C(13) at 39.641 8.396 77.284 in (null):N-9999 (2) and CG(17) at 37.2361 7.64835 77.2108 in (null):P-9999 (3) other bump:3.18009 Ang C(5) at 37.584 10.767 76.695 in (null):G-9999 (1) and CG(17) at 37.2361 7.64835 77.2108 in (null):P-9999 (3) Number of specific fragments= 1 total=1567 # 1dbiA.133.136 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 133 :GNPKYEIDV 1dbiA 137 :CDCHTTTLE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83304 Ang C(5) at 8.07 -13.452 23.053 in (null):G-9999 (1) and CD(18) at 8.89658 -13.5659 25.7604 in (null):P-9999 (3) other bump:3.20703 Ang CA(3) at 9.409 -14.018 22.627 in (null):G-9999 (1) and CD(18) at 8.89658 -13.5659 25.7604 in (null):P-9999 (3) neighbor-bump: 2.47311 Ang N(6) at 8.128 -12.309 23.774 in (null):N-9999 (2) and CD(18) at 8.89658 -13.5659 25.7604 in (null):P-9999 (3) Number of specific fragments= 1 total=1568 # 1bjx.133.26 read from T0147_twice.t2k.frag # found chain 1bjx in template set T0147_twice 133 :GNPKYEIDV 1bjx 145 :KDVESDSAK Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80938 Ang C(20) at 13.533 -7.692 -3.059 in (null):P-9999 (3) and OD2(64) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (8) other bump:2.75238 Ang C(13) at 14.209 -7.412 -0.218 in (null):N-9999 (2) and OD2(64) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (8) other bump:2.29032 Ang N(14) at 14.028 -6.384 -1.003 in (null):P-9999 (3) and OD2(64) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (8) other bump:1.71293 Ang CA(15) at 13.129 -6.498 -2.189 in (null):P-9999 (3) and OD2(64) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (8) other bump:2.6703 Ang CB(16) at 13.2348 -5.19747 -2.8887 in (null):P-9999 (3) and OD2(64) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (8) other bump:2.78129 Ang CA(15) at 13.129 -6.498 -2.189 in (null):P-9999 (3) and CG(62) at 10.6759 -7.23329 -1.10394 in (null):D-9999 (8) other bump:3.26896 Ang CA(15) at 13.129 -6.498 -2.189 in (null):P-9999 (3) and CB(61) at 10.2974 -8.12935 -2.27093 in (null):D-9999 (8) other bump:2.83847 Ang CB(8) at 15.2733 -8.61183 1.69357 in (null):N-9999 (2) and OH(39) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (5) other bump:1.53463 Ang CG(9) at 16.2982 -8.52594 2.80452 in (null):N-9999 (2) and OH(39) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (5) other bump:1.7287 Ang ND2(10) at 15.8512 -8.74006 4.03168 in (null):N-9999 (2) and OH(39) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (5) other bump:1.55836 Ang OD1(11) at 17.473 -8.1973 2.56758 in (null):N-9999 (2) and OH(39) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (5) other bump:1.90663 Ang CB(8) at 15.2733 -8.61183 1.69357 in (null):N-9999 (2) and CZ(38) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (5) other bump:1.38162 Ang CG(9) at 16.2982 -8.52594 2.80452 in (null):N-9999 (2) and CZ(38) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (5) other bump:1.88309 Ang ND2(10) at 15.8512 -8.74006 4.03168 in (null):N-9999 (2) and CZ(38) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (5) other bump:2.04656 Ang OD1(11) at 17.473 -8.1973 2.56758 in (null):N-9999 (2) and CZ(38) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (5) other bump:0.534498 Ang CB(8) at 15.2733 -8.61183 1.69357 in (null):N-9999 (2) and CE2(37) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (5) other bump:1.20562 Ang CG(9) at 16.2982 -8.52594 2.80452 in (null):N-9999 (2) and CE2(37) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (5) other bump:2.04859 Ang ND2(10) at 15.8512 -8.74006 4.03168 in (null):N-9999 (2) and CE2(37) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (5) other bump:3.01768 Ang C(13) at 14.209 -7.412 -0.218 in (null):N-9999 (2) and CE2(37) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (5) other bump:2.75897 Ang N(6) at 14.466 -6.406 2.028 in (null):N-9999 (2) and CE2(37) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (5) other bump:2.06068 Ang CA(7) at 15.141 -7.227 0.983 in (null):N-9999 (2) and CE2(37) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (5) other bump:2.19617 Ang OD1(11) at 17.473 -8.1973 2.56758 in (null):N-9999 (2) and CE2(37) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (5) other bump:2.87054 Ang CB(8) at 15.2733 -8.61183 1.69357 in (null):N-9999 (2) and CE1(36) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (5) other bump:2.75622 Ang CG(9) at 16.2982 -8.52594 2.80452 in (null):N-9999 (2) and CE1(36) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (5) other bump:3.00885 Ang ND2(10) at 15.8512 -8.74006 4.03168 in (null):N-9999 (2) and CE1(36) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (5) other bump:2.05068 Ang O(12) at 13.658 -8.474 -0.43 in (null):N-9999 (2) and CD2(35) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (5) other bump:1.24223 Ang CB(8) at 15.2733 -8.61183 1.69357 in (null):N-9999 (2) and CD2(35) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (5) other bump:2.59288 Ang CG(9) at 16.2982 -8.52594 2.80452 in (null):N-9999 (2) and CD2(35) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (5) other bump:2.47008 Ang C(13) at 14.209 -7.412 -0.218 in (null):N-9999 (2) and CD2(35) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (5) other bump:2.30176 Ang CA(7) at 15.141 -7.227 0.983 in (null):N-9999 (2) and CD2(35) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (5) other bump:2.49115 Ang CB(8) at 15.2733 -8.61183 1.69357 in (null):N-9999 (2) and CG(33) at 14.2647 -10.7723 0.971673 in (null):Y-9999 (5) Number of specific fragments= 1 total=1569 # 2bjxA.133.26 read from T0147_twice.t2k.frag # found chain 2bjxA in template set T0147_twice 133 :GNPKYEIDV 2bjxA 145 :KDVESDSAK Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80938 Ang C(20) at 13.533 -7.692 -3.059 in (null):P-9999 (3) and OD2(64) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (8) other bump:2.75238 Ang C(13) at 14.209 -7.412 -0.218 in (null):N-9999 (2) and OD2(64) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (8) other bump:2.29032 Ang N(14) at 14.028 -6.384 -1.003 in (null):P-9999 (3) and OD2(64) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (8) other bump:1.71293 Ang CA(15) at 13.129 -6.498 -2.189 in (null):P-9999 (3) and OD2(64) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (8) other bump:2.6703 Ang CB(16) at 13.2348 -5.19747 -2.8887 in (null):P-9999 (3) and OD2(64) at 11.7551 -6.6097 -1.17211 in (null):D-9999 (8) other bump:2.78129 Ang CA(15) at 13.129 -6.498 -2.189 in (null):P-9999 (3) and CG(62) at 10.6759 -7.23329 -1.10394 in (null):D-9999 (8) other bump:3.26896 Ang CA(15) at 13.129 -6.498 -2.189 in (null):P-9999 (3) and CB(61) at 10.2974 -8.12935 -2.27093 in (null):D-9999 (8) other bump:2.83847 Ang CB(8) at 15.2733 -8.61183 1.69357 in (null):N-9999 (2) and OH(39) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (5) other bump:1.53463 Ang CG(9) at 16.2982 -8.52594 2.80452 in (null):N-9999 (2) and OH(39) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (5) other bump:1.7287 Ang ND2(10) at 15.8512 -8.74006 4.03168 in (null):N-9999 (2) and OH(39) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (5) other bump:1.55836 Ang OD1(11) at 17.473 -8.1973 2.56758 in (null):N-9999 (2) and OH(39) at 17.3193 -9.45898 3.46925 in (null):Y-9999 (5) other bump:1.90663 Ang CB(8) at 15.2733 -8.61183 1.69357 in (null):N-9999 (2) and CZ(38) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (5) other bump:1.38162 Ang CG(9) at 16.2982 -8.52594 2.80452 in (null):N-9999 (2) and CZ(38) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (5) other bump:1.88309 Ang ND2(10) at 15.8512 -8.74006 4.03168 in (null):N-9999 (2) and CZ(38) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (5) other bump:2.04656 Ang OD1(11) at 17.473 -8.1973 2.56758 in (null):N-9999 (2) and CZ(38) at 16.3321 -9.89536 2.62453 in (null):Y-9999 (5) other bump:0.534498 Ang CB(8) at 15.2733 -8.61183 1.69357 in (null):N-9999 (2) and CE2(37) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (5) other bump:1.20562 Ang CG(9) at 16.2982 -8.52594 2.80452 in (null):N-9999 (2) and CE2(37) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (5) other bump:2.04859 Ang ND2(10) at 15.8512 -8.74006 4.03168 in (null):N-9999 (2) and CE2(37) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (5) other bump:3.01768 Ang C(13) at 14.209 -7.412 -0.218 in (null):N-9999 (2) and CE2(37) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (5) other bump:2.75897 Ang N(6) at 14.466 -6.406 2.028 in (null):N-9999 (2) and CE2(37) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (5) other bump:2.06068 Ang CA(7) at 15.141 -7.227 0.983 in (null):N-9999 (2) and CE2(37) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (5) other bump:2.19617 Ang OD1(11) at 17.473 -8.1973 2.56758 in (null):N-9999 (2) and CE2(37) at 15.4886 -8.96845 2.02841 in (null):Y-9999 (5) other bump:2.87054 Ang CB(8) at 15.2733 -8.61183 1.69357 in (null):N-9999 (2) and CE1(36) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (5) other bump:2.75622 Ang CG(9) at 16.2982 -8.52594 2.80452 in (null):N-9999 (2) and CE1(36) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (5) other bump:3.00885 Ang ND2(10) at 15.8512 -8.74006 4.03168 in (null):N-9999 (2) and CE1(36) at 16.1609 -11.2488 2.39965 in (null):Y-9999 (5) other bump:2.05068 Ang O(12) at 13.658 -8.474 -0.43 in (null):N-9999 (2) and CD2(35) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (5) other bump:1.24223 Ang CB(8) at 15.2733 -8.61183 1.69357 in (null):N-9999 (2) and CD2(35) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (5) other bump:2.59288 Ang CG(9) at 16.2982 -8.52594 2.80452 in (null):N-9999 (2) and CD2(35) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (5) other bump:2.47008 Ang C(13) at 14.209 -7.412 -0.218 in (null):N-9999 (2) and CD2(35) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (5) other bump:2.30176 Ang CA(7) at 15.141 -7.227 0.983 in (null):N-9999 (2) and CD2(35) at 14.4587 -9.41384 1.20734 in (null):Y-9999 (5) other bump:2.49115 Ang CB(8) at 15.2733 -8.61183 1.69357 in (null):N-9999 (2) and CG(33) at 14.2647 -10.7723 0.971673 in (null):Y-9999 (5) Number of specific fragments= 1 total=1570 # 3dni.133.134 read from T0147_twice.t2k.frag # found chain 3dni in template set T0147_twice 133 :GNPKYEIDV 3dni 135 :SAPSDAVAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1571 # 1thm.134.136 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 134 :NPKYEIDVK 1thm 137 :TVGNSGLQQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44828 Ang O(24) at 25.167 21.394 32.153 in (null):K-9999 (3) and CD1(30) at 23.0462 22.3938 31.4483 in (null):Y-9999 (4) neighbor-bump: 2.08963 Ang C(9) at 28.859 24.811 27.93 in (null):N-9999 (1) and CD(14) at 27.4348 25.8789 29.0245 in (null):P-9999 (2) Number of specific fragments= 1 total=1572 # 1sur.134.78 read from T0147_twice.t2k.frag # found chain 1sur in template set T0147_twice 134 :NPKYEIDVK 1sur 79 :GYLFPETYR Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.25708 Ang N(10) at 39.033 8.037 76.147 in (null):P-9999 (2) and CD(14) at 38.2883 8.70014 76.9124 in (null):P-9999 (2) neighbor-bump: 1.43541 Ang C(9) at 39.641 8.396 77.284 in (null):N-9999 (1) and CD(14) at 38.2883 8.70014 76.9124 in (null):P-9999 (2) other bump:2.22979 Ang O(0) at 36.908 10.306 77.611 in (null):G-9999 (0) and CD(14) at 38.2883 8.70014 76.9124 in (null):P-9999 (2) other bump:2.19436 Ang C(1) at 37.584 10.767 76.695 in (null):G-9999 (0) and CD(14) at 38.2883 8.70014 76.9124 in (null):P-9999 (2) neighbor-bump: 2.03128 Ang N(2) at 38.905 10.613 76.618 in (null):N-9999 (1) and CD(14) at 38.2883 8.70014 76.9124 in (null):P-9999 (2) neighbor-bump: 1.91519 Ang CA(3) at 39.631 9.867 77.622 in (null):N-9999 (1) and CD(14) at 38.2883 8.70014 76.9124 in (null):P-9999 (2) neighbor-bump: 2.73375 Ang CB(4) at 39.3313 10.0754 79.0324 in (null):N-9999 (1) and CD(14) at 38.2883 8.70014 76.9124 in (null):P-9999 (2) self-bump: 2.12401 Ang N(10) at 39.033 8.037 76.147 in (null):P-9999 (2) and CG(13) at 37.2361 7.64835 77.2108 in (null):P-9999 (2) neighbor-bump: 2.51948 Ang C(9) at 39.641 8.396 77.284 in (null):N-9999 (1) and CG(13) at 37.2361 7.64835 77.2108 in (null):P-9999 (2) other bump:3.18009 Ang C(1) at 37.584 10.767 76.695 in (null):G-9999 (0) and CG(13) at 37.2361 7.64835 77.2108 in (null):P-9999 (2) Number of specific fragments= 1 total=1573 # 2dri.134.134 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 134 :NPKYEIDVK 2dri 135 :TSAARERGE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1574 # 1dbiA.134.137 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 134 :NPKYEIDVK 1dbiA 138 :DCHTTTLEN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83304 Ang C(1) at 8.07 -13.452 23.053 in (null):G-9999 (0) and CD(14) at 8.89658 -13.5659 25.7604 in (null):P-9999 (2) neighbor-bump: 2.47311 Ang N(2) at 8.128 -12.309 23.774 in (null):N-9999 (1) and CD(14) at 8.89658 -13.5659 25.7604 in (null):P-9999 (2) Number of specific fragments= 1 total=1575 # 1eesA.134.134 read from T0147_twice.t2k.frag # adding 1eesA to template set 1eesA:# found chain 1eesA in template set T0147_twice 134 :NPKYEIDVK 1eesA 135 :KPITPETAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1576 # 1d7oA.134.134 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 134 :NPKYEIDVK 1d7oA 145 :KPLLETSRK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9802 Ang CB(4) at -13.1227 9.26994 35.908 in (null):N-9999 (1) and CD1(52) at -10.8444 7.37112 36.2006 in (null):I-9999 (6) Number of specific fragments= 1 total=1577 # 1thm.135.137 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 135 :PKYEIDVKA 1thm 138 :VGNSGLQQA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44828 Ang O(16) at 25.167 21.394 32.153 in (null):K-9999 (2) and CD1(22) at 23.0462 22.3938 31.4483 in (null):Y-9999 (3) Number of specific fragments= 1 total=1578 # 2dri.135.135 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 135 :PKYEIDVKA 2dri 136 :SAARERGEG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1579 # 1sur.135.79 read from T0147_twice.t2k.frag # found chain 1sur in template set T0147_twice 135 :PKYEIDVKA 1sur 80 :YLFPETYRF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.43541 Ang C(1) at 39.641 8.396 77.284 in (null):G-9999 (0) and CD(6) at 38.2883 8.70013 76.9124 in (null):P-9999 (1) self-bump: 1.25708 Ang N(2) at 39.033 8.037 76.147 in (null):P-9999 (1) and CD(6) at 38.2883 8.70013 76.9124 in (null):P-9999 (1) neighbor-bump: 2.51948 Ang C(1) at 39.641 8.396 77.284 in (null):G-9999 (0) and CG(5) at 37.2361 7.64834 77.2108 in (null):P-9999 (1) self-bump: 2.124 Ang N(2) at 39.033 8.037 76.147 in (null):P-9999 (1) and CG(5) at 37.2361 7.64834 77.2108 in (null):P-9999 (1) Number of specific fragments= 1 total=1580 # 1eesA.135.135 read from T0147_twice.t2k.frag # found chain 1eesA in template set T0147_twice 135 :PKYEIDVKA 1eesA 136 :PITPETAEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1581 # 1d7oA.135.135 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 135 :PKYEIDVKA 1d7oA 146 :PLLETSRKG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1582 # 1dbiA.135.138 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 135 :PKYEIDVKA 1dbiA 139 :CHTTTLENA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1583 # 1thm.136.138 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 136 :KYEIDVKAV 1thm 139 :GNSGLQQAV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44828 Ang O(9) at 25.167 21.394 32.153 in (null):K-9999 (1) and CD1(15) at 23.0462 22.3938 31.4483 in (null):Y-9999 (2) neighbor-bump: 2.57057 Ang CG(5) at 26.5294 18.0091 31.8107 in (null):K-9999 (1) and N(11) at 24.397 19.396 31.44 in (null):Y-9999 (2) Number of specific fragments= 1 total=1584 # 2dri.136.136 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 136 :KYEIDVKAV 2dri 137 :AARERGEGF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1585 # 1d7oA.136.136 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 136 :KYEIDVKAV 1d7oA 147 :LLETSRKGY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1586 # 1qbqA.136.136 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 136 :KYEIDVKAV 1qbqA 181 :DPSQELEFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1587 # 1eesA.136.136 read from T0147_twice.t2k.frag # found chain 1eesA in template set T0147_twice 136 :KYEIDVKAV 1eesA 137 :ITPETAEKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1588 # 1sur.136.80 read from T0147_twice.t2k.frag # found chain 1sur in template set T0147_twice 136 :KYEIDVKAV 1sur 81 :LFPETYRFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1589 # 1thm.137.139 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 137 :YEIDVKAVA 1thm 140 :NSGLQQAVN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44828 Ang O(0) at 25.167 21.394 32.153 in (null):G-9999 (0) and CD1(6) at 23.0462 22.3938 31.4483 in (null):Y-9999 (1) Number of specific fragments= 1 total=1590 # 2dri.137.137 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 137 :YEIDVKAVA 2dri 138 :ARERGEGFQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1591 # 1d7oA.137.137 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 137 :YEIDVKAVA 1d7oA 148 :LETSRKGYL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1592 # 1qbqA.137.137 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 137 :YEIDVKAVA 1qbqA 182 :PSQELEFIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1593 # 1eesA.137.137 read from T0147_twice.t2k.frag # found chain 1eesA in template set T0147_twice 137 :YEIDVKAVA 1eesA 138 :TPETAEKLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1594 # 1igs.137.137 read from T0147_twice.t2k.frag # adding 1igs to template set 1igs:# found chain 1igs in template set T0147_twice 137 :YEIDVKAVA 1igs 138 :TERELESLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1595 # 1thm.138.140 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 138 :EIDVKAVAE 1thm 141 :SGLQQAVNY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1596 # 2dri.138.138 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 138 :EIDVKAVAE 2dri 139 :RERGEGFQQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1597 # 1d7oA.138.138 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 138 :EIDVKAVAE 1d7oA 149 :ETSRKGYLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1598 # 1igs.138.138 read from T0147_twice.t2k.frag # found chain 1igs in template set T0147_twice 138 :EIDVKAVAE 1igs 139 :ERELESLLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1599 # 1qbqA.138.138 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 138 :EIDVKAVAE 1qbqA 183 :SQELEFIAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1600 # 1dhpA.138.141 read from T0147_twice.t2k.frag # found chain 1dhpA in template set T0147_twice 138 :EIDVKAVAE 1dhpA 142 :DLLPETVGR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1601 # 1thm.139.141 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 139 :IDVKAVAEA 1thm 142 :GLQQAVNYA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1602 # 2dri.139.139 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 139 :IDVKAVAEA 2dri 140 :ERGEGFQQA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1603 # 1d7oA.139.139 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 139 :IDVKAVAEA 1d7oA 150 :TSRKGYLAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1604 # 1igs.139.139 read from T0147_twice.t2k.frag # found chain 1igs in template set T0147_twice 139 :IDVKAVAEA 1igs 140 :RELESLLEY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1605 # 1qbqA.139.139 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 139 :IDVKAVAEA 1qbqA 184 :QELEFIADI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1606 # 1sur.139.83 read from T0147_twice.t2k.frag # found chain 1sur in template set T0147_twice 139 :IDVKAVAEA 1sur 84 :ETYRFIDEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1607 # 2dri.140.140 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 140 :DVKAVAEAA 2dri 141 :RGEGFQQAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1608 # 1thm.140.142 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 140 :DVKAVAEAA 1thm 143 :LQQAVNYAW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1609 # 1d7oA.140.140 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 140 :DVKAVAEAA 1d7oA 151 :SRKGYLAAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1610 # 1igs.140.140 read from T0147_twice.t2k.frag # found chain 1igs in template set T0147_twice 140 :DVKAVAEAA 1igs 141 :ELESLLEYA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1611 # 1sur.140.84 read from T0147_twice.t2k.frag # found chain 1sur in template set T0147_twice 140 :DVKAVAEAA 1sur 85 :TYRFIDELT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1612 # 1juk.140.140 read from T0147_twice.t2k.frag # adding 1juk to template set 1juk:# found chain 1juk in template set T0147_twice 140 :DVKAVAEAA 1juk 141 :ELESLLEYA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1613 # 2dri.141.141 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 141 :VKAVAEAAA 2dri 142 :GEGFQQAVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1614 # 1thm.141.143 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 141 :VKAVAEAAA 1thm 144 :QQAVNYAWN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1615 # 1d7oA.141.141 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 141 :VKAVAEAAA 1d7oA 152 :RKGYLAAIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1616 # 1igs.141.141 read from T0147_twice.t2k.frag # found chain 1igs in template set T0147_twice 141 :VKAVAEAAA 1igs 142 :LESLLEYAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1617 # 1sur.141.85 read from T0147_twice.t2k.frag # found chain 1sur in template set T0147_twice 141 :VKAVAEAAA 1sur 86 :YRFIDELTD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1618 # 1ofgA.141.137 read from T0147_twice.t2k.frag # adding 1ofgA to template set 1ofgA:# found chain 1ofgA in template set T0147_twice 141 :VKAVAEAAA 1ofgA 138 :CQRMIDAAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1619 # 1thm.142.144 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 142 :KAVAEAAAK 1thm 145 :QAVNYAWNK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1620 # 2dri.142.142 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 142 :KAVAEAAAK 2dri 143 :EGFQQAVAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1621 # 1d7oA.142.142 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 142 :KAVAEAAAK 1d7oA 153 :KGYLAAISA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1622 # 1ofgA.142.138 read from T0147_twice.t2k.frag # found chain 1ofgA in template set T0147_twice 142 :KAVAEAAAK 1ofgA 139 :QRMIDAAKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1623 # 1sur.142.86 read from T0147_twice.t2k.frag # found chain 1sur in template set T0147_twice 142 :KAVAEAAAK 1sur 87 :RFIDELTDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1624 # 1b9hA.142.142 read from T0147_twice.t2k.frag # adding 1b9hA to template set 1b9hA:# found chain 1b9hA in template set T0147_twice 142 :KAVAEAAAK 1b9hA 143 :DALAKISAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1625 # 1thm.143.145 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 143 :AVAEAAAKH 1thm 146 :AVNYAWNKG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1626 # 2dri.143.143 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 143 :AVAEAAAKH 2dri 144 :GFQQAVAAH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1627 # 1d7oA.143.143 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 143 :AVAEAAAKH 1d7oA 154 :GYLAAISAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1628 # 1ofgA.143.139 read from T0147_twice.t2k.frag # found chain 1ofgA in template set T0147_twice 143 :AVAEAAAKH 1ofgA 140 :RMIDAAKAA Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6938 Ang CA(34) at 66.042 28.686 -13.988 in (null):A-9999 (6) and NE2(59) at 64.9648 30.7734 -15.3067 in (null):H-9999 (9) other bump:3.11687 Ang C(32) at 66.154 26.544 -15.127 in (null):A-9999 (5) and CE1(58) at 65.3985 29.5647 -14.9882 in (null):H-9999 (9) other bump:2.61002 Ang N(33) at 66.107 27.251 -14.01 in (null):A-9999 (6) and CE1(58) at 65.3985 29.5647 -14.9882 in (null):H-9999 (9) other bump:1.47875 Ang CA(34) at 66.042 28.686 -13.988 in (null):A-9999 (6) and CE1(58) at 65.3985 29.5647 -14.9882 in (null):H-9999 (9) other bump:2.43204 Ang CB(35) at 65.65 29.117 -12.611 in (null):A-9999 (6) and CE1(58) at 65.3985 29.5647 -14.9882 in (null):H-9999 (9) other bump:2.19419 Ang O(36) at 67.476 30.268 -15.049 in (null):A-9999 (6) and CE1(58) at 65.3985 29.5647 -14.9882 in (null):H-9999 (9) other bump:2.111 Ang C(37) at 67.38 29.267 -14.324 in (null):A-9999 (6) and CE1(58) at 65.3985 29.5647 -14.9882 in (null):H-9999 (9) other bump:1.97475 Ang O(31) at 66.14 27.021 -16.26 in (null):A-9999 (5) and ND1(57) at 65.7869 28.956 -16.0852 in (null):H-9999 (9) other bump:2.62123 Ang C(32) at 66.154 26.544 -15.127 in (null):A-9999 (5) and ND1(57) at 65.7869 28.956 -16.0852 in (null):H-9999 (9) other bump:2.12985 Ang CA(34) at 66.042 28.686 -13.988 in (null):A-9999 (6) and ND1(57) at 65.7869 28.956 -16.0852 in (null):H-9999 (9) other bump:2.37658 Ang O(36) at 67.476 30.268 -15.049 in (null):A-9999 (6) and ND1(57) at 65.7869 28.956 -16.0852 in (null):H-9999 (9) other bump:2.39512 Ang C(37) at 67.38 29.267 -14.324 in (null):A-9999 (6) and ND1(57) at 65.7869 28.956 -16.0852 in (null):H-9999 (9) Number of specific fragments= 1 total=1629 # 1b9hA.143.143 read from T0147_twice.t2k.frag # found chain 1b9hA in template set T0147_twice 143 :AVAEAAAKH 1b9hA 144 :ALAKISADT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16811 Ang OE2(25) at 27.72 10.5564 28.6954 in (null):E-9999 (4) and NZ(49) at 26.1183 9.19092 29.2158 in (null):K-9999 (8) Number of specific fragments= 1 total=1630 # 1sur.143.87 read from T0147_twice.t2k.frag # found chain 1sur in template set T0147_twice 143 :AVAEAAAKH 1sur 88 :FIDELTDKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1631 # 1thm.144.146 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 144 :VAEAAAKHQ 1thm 147 :VNYAWNKGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1632 # 2dri.144.144 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 144 :VAEAAAKHQ 2dri 145 :FQQAVAAHK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1633 # 1b9hA.144.144 read from T0147_twice.t2k.frag # found chain 1b9hA in template set T0147_twice 144 :VAEAAAKHQ 1b9hA 145 :LAKISADTG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16811 Ang OE2(20) at 27.72 10.5564 28.6954 in (null):E-9999 (3) and NZ(44) at 26.1183 9.19092 29.2158 in (null):K-9999 (7) Number of specific fragments= 1 total=1634 # 1d7oA.144.144 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 144 :VAEAAAKHQ 1d7oA 155 :YLAAISASS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1635 # 1dbiA.144.147 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 144 :VAEAAAKHQ 1dbiA 148 :VNYAWNKGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1636 # 1qbqA.144.144 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 144 :VAEAAAKHQ 1qbqA 189 :IADILNQDA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1637 # 1thm.145.147 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 145 :AEAAAKHQV 1thm 148 :NYAWNKGSV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1638 # 2dri.145.145 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 145 :AEAAAKHQV 2dri 146 :QQAVAAHKF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1639 # 1b9hA.145.145 read from T0147_twice.t2k.frag # found chain 1b9hA in template set T0147_twice 145 :AEAAAKHQV 1b9hA 146 :AKISADTGV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.6252 Ang C(49) at 23.603 9.008 19.666 in (null):H-9999 (7) and CB(52) at 25.094 8.27188 17.6346 in (null):Q-9999 (8) other bump:2.16811 Ang OE2(13) at 27.72 10.5564 28.6954 in (null):E-9999 (2) and NZ(37) at 26.1183 9.19092 29.2158 in (null):K-9999 (6) Number of specific fragments= 1 total=1640 # 1dbiA.145.148 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 145 :AEAAAKHQV 1dbiA 149 :NYAWNKGSV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1641 # 1d7oA.145.145 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 145 :AEAAAKHQV 1d7oA 156 :LAAISASSY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1642 # 1h5wA.145.150 read from T0147_twice.t2k.frag # adding 1h5wA to template set 1h5wA:# found chain 1h5wA in template set T0147_twice 145 :AEAAAKHQV 1h5wA 151 :NQNAQKTPV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1643 # 1thm.146.148 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 146 :EAAAKHQVA 1thm 149 :YAWNKGSVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1644 # 1dbiA.146.149 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 146 :EAAAKHQVA 1dbiA 150 :YAWNKGSVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1645 # 2dri.146.146 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 146 :EAAAKHQVA 2dri 147 :QAVAAHKFN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1646 # 1b9hA.146.146 read from T0147_twice.t2k.frag # found chain 1b9hA in template set T0147_twice 146 :EAAAKHQVA 1b9hA 147 :KISADTGVP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.6252 Ang C(44) at 23.603 9.008 19.666 in (null):H-9999 (6) and CB(47) at 25.094 8.27188 17.6346 in (null):Q-9999 (7) other bump:2.16811 Ang OE2(8) at 27.7199 10.5564 28.6954 in (null):E-9999 (1) and NZ(32) at 26.1183 9.19092 29.2158 in (null):K-9999 (5) Number of specific fragments= 1 total=1647 # 1d8wA.146.126 read from T0147_twice.t2k.frag # adding 1d8wA to template set 1d8wA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # found chain 1d8wA in template set T0147_twice 146 :EAAAKHQVA 1d8wA 128 :EWAKANQLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1648 # 1h5wA.146.151 read from T0147_twice.t2k.frag # found chain 1h5wA in template set T0147_twice 146 :EAAAKHQVA 1h5wA 152 :QNAQKTPVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1649 # 1thm.147.149 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 147 :AAAKHQVAL 1thm 150 :AWNKGSVVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1650 # 1dbiA.147.150 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 147 :AAAKHQVAL 1dbiA 151 :AWNKGSVVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1651 # 1h5wA.147.152 read from T0147_twice.t2k.frag # found chain 1h5wA in template set T0147_twice 147 :AAAKHQVAL 1h5wA 153 :NAQKTPVLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1652 # 1b9hA.147.147 read from T0147_twice.t2k.frag # found chain 1b9hA in template set T0147_twice 147 :AAAKHQVAL 1b9hA 148 :ISADTGVPL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.6252 Ang C(35) at 23.603 9.008 19.666 in (null):H-9999 (5) and CB(38) at 25.094 8.27188 17.6346 in (null):Q-9999 (6) Number of specific fragments= 1 total=1653 # 2dri.147.147 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 147 :AAAKHQVAL 2dri 148 :AVAAHKFNV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8179 Ang CG1(48) at 35.8274 47.3638 34.1529 in (null):V-9999 (7) and CD2(62) at 38.3567 46.4884 33.2714 in (null):L-9999 (9) Number of specific fragments= 1 total=1654 # 1d8wA.147.127 read from T0147_twice.t2k.frag # found chain 1d8wA in template set T0147_twice 147 :AAAKHQVAL 1d8wA 129 :WAKANQLGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1655 # 1thm.148.150 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 148 :AAKHQVALE 1thm 151 :WNKGSVVVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1656 # 1dbiA.148.151 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 148 :AAKHQVALE 1dbiA 152 :WNKGSVVVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1657 # 1h5wA.148.153 read from T0147_twice.t2k.frag # found chain 1h5wA in template set T0147_twice 148 :AAKHQVALE 1h5wA 154 :AQKTPVLIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1658 # 1fouA.148.153 read from T0147_twice.t2k.frag # adding 1fouA to template set 1fouA:# found chain 1fouA in template set T0147_twice 148 :AAKHQVALE 1fouA 154 :AQKTPVLIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1659 # 1b9hA.148.148 read from T0147_twice.t2k.frag # found chain 1b9hA in template set T0147_twice 148 :AAKHQVALE 1b9hA 149 :SADTGVPLL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.6252 Ang C(30) at 23.603 9.008 19.666 in (null):H-9999 (4) and CB(33) at 25.094 8.27188 17.6346 in (null):Q-9999 (5) Number of specific fragments= 1 total=1660 # 1ijgA.148.153 read from T0147_twice.t2k.frag # adding 1ijgA to template set 1ijgA:# found chain 1ijgA in template set T0147_twice 148 :AAKHQVALE 1ijgA 154 :AQKTPVLIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1661 # 1thm.149.151 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 149 :AKHQVALEI 1thm 152 :NKGSVVVAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1662 # 1fouA.149.154 read from T0147_twice.t2k.frag # found chain 1fouA in template set T0147_twice 149 :AKHQVALEI 1fouA 155 :QKTPVLIRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1663 # 1h5wA.149.154 read from T0147_twice.t2k.frag # found chain 1h5wA in template set T0147_twice 149 :AKHQVALEI 1h5wA 155 :QKTPVLIRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1664 # 1dbiA.149.152 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 149 :AKHQVALEI 1dbiA 153 :NKGSVVVAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1665 # 1dbiA.149.151 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 149 :AKHQVALEI 1dbiA 152 :WNKGSVVVA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67106 Ang C(1) at 3.326 2.494 32.392 in (null):G-9999 (0) and CG1(38) at 4.16164 3.24413 29.9685 in (null):V-9999 (5) Number of specific fragments= 1 total=1666 # 1thm.149.150 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 149 :AKHQVALEI 1thm 151 :WNKGSVVVA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8832 Ang C(1) at 17.783 6.848 22.968 in (null):G-9999 (0) and CG1(38) at 16.5425 7.85547 20.5682 in (null):V-9999 (5) neighbor-bump: 2.19975 Ang O(24) at 14.687 2.286 21.284 in (null):H-9999 (3) and CB(28) at 15.8088 1.64905 19.5022 in (null):Q-9999 (4) neighbor-bump: 2.60614 Ang C(25) at 15.709 2.677 21.895 in (null):H-9999 (3) and CB(28) at 15.8088 1.64905 19.5022 in (null):Q-9999 (4) Number of specific fragments= 1 total=1667 # 1thm.150.152 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 150 :KHQVALEIN 1thm 153 :KGSVVVAAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1668 # 1fouA.150.155 read from T0147_twice.t2k.frag # found chain 1fouA in template set T0147_twice 150 :KHQVALEIN 1fouA 156 :KTPVLIRAN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.29836 Ang ND2(71) at -15.126 1.981 95.877 in (null):N-9999 (9) and O(73) at -14.155 3.896 96.697 in (null):N-9999 (9) Number of specific fragments= 1 total=1669 # 1dbiA.150.152 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 150 :KHQVALEIN 1dbiA 153 :NKGSVVVAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1670 # 1thm.150.151 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 150 :KHQVALEIN 1thm 152 :NKGSVVVAA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.19975 Ang O(19) at 14.687 2.286 21.284 in (null):H-9999 (2) and CB(23) at 15.8088 1.64905 19.5022 in (null):Q-9999 (3) neighbor-bump: 2.60614 Ang C(20) at 15.709 2.677 21.895 in (null):H-9999 (2) and CB(23) at 15.8088 1.64905 19.5022 in (null):Q-9999 (3) Number of specific fragments= 1 total=1671 # 1ijgA.150.155 read from T0147_twice.t2k.frag # found chain 1ijgA in template set T0147_twice 150 :KHQVALEIN 1ijgA 156 :KTPVLIRAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1672 # 1h5wA.150.155 read from T0147_twice.t2k.frag # found chain 1h5wA in template set T0147_twice 150 :KHQVALEIN 1h5wA 156 :KTPVLIRAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1673 # 1thm.151.153 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 151 :HQVALEINN 1thm 154 :GSVVVAAAG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.8417 Ang C(65) at 29.067 22.474 17.918 in (null):N-9999 (8) and CG(69) at 30.5827 24.5446 19.1389 in (null):N-9999 (9) neighbor-bump: 2.06973 Ang O(64) at 29.723 22.669 18.975 in (null):N-9999 (8) and CG(69) at 30.5827 24.5446 19.1389 in (null):N-9999 (9) neighbor-bump: 2.54711 Ang O(0) at 14.687 2.286 21.284 in (null):G-9999 (0) and CD2(6) at 15.1443 -0.200556 20.9747 in (null):H-9999 (1) Number of specific fragments= 1 total=1674 # 1fouA.151.156 read from T0147_twice.t2k.frag # found chain 1fouA in template set T0147_twice 151 :HQVALEINN 1fouA 157 :TPVLIRAND Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.29836 Ang ND2(62) at -15.126 1.981 95.877 in (null):N-9999 (8) and O(64) at -14.155 3.896 96.697 in (null):N-9999 (8) neighbor-bump: 2.43314 Ang O(0) at -20.264 -2.664 118.148 in (null):G-9999 (0) and CD2(6) at -18.9104 -4.00273 116.633 in (null):H-9999 (1) Number of specific fragments= 1 total=1675 # 1ijgA.151.156 read from T0147_twice.t2k.frag # found chain 1ijgA in template set T0147_twice 151 :HQVALEINN 1ijgA 157 :TPVLIRAND Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1676 # 1h5wA.151.156 read from T0147_twice.t2k.frag # found chain 1h5wA in template set T0147_twice 151 :HQVALEIN 1h5wA 157 :TPVLIRAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=1677 # 1dih.151.151 read from T0147_twice.t2k.frag # adding 1dih to template set 1dih:# found chain 1dih in template set T0147_twice 151 :HQVALEINN 1dih 152 :DIEIIEAHH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.16054 Ang OD1(63) at 36.4328 12.6407 33.317 in (null):N-9999 (8) and OD1(71) at 37.7928 12.5456 31.6409 in (null):N-9999 (9) Number of specific fragments= 1 total=1678 # 1dbiA.151.154 read from T0147_twice.t2k.frag # found chain 1dbiA in template set T0147_twice 151 :HQVALEINN 1dbiA 155 :GSVVVAAAG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.03373 Ang O(64) at 6.771 -12.79 20.082 in (null):N-9999 (8) and CG(69) at 8.14687 -14.2793 20.2402 in (null):N-9999 (9) neighbor-bump: 2.85032 Ang C(65) at 6.989 -11.823 19.374 in (null):N-9999 (8) and CG(69) at 8.14687 -14.2793 20.2402 in (null):N-9999 (9) neighbor-bump: 2.51371 Ang O(0) at 2.152 8.07 32.97 in (null):G-9999 (0) and CD2(6) at 0.16705 9.57457 33.3091 in (null):H-9999 (1) Number of specific fragments= 1 total=1679 # 1fouA.152.157 read from T0147_twice.t2k.frag # found chain 1fouA in template set T0147_twice 152 :QVALEINNS 1fouA 158 :PVLIRANDN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.16161 Ang O(54) at -14.155 3.896 96.697 in (null):N-9999 (7) and CG(59) at -13.9562 5.92451 95.9771 in (null):N-9999 (8) neighbor-bump: 2.83405 Ang C(55) at -14.477 3.888 97.878 in (null):N-9999 (7) and CG(59) at -13.9562 5.92451 95.9771 in (null):N-9999 (8) self-bump: 2.29836 Ang ND2(52) at -15.126 1.981 95.877 in (null):N-9999 (7) and O(54) at -14.155 3.896 96.697 in (null):N-9999 (7) Number of specific fragments= 1 total=1680 # 1ijgA.152.157 read from T0147_twice.t2k.frag # found chain 1ijgA in template set T0147_twice 152 :QVALEINNS 1ijgA 158 :PVLIRANDN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1681 # 1thm.152.154 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 152 :QVALEINNS 1thm 155 :SVVVAAAGN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.72774 Ang C(55) at 29.067 22.474 17.918 in (null):N-9999 (7) and CG(59) at 30.6828 24.3889 18.9964 in (null):N-9999 (8) neighbor-bump: 1.9697 Ang O(54) at 29.723 22.669 18.975 in (null):N-9999 (7) and CG(59) at 30.6828 24.3889 18.9964 in (null):N-9999 (8) neighbor-bump: 2.31377 Ang O(54) at 29.723 22.669 18.975 in (null):N-9999 (7) and CB(58) at 29.2495 24.9325 19.0518 in (null):N-9999 (8) Number of specific fragments= 1 total=1682 # 1dih.152.152 read from T0147_twice.t2k.frag # found chain 1dih in template set T0147_twice 152 :QVALEINNS 1dih 153 :IEIIEAHHR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.16053 Ang OD1(53) at 36.4328 12.6407 33.317 in (null):N-9999 (7) and OD1(61) at 37.7928 12.5456 31.641 in (null):N-9999 (8) Number of specific fragments= 1 total=1683 # 1h5wA.152.157 read from T0147_twice.t2k.frag # found chain 1h5wA in template set T0147_twice 152 :QVALEIN 1h5wA 158 :PVLIRAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 1 total=1684 # 1arzC.152.152 read from T0147_twice.t2k.frag # adding 1arzC to template set 1arzC:# found chain 1arzC in template set T0147_twice 152 :QVALEINNS 1arzC 153 :IEIIEAHHR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.38285 Ang OD1(53) at 78.9389 33.3178 22.5472 in (null):N-9999 (7) and OD1(61) at 80.881 33.512 21.1803 in (null):N-9999 (8) self-bump: 2.76259 Ang OE1(36) at 72.654 31.988 23.567 in (null):E-9999 (5) and C(39) at 70.554 33.131 22.183 in (null):E-9999 (5) Number of specific fragments= 1 total=1685 # 1ijgA.153.158 read from T0147_twice.t2k.frag # found chain 1ijgA in template set T0147_twice 153 :VALEINNSS 1ijgA 159 :VLIRANDNN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1686 # 1fouA.153.158 read from T0147_twice.t2k.frag # found chain 1fouA in template set T0147_twice 153 :VALEINNSS 1fouA 159 :VLIRANDNN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35721 Ang CA(62) at -8.895 9.531 98.382 in (null):S-9999 (9) and CB(63) at -9.14938 10.3284 97.3136 in (null):S-9999 (9) neighbor-bump: 2.83405 Ang C(46) at -14.477 3.888 97.878 in (null):N-9999 (6) and CG(50) at -13.9562 5.92451 95.9771 in (null):N-9999 (7) neighbor-bump: 2.16161 Ang O(45) at -14.155 3.896 96.697 in (null):N-9999 (6) and CG(50) at -13.9562 5.92451 95.9771 in (null):N-9999 (7) self-bump: 2.29836 Ang ND2(43) at -15.126 1.981 95.877 in (null):N-9999 (6) and O(45) at -14.155 3.896 96.697 in (null):N-9999 (6) Number of specific fragments= 1 total=1687 # 1thm.153.155 read from T0147_twice.t2k.frag # found chain 1thm in training set T0147_twice 153 :VALEINNSS 1thm 156 :VVVAAAGNA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.72774 Ang C(46) at 29.067 22.474 17.918 in (null):N-9999 (6) and CG(50) at 30.6828 24.3889 18.9964 in (null):N-9999 (7) neighbor-bump: 1.9697 Ang O(45) at 29.723 22.669 18.975 in (null):N-9999 (6) and CG(50) at 30.6828 24.3889 18.9964 in (null):N-9999 (7) neighbor-bump: 2.31377 Ang O(45) at 29.723 22.669 18.975 in (null):N-9999 (6) and CB(49) at 29.2495 24.9325 19.0518 in (null):N-9999 (7) Number of specific fragments= 1 total=1688 # 1dih.153.153 read from T0147_twice.t2k.frag # found chain 1dih in template set T0147_twice 153 :VALEINNSS 1dih 154 :EIIEAHHRH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.16053 Ang OD1(44) at 36.4328 12.6407 33.317 in (null):N-9999 (6) and OD1(52) at 37.7928 12.5456 31.641 in (null):N-9999 (7) Number of specific fragments= 1 total=1689 # 1a53.153.154 read from T0147_twice.t2k.frag # found chain 1a53 in training set T0147_twice 153 :VALEINNSS 1a53 156 :PLIEINDEN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65705 Ang CG1(5) at 1.14772 -11.3629 42.8057 in (null):V-9999 (1) and CD2(19) at -0.994259 -10.3578 41.5967 in (null):L-9999 (3) Number of specific fragments= 1 total=1690 # 1h5wA.153.158 read from T0147_twice.t2k.frag # found chain 1h5wA in template set T0147_twice 153 :VALEIN 1h5wA 159 :VLIRAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 1 total=1691 # 1frb.154.154 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 154 :ALEINNSSF 1frb 155 :ALGVSNFNH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21382 Ang CG2(28) at 81.1037 2.36784 37.9293 in (null):I-9999 (4) and OG(51) at 82.387 4.00313 37.1676 in (null):S-9999 (7) neighbor-bump: 2.33763 Ang OD1(37) at 81.5196 -1.66883 32.9934 in (null):N-9999 (5) and ND2(44) at 80.257 -0.847 31.206 in (null):N-9999 (6) neighbor-bump: 2.75457 Ang CG2(28) at 81.1037 2.36784 37.9293 in (null):I-9999 (4) and N(32) at 80.575 -0.092 36.808 in (null):N-9999 (5) Number of specific fragments= 1 total=1692 # 1a53.154.155 read from T0147_twice.t2k.frag # found chain 1a53 in training set T0147_twice 154 :ALEINNSSF 1a53 157 :LIEINDEND Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1693 # 1ijgA.154.159 read from T0147_twice.t2k.frag # found chain 1ijgA in template set T0147_twice 154 :ALEINNSSF 1ijgA 160 :LIRANDNNQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3909 Ang CA(61) at -5.085 10.373 100.385 in (null):F-9999 (9) and CB(62) at -5.81053 11.3158 99.6643 in (null):F-9999 (9) Number of specific fragments= 1 total=1694 # 1fouA.154.159 read from T0147_twice.t2k.frag # found chain 1fouA in template set T0147_twice 154 :ALEINNSSF 1fouA 160 :LIRANDNNQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.19847 Ang CB(56) at -8.9721 10.3107 97.3564 in (null):S-9999 (8) and C(59) at -7.832 10.222 99.234 in (null):S-9999 (8) self-bump: 1.29065 Ang CA(55) at -8.895 9.531 98.382 in (null):S-9999 (8) and CB(56) at -8.9721 10.3107 97.3564 in (null):S-9999 (8) neighbor-bump: 2.16161 Ang O(38) at -14.155 3.896 96.697 in (null):N-9999 (5) and CG(43) at -13.9562 5.92451 95.9771 in (null):N-9999 (6) neighbor-bump: 2.83405 Ang C(39) at -14.477 3.888 97.878 in (null):N-9999 (5) and CG(43) at -13.9562 5.92451 95.9771 in (null):N-9999 (6) self-bump: 2.29836 Ang ND2(36) at -15.126 1.981 95.877 in (null):N-9999 (5) and O(38) at -14.155 3.896 96.697 in (null):N-9999 (5) Number of specific fragments= 1 total=1695 # 1dih.154.154 read from T0147_twice.t2k.frag # found chain 1dih in template set T0147_twice 154 :ALEINNSSF 1dih 155 :IIEAHHRHK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57972 Ang OD1(37) at 36.4328 12.6407 33.317 in (null):N-9999 (5) and CB(62) at 36.0395 15.1895 33.2524 in (null):F-9999 (9) neighbor-bump: 2.16053 Ang OD1(37) at 36.4328 12.6407 33.317 in (null):N-9999 (5) and OD1(45) at 37.7928 12.5456 31.641 in (null):N-9999 (6) Number of specific fragments= 1 total=1696 # 1arzC.154.154 read from T0147_twice.t2k.frag # found chain 1arzC in template set T0147_twice 154 :ALEINNSSF 1arzC 155 :IIEAHHRHK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.38285 Ang OD1(37) at 78.9389 33.3178 22.5472 in (null):N-9999 (5) and OD1(45) at 80.881 33.512 21.1803 in (null):N-9999 (6) self-bump: 2.76259 Ang OE1(20) at 72.654 31.988 23.567 in (null):E-9999 (3) and C(23) at 70.554 33.131 22.183 in (null):E-9999 (3) Number of specific fragments= 1 total=1697 # 1frb.155.155 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 155 :LEINNSSFL 1frb 156 :LGVSNFNHF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21382 Ang CG2(23) at 81.1037 2.36784 37.9293 in (null):I-9999 (3) and OG(46) at 82.387 4.00313 37.1676 in (null):S-9999 (6) neighbor-bump: 2.33763 Ang OD1(32) at 81.5196 -1.66883 32.9934 in (null):N-9999 (4) and ND2(39) at 80.257 -0.847 31.206 in (null):N-9999 (5) neighbor-bump: 2.75457 Ang CG2(23) at 81.1037 2.36784 37.9293 in (null):I-9999 (3) and N(27) at 80.575 -0.092 36.808 in (null):N-9999 (4) Number of specific fragments= 1 total=1698 # 1a53.155.156 read from T0147_twice.t2k.frag # found chain 1a53 in training set T0147_twice 155 :LEINNSSFL 1a53 158 :IEINDENDL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77757 Ang ND2(39) at -14.1672 -7.62189 35.1228 in (null):N-9999 (5) and CE1(61) at -12.6944 -9.32391 36.7503 in (null):F-9999 (8) other bump:2.81947 Ang ND2(39) at -14.1672 -7.62189 35.1228 in (null):N-9999 (5) and CD1(59) at -11.7244 -8.44685 36.2638 in (null):F-9999 (8) Number of specific fragments= 1 total=1699 # 1ijgA.155.160 read from T0147_twice.t2k.frag # found chain 1ijgA in template set T0147_twice 155 :LEINNSSFL 1ijgA 161 :IRANDNNQL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.2938 Ang CA(56) at -5.085 10.373 100.385 in (null):F-9999 (8) and CB(57) at -5.57417 11.4304 99.8225 in (null):F-9999 (8) Number of specific fragments= 1 total=1700 # 1fouA.155.160 read from T0147_twice.t2k.frag # found chain 1fouA in template set T0147_twice 155 :LEINNSSFL 1fouA 161 :IRANDNNQL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.0534 Ang CB(51) at -8.9721 10.3107 97.3564 in (null):S-9999 (7) and CD1(59) at -6.50929 12.112 97.4704 in (null):F-9999 (8) self-bump: 2.19847 Ang CB(51) at -8.9721 10.3107 97.3564 in (null):S-9999 (7) and C(54) at -7.832 10.222 99.234 in (null):S-9999 (7) self-bump: 1.29065 Ang CA(50) at -8.895 9.531 98.382 in (null):S-9999 (7) and CB(51) at -8.9721 10.3107 97.3564 in (null):S-9999 (7) neighbor-bump: 2.16161 Ang O(33) at -14.155 3.896 96.697 in (null):N-9999 (4) and CG(38) at -13.9562 5.92451 95.9771 in (null):N-9999 (5) neighbor-bump: 2.83405 Ang C(34) at -14.477 3.888 97.878 in (null):N-9999 (4) and CG(38) at -13.9562 5.92451 95.9771 in (null):N-9999 (5) self-bump: 2.29836 Ang ND2(31) at -15.126 1.981 95.877 in (null):N-9999 (4) and O(33) at -14.155 3.896 96.697 in (null):N-9999 (4) Number of specific fragments= 1 total=1701 # 1dih.155.155 read from T0147_twice.t2k.frag # found chain 1dih in template set T0147_twice 155 :LEINNSSFL 1dih 156 :IEAHHRHKV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57972 Ang OD1(32) at 36.4328 12.6407 33.317 in (null):N-9999 (4) and CB(57) at 36.0395 15.1895 33.2524 in (null):F-9999 (8) neighbor-bump: 2.16053 Ang OD1(32) at 36.4328 12.6407 33.317 in (null):N-9999 (4) and OD1(40) at 37.7928 12.5456 31.641 in (null):N-9999 (5) Number of specific fragments= 1 total=1702 # 2acr.155.155 read from T0147_twice.t2k.frag # adding 2acr to template set 2acr:# found chain 2acr in template set T0147_twice 155 :LEINNSSFL 2acr 156 :IGISNFNHL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1703 # 1ijgA.156.161 read from T0147_twice.t2k.frag # found chain 1ijgA in template set T0147_twice 156 :EINNSSFLH 1ijgA 162 :RANDNNQLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.2938 Ang CA(48) at -5.085 10.373 100.385 in (null):F-9999 (7) and CB(49) at -5.57417 11.4304 99.8225 in (null):F-9999 (7) Number of specific fragments= 1 total=1704 # 1frb.156.156 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 156 :EINNSSFLH 1frb 157 :GVSNFNHFQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21382 Ang CG2(15) at 81.1037 2.36784 37.9293 in (null):I-9999 (2) and OG(38) at 82.387 4.00313 37.1676 in (null):S-9999 (5) neighbor-bump: 2.33763 Ang OD1(24) at 81.5196 -1.66883 32.9934 in (null):N-9999 (3) and ND2(31) at 80.257 -0.847 31.206 in (null):N-9999 (4) neighbor-bump: 2.75457 Ang CG2(15) at 81.1037 2.36784 37.9293 in (null):I-9999 (2) and N(19) at 80.575 -0.092 36.808 in (null):N-9999 (3) neighbor-bump: 2.51274 Ang CG(5) at 82.293 -2.63506 40.3177 in (null):E-9999 (1) and N(11) at 81.001 -0.481 40.385 in (null):I-9999 (2) Number of specific fragments= 1 total=1705 # 1fouA.156.161 read from T0147_twice.t2k.frag # found chain 1fouA in template set T0147_twice 156 :EINNSSFLH 1fouA 162 :RANDNNQLS Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.05681 Ang CB(37) at -9.73901 5.89457 101.614 in (null):S-9999 (5) and NE2(73) at -8.01564 6.6781 102.418 in (null):H-9999 (9) other bump:2.90133 Ang CA(36) at -10.329 6.856 100.676 in (null):S-9999 (5) and NE2(73) at -8.01564 6.6781 102.418 in (null):H-9999 (9) other bump:2.9145 Ang C(40) at -9.273 7.711 100 in (null):S-9999 (5) and NE2(73) at -8.01564 6.6781 102.418 in (null):H-9999 (9) other bump:1.87027 Ang CB(37) at -9.73901 5.89457 101.614 in (null):S-9999 (5) and CD2(70) at -9.18422 6.84269 103.128 in (null):H-9999 (9) other bump:2.43131 Ang OG(38) at -10.7764 5.20145 102.301 in (null):S-9999 (5) and CD2(70) at -9.18422 6.84269 103.128 in (null):H-9999 (9) other bump:2.7057 Ang CA(36) at -10.329 6.856 100.676 in (null):S-9999 (5) and CD2(70) at -9.18422 6.84269 103.128 in (null):H-9999 (9) neighbor-bump: 3.0534 Ang CB(43) at -8.9721 10.3107 97.3564 in (null):S-9999 (6) and CD1(51) at -6.50929 12.112 97.4704 in (null):F-9999 (7) self-bump: 2.19847 Ang CB(43) at -8.9721 10.3107 97.3564 in (null):S-9999 (6) and C(46) at -7.832 10.222 99.234 in (null):S-9999 (6) self-bump: 1.29065 Ang CA(42) at -8.895 9.531 98.382 in (null):S-9999 (6) and CB(43) at -8.9721 10.3107 97.3564 in (null):S-9999 (6) neighbor-bump: 2.16161 Ang O(25) at -14.155 3.896 96.697 in (null):N-9999 (3) and CG(30) at -13.9562 5.92451 95.9771 in (null):N-9999 (4) neighbor-bump: 2.83405 Ang C(26) at -14.477 3.888 97.878 in (null):N-9999 (3) and CG(30) at -13.9562 5.92451 95.9771 in (null):N-9999 (4) self-bump: 2.29836 Ang ND2(23) at -15.126 1.981 95.877 in (null):N-9999 (3) and O(25) at -14.155 3.896 96.697 in (null):N-9999 (3) Number of specific fragments= 1 total=1706 # 1a53.156.157 read from T0147_twice.t2k.frag # found chain 1a53 in training set T0147_twice 156 :EINNSSFLH 1a53 159 :EINDENDLD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77757 Ang ND2(31) at -14.1672 -7.62189 35.1228 in (null):N-9999 (4) and CE1(53) at -12.6944 -9.32391 36.7503 in (null):F-9999 (7) other bump:2.81947 Ang ND2(31) at -14.1672 -7.62189 35.1228 in (null):N-9999 (4) and CD1(51) at -11.7244 -8.44685 36.2638 in (null):F-9999 (7) Number of specific fragments= 1 total=1707 # 1h5wA.156.161 read from T0147_twice.t2k.frag # found chain 1h5wA in template set T0147_twice 156 :EIN 1h5wA 162 :RAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 1 total=1708 # 1ah7.156.157 read from T0147_twice.t2k.frag # adding 1ah7 to template set 1ah7:Skipped atom 223, because occupancy 0.5 <= existing 0.500001 Skipped atom 225, because occupancy 0.5 <= existing 0.500001 Skipped atom 227, because occupancy 0.5 <= existing 0.500001 Skipped atom 462, because occupancy 0.5 <= existing 0.500001 Skipped atom 464, because occupancy 0.5 <= existing 0.500001 Skipped atom 466, because occupancy 0.5 <= existing 0.500001 Skipped atom 468, because occupancy 0.5 <= existing 0.500001 Skipped atom 470, because occupancy 0.5 <= existing 0.500001 Skipped atom 472, because occupancy 0.5 <= existing 0.500001 Skipped atom 474, because occupancy 0.5 <= existing 0.500001 Skipped atom 827, because occupancy 0.4 <= existing 0.600001 Skipped atom 1214, because occupancy 0 <= existing 0.800001 Skipped atom 1216, because occupancy 0 <= existing 0.800001 Skipped atom 1218, because occupancy 0 <= existing 0.800001 Skipped atom 1901, because occupancy 0.4 <= existing 0.600001 Skipped atom 1903, because occupancy 0.4 <= existing 0.600001 # found chain 1ah7 in template set T0147_twice 156 :EINNSSFLH 1ah7 158 :VTDGNGYWN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.93555 Ang OG(44) at 48.507 24.8141 29.2826 in (null):S-9999 (6) and CD2(63) at 47.781 24.761 31.076 in (null):L-9999 (8) other bump:2.07145 Ang OE1(7) at 56.8828 27.6337 24.3324 in (null):E-9999 (1) and ND2(23) at 57.1746 28.5628 26.1607 in (null):N-9999 (3) other bump:2.52346 Ang OE1(7) at 56.8828 27.6337 24.3324 in (null):E-9999 (1) and CG(22) at 56.8208 27.4792 26.8504 in (null):N-9999 (3) Number of specific fragments= 1 total=1709 # 1ijgA.157.162 read from T0147_twice.t2k.frag # found chain 1ijgA in template set T0147_twice 157 :INNSSFLHS 1ijgA 163 :ANDNNQLSL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05046 Ang CD1(7) at -13.2996 4.59417 106.108 in (null):I-9999 (1) and CB(69) at -11.4758 6.61365 107.486 in (null):S-9999 (9) self-bump: 1.2938 Ang CA(39) at -5.085 10.373 100.385 in (null):F-9999 (6) and CB(40) at -5.57417 11.4304 99.8225 in (null):F-9999 (6) Number of specific fragments= 1 total=1710 # 1fouA.157.162 read from T0147_twice.t2k.frag # found chain 1fouA in template set T0147_twice 157 :INNSSFLHS 1fouA 163 :ANDNNQLSL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.4208 Ang C(66) at -11.677 8.958 106.41 in (null):H-9999 (8) and O(71) at -11.582 7.819 108.544 in (null):S-9999 (9) other bump:2.05682 Ang CB(28) at -9.73901 5.89457 101.614 in (null):S-9999 (4) and NE2(64) at -8.01563 6.6781 102.418 in (null):H-9999 (8) other bump:2.90133 Ang CA(27) at -10.329 6.856 100.676 in (null):S-9999 (4) and NE2(64) at -8.01563 6.6781 102.418 in (null):H-9999 (8) other bump:2.91451 Ang C(31) at -9.273 7.711 100 in (null):S-9999 (4) and NE2(64) at -8.01563 6.6781 102.418 in (null):H-9999 (8) other bump:1.87027 Ang CB(28) at -9.73901 5.89457 101.614 in (null):S-9999 (4) and CD2(61) at -9.18422 6.84268 103.128 in (null):H-9999 (8) other bump:2.43131 Ang OG(29) at -10.7764 5.20145 102.301 in (null):S-9999 (4) and CD2(61) at -9.18422 6.84268 103.128 in (null):H-9999 (8) other bump:2.7057 Ang CA(27) at -10.329 6.856 100.676 in (null):S-9999 (4) and CD2(61) at -9.18422 6.84268 103.128 in (null):H-9999 (8) neighbor-bump: 3.0534 Ang CB(34) at -8.9721 10.3107 97.3564 in (null):S-9999 (5) and CD1(42) at -6.50929 12.112 97.4704 in (null):F-9999 (6) self-bump: 2.19847 Ang CB(34) at -8.9721 10.3107 97.3564 in (null):S-9999 (5) and C(37) at -7.832 10.222 99.234 in (null):S-9999 (5) self-bump: 1.29065 Ang CA(33) at -8.895 9.531 98.382 in (null):S-9999 (5) and CB(34) at -8.9721 10.3107 97.3564 in (null):S-9999 (5) neighbor-bump: 2.16161 Ang O(16) at -14.155 3.896 96.697 in (null):N-9999 (2) and CG(21) at -13.9562 5.92451 95.9771 in (null):N-9999 (3) neighbor-bump: 2.83405 Ang C(17) at -14.477 3.888 97.878 in (null):N-9999 (2) and CG(21) at -13.9562 5.92451 95.9771 in (null):N-9999 (3) self-bump: 2.29836 Ang ND2(14) at -15.126 1.981 95.877 in (null):N-9999 (2) and O(16) at -14.155 3.896 96.697 in (null):N-9999 (2) Number of specific fragments= 1 total=1711 # 1frb.157.157 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 157 :INNSSFLHS 1frb 158 :VSNFNHFQI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21383 Ang CG2(6) at 81.1037 2.36784 37.9293 in (null):I-9999 (1) and OG(29) at 82.387 4.00313 37.1676 in (null):S-9999 (4) neighbor-bump: 2.33762 Ang OD1(15) at 81.5196 -1.66883 32.9934 in (null):N-9999 (2) and ND2(22) at 80.257 -0.847 31.206 in (null):N-9999 (3) neighbor-bump: 2.75457 Ang CG2(6) at 81.1037 2.36784 37.9293 in (null):I-9999 (1) and N(10) at 80.575 -0.092 36.808 in (null):N-9999 (2) Number of specific fragments= 1 total=1712 # 1ah7.157.158 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 157 :INNSSFLHS 1ah7 159 :TDGNGYWNW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.93555 Ang OG(35) at 48.507 24.8141 29.2826 in (null):S-9999 (5) and CD2(54) at 47.781 24.761 31.076 in (null):L-9999 (7) Number of specific fragments= 1 total=1713 # 1afrA.157.157 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 157 :INNSSFLHS 1afrA 176 :GMDPRTENS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87323 Ang CB(28) at 60.284 33.792 3.88926 in (null):S-9999 (4) and CE2(45) at 62.83 35.0926 3.60384 in (null):F-9999 (6) other bump:2.36077 Ang OG(29) at 61.1277 33.691 2.76081 in (null):S-9999 (4) and CE2(45) at 62.83 35.0926 3.60384 in (null):F-9999 (6) other bump:3.04642 Ang CB(28) at 60.284 33.792 3.88926 in (null):S-9999 (4) and CD2(43) at 62.5489 35.0073 2.25409 in (null):F-9999 (6) other bump:2.00234 Ang OG(29) at 61.1277 33.691 2.76081 in (null):S-9999 (4) and CD2(43) at 62.5489 35.0073 2.25409 in (null):F-9999 (6) neighbor-bump: 3.11463 Ang CG2(6) at 57.6776 25.8696 3.27712 in (null):I-9999 (1) and CA(11) at 56.073 28.457 3.934 in (null):N-9999 (2) neighbor-bump: 1.94773 Ang CG2(6) at 57.6776 25.8696 3.27712 in (null):I-9999 (1) and N(10) at 56.158 27.061 3.532 in (null):N-9999 (2) self-bump: 2.36724 Ang CG2(6) at 57.6776 25.8696 3.27712 in (null):I-9999 (1) and C(9) at 55.514 26.114 4.206 in (null):I-9999 (1) self-bump: 1.28926 Ang CA(3) at 55.671 24.692 3.699 in (null):I-9999 (1) and CB(4) at 56.7798 24.6786 3.04134 in (null):I-9999 (1) Number of specific fragments= 1 total=1714 # 1h5wA.157.162 read from T0147_twice.t2k.frag # found chain 1h5wA in template set T0147_twice 157 :IN 1h5wA 163 :AN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0147_twice 165 :S 1h5wA 171 :L Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 2 total=1716 Number of alignments=76 # 1ijgA.158.163 read from T0147_twice.t2k.frag # found chain 1ijgA in template set T0147_twice 158 :NNSSFLHSR 1ijgA 164 :NDNNQLSLK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.2938 Ang CA(31) at -5.085 10.373 100.385 in (null):F-9999 (5) and CB(32) at -5.57417 11.4304 99.8225 in (null):F-9999 (5) Number of specific fragments= 1 total=1717 # 1fouA.158.163 read from T0147_twice.t2k.frag # found chain 1fouA in template set T0147_twice 158 :NNSSFLHSR 1fouA 164 :NDNNQLSLK Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.32668 Ang CB(61) at -14.6592 8.51052 108.186 in (null):S-9999 (8) and N(65) at -13.342 7.627 109.888 in (null):R-9999 (9) self-bump: 2.03259 Ang CB(61) at -14.6592 8.51052 108.186 in (null):S-9999 (8) and C(64) at -12.794 7.903 108.718 in (null):S-9999 (8) neighbor-bump: 2.4208 Ang C(58) at -11.677 8.958 106.41 in (null):H-9999 (7) and O(63) at -11.582 7.819 108.544 in (null):S-9999 (8) self-bump: 1.97654 Ang CA(60) at -13.7 8.309 107.566 in (null):S-9999 (8) and OG(62) at -15.2566 7.22778 108.127 in (null):S-9999 (8) self-bump: 1.15962 Ang CA(60) at -13.7 8.309 107.566 in (null):S-9999 (8) and CB(61) at -14.6592 8.51052 108.186 in (null):S-9999 (8) other bump:2.90133 Ang CA(19) at -10.329 6.856 100.676 in (null):S-9999 (3) and NE2(56) at -8.01563 6.6781 102.418 in (null):H-9999 (7) other bump:2.05682 Ang CB(20) at -9.73901 5.89457 101.614 in (null):S-9999 (3) and NE2(56) at -8.01563 6.6781 102.418 in (null):H-9999 (7) other bump:2.91451 Ang C(23) at -9.273 7.711 100 in (null):S-9999 (3) and NE2(56) at -8.01563 6.6781 102.418 in (null):H-9999 (7) other bump:2.43131 Ang OG(21) at -10.7764 5.20145 102.301 in (null):S-9999 (3) and CD2(53) at -9.18422 6.84268 103.128 in (null):H-9999 (7) other bump:2.7057 Ang CA(19) at -10.329 6.856 100.676 in (null):S-9999 (3) and CD2(53) at -9.18422 6.84268 103.128 in (null):H-9999 (7) other bump:1.87027 Ang CB(20) at -9.73901 5.89457 101.614 in (null):S-9999 (3) and CD2(53) at -9.18422 6.84268 103.128 in (null):H-9999 (7) neighbor-bump: 3.0534 Ang CB(26) at -8.9721 10.3107 97.3564 in (null):S-9999 (4) and CD1(34) at -6.50929 12.112 97.4704 in (null):F-9999 (5) self-bump: 2.19847 Ang CB(26) at -8.9721 10.3107 97.3564 in (null):S-9999 (4) and C(29) at -7.832 10.222 99.234 in (null):S-9999 (4) self-bump: 1.29065 Ang CA(25) at -8.895 9.531 98.382 in (null):S-9999 (4) and CB(26) at -8.9721 10.3107 97.3564 in (null):S-9999 (4) neighbor-bump: 2.16161 Ang O(8) at -14.155 3.896 96.697 in (null):N-9999 (1) and CG(13) at -13.9562 5.92451 95.9771 in (null):N-9999 (2) neighbor-bump: 2.83405 Ang C(9) at -14.477 3.888 97.878 in (null):N-9999 (1) and CG(13) at -13.9562 5.92451 95.9771 in (null):N-9999 (2) self-bump: 2.29836 Ang ND2(6) at -15.126 1.981 95.877 in (null):N-9999 (1) and O(8) at -14.155 3.896 96.697 in (null):N-9999 (1) Number of specific fragments= 1 total=1718 # 1ah7.158.159 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 158 :NNSSFLHSR 1ah7 160 :DGNGYWNWK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.3714 Ang CB(32) at 46.181 29.436 26.899 in (null):F-9999 (5) and OG(62) at 43.9905 29.9807 27.626 in (null):S-9999 (8) other bump:1.93555 Ang OG(27) at 48.507 24.8141 29.2826 in (null):S-9999 (4) and CD2(46) at 47.781 24.761 31.076 in (null):L-9999 (6) Number of specific fragments= 1 total=1719 # 1frb.158.158 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 158 :NNSSFLHSR 1frb 159 :SNFNHFQIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1720 # 1afrA.158.158 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 158 :NNSSFLHSR 1afrA 177 :MDPRTENSP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87323 Ang CB(20) at 60.284 33.792 3.88926 in (null):S-9999 (3) and CE2(37) at 62.83 35.0926 3.60384 in (null):F-9999 (5) other bump:2.36077 Ang OG(21) at 61.1277 33.691 2.76081 in (null):S-9999 (3) and CE2(37) at 62.83 35.0926 3.60384 in (null):F-9999 (5) other bump:3.04642 Ang CB(20) at 60.284 33.792 3.88926 in (null):S-9999 (3) and CD2(35) at 62.5489 35.0073 2.25409 in (null):F-9999 (5) other bump:2.00234 Ang OG(21) at 61.1277 33.691 2.76081 in (null):S-9999 (3) and CD2(35) at 62.5489 35.0073 2.25409 in (null):F-9999 (5) Number of specific fragments= 1 total=1721 # 1h5wA.158.163 read from T0147_twice.t2k.frag # found chain 1h5wA in template set T0147_twice 158 :N 1h5wA 164 :N Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0147_twice 165 :SR 1h5wA 171 :LK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 2 total=1723 Number of alignments=77 # 1ah7.159.160 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 159 :NSSFLHSRK 1ah7 161 :GNGYWNWKG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.47105 Ang CB(70) at 34.075 29.9218 29.9793 in (null):K-9999 (9) and N(77) at 34.529 27.756 31.079 in (null):G-9999 (10) other bump:2.3714 Ang CB(24) at 46.181 29.436 26.899 in (null):F-9999 (4) and OG(54) at 43.9905 29.9807 27.626 in (null):S-9999 (7) other bump:1.93555 Ang OG(19) at 48.507 24.8141 29.2826 in (null):S-9999 (3) and CD2(38) at 47.781 24.761 31.076 in (null):L-9999 (5) Number of specific fragments= 1 total=1724 # 1afrA.159.159 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 159 :NSSFLHSRK 1afrA 178 :DPRTENSPY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87323 Ang CB(12) at 60.284 33.792 3.88926 in (null):S-9999 (2) and CE2(29) at 62.83 35.0926 3.60384 in (null):F-9999 (4) other bump:2.36077 Ang OG(13) at 61.1277 33.691 2.76081 in (null):S-9999 (2) and CE2(29) at 62.83 35.0926 3.60384 in (null):F-9999 (4) other bump:3.04642 Ang CB(12) at 60.284 33.792 3.88926 in (null):S-9999 (2) and CD2(27) at 62.5489 35.0073 2.25409 in (null):F-9999 (4) other bump:2.00234 Ang OG(13) at 61.1277 33.691 2.76081 in (null):S-9999 (2) and CD2(27) at 62.5489 35.0073 2.25409 in (null):F-9999 (4) Number of specific fragments= 1 total=1725 # 1ijgA.159.164 read from T0147_twice.t2k.frag # found chain 1ijgA in template set T0147_twice 159 :NSSFLHSRK 1ijgA 165 :DNNQLSLKQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.29381 Ang CA(23) at -5.085 10.373 100.385 in (null):F-9999 (4) and CB(24) at -5.57419 11.4304 99.8225 in (null):F-9999 (4) Number of specific fragments= 1 total=1726 # 1fouA.159.164 read from T0147_twice.t2k.frag # found chain 1fouA in template set T0147_twice 159 :NSSFLHSRK 1fouA 165 :DNNQLSLKQ Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.32668 Ang CB(53) at -14.6592 8.51052 108.186 in (null):S-9999 (7) and N(57) at -13.342 7.627 109.888 in (null):R-9999 (8) self-bump: 2.03259 Ang CB(53) at -14.6592 8.51052 108.186 in (null):S-9999 (7) and C(56) at -12.794 7.903 108.718 in (null):S-9999 (7) neighbor-bump: 2.4208 Ang C(50) at -11.677 8.958 106.41 in (null):H-9999 (6) and O(55) at -11.582 7.819 108.544 in (null):S-9999 (7) self-bump: 1.97654 Ang CA(52) at -13.7 8.309 107.566 in (null):S-9999 (7) and OG(54) at -15.2566 7.22778 108.127 in (null):S-9999 (7) self-bump: 1.15962 Ang CA(52) at -13.7 8.309 107.566 in (null):S-9999 (7) and CB(53) at -14.6592 8.51052 108.186 in (null):S-9999 (7) other bump:2.90133 Ang CA(11) at -10.329 6.856 100.676 in (null):S-9999 (2) and NE2(48) at -8.01563 6.6781 102.418 in (null):H-9999 (6) other bump:2.05682 Ang CB(12) at -9.73901 5.89457 101.614 in (null):S-9999 (2) and NE2(48) at -8.01563 6.6781 102.418 in (null):H-9999 (6) other bump:2.91451 Ang C(15) at -9.273 7.711 100 in (null):S-9999 (2) and NE2(48) at -8.01563 6.6781 102.418 in (null):H-9999 (6) other bump:2.7057 Ang CA(11) at -10.329 6.856 100.676 in (null):S-9999 (2) and CD2(45) at -9.18422 6.84268 103.128 in (null):H-9999 (6) other bump:1.87027 Ang CB(12) at -9.73901 5.89457 101.614 in (null):S-9999 (2) and CD2(45) at -9.18422 6.84268 103.128 in (null):H-9999 (6) other bump:2.43131 Ang OG(13) at -10.7764 5.20145 102.301 in (null):S-9999 (2) and CD2(45) at -9.18422 6.84268 103.128 in (null):H-9999 (6) neighbor-bump: 3.0534 Ang CB(18) at -8.9721 10.3107 97.3564 in (null):S-9999 (3) and CD1(26) at -6.50929 12.112 97.4704 in (null):F-9999 (4) self-bump: 2.19847 Ang CB(18) at -8.9721 10.3107 97.3564 in (null):S-9999 (3) and C(21) at -7.832 10.222 99.234 in (null):S-9999 (3) self-bump: 1.29065 Ang CA(17) at -8.895 9.531 98.382 in (null):S-9999 (3) and CB(18) at -8.9721 10.3107 97.3564 in (null):S-9999 (3) neighbor-bump: 2.42635 Ang O(0) at -14.155 3.896 96.697 in (null):G-9999 (0) and CG(5) at -14.319 6.25869 96.1698 in (null):N-9999 (1) Number of specific fragments= 1 total=1727 # 1frb.159.159 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 159 :NSSFLHSRK 1frb 160 :NFNHFQIER Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1728 # 1j8hD.159.159 read from T0147_twice.t2k.frag # adding 1j8hD to template set 1j8hD:# found chain 1j8hD in template set T0147_twice 159 :NSSFLHSRK 1j8hD 162 :DKTVLDMRS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1729 # 1ah7.160.161 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 160 :SSFLHSRKG 1ah7 162 :NGYWNWKGT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.47105 Ang CB(62) at 34.075 29.9218 29.9793 in (null):K-9999 (8) and N(69) at 34.529 27.756 31.079 in (null):G-9999 (9) other bump:2.3714 Ang CB(16) at 46.181 29.436 26.899 in (null):F-9999 (3) and OG(46) at 43.9905 29.9807 27.626 in (null):S-9999 (6) other bump:1.93555 Ang OG(11) at 48.507 24.8141 29.2826 in (null):S-9999 (2) and CD2(30) at 47.781 24.761 31.076 in (null):L-9999 (4) Number of specific fragments= 1 total=1730 # 1afrA.160.160 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 160 :SSFLHSRKG 1afrA 179 :PRTENSPYL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92024 Ang CD1(18) at 63.7362 37.0454 1.89168 in (null):F-9999 (3) and CA(74) at 66.407 36.116 1.163 in (null):G-9999 (10) other bump:2.77969 Ang CD1(18) at 63.7362 37.0454 1.89168 in (null):F-9999 (3) and N(73) at 66.114 37.37 0.489 in (null):G-9999 (10) other bump:2.60332 Ang CD1(18) at 63.7362 37.0454 1.89168 in (null):F-9999 (3) and C(72) at 65.773 38.482 1.14 in (null):G-9999 (9) other bump:3.02877 Ang CE1(20) at 64.0709 37.0911 3.22364 in (null):F-9999 (3) and C(72) at 65.773 38.482 1.14 in (null):G-9999 (9) other bump:2.56191 Ang CD1(18) at 63.7362 37.0454 1.89168 in (null):F-9999 (3) and O(71) at 65.734 38.575 2.374 in (null):G-9999 (9) other bump:2.38535 Ang CE1(20) at 64.0709 37.0911 3.22364 in (null):F-9999 (3) and O(71) at 65.734 38.575 2.374 in (null):G-9999 (9) other bump:2.82235 Ang CB(4) at 60.348 33.7531 3.70713 in (null):S-9999 (1) and CE2(21) at 62.83 35.0926 3.60384 in (null):F-9999 (3) other bump:2.73735 Ang OG(5) at 61.0089 33.3626 2.51599 in (null):S-9999 (1) and CE2(21) at 62.83 35.0926 3.60384 in (null):F-9999 (3) other bump:2.92037 Ang CB(4) at 60.348 33.7531 3.70713 in (null):S-9999 (1) and CD2(19) at 62.5489 35.0073 2.25409 in (null):F-9999 (3) other bump:2.26836 Ang OG(5) at 61.0089 33.3626 2.51599 in (null):S-9999 (1) and CD2(19) at 62.5489 35.0073 2.25409 in (null):F-9999 (3) Number of specific fragments= 1 total=1731 # 1j8hD.160.160 read from T0147_twice.t2k.frag # found chain 1j8hD in template set T0147_twice 160 :SSFLHSRKG 1j8hD 163 :KTVLDMRSM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1732 # 1ijgA.160.165 read from T0147_twice.t2k.frag # found chain 1ijgA in template set T0147_twice 160 :SSFLHSRKG 1ijgA 166 :NNQLSLKQV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.2938 Ang CA(15) at -5.085 10.373 100.385 in (null):F-9999 (3) and CB(16) at -5.57417 11.4304 99.8225 in (null):F-9999 (3) Number of specific fragments= 1 total=1733 # 1aun.160.160 read from T0147_twice.t2k.frag # found chain 1aun in template set T0147_twice 160 :SSFLHSRKG 1aun 161 :GPCGPTELS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28759 Ang O(6) at 21.056 19.147 31.637 in (null):S-9999 (1) and CE1(20) at 20.3982 20.9503 30.3926 in (null):F-9999 (3) other bump:2.27384 Ang O(6) at 21.056 19.147 31.637 in (null):S-9999 (1) and CD1(18) at 19.712 19.8059 29.9253 in (null):F-9999 (3) neighbor-bump: 2.11499 Ang O(0) at 22.543 21.736 35.096 in (null):G-9999 (0) and CB(4) at 22.0769 19.6756 34.993 in (null):S-9999 (1) neighbor-bump: 2.58601 Ang C(1) at 22.647 21.944 33.89 in (null):G-9999 (0) and CB(4) at 22.0769 19.6756 34.993 in (null):S-9999 (1) Number of specific fragments= 1 total=1734 # 1kcmA.160.160 read from T0147_twice.t2k.frag # adding 1kcmA to template set 1kcmA:# found chain 1kcmA in template set T0147_twice 160 :SSFLHSRKG 1kcmA 162 :AKFKSVKTG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.11149 Ang ND1(38) at 42.8795 20.278 20.9101 in (null):H-9999 (5) and CA(74) at 44.42 18.931 23.254 in (null):G-9999 (10) Number of specific fragments= 1 total=1735 # 1ah7.161.162 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 161 :SFLHSRKGS 1ah7 163 :GYWNWKGTN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.1667 Ang NH1(50) at 35.5892 27.8378 24.9939 in (null):R-9999 (6) and O(71) at 33.867 27.556 26.278 in (null):S-9999 (9) neighbor-bump: 2.47105 Ang CB(56) at 34.075 29.9218 29.9793 in (null):K-9999 (7) and N(63) at 34.529 27.756 31.079 in (null):G-9999 (8) other bump:2.3714 Ang CB(10) at 46.181 29.436 26.899 in (null):F-9999 (2) and OG(40) at 43.9905 29.9807 27.626 in (null):S-9999 (5) Number of specific fragments= 1 total=1736 # 1afrA.161.161 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 161 :SFLHSRKGS 1afrA 180 :RTENSPYLG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92023 Ang CD1(12) at 63.7362 37.0454 1.89168 in (null):F-9999 (2) and CA(68) at 66.407 36.116 1.163 in (null):S-9999 (9) other bump:2.77969 Ang CD1(12) at 63.7362 37.0454 1.89168 in (null):F-9999 (2) and N(67) at 66.114 37.37 0.489 in (null):S-9999 (9) other bump:2.60333 Ang CD1(12) at 63.7362 37.0454 1.89168 in (null):F-9999 (2) and C(66) at 65.773 38.482 1.14 in (null):G-9999 (8) other bump:3.02877 Ang CE1(14) at 64.0709 37.091 3.22363 in (null):F-9999 (2) and C(66) at 65.773 38.482 1.14 in (null):G-9999 (8) other bump:2.56192 Ang CD1(12) at 63.7362 37.0454 1.89168 in (null):F-9999 (2) and O(65) at 65.734 38.575 2.374 in (null):G-9999 (8) other bump:2.38536 Ang CE1(14) at 64.0709 37.091 3.22363 in (null):F-9999 (2) and O(65) at 65.734 38.575 2.374 in (null):G-9999 (8) Number of specific fragments= 1 total=1737 # 1j8hD.161.161 read from T0147_twice.t2k.frag # found chain 1j8hD in template set T0147_twice 161 :SFLHSRKGS 1j8hD 164 :TVLDMRSMD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1738 # 1dih.161.161 read from T0147_twice.t2k.frag # found chain 1dih in template set T0147_twice 161 :SFLHSRKGS 1dih 162 :HKVDAPSGT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09719 Ang CE2(15) at 33.2442 16.4806 35.461 in (null):F-9999 (2) and C(36) at 33.614 19.362 36.535 in (null):H-9999 (4) other bump:1.99785 Ang CE2(15) at 33.2442 16.4806 35.461 in (null):F-9999 (2) and O(35) at 33.74 18.143 36.452 in (null):H-9999 (4) other bump:2.60506 Ang CD2(13) at 34.5019 16.1345 34.9784 in (null):F-9999 (2) and O(35) at 33.74 18.143 36.452 in (null):H-9999 (4) Number of specific fragments= 1 total=1739 # 1kcmA.161.161 read from T0147_twice.t2k.frag # found chain 1kcmA in template set T0147_twice 161 :SFLHSRKGS 1kcmA 163 :KFKSVKTGR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76541 Ang ND1(32) at 42.8795 20.278 20.9101 in (null):H-9999 (4) and C(72) at 44.521 18.273 21.876 in (null):S-9999 (9) other bump:2.1931 Ang ND1(32) at 42.8795 20.278 20.9101 in (null):H-9999 (4) and O(71) at 44.635 18.964 20.874 in (null):S-9999 (9) other bump:2.79182 Ang ND1(32) at 42.8795 20.278 20.9101 in (null):H-9999 (4) and CB(69) at 42.9163 19.1624 23.4691 in (null):S-9999 (9) other bump:3.11149 Ang ND1(32) at 42.8795 20.278 20.9101 in (null):H-9999 (4) and CA(68) at 44.42 18.931 23.254 in (null):S-9999 (9) Number of specific fragments= 1 total=1740 # 1aun.161.161 read from T0147_twice.t2k.frag # found chain 1aun in template set T0147_twice 161 :SFLHSRKGS 1aun 162 :PCGPTELSR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28759 Ang O(0) at 21.056 19.147 31.637 in (null):G-9999 (0) and CE1(14) at 20.3982 20.9503 30.3926 in (null):F-9999 (2) other bump:2.27384 Ang O(0) at 21.056 19.147 31.637 in (null):G-9999 (0) and CD1(12) at 19.712 19.8059 29.9253 in (null):F-9999 (2) Number of specific fragments= 1 total=1741 # 1ah7.162.163 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 162 :FLHSRKGSE 1ah7 164 :YWNWKGTNP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63187 Ang NH1(44) at 35.5892 27.8378 24.9939 in (null):R-9999 (5) and C(75) at 33.9 26.333 23.649 in (null):E-9999 (9) other bump:2.1667 Ang NH1(44) at 35.5892 27.8378 24.9939 in (null):R-9999 (5) and O(65) at 33.867 27.556 26.278 in (null):S-9999 (8) neighbor-bump: 2.47105 Ang CB(50) at 34.075 29.9218 29.9793 in (null):K-9999 (6) and N(57) at 34.529 27.756 31.079 in (null):G-9999 (7) other bump:2.3714 Ang CB(4) at 46.181 29.436 26.899 in (null):F-9999 (1) and OG(34) at 43.9905 29.9807 27.626 in (null):S-9999 (4) Number of specific fragments= 1 total=1742 # 1afrA.162.162 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 162 :FLHSRKGSE 1afrA 181 :TENSPYLGF Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92023 Ang CD1(6) at 63.7362 37.0454 1.89168 in (null):F-9999 (1) and CA(62) at 66.407 36.116 1.163 in (null):S-9999 (8) other bump:2.77969 Ang CD1(6) at 63.7362 37.0454 1.89168 in (null):F-9999 (1) and N(61) at 66.114 37.37 0.489 in (null):S-9999 (8) other bump:2.60332 Ang CD1(6) at 63.7362 37.0454 1.89168 in (null):F-9999 (1) and C(60) at 65.773 38.482 1.14 in (null):G-9999 (7) other bump:3.02877 Ang CE1(8) at 64.0709 37.0911 3.22363 in (null):F-9999 (1) and C(60) at 65.773 38.482 1.14 in (null):G-9999 (7) other bump:2.56191 Ang CD1(6) at 63.7362 37.0454 1.89168 in (null):F-9999 (1) and O(59) at 65.734 38.575 2.374 in (null):G-9999 (7) other bump:2.38536 Ang CE1(8) at 64.0709 37.0911 3.22363 in (null):F-9999 (1) and O(59) at 65.734 38.575 2.374 in (null):G-9999 (7) Number of specific fragments= 1 total=1743 # 1j8hD.162.162 read from T0147_twice.t2k.frag # found chain 1j8hD in template set T0147_twice 162 :FLHSRKGSE 1j8hD 165 :VLDMRSMDF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1744 # 1kcmA.162.162 read from T0147_twice.t2k.frag # found chain 1kcmA in template set T0147_twice 162 :FLHSRKGSE 1kcmA 164 :FKSVKTGRG Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.19121 Ang CB(69) at 44.2691 17.4356 19.4752 in (null):E-9999 (9) and CA(77) at 45.229 14.611 18.342 in (null):G-9999 (10) neighbor-bump: 2.48012 Ang CG(70) at 44.543 16.9769 18.0544 in (null):E-9999 (9) and CA(77) at 45.229 14.611 18.342 in (null):G-9999 (10) other bump:2.47902 Ang CD1(17) at 47.9681 18.7716 20.3016 in (null):L-9999 (2) and O(74) at 46.9 16.594 20.814 in (null):E-9999 (9) other bump:1.64474 Ang CB(4) at 42.741 18.487 14.886 in (null):F-9999 (1) and OE2(73) at 43.1945 17.9597 16.3765 in (null):E-9999 (9) other bump:2.13216 Ang CG(5) at 42.637 19.844 15.549 in (null):F-9999 (1) and OE2(73) at 43.1945 17.9597 16.3765 in (null):E-9999 (9) other bump:2.35613 Ang CD2(7) at 42.055 19.978 16.8 in (null):F-9999 (1) and OE2(73) at 43.1945 17.9597 16.3765 in (null):E-9999 (9) other bump:1.74182 Ang CA(3) at 44.157 17.879 14.927 in (null):F-9999 (1) and OE2(73) at 43.1945 17.9597 16.3765 in (null):E-9999 (9) other bump:1.61069 Ang O(11) at 44.348 17.211 17.215 in (null):F-9999 (1) and OE2(73) at 43.1945 17.9597 16.3765 in (null):E-9999 (9) other bump:1.52139 Ang C(12) at 44.715 17.994 16.339 in (null):F-9999 (1) and OE2(73) at 43.1945 17.9597 16.3765 in (null):E-9999 (9) other bump:2.44328 Ang CA(3) at 44.157 17.879 14.927 in (null):F-9999 (1) and OE1(72) at 45.0742 18.9804 16.9057 in (null):E-9999 (9) other bump:1.9375 Ang O(11) at 44.348 17.211 17.215 in (null):F-9999 (1) and OE1(72) at 45.0742 18.9804 16.9057 in (null):E-9999 (9) other bump:1.19298 Ang C(12) at 44.715 17.994 16.339 in (null):F-9999 (1) and OE1(72) at 45.0742 18.9804 16.9057 in (null):E-9999 (9) other bump:0.645628 Ang N(13) at 45.606 18.963 16.54 in (null):L-9999 (2) and OE1(72) at 45.0742 18.9804 16.9057 in (null):E-9999 (9) other bump:1.45926 Ang CA(14) at 46.121 19.32 17.864 in (null):L-9999 (2) and OE1(72) at 45.0742 18.9804 16.9057 in (null):E-9999 (9) other bump:2.30862 Ang C(20) at 45.883 20.812 18.055 in (null):L-9999 (2) and OE1(72) at 45.0742 18.9804 16.9057 in (null):E-9999 (9) other bump:2.72875 Ang CB(15) at 47.6432 19.0372 17.824 in (null):L-9999 (2) and OE1(72) at 45.0742 18.9804 16.9057 in (null):E-9999 (9) other bump:2.66515 Ang CB(4) at 42.741 18.487 14.886 in (null):F-9999 (1) and CD(71) at 44.2535 18.0473 17.0359 in (null):E-9999 (9) other bump:2.8376 Ang CG(5) at 42.637 19.844 15.549 in (null):F-9999 (1) and CD(71) at 44.2535 18.0473 17.0359 in (null):E-9999 (9) other bump:2.9354 Ang CD2(7) at 42.055 19.978 16.8 in (null):F-9999 (1) and CD(71) at 44.2535 18.0473 17.0359 in (null):E-9999 (9) other bump:2.11781 Ang CA(3) at 44.157 17.879 14.927 in (null):F-9999 (1) and CD(71) at 44.2535 18.0473 17.0359 in (null):E-9999 (9) other bump:0.860481 Ang O(11) at 44.348 17.211 17.215 in (null):F-9999 (1) and CD(71) at 44.2535 18.0473 17.0359 in (null):E-9999 (9) other bump:0.837559 Ang C(12) at 44.715 17.994 16.339 in (null):F-9999 (1) and CD(71) at 44.2535 18.0473 17.0359 in (null):E-9999 (9) other bump:1.70695 Ang N(13) at 45.606 18.963 16.54 in (null):L-9999 (2) and CD(71) at 44.2535 18.0473 17.0359 in (null):E-9999 (9) other bump:2.40688 Ang CA(14) at 46.121 19.32 17.864 in (null):L-9999 (2) and CD(71) at 44.2535 18.0473 17.0359 in (null):E-9999 (9) other bump:0.89298 Ang O(11) at 44.348 17.211 17.215 in (null):F-9999 (1) and CG(70) at 44.543 16.9769 18.0544 in (null):E-9999 (9) other bump:2.00164 Ang C(12) at 44.715 17.994 16.339 in (null):F-9999 (1) and CG(70) at 44.543 16.9769 18.0544 in (null):E-9999 (9) other bump:2.71436 Ang N(13) at 45.606 18.963 16.54 in (null):L-9999 (2) and CG(70) at 44.543 16.9769 18.0544 in (null):E-9999 (9) other bump:2.83128 Ang CA(14) at 46.121 19.32 17.864 in (null):L-9999 (2) and CG(70) at 44.543 16.9769 18.0544 in (null):E-9999 (9) other bump:2.27266 Ang O(11) at 44.348 17.211 17.215 in (null):F-9999 (1) and CB(69) at 44.2691 17.4356 19.4752 in (null):E-9999 (9) other bump:3.21652 Ang C(12) at 44.715 17.994 16.339 in (null):F-9999 (1) and CB(69) at 44.2691 17.4356 19.4752 in (null):E-9999 (9) neighbor-bump: 2.55513 Ang C(66) at 44.521 18.273 21.876 in (null):S-9999 (8) and CB(69) at 44.2691 17.4356 19.4752 in (null):E-9999 (9) other bump:3.09452 Ang CA(14) at 46.121 19.32 17.864 in (null):L-9999 (2) and CB(69) at 44.2691 17.4356 19.4752 in (null):E-9999 (9) neighbor-bump: 2.10394 Ang O(65) at 44.635 18.964 20.874 in (null):S-9999 (8) and CB(69) at 44.2691 17.4356 19.4752 in (null):E-9999 (9) other bump:2.76541 Ang ND1(26) at 42.8795 20.278 20.9101 in (null):H-9999 (3) and C(66) at 44.521 18.273 21.876 in (null):S-9999 (8) other bump:2.1931 Ang ND1(26) at 42.8795 20.278 20.9101 in (null):H-9999 (3) and O(65) at 44.635 18.964 20.874 in (null):S-9999 (8) other bump:2.78554 Ang ND1(26) at 42.8795 20.278 20.9101 in (null):H-9999 (3) and CB(63) at 42.9119 19.2163 23.4852 in (null):S-9999 (8) other bump:3.11149 Ang ND1(26) at 42.8795 20.278 20.9101 in (null):H-9999 (3) and CA(62) at 44.42 18.931 23.254 in (null):S-9999 (8) Number of specific fragments= 1 total=1745 # 1dih.162.162 read from T0147_twice.t2k.frag # found chain 1dih in template set T0147_twice 162 :FLHSRKGSE 1dih 163 :KVDAPSGTA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37623 Ang NH1(44) at 27.6331 14.9166 43.3208 in (null):R-9999 (5) and C(75) at 26.377 14.124 41.466 in (null):E-9999 (9) other bump:2.23592 Ang NH1(44) at 27.6331 14.9166 43.3208 in (null):R-9999 (5) and O(74) at 25.789 13.976 42.476 in (null):E-9999 (9) other bump:2.91339 Ang CE1(8) at 33.2804 16.7379 35.314 in (null):F-9999 (1) and C(30) at 33.614 19.362 36.535 in (null):H-9999 (3) other bump:2.47705 Ang CD1(6) at 34.5506 16.409 34.8798 in (null):F-9999 (1) and O(29) at 33.74 18.143 36.452 in (null):H-9999 (3) other bump:1.86559 Ang CE1(8) at 33.2804 16.7379 35.314 in (null):F-9999 (1) and O(29) at 33.74 18.143 36.452 in (null):H-9999 (3) Number of specific fragments= 1 total=1746 # 1i7gA.162.162 read from T0147_twice.t2k.frag # adding 1i7gA to template set 1i7gA:# found chain 1i7gA in template set T0147_twice 162 :FLHSRKGSE 1i7gA 344 :LKSLRKPFC Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19984 Ang CB(50) at 52.21 43.158 38.41 in (null):K-9999 (6) and OE2(73) at 50.4303 44.0606 37.4842 in (null):E-9999 (9) other bump:2.70454 Ang CG(51) at 52.543 42.402 37.168 in (null):K-9999 (6) and OE2(73) at 50.4303 44.0606 37.4842 in (null):E-9999 (9) other bump:2.31547 Ang CA(49) at 51.022 42.611 39.19 in (null):K-9999 (6) and OE2(73) at 50.4303 44.0606 37.4842 in (null):E-9999 (9) other bump:1.86797 Ang O(46) at 48.622 42.573 40.595 in (null):R-9999 (5) and OE1(72) at 48.8731 43.3634 38.9212 in (null):E-9999 (9) other bump:1.91744 Ang C(47) at 49.401 43.519 40.758 in (null):R-9999 (5) and OE1(72) at 48.8731 43.3634 38.9212 in (null):E-9999 (9) other bump:2.2926 Ang CA(49) at 51.022 42.611 39.19 in (null):K-9999 (6) and OE1(72) at 48.8731 43.3634 38.9212 in (null):E-9999 (9) other bump:2.07182 Ang N(48) at 50.55 43.632 40.108 in (null):K-9999 (6) and OE1(72) at 48.8731 43.3634 38.9212 in (null):E-9999 (9) other bump:2.98703 Ang C(47) at 49.401 43.519 40.758 in (null):R-9999 (5) and CD(71) at 49.2548 43.7558 37.784 in (null):E-9999 (9) other bump:3.07935 Ang CB(50) at 52.21 43.158 38.41 in (null):K-9999 (6) and CD(71) at 49.2548 43.7558 37.784 in (null):E-9999 (9) other bump:2.53188 Ang CA(49) at 51.022 42.611 39.19 in (null):K-9999 (6) and CD(71) at 49.2548 43.7558 37.784 in (null):E-9999 (9) other bump:2.66346 Ang N(48) at 50.55 43.632 40.108 in (null):K-9999 (6) and CD(71) at 49.2548 43.7558 37.784 in (null):E-9999 (9) Number of specific fragments= 1 total=1747 # 1ah7.163.164 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 163 :LHSRKGSED 1ah7 165 :WNWKGTNPE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63187 Ang NH1(33) at 35.5892 27.8378 24.9939 in (null):R-9999 (4) and C(64) at 33.9 26.333 23.649 in (null):E-9999 (8) other bump:2.1667 Ang NH1(33) at 35.5892 27.8378 24.9939 in (null):R-9999 (4) and O(54) at 33.867 27.556 26.278 in (null):S-9999 (7) neighbor-bump: 2.47105 Ang CB(39) at 34.075 29.9218 29.9793 in (null):K-9999 (5) and N(46) at 34.529 27.756 31.079 in (null):G-9999 (6) Number of specific fragments= 1 total=1748 # 1afrA.163.163 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 163 :LHSRKGSED 1afrA 182 :ENSPYLGFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1749 # 1j8hD.163.163 read from T0147_twice.t2k.frag # found chain 1j8hD in template set T0147_twice 163 :LHSRKGSED 1j8hD 166 :LDMRSMDFK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.09602 Ang ND1(15) at 112.36 17.1116 36.0702 in (null):H-9999 (2) and OD1(69) at 110.916 16.1516 37.2466 in (null):D-9999 (9) Number of specific fragments= 1 total=1750 # 1dih.163.163 read from T0147_twice.t2k.frag # found chain 1dih in template set T0147_twice 163 :LHSRKGSED 1dih 164 :VDAPSGTAL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37623 Ang NH1(33) at 27.6332 14.9166 43.3208 in (null):R-9999 (4) and C(64) at 26.377 14.124 41.466 in (null):E-9999 (8) other bump:2.23592 Ang NH1(33) at 27.6332 14.9166 43.3208 in (null):R-9999 (4) and O(63) at 25.789 13.976 42.476 in (null):E-9999 (8) Number of specific fragments= 1 total=1751 # 1kcmA.163.163 read from T0147_twice.t2k.frag # found chain 1kcmA in template set T0147_twice 163 :LHSRKGSED 1kcmA 165 :KSVKTGRGP Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.08776 Ang CB(58) at 44.0328 17.2323 19.452 in (null):E-9999 (8) and CA(66) at 45.229 14.611 18.342 in (null):D-9999 (9) other bump:2.65551 Ang CD2(7) at 47.3688 18.3057 20.4306 in (null):L-9999 (1) and C(64) at 46.027 16.028 20.179 in (null):E-9999 (8) other bump:1.81572 Ang CD2(7) at 47.3688 18.3057 20.4306 in (null):L-9999 (1) and O(63) at 46.9 16.594 20.814 in (null):E-9999 (8) other bump:2.21619 Ang O(0) at 44.348 17.211 17.215 in (null):G-9999 (0) and OE2(62) at 42.7371 18.7058 17.5014 in (null):E-9999 (8) other bump:2.40207 Ang C(1) at 44.715 17.994 16.339 in (null):G-9999 (0) and OE2(62) at 42.7371 18.7058 17.5014 in (null):E-9999 (8) other bump:2.1975 Ang CE1(16) at 41.715 19.6858 20.7011 in (null):H-9999 (2) and OE1(61) at 40.9564 19.057 18.7369 in (null):E-9999 (8) other bump:2.16101 Ang NE2(17) at 40.8655 20.5945 20.2529 in (null):H-9999 (2) and OE1(61) at 40.9564 19.057 18.7369 in (null):E-9999 (8) other bump:2.2592 Ang O(0) at 44.348 17.211 17.215 in (null):G-9999 (0) and CB(58) at 44.0328 17.2323 19.452 in (null):E-9999 (8) neighbor-bump: 2.68273 Ang C(55) at 44.521 18.273 21.876 in (null):S-9999 (7) and CB(58) at 44.0328 17.2323 19.452 in (null):E-9999 (8) other bump:2.76541 Ang ND1(15) at 42.8795 20.278 20.9101 in (null):H-9999 (2) and C(55) at 44.521 18.273 21.876 in (null):S-9999 (7) other bump:3.19378 Ang CD2(7) at 47.3688 18.3057 20.4306 in (null):L-9999 (1) and C(55) at 44.521 18.273 21.876 in (null):S-9999 (7) other bump:2.1931 Ang ND1(15) at 42.8795 20.278 20.9101 in (null):H-9999 (2) and O(54) at 44.635 18.964 20.874 in (null):S-9999 (7) other bump:2.78554 Ang ND1(15) at 42.8795 20.278 20.9101 in (null):H-9999 (2) and CB(52) at 42.9119 19.2163 23.4852 in (null):S-9999 (7) other bump:3.11149 Ang ND1(15) at 42.8795 20.278 20.9101 in (null):H-9999 (2) and CA(51) at 44.42 18.931 23.254 in (null):S-9999 (7) Number of specific fragments= 1 total=1752 # 1i7gA.163.163 read from T0147_twice.t2k.frag # found chain 1i7gA in template set T0147_twice 163 :LHSRKGSED 1i7gA 345 :KSLRKPFCD Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19983 Ang CB(39) at 52.21 43.158 38.41 in (null):K-9999 (5) and OE2(62) at 50.4303 44.0606 37.4841 in (null):E-9999 (8) other bump:2.70453 Ang CG(40) at 52.543 42.402 37.168 in (null):K-9999 (5) and OE2(62) at 50.4303 44.0606 37.4841 in (null):E-9999 (8) other bump:2.31547 Ang CA(38) at 51.022 42.611 39.19 in (null):K-9999 (5) and OE2(62) at 50.4303 44.0606 37.4841 in (null):E-9999 (8) other bump:1.86798 Ang O(35) at 48.622 42.573 40.595 in (null):R-9999 (4) and OE1(61) at 48.8731 43.3634 38.9212 in (null):E-9999 (8) other bump:1.91744 Ang C(36) at 49.401 43.519 40.758 in (null):R-9999 (4) and OE1(61) at 48.8731 43.3634 38.9212 in (null):E-9999 (8) other bump:2.07182 Ang N(37) at 50.55 43.632 40.108 in (null):K-9999 (5) and OE1(61) at 48.8731 43.3634 38.9212 in (null):E-9999 (8) other bump:2.29259 Ang CA(38) at 51.022 42.611 39.19 in (null):K-9999 (5) and OE1(61) at 48.8731 43.3634 38.9212 in (null):E-9999 (8) other bump:2.98703 Ang C(36) at 49.401 43.519 40.758 in (null):R-9999 (4) and CD(60) at 49.2548 43.7558 37.784 in (null):E-9999 (8) other bump:3.07935 Ang CB(39) at 52.21 43.158 38.41 in (null):K-9999 (5) and CD(60) at 49.2548 43.7558 37.784 in (null):E-9999 (8) other bump:2.66346 Ang N(37) at 50.55 43.632 40.108 in (null):K-9999 (5) and CD(60) at 49.2548 43.7558 37.784 in (null):E-9999 (8) other bump:2.53188 Ang CA(38) at 51.022 42.611 39.19 in (null):K-9999 (5) and CD(60) at 49.2548 43.7558 37.784 in (null):E-9999 (8) Number of specific fragments= 1 total=1753 # 1ah7.164.165 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 164 :HSRKGSEDN 1ah7 166 :NWKGTNPEE Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.35884 Ang NE(23) at 37.7294 28.7531 24.801 in (null):R-9999 (3) and CA(74) at 37.529 29.062 23.493 in (null):G-9999 (10) other bump:1.95344 Ang CZ(24) at 36.8882 27.7376 24.778 in (null):R-9999 (3) and CA(74) at 37.529 29.062 23.493 in (null):G-9999 (10) other bump:2.73203 Ang NH2(26) at 37.3887 26.5408 24.5361 in (null):R-9999 (3) and CA(74) at 37.529 29.062 23.493 in (null):G-9999 (10) other bump:3.2209 Ang CG(21) at 38.2689 30.8247 26.0852 in (null):R-9999 (3) and CA(74) at 37.529 29.062 23.493 in (null):G-9999 (10) other bump:1.88482 Ang CD(22) at 37.4519 30.1616 25.0219 in (null):R-9999 (3) and CA(74) at 37.529 29.062 23.493 in (null):G-9999 (10) other bump:1.87625 Ang NH1(25) at 35.5892 27.8378 24.9939 in (null):R-9999 (3) and N(73) at 36.161 29.289 23.951 in (null):G-9999 (10) other bump:1.86266 Ang NE(23) at 37.7294 28.7531 24.801 in (null):R-9999 (3) and N(73) at 36.161 29.289 23.951 in (null):G-9999 (10) other bump:1.90253 Ang CZ(24) at 36.8882 27.7376 24.778 in (null):R-9999 (3) and N(73) at 36.161 29.289 23.951 in (null):G-9999 (10) other bump:1.89065 Ang CD(22) at 37.4519 30.1616 25.0219 in (null):R-9999 (3) and N(73) at 36.161 29.289 23.951 in (null):G-9999 (10) other bump:2.8735 Ang NH1(25) at 35.5892 27.8378 24.9939 in (null):R-9999 (3) and C(72) at 35.613 30.492 23.893 in (null):N-9999 (9) other bump:2.8857 Ang NE(23) at 37.7294 28.7531 24.801 in (null):R-9999 (3) and C(72) at 35.613 30.492 23.893 in (null):N-9999 (9) other bump:3.16167 Ang CZ(24) at 36.8882 27.7376 24.778 in (null):R-9999 (3) and C(72) at 35.613 30.492 23.893 in (null):N-9999 (9) other bump:2.18289 Ang CD(22) at 37.4519 30.1616 25.0219 in (null):R-9999 (3) and C(72) at 35.613 30.492 23.893 in (null):N-9999 (9) other bump:2.34095 Ang CD(22) at 37.4519 30.1616 25.0219 in (null):R-9999 (3) and O(71) at 36.264 31.461 23.479 in (null):N-9999 (9) other bump:2.47994 Ang NZ(35) at 30.1432 32.3175 28.2437 in (null):K-9999 (4) and ND2(69) at 32.3196 31.454 27.4266 in (null):N-9999 (9) other bump:1.74354 Ang CD(33) at 32.1323 31.2375 29.1464 in (null):K-9999 (4) and ND2(69) at 32.3196 31.454 27.4266 in (null):N-9999 (9) other bump:2.1438 Ang CE(34) at 31.4326 32.6165 28.9942 in (null):K-9999 (4) and ND2(69) at 32.3196 31.454 27.4266 in (null):N-9999 (9) other bump:3.06565 Ang CD(33) at 32.1323 31.2375 29.1464 in (null):K-9999 (4) and CG(68) at 32.7024 31.5694 26.1526 in (null):N-9999 (9) other bump:2.63186 Ang NH1(25) at 35.5892 27.8378 24.9939 in (null):R-9999 (3) and C(56) at 33.9 26.333 23.649 in (null):E-9999 (7) other bump:2.1667 Ang NH1(25) at 35.5892 27.8378 24.9939 in (null):R-9999 (3) and O(46) at 33.867 27.556 26.278 in (null):S-9999 (6) neighbor-bump: 2.47105 Ang CB(31) at 34.075 29.9218 29.9793 in (null):K-9999 (4) and N(38) at 34.529 27.756 31.079 in (null):G-9999 (5) Number of specific fragments= 1 total=1754 # 1afrA.164.164 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 164 :HSRKGSEDN 1afrA 183 :NSPYLGFIY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1755 # 1j8hD.164.164 read from T0147_twice.t2k.frag # found chain 1j8hD in template set T0147_twice 164 :HSRKGSEDN 1j8hD 167 :DMRSMDFKS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.09602 Ang ND1(7) at 112.36 17.1116 36.0702 in (null):H-9999 (1) and OD1(61) at 110.916 16.1516 37.2466 in (null):D-9999 (8) Number of specific fragments= 1 total=1756 # 1dih.164.164 read from T0147_twice.t2k.frag # found chain 1dih in template set T0147_twice 164 :HSRKGSEDN 1dih 165 :DAPSGTALA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37623 Ang NH1(25) at 27.6332 14.9166 43.3208 in (null):R-9999 (3) and C(56) at 26.377 14.124 41.466 in (null):E-9999 (7) other bump:2.23592 Ang NH1(25) at 27.6332 14.9166 43.3208 in (null):R-9999 (3) and O(55) at 25.789 13.976 42.476 in (null):E-9999 (7) Number of specific fragments= 1 total=1757 # 1kcmA.164.164 read from T0147_twice.t2k.frag # found chain 1kcmA in template set T0147_twice 164 :HSRKGSEDN 1kcmA 166 :SVKTGRGPL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.1882 Ang OD1(61) at 44.2225 12.3926 16.7203 in (null):D-9999 (8) and N(65) at 43.439 13.016 18.666 in (null):N-9999 (9) neighbor-bump: 3.08776 Ang CB(50) at 44.0328 17.2323 19.452 in (null):E-9999 (7) and CA(58) at 45.229 14.611 18.342 in (null):D-9999 (8) other bump:1.93009 Ang NE2(9) at 40.8278 20.9672 18.9816 in (null):H-9999 (1) and OE1(53) at 40.9564 19.057 18.7369 in (null):E-9999 (7) other bump:1.5282 Ang CE1(8) at 41.3175 20.0602 19.8317 in (null):H-9999 (1) and OE1(53) at 40.9564 19.057 18.7369 in (null):E-9999 (7) other bump:2.84723 Ang ND1(7) at 42.4179 20.5057 20.4676 in (null):H-9999 (1) and CD(52) at 42.0377 18.4732 18.5103 in (null):E-9999 (7) other bump:2.18713 Ang CE1(8) at 41.3175 20.0602 19.8317 in (null):H-9999 (1) and CD(52) at 42.0377 18.4732 18.5103 in (null):E-9999 (7) neighbor-bump: 2.68273 Ang C(47) at 44.521 18.273 21.876 in (null):S-9999 (6) and CB(50) at 44.0328 17.2323 19.452 in (null):E-9999 (7) Number of specific fragments= 1 total=1758 # 1i7gA.164.164 read from T0147_twice.t2k.frag # found chain 1i7gA in template set T0147_twice 164 :HSRKGSEDN 1i7gA 346 :SLRKPFCDI Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70453 Ang CG(32) at 52.543 42.402 37.168 in (null):K-9999 (4) and OE2(54) at 50.4303 44.0606 37.4841 in (null):E-9999 (7) other bump:2.31547 Ang CA(30) at 51.022 42.611 39.19 in (null):K-9999 (4) and OE2(54) at 50.4303 44.0606 37.4841 in (null):E-9999 (7) other bump:2.19983 Ang CB(31) at 52.21 43.158 38.41 in (null):K-9999 (4) and OE2(54) at 50.4303 44.0606 37.4841 in (null):E-9999 (7) other bump:1.86798 Ang O(27) at 48.622 42.573 40.595 in (null):R-9999 (3) and OE1(53) at 48.8731 43.3634 38.9212 in (null):E-9999 (7) other bump:1.91744 Ang C(28) at 49.401 43.519 40.758 in (null):R-9999 (3) and OE1(53) at 48.8731 43.3634 38.9212 in (null):E-9999 (7) other bump:2.07182 Ang N(29) at 50.55 43.632 40.108 in (null):K-9999 (4) and OE1(53) at 48.8731 43.3634 38.9212 in (null):E-9999 (7) other bump:2.29259 Ang CA(30) at 51.022 42.611 39.19 in (null):K-9999 (4) and OE1(53) at 48.8731 43.3634 38.9212 in (null):E-9999 (7) other bump:2.98703 Ang C(28) at 49.401 43.519 40.758 in (null):R-9999 (3) and CD(52) at 49.2548 43.7558 37.784 in (null):E-9999 (7) other bump:2.66346 Ang N(29) at 50.55 43.632 40.108 in (null):K-9999 (4) and CD(52) at 49.2548 43.7558 37.784 in (null):E-9999 (7) other bump:2.53188 Ang CA(30) at 51.022 42.611 39.19 in (null):K-9999 (4) and CD(52) at 49.2548 43.7558 37.784 in (null):E-9999 (7) other bump:3.07935 Ang CB(31) at 52.21 43.158 38.41 in (null):K-9999 (4) and CD(52) at 49.2548 43.7558 37.784 in (null):E-9999 (7) Number of specific fragments= 1 total=1759 # 1ah7.165.166 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 165 :SRKGSEDNC 1ah7 167 :WKGTNPEEW Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84843 Ang NE(13) at 37.7294 28.7531 24.801 in (null):R-9999 (2) and C(68) at 37.657 29.155 21.982 in (null):C-9999 (9) other bump:3.22765 Ang CZ(14) at 36.8882 27.7376 24.778 in (null):R-9999 (2) and C(68) at 37.657 29.155 21.982 in (null):C-9999 (9) other bump:2.86387 Ang NH1(15) at 35.5892 27.8378 24.9938 in (null):R-9999 (2) and SG(66) at 38.3474 27.7499 25.7597 in (null):C-9999 (9) other bump:1.51901 Ang NE(13) at 37.7294 28.7531 24.801 in (null):R-9999 (2) and SG(66) at 38.3474 27.7499 25.7597 in (null):C-9999 (9) other bump:1.7587 Ang CZ(14) at 36.8882 27.7376 24.778 in (null):R-9999 (2) and SG(66) at 38.3474 27.7499 25.7597 in (null):C-9999 (9) other bump:1.96936 Ang NH2(16) at 37.3887 26.5408 24.536 in (null):R-9999 (2) and SG(66) at 38.3474 27.7499 25.7597 in (null):C-9999 (9) other bump:3.09299 Ang CG(11) at 38.2689 30.8247 26.0852 in (null):R-9999 (2) and SG(66) at 38.3474 27.7499 25.7597 in (null):C-9999 (9) other bump:2.67626 Ang CD(12) at 37.4519 30.1616 25.0219 in (null):R-9999 (2) and SG(66) at 38.3474 27.7499 25.7597 in (null):C-9999 (9) other bump:2.66012 Ang NH1(15) at 35.5892 27.8378 24.9938 in (null):R-9999 (2) and CB(65) at 38.0431 27.7123 23.9746 in (null):C-9999 (9) other bump:1.36559 Ang NE(13) at 37.7294 28.7531 24.801 in (null):R-9999 (2) and CB(65) at 38.0431 27.7123 23.9746 in (null):C-9999 (9) other bump:1.40712 Ang CZ(14) at 36.8882 27.7376 24.778 in (null):R-9999 (2) and CB(65) at 38.0431 27.7123 23.9746 in (null):C-9999 (9) other bump:1.45461 Ang NH2(16) at 37.3887 26.5408 24.536 in (null):R-9999 (2) and CB(65) at 38.0431 27.7123 23.9746 in (null):C-9999 (9) other bump:2.72866 Ang CD(12) at 37.4519 30.1616 25.0219 in (null):R-9999 (2) and CB(65) at 38.0431 27.7123 23.9746 in (null):C-9999 (9) other bump:1.35884 Ang NE(13) at 37.7294 28.7531 24.801 in (null):R-9999 (2) and CA(64) at 37.529 29.062 23.493 in (null):C-9999 (9) other bump:1.95343 Ang CZ(14) at 36.8882 27.7376 24.778 in (null):R-9999 (2) and CA(64) at 37.529 29.062 23.493 in (null):C-9999 (9) other bump:2.73202 Ang NH2(16) at 37.3887 26.5408 24.536 in (null):R-9999 (2) and CA(64) at 37.529 29.062 23.493 in (null):C-9999 (9) other bump:3.2209 Ang CG(11) at 38.2689 30.8247 26.0852 in (null):R-9999 (2) and CA(64) at 37.529 29.062 23.493 in (null):C-9999 (9) other bump:1.88482 Ang CD(12) at 37.4519 30.1616 25.0219 in (null):R-9999 (2) and CA(64) at 37.529 29.062 23.493 in (null):C-9999 (9) other bump:1.87624 Ang NH1(15) at 35.5892 27.8378 24.9938 in (null):R-9999 (2) and N(63) at 36.161 29.289 23.951 in (null):C-9999 (9) other bump:1.86266 Ang NE(13) at 37.7294 28.7531 24.801 in (null):R-9999 (2) and N(63) at 36.161 29.289 23.951 in (null):C-9999 (9) other bump:1.90252 Ang CZ(14) at 36.8882 27.7376 24.778 in (null):R-9999 (2) and N(63) at 36.161 29.289 23.951 in (null):C-9999 (9) other bump:1.89066 Ang CD(12) at 37.4519 30.1616 25.0219 in (null):R-9999 (2) and N(63) at 36.161 29.289 23.951 in (null):C-9999 (9) other bump:2.87349 Ang NH1(15) at 35.5892 27.8378 24.9938 in (null):R-9999 (2) and C(62) at 35.613 30.492 23.893 in (null):N-9999 (8) other bump:2.88569 Ang NE(13) at 37.7294 28.7531 24.801 in (null):R-9999 (2) and C(62) at 35.613 30.492 23.893 in (null):N-9999 (8) other bump:3.16165 Ang CZ(14) at 36.8882 27.7376 24.778 in (null):R-9999 (2) and C(62) at 35.613 30.492 23.893 in (null):N-9999 (8) other bump:2.18289 Ang CD(12) at 37.4519 30.1616 25.0219 in (null):R-9999 (2) and C(62) at 35.613 30.492 23.893 in (null):N-9999 (8) other bump:2.34094 Ang CD(12) at 37.4519 30.1616 25.0219 in (null):R-9999 (2) and O(61) at 36.264 31.461 23.479 in (null):N-9999 (8) other bump:1.74354 Ang CD(23) at 32.1323 31.2375 29.1464 in (null):K-9999 (3) and ND2(59) at 32.3196 31.454 27.4266 in (null):N-9999 (8) other bump:2.1438 Ang CE(24) at 31.4326 32.6165 28.9942 in (null):K-9999 (3) and ND2(59) at 32.3196 31.454 27.4266 in (null):N-9999 (8) other bump:2.47994 Ang NZ(25) at 30.1432 32.3175 28.2437 in (null):K-9999 (3) and ND2(59) at 32.3196 31.454 27.4266 in (null):N-9999 (8) other bump:3.06565 Ang CD(23) at 32.1323 31.2375 29.1464 in (null):K-9999 (3) and CG(58) at 32.7024 31.5694 26.1526 in (null):N-9999 (8) other bump:2.63186 Ang NH1(15) at 35.5892 27.8378 24.9938 in (null):R-9999 (2) and C(46) at 33.9 26.333 23.649 in (null):E-9999 (6) other bump:2.1667 Ang NH1(15) at 35.5892 27.8378 24.9938 in (null):R-9999 (2) and O(36) at 33.867 27.556 26.278 in (null):S-9999 (5) neighbor-bump: 2.47105 Ang CB(21) at 34.075 29.9218 29.9793 in (null):K-9999 (3) and N(28) at 34.529 27.756 31.079 in (null):G-9999 (4) Number of specific fragments= 1 total=1760 # 1afrA.165.165 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 165 :SRKGSEDNC 1afrA 184 :SPYLGFIYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1761 # 1dih.165.165 read from T0147_twice.t2k.frag # found chain 1dih in template set T0147_twice 165 :SRKGSEDNC 1dih 166 :APSGTALAM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37624 Ang NH1(15) at 27.6332 14.9166 43.3208 in (null):R-9999 (2) and C(46) at 26.377 14.124 41.466 in (null):E-9999 (6) other bump:2.23593 Ang NH1(15) at 27.6332 14.9166 43.3208 in (null):R-9999 (2) and O(45) at 25.789 13.976 42.476 in (null):E-9999 (6) Number of specific fragments= 1 total=1762 # 1i7gA.165.165 read from T0147_twice.t2k.frag # found chain 1i7gA in template set T0147_twice 165 :SRKGSEDNC 1i7gA 347 :LRKPFCDIM Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19983 Ang CB(21) at 52.21 43.158 38.41 in (null):K-9999 (3) and OE2(44) at 50.4303 44.0606 37.4841 in (null):E-9999 (6) other bump:2.70453 Ang CG(22) at 52.543 42.402 37.168 in (null):K-9999 (3) and OE2(44) at 50.4303 44.0606 37.4841 in (null):E-9999 (6) other bump:2.31547 Ang CA(20) at 51.022 42.611 39.19 in (null):K-9999 (3) and OE2(44) at 50.4303 44.0606 37.4841 in (null):E-9999 (6) other bump:1.86798 Ang O(17) at 48.622 42.573 40.595 in (null):R-9999 (2) and OE1(43) at 48.8731 43.3634 38.9212 in (null):E-9999 (6) other bump:1.91744 Ang C(18) at 49.401 43.519 40.758 in (null):R-9999 (2) and OE1(43) at 48.8731 43.3634 38.9212 in (null):E-9999 (6) other bump:2.07182 Ang N(19) at 50.55 43.632 40.108 in (null):K-9999 (3) and OE1(43) at 48.8731 43.3634 38.9212 in (null):E-9999 (6) other bump:2.29259 Ang CA(20) at 51.022 42.611 39.19 in (null):K-9999 (3) and OE1(43) at 48.8731 43.3634 38.9212 in (null):E-9999 (6) other bump:2.98703 Ang C(18) at 49.401 43.519 40.758 in (null):R-9999 (2) and CD(42) at 49.2548 43.7558 37.784 in (null):E-9999 (6) other bump:2.66346 Ang N(19) at 50.55 43.632 40.108 in (null):K-9999 (3) and CD(42) at 49.2548 43.7558 37.784 in (null):E-9999 (6) other bump:3.07935 Ang CB(21) at 52.21 43.158 38.41 in (null):K-9999 (3) and CD(42) at 49.2548 43.7558 37.784 in (null):E-9999 (6) other bump:2.53188 Ang CA(20) at 51.022 42.611 39.19 in (null):K-9999 (3) and CD(42) at 49.2548 43.7558 37.784 in (null):E-9999 (6) Number of specific fragments= 1 total=1763 # 1j8hD.165.165 read from T0147_twice.t2k.frag # found chain 1j8hD in template set T0147_twice 165 :SRKGSEDNC 1j8hD 168 :MRSMDFKSN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1764 # 1kcmA.165.165 read from T0147_twice.t2k.frag # found chain 1kcmA in template set T0147_twice 165 :SRKGSEDNC 1kcmA 167 :VKTGRGPLG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.1882 Ang OD1(51) at 44.2225 12.3926 16.7203 in (null):D-9999 (7) and N(55) at 43.439 13.016 18.666 in (null):N-9999 (8) neighbor-bump: 3.08776 Ang CB(40) at 44.0328 17.2323 19.452 in (null):E-9999 (6) and CA(48) at 45.229 14.611 18.342 in (null):D-9999 (7) neighbor-bump: 2.68273 Ang C(37) at 44.521 18.273 21.876 in (null):S-9999 (5) and CB(40) at 44.0328 17.2323 19.452 in (null):E-9999 (6) Number of specific fragments= 1 total=1765 # 1ah7.166.167 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 166 :RKGSEDNCR 1ah7 168 :KGTNPEEWI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.07405 Ang CG(5) at 38.4007 30.8155 25.9814 in (null):R-9999 (1) and SG(60) at 38.3474 27.7499 25.7597 in (null):C-9999 (8) other bump:3.16653 Ang CG(5) at 38.4007 30.8155 25.9814 in (null):R-9999 (1) and CA(58) at 37.529 29.062 23.493 in (null):C-9999 (8) other bump:1.74354 Ang CD(17) at 32.1323 31.2375 29.1464 in (null):K-9999 (2) and ND2(53) at 32.3196 31.454 27.4266 in (null):N-9999 (7) other bump:2.1438 Ang CE(18) at 31.4326 32.6165 28.9942 in (null):K-9999 (2) and ND2(53) at 32.3196 31.454 27.4266 in (null):N-9999 (7) other bump:2.47994 Ang NZ(19) at 30.1432 32.3175 28.2437 in (null):K-9999 (2) and ND2(53) at 32.3196 31.454 27.4266 in (null):N-9999 (7) other bump:3.06565 Ang CD(17) at 32.1323 31.2375 29.1464 in (null):K-9999 (2) and CG(52) at 32.7024 31.5694 26.1526 in (null):N-9999 (7) neighbor-bump: 2.47105 Ang CB(15) at 34.075 29.9218 29.9793 in (null):K-9999 (2) and N(22) at 34.529 27.756 31.079 in (null):G-9999 (3) Number of specific fragments= 1 total=1766 # 1afrA.166.166 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 166 :RKGSEDNCR 1afrA 185 :PYLGFIYTS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1767 # 1dih.166.166 read from T0147_twice.t2k.frag # found chain 1dih in template set T0147_twice 166 :RKGSEDNCR 1dih 167 :PSGTALAMG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.3946 Ang NH2(10) at 26.8537 16.8643 44.1744 in (null):R-9999 (1) and NH1(70) at 29.1698 17.337 44.557 in (null):R-9999 (9) other bump:2.01077 Ang CD(6) at 30.3655 16.0814 43.5388 in (null):R-9999 (1) and NH1(70) at 29.1698 17.337 44.557 in (null):R-9999 (9) other bump:0.961577 Ang NE(7) at 29.0788 16.6653 43.875 in (null):R-9999 (1) and NH1(70) at 29.1698 17.337 44.557 in (null):R-9999 (9) other bump:1.93036 Ang CZ(8) at 27.8776 16.1285 43.785 in (null):R-9999 (1) and NH1(70) at 29.1698 17.337 44.557 in (null):R-9999 (9) other bump:2.68117 Ang NH2(10) at 26.8537 16.8643 44.1744 in (null):R-9999 (1) and CZ(69) at 29.0788 16.5885 45.6446 in (null):R-9999 (9) other bump:2.51941 Ang CD(6) at 30.3655 16.0814 43.5388 in (null):R-9999 (1) and CZ(69) at 29.0788 16.5885 45.6446 in (null):R-9999 (9) other bump:1.77135 Ang NE(7) at 29.0788 16.6653 43.875 in (null):R-9999 (1) and CZ(69) at 29.0788 16.5885 45.6446 in (null):R-9999 (9) other bump:2.26111 Ang CZ(8) at 27.8776 16.1285 43.785 in (null):R-9999 (1) and CZ(69) at 29.0788 16.5885 45.6446 in (null):R-9999 (9) other bump:2.33468 Ang NH2(10) at 26.8537 16.8643 44.1744 in (null):R-9999 (1) and NE(68) at 27.9146 16.225 46.1534 in (null):R-9999 (9) other bump:2.59625 Ang NE(7) at 29.0788 16.6653 43.875 in (null):R-9999 (1) and NE(68) at 27.9146 16.225 46.1534 in (null):R-9999 (9) other bump:2.37059 Ang CZ(8) at 27.8776 16.1285 43.785 in (null):R-9999 (1) and NE(68) at 27.9146 16.225 46.1534 in (null):R-9999 (9) other bump:1.4787 Ang NH2(10) at 26.8537 16.8643 44.1744 in (null):R-9999 (1) and CD(67) at 26.6157 16.5801 45.6059 in (null):R-9999 (9) other bump:3.01171 Ang NE(7) at 29.0788 16.6653 43.875 in (null):R-9999 (1) and CD(67) at 26.6157 16.5801 45.6059 in (null):R-9999 (9) other bump:2.26091 Ang CZ(8) at 27.8776 16.1285 43.785 in (null):R-9999 (1) and CD(67) at 26.6157 16.5801 45.6059 in (null):R-9999 (9) other bump:3.15519 Ang NH2(10) at 26.8537 16.8643 44.1744 in (null):R-9999 (1) and CB(65) at 24.1973 15.8063 45.5084 in (null):R-9999 (9) other bump:2.37624 Ang NH1(9) at 27.6332 14.9166 43.3208 in (null):R-9999 (1) and C(40) at 26.377 14.124 41.466 in (null):E-9999 (5) other bump:2.23593 Ang NH1(9) at 27.6332 14.9166 43.3208 in (null):R-9999 (1) and O(39) at 25.789 13.976 42.476 in (null):E-9999 (5) Number of specific fragments= 1 total=1768 # 1i7gA.166.166 read from T0147_twice.t2k.frag # found chain 1i7gA in template set T0147_twice 166 :RKGSEDNCR 1i7gA 348 :RKPFCDIME Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19983 Ang CB(15) at 52.21 43.158 38.41 in (null):K-9999 (2) and OE2(38) at 50.4303 44.0606 37.4841 in (null):E-9999 (5) other bump:2.70453 Ang CG(16) at 52.543 42.402 37.168 in (null):K-9999 (2) and OE2(38) at 50.4303 44.0606 37.4841 in (null):E-9999 (5) other bump:2.31547 Ang CA(14) at 51.022 42.611 39.19 in (null):K-9999 (2) and OE2(38) at 50.4303 44.0606 37.4841 in (null):E-9999 (5) other bump:1.86798 Ang O(11) at 48.622 42.573 40.595 in (null):R-9999 (1) and OE1(37) at 48.8731 43.3634 38.9212 in (null):E-9999 (5) other bump:1.91744 Ang C(12) at 49.401 43.519 40.758 in (null):R-9999 (1) and OE1(37) at 48.8731 43.3634 38.9212 in (null):E-9999 (5) other bump:2.07182 Ang N(13) at 50.55 43.632 40.108 in (null):K-9999 (2) and OE1(37) at 48.8731 43.3634 38.9212 in (null):E-9999 (5) other bump:2.29259 Ang CA(14) at 51.022 42.611 39.19 in (null):K-9999 (2) and OE1(37) at 48.8731 43.3634 38.9212 in (null):E-9999 (5) other bump:2.98703 Ang C(12) at 49.401 43.519 40.758 in (null):R-9999 (1) and CD(36) at 49.2548 43.7558 37.784 in (null):E-9999 (5) other bump:2.66346 Ang N(13) at 50.55 43.632 40.108 in (null):K-9999 (2) and CD(36) at 49.2548 43.7558 37.784 in (null):E-9999 (5) other bump:3.07935 Ang CB(15) at 52.21 43.158 38.41 in (null):K-9999 (2) and CD(36) at 49.2548 43.7558 37.784 in (null):E-9999 (5) other bump:2.53188 Ang CA(14) at 51.022 42.611 39.19 in (null):K-9999 (2) and CD(36) at 49.2548 43.7558 37.784 in (null):E-9999 (5) Number of specific fragments= 1 total=1769 # 1arzC.166.166 read from T0147_twice.t2k.frag # found chain 1arzC in template set T0147_twice 166 :RKGSEDNCR 1arzC 167 :PSGTALAMG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76203 Ang CZ(8) at 67.4975 28.4613 29.2477 in (null):R-9999 (1) and CD(67) at 65.3082 27.8594 30.8204 in (null):R-9999 (9) other bump:1.82107 Ang NH2(10) at 67.0719 27.9135 30.3702 in (null):R-9999 (1) and CD(67) at 65.3082 27.8594 30.8204 in (null):R-9999 (9) other bump:2.77015 Ang NH1(9) at 67.6055 29.7765 29.198 in (null):R-9999 (1) and C(40) at 68.982 31.303 31.055 in (null):E-9999 (5) other bump:2.45526 Ang NH1(9) at 67.6055 29.7765 29.198 in (null):R-9999 (1) and CB(34) at 69.5497 31.1946 28.7108 in (null):E-9999 (5) other bump:3.01511 Ang CD(17) at 73.4976 34.3128 27.925 in (null):K-9999 (2) and CB(28) at 72.8008 34.8867 30.8018 in (null):S-9999 (4) other bump:3.07021 Ang CG(16) at 74.0274 32.9567 28.3906 in (null):K-9999 (2) and N(26) at 73.378 32.591 31.369 in (null):S-9999 (4) Number of specific fragments= 1 total=1770 # 1kcmA.166.166 read from T0147_twice.t2k.frag # found chain 1kcmA in template set T0147_twice 166 :RKGSEDNCR 1kcmA 168 :KTGRGPLGP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.1882 Ang OD1(45) at 44.2225 12.3926 16.7203 in (null):D-9999 (6) and N(49) at 43.439 13.016 18.666 in (null):N-9999 (7) neighbor-bump: 3.08776 Ang CB(34) at 44.0328 17.2323 19.452 in (null):E-9999 (5) and CA(42) at 45.229 14.611 18.342 in (null):D-9999 (6) neighbor-bump: 2.68273 Ang C(31) at 44.521 18.273 21.876 in (null):S-9999 (4) and CB(34) at 44.0328 17.2323 19.452 in (null):E-9999 (5) Number of specific fragments= 1 total=1771 # 1ah7.167.168 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 167 :KGSEDNCRE 1ah7 169 :GTNPEEWIH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39713 Ang CA(3) at 35.614 29.851 30.741 in (null):K-9999 (1) and CB(4) at 34.6107 30.4039 31.5408 in (null):K-9999 (1) Number of specific fragments= 1 total=1772 # 1dih.167.167 read from T0147_twice.t2k.frag # found chain 1dih in template set T0147_twice 167 :KGSEDNCRE 1dih 168 :SGTALAMGE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62279 Ang CG(33) at 26.3791 18.2842 40.5964 in (null):D-9999 (5) and NH2(60) at 27.9972 17.5153 42.512 in (null):R-9999 (8) other bump:1.37847 Ang OD1(34) at 27.2123 17.9541 41.4673 in (null):D-9999 (5) and NH2(60) at 27.9972 17.5153 42.512 in (null):R-9999 (8) other bump:2.56038 Ang OD1(34) at 27.2123 17.9541 41.4673 in (null):D-9999 (5) and CZ(58) at 27.922 16.9269 43.7026 in (null):R-9999 (8) Number of specific fragments= 1 total=1773 # 1i7gA.167.167 read from T0147_twice.t2k.frag # found chain 1i7gA in template set T0147_twice 167 :KGSEDNCRE 1i7gA 349 :KPFCDIMEP Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.07866 Ang O(36) at 46.286 38.237 33.099 in (null):D-9999 (5) and OE1(68) at 45.6518 38.3542 31.1229 in (null):E-9999 (9) other bump:2.70453 Ang CG(5) at 52.543 42.402 37.168 in (null):K-9999 (1) and OE2(27) at 50.4303 44.0606 37.4841 in (null):E-9999 (4) other bump:2.31547 Ang CA(3) at 51.022 42.611 39.19 in (null):K-9999 (1) and OE2(27) at 50.4303 44.0606 37.4841 in (null):E-9999 (4) other bump:2.19983 Ang CB(4) at 52.21 43.158 38.41 in (null):K-9999 (1) and OE2(27) at 50.4303 44.0606 37.4841 in (null):E-9999 (4) other bump:1.86798 Ang O(0) at 48.622 42.573 40.595 in (null):G-9999 (0) and OE1(26) at 48.8731 43.3634 38.9212 in (null):E-9999 (4) other bump:1.91744 Ang C(1) at 49.401 43.519 40.758 in (null):G-9999 (0) and OE1(26) at 48.8731 43.3634 38.9212 in (null):E-9999 (4) other bump:2.07182 Ang N(2) at 50.55 43.632 40.108 in (null):K-9999 (1) and OE1(26) at 48.8731 43.3634 38.9212 in (null):E-9999 (4) other bump:2.29259 Ang CA(3) at 51.022 42.611 39.19 in (null):K-9999 (1) and OE1(26) at 48.8731 43.3634 38.9212 in (null):E-9999 (4) other bump:2.98703 Ang C(1) at 49.401 43.519 40.758 in (null):G-9999 (0) and CD(25) at 49.2548 43.7558 37.784 in (null):E-9999 (4) other bump:2.66346 Ang N(2) at 50.55 43.632 40.108 in (null):K-9999 (1) and CD(25) at 49.2548 43.7558 37.784 in (null):E-9999 (4) other bump:2.53188 Ang CA(3) at 51.022 42.611 39.19 in (null):K-9999 (1) and CD(25) at 49.2548 43.7558 37.784 in (null):E-9999 (4) other bump:3.07935 Ang CB(4) at 52.21 43.158 38.41 in (null):K-9999 (1) and CD(25) at 49.2548 43.7558 37.784 in (null):E-9999 (4) Number of specific fragments= 1 total=1774 # 1afrA.167.167 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 167 :KGSEDNCRE 1afrA 186 :YLGFIYTSF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1775 # 1arzC.167.167 read from T0147_twice.t2k.frag # found chain 1arzC in template set T0147_twice 167 :KGSEDNCRE 1arzC 168 :SGTALAMGE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1776 # 1efvB.167.98 read from T0147_twice.t2k.frag # adding 1efvB to template set 1efvB:# found chain 1efvB in template set T0147_twice 167 :KGSEDNCRE 1efvB 99 :LGPLQVARV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37792 Ang O(19) at 19.096 46.926 47.887 in (null):S-9999 (3) and SG(49) at 16.8549 47.6353 48.2457 in (null):C-9999 (7) Number of specific fragments= 1 total=1777 # 1ah7.168.169 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 168 :GSEDNCREV 1ah7 170 :TNPEEWIHG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1778 # 1dih.168.168 read from T0147_twice.t2k.frag # found chain 1dih in template set T0147_twice 168 :GSEDNCREV 1dih 169 :GTALAMGEA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62279 Ang CG(24) at 26.3791 18.2842 40.5964 in (null):D-9999 (4) and NH2(51) at 27.9972 17.5153 42.512 in (null):R-9999 (7) other bump:1.37847 Ang OD1(25) at 27.2123 17.9541 41.4673 in (null):D-9999 (4) and NH2(51) at 27.9972 17.5153 42.512 in (null):R-9999 (7) other bump:2.56038 Ang OD1(25) at 27.2123 17.9541 41.4673 in (null):D-9999 (4) and CZ(49) at 27.922 16.9269 43.7026 in (null):R-9999 (7) Number of specific fragments= 1 total=1779 # 1i7gA.168.168 read from T0147_twice.t2k.frag # found chain 1i7gA in template set T0147_twice 168 :GSEDNCREV 1i7gA 350 :PFCDIMEPK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.07866 Ang O(27) at 46.286 38.237 33.099 in (null):D-9999 (4) and OE1(59) at 45.6518 38.3542 31.1229 in (null):E-9999 (8) Number of specific fragments= 1 total=1780 # 1afrA.168.168 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 168 :GSEDNCREV 1afrA 187 :LGFIYTSFQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1781 # 1efvB.168.99 read from T0147_twice.t2k.frag # found chain 1efvB in template set T0147_twice 168 :GSEDNCREV 1efvB 100 :GPLQVARVL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37792 Ang O(10) at 19.096 46.926 47.887 in (null):S-9999 (2) and SG(40) at 16.8549 47.6353 48.2457 in (null):C-9999 (6) Number of specific fragments= 1 total=1782 # 1arzC.168.168 read from T0147_twice.t2k.frag # found chain 1arzC in template set T0147_twice 168 :GSEDNCREV 1arzC 169 :GTALAMGEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1783 # 1ah7.169.170 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 169 :SEDNCREVA 1ah7 171 :NPEEWIHGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1784 # 1dih.169.169 read from T0147_twice.t2k.frag # found chain 1dih in template set T0147_twice 169 :SEDNCREVA 1dih 170 :TALAMGEAI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62279 Ang CG(20) at 26.3791 18.2842 40.5964 in (null):D-9999 (3) and NH2(47) at 27.9972 17.5153 42.512 in (null):R-9999 (6) other bump:1.37847 Ang OD1(21) at 27.2123 17.9541 41.4673 in (null):D-9999 (3) and NH2(47) at 27.9972 17.5153 42.512 in (null):R-9999 (6) other bump:2.56038 Ang OD1(21) at 27.2123 17.9541 41.4673 in (null):D-9999 (3) and CZ(45) at 27.922 16.9269 43.7026 in (null):R-9999 (6) Number of specific fragments= 1 total=1785 # 1qbqA.169.170 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 169 :SEDNCREVA 1qbqA 215 :LWDNELQYV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.53943 Ang C(1) at 208.082 116.23 9.907 in (null):G-9999 (0) and OE1(13) at 209.07 114.197 11.0651 in (null):E-9999 (2) Number of specific fragments= 1 total=1786 # 1i7gA.169.169 read from T0147_twice.t2k.frag # found chain 1i7gA in template set T0147_twice 169 :SEDNCREVA 1i7gA 351 :FCDIMEPKF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.07866 Ang O(23) at 46.286 38.237 33.099 in (null):D-9999 (3) and OE1(55) at 45.6518 38.3542 31.1229 in (null):E-9999 (7) Number of specific fragments= 1 total=1787 # 1efvB.169.100 read from T0147_twice.t2k.frag # found chain 1efvB in template set T0147_twice 169 :SEDNCREVA 1efvB 101 :PLQVARVLA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37791 Ang O(6) at 19.096 46.926 47.887 in (null):S-9999 (1) and SG(36) at 16.8549 47.6353 48.2457 in (null):C-9999 (5) Number of specific fragments= 1 total=1788 # 1afrA.169.169 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 169 :SEDNCREVA 1afrA 188 :GFIYTSFQE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1789 # 1ah7.170.171 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 170 :EDNCREVAA 1ah7 172 :PEEWIHGAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1790 # 1qbqA.170.171 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 170 :EDNCREVAA 1qbqA 216 :WDNELQYVD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1791 # 1dih.170.170 read from T0147_twice.t2k.frag # found chain 1dih in template set T0147_twice 170 :EDNCREVAA 1dih 171 :ALAMGEAIA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6228 Ang CG(14) at 26.3791 18.2842 40.5964 in (null):D-9999 (2) and NH2(41) at 27.9972 17.5153 42.512 in (null):R-9999 (5) other bump:1.37848 Ang OD1(15) at 27.2123 17.9541 41.4673 in (null):D-9999 (2) and NH2(41) at 27.9972 17.5153 42.512 in (null):R-9999 (5) other bump:2.56039 Ang OD1(15) at 27.2123 17.9541 41.4673 in (null):D-9999 (2) and CZ(39) at 27.922 16.9269 43.7026 in (null):R-9999 (5) Number of specific fragments= 1 total=1792 # 1i7gA.170.170 read from T0147_twice.t2k.frag # found chain 1i7gA in template set T0147_twice 170 :EDNCREVAA 1i7gA 352 :CDIMEPKFD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.07866 Ang O(17) at 46.286 38.237 33.099 in (null):D-9999 (2) and OE1(49) at 45.6518 38.3542 31.1229 in (null):E-9999 (6) Number of specific fragments= 1 total=1793 # 1efvB.170.101 read from T0147_twice.t2k.frag # found chain 1efvB in template set T0147_twice 170 :EDNCREVAA 1efvB 102 :LQVARVLAK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37792 Ang O(0) at 19.096 46.926 47.887 in (null):G-9999 (0) and SG(30) at 16.8549 47.6353 48.2457 in (null):C-9999 (4) Number of specific fragments= 1 total=1794 # 1gr0A.170.175 read from T0147_twice.t2k.frag # adding 1gr0A to template set 1gr0A:# found chain 1gr0A in template set T0147_twice 170 :EDNCREVAA 1gr0A 176 :IASDPVWAK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94755 Ang CB(4) at -1.37938 38.7821 10.706 in (null):E-9999 (1) and CG1(56) at -0.467881 41.5022 11.3833 in (null):V-9999 (7) self-bump: 1.26957 Ang CA(3) at -0.836 38.433 9.613 in (null):E-9999 (1) and CB(4) at -1.37938 38.7821 10.706 in (null):E-9999 (1) Number of specific fragments= 1 total=1795 # 1ah7.171.172 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 171 :DNCREVAAA 1ah7 173 :EEWIHGAAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1796 # 1qbqA.171.172 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 171 :DNCREVAAA 1qbqA 217 :DNELQYVDQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1797 # 1gr0A.171.176 read from T0147_twice.t2k.frag # found chain 1gr0A in template set T0147_twice 171 :DNCREVAAA 1gr0A 177 :ASDPVWAKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1798 # 1e19A.171.172 read from T0147_twice.t2k.frag # adding 1e19A to template set 1e19A:Skipped atom 14, because occupancy 0.5 <= existing 0.500001 Skipped atom 15, because occupancy 0.5 <= existing 0.500001 Skipped atom 16, because occupancy 0.5 <= existing 0.500001 Skipped atom 17, because occupancy 0.5 <= existing 0.500001 Skipped atom 18, because occupancy 0.5 <= existing 0.500001 Skipped atom 284, because occupancy 0.5 <= existing 0.500001 Skipped atom 285, because occupancy 0.5 <= existing 0.500001 Skipped atom 286, because occupancy 0.5 <= existing 0.500001 Skipped atom 287, because occupancy 0.5 <= existing 0.500001 Skipped atom 318, because occupancy 0.4 <= existing 0.600001 Skipped atom 319, because occupancy 0.4 <= existing 0.600001 Skipped atom 320, because occupancy 0.4 <= existing 0.600001 Skipped atom 321, because occupancy 0.4 <= existing 0.600001 Skipped atom 441, because occupancy 0.5 <= existing 0.500001 Skipped atom 442, because occupancy 0.5 <= existing 0.500001 Skipped atom 443, because occupancy 0.5 <= existing 0.500001 Skipped atom 454, because occupancy 0.2 <= existing 0.800001 Skipped atom 455, because occupancy 0.2 <= existing 0.800001 Skipped atom 763, because occupancy 0.5 <= existing 0.500001 Skipped atom 764, because occupancy 0.5 <= existing 0.500001 Skipped atom 765, because occupancy 0.5 <= existing 0.500001 Skipped atom 766, because occupancy 0.5 <= existing 0.500001 Skipped atom 767, because occupancy 0.5 <= existing 0.500001 Skipped atom 875, because occupancy 0.5 <= existing 0.500001 Skipped atom 876, because occupancy 0.5 <= existing 0.500001 Skipped atom 877, because occupancy 0.5 <= existing 0.500001 Skipped atom 878, because occupancy 0.5 <= existing 0.500001 Skipped atom 1391, because occupancy 0.5 <= existing 0.500001 Skipped atom 1392, because occupancy 0.5 <= existing 0.500001 Skipped atom 1393, because occupancy 0.5 <= existing 0.500001 Skipped atom 1394, because occupancy 0.5 <= existing 0.500001 Skipped atom 1395, because occupancy 0.5 <= existing 0.500001 Skipped atom 1453, because occupancy 0.5 <= existing 0.500001 Skipped atom 1454, because occupancy 0.5 <= existing 0.500001 Skipped atom 1455, because occupancy 0.5 <= existing 0.500001 Skipped atom 1456, because occupancy 0.5 <= existing 0.500001 Skipped atom 1457, because occupancy 0.5 <= existing 0.500001 Skipped atom 1671, because occupancy 0.5 <= existing 0.500001 Skipped atom 1672, because occupancy 0.5 <= existing 0.500001 Skipped atom 1673, because occupancy 0.5 <= existing 0.500001 Skipped atom 1674, because occupancy 0.5 <= existing 0.500001 Skipped atom 1675, because occupancy 0.5 <= existing 0.500001 Skipped atom 2159, because occupancy 0.5 <= existing 0.500001 Skipped atom 2160, because occupancy 0.5 <= existing 0.500001 Skipped atom 2161, because occupancy 0.5 <= existing 0.500001 Skipped atom 2162, because occupancy 0.5 <= existing 0.500001 Skipped atom 2350, because occupancy 0.5 <= existing 0.500001 Skipped atom 2351, because occupancy 0.5 <= existing 0.500001 Skipped atom 2352, because occupancy 0.5 <= existing 0.500001 Skipped atom 2353, because occupancy 0.5 <= existing 0.500001 Skipped atom 2354, because occupancy 0.5 <= existing 0.500001 Skipped atom 2412, because occupancy 0.5 <= existing 0.500001 Skipped atom 2413, because occupancy 0.5 <= existing 0.500001 Skipped atom 2414, because occupancy 0.5 <= existing 0.500001 Skipped atom 2415, because occupancy 0.5 <= existing 0.500001 Skipped atom 2416, because occupancy 0.5 <= existing 0.500001 # found chain 1e19A in template set T0147_twice 171 :DNCREVAAA 1e19A 173 :HVEAETIKK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.07617 Ang CB(4) at 22.0375 25.8627 45.6757 in (null):D-9999 (1) and CG(27) at 24.9363 25.2076 46.4697 in (null):R-9999 (4) neighbor-bump: 2.60387 Ang ND2(14) at 21.4929 24.8062 40.494 in (null):N-9999 (2) and SG(21) at 22.375 27.1195 39.6873 in (null):C-9999 (3) self-bump: 1.38457 Ang CA(11) at 22.703 23.04 42.094 in (null):N-9999 (2) and CB(12) at 22.1622 22.5743 40.9075 in (null):N-9999 (2) Number of specific fragments= 1 total=1799 # 1efvB.171.102 read from T0147_twice.t2k.frag # found chain 1efvB in template set T0147_twice 171 :DNCREVAAA 1efvB 103 :QVARVLAKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1800 # 1dih.171.171 read from T0147_twice.t2k.frag # found chain 1dih in template set T0147_twice 171 :DNCREVAAA 1dih 172 :LAMGEAIAH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63873 Ang CG(5) at 26.521 18.1413 40.4164 in (null):D-9999 (1) and NH2(32) at 27.9972 17.5153 42.512 in (null):R-9999 (4) other bump:1.39549 Ang OD1(6) at 27.3134 17.8381 41.3392 in (null):D-9999 (1) and NH2(32) at 27.9972 17.5153 42.512 in (null):R-9999 (4) other bump:2.6051 Ang OD1(6) at 27.3134 17.8381 41.3392 in (null):D-9999 (1) and CZ(30) at 27.922 16.9269 43.7026 in (null):R-9999 (4) Number of specific fragments= 1 total=1801 # 1ah7.172.173 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 172 :NCREVAAAV 1ah7 174 :EWIHGAAVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1802 # 1gr0A.172.177 read from T0147_twice.t2k.frag # found chain 1gr0A in template set T0147_twice 172 :NCREVAAAV 1gr0A 178 :SDPVWAKKF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1803 # 1lucA.172.174 read from T0147_twice.t2k.frag # found chain 1lucA in template set T0147_twice 172 :NCREVAAAV 1lucA 175 :ESASTTEWA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.04795 Ang C(1) at 62.45 -7.167 22.643 in (null):G-9999 (0) and CG1(39) at 62.1407 -10.1958 22.4989 in (null):V-9999 (5) other bump:2.87427 Ang N(2) at 61.872 -7.626 23.758 in (null):N-9999 (1) and CG1(39) at 62.1407 -10.1958 22.4989 in (null):V-9999 (5) other bump:2.83994 Ang N(10) at 63.549 -9.461 24.853 in (null):C-9999 (2) and CG1(39) at 62.1407 -10.1958 22.4989 in (null):V-9999 (5) Number of specific fragments= 1 total=1804 # 1brlA.172.174 read from T0147_twice.t2k.frag # found chain 1brlA in template set T0147_twice 172 :NCREVAAAV 1brlA 175 :ESASTTEWA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.19798 Ang C(26) at 8.317 74.186 106.354 in (null):R-9999 (3) and N(43) at 6.305 75.622 104.325 in (null):A-9999 (6) other bump:2.53797 Ang SG(13) at 8.41486 71.4899 102.45 in (null):C-9999 (2) and CG1(39) at 6.54269 73.2 102.34 in (null):V-9999 (5) other bump:3.01601 Ang C(15) at 6.61 71.757 104.988 in (null):C-9999 (2) and CG1(39) at 6.54269 73.2 102.34 in (null):V-9999 (5) self-bump: 1.3977 Ang CA(3) at 3.217 69.88 102.95 in (null):N-9999 (1) and CB(4) at 3.30725 68.5458 102.544 in (null):N-9999 (1) Number of specific fragments= 1 total=1805 # 1e19A.172.173 read from T0147_twice.t2k.frag # found chain 1e19A in template set T0147_twice 172 :NCREVAAAV 1e19A 174 :VEAETIKKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1806 # 1qbqA.172.173 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 172 :NCREVAAAV 1qbqA 218 :NELQYVDQL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1807 # 1gr0A.173.178 read from T0147_twice.t2k.frag # found chain 1gr0A in template set T0147_twice 173 :CREVAAAVR 1gr0A 179 :DPVWAKKFT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1808 # 1ah7.173.174 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 173 :CREVAAAVR 1ah7 175 :WIHGAAVVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1809 # 1lucA.173.175 read from T0147_twice.t2k.frag # found chain 1lucA in template set T0147_twice 173 :CREVAAAVR 1lucA 176 :SASTTEWAA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83994 Ang N(2) at 63.549 -9.461 24.853 in (null):C-9999 (1) and CG1(31) at 62.1407 -10.1958 22.4989 in (null):V-9999 (4) Number of specific fragments= 1 total=1810 # 1brlA.173.175 read from T0147_twice.t2k.frag # found chain 1brlA in template set T0147_twice 173 :CREVAAAVR 1brlA 176 :SASTTEWAA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.19798 Ang C(18) at 8.317 74.186 106.354 in (null):R-9999 (2) and N(35) at 6.305 75.622 104.325 in (null):A-9999 (5) other bump:3.01601 Ang C(7) at 6.61 71.757 104.988 in (null):C-9999 (1) and CG1(31) at 6.54268 73.2 102.34 in (null):V-9999 (4) other bump:2.79082 Ang CB(4) at 7.87293 70.8777 103.132 in (null):C-9999 (1) and CG1(31) at 6.54268 73.2 102.34 in (null):V-9999 (4) Number of specific fragments= 1 total=1811 # 1e19A.173.174 read from T0147_twice.t2k.frag # found chain 1e19A in template set T0147_twice 173 :CREVAAAVR 1e19A 175 :EAETIKKLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1812 # 1efvB.173.104 read from T0147_twice.t2k.frag # found chain 1efvB in template set T0147_twice 173 :CREVAAAVR 1efvB 105 :ARVLAKLAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1813 # 1e19A.174.175 read from T0147_twice.t2k.frag # found chain 1e19A in template set T0147_twice 174 :REVAAAVRD 1e19A 176 :AETIKKLVE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1814 # 1gr0A.174.179 read from T0147_twice.t2k.frag # found chain 1gr0A in template set T0147_twice 174 :REVAAAVRD 1gr0A 180 :PVWAKKFTD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1815 # 1ah7.174.175 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 174 :REVAAAVRD 1ah7 176 :IHGAAVVAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1816 # 1lucA.174.176 read from T0147_twice.t2k.frag # found chain 1lucA in template set T0147_twice 174 :REVAAAVRD 1lucA 177 :ASTTEWAAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1817 # 1brlA.174.176 read from T0147_twice.t2k.frag # found chain 1brlA in template set T0147_twice 174 :REVAAAVRD 1brlA 177 :ASTTEWAAE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.19798 Ang C(12) at 8.317 74.186 106.354 in (null):R-9999 (1) and N(29) at 6.305 75.622 104.325 in (null):A-9999 (4) other bump:3.01602 Ang C(1) at 6.61 71.757 104.988 in (null):G-9999 (0) and CG1(25) at 6.54269 73.2 102.34 in (null):V-9999 (3) Number of specific fragments= 1 total=1818 # 1efvB.174.105 read from T0147_twice.t2k.frag # found chain 1efvB in template set T0147_twice 174 :REVAAAVRD 1efvB 106 :RVLAKLAEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1819 # 1e19A.175.176 read from T0147_twice.t2k.frag # found chain 1e19A in template set T0147_twice 175 :EVAAAVRDA 1e19A 177 :ETIKKLVER Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28264 Ang O(26) at 32.133 32.731 45.443 in (null):A-9999 (4) and OD2(56) at 34.1143 32.1769 46.4318 in (null):D-9999 (8) Number of specific fragments= 1 total=1820 # 1lucA.175.177 read from T0147_twice.t2k.frag # found chain 1lucA in template set T0147_twice 175 :EVAAAVRDA 1lucA 178 :STTEWAAER Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26161 Ang O(26) at 63.383 -15.381 15.884 in (null):A-9999 (4) and OD2(56) at 63.0054 -17.5855 15.5486 in (null):D-9999 (8) Number of specific fragments= 1 total=1821 # 1brlA.175.177 read from T0147_twice.t2k.frag # found chain 1brlA in template set T0147_twice 175 :EVAAAVRDA 1brlA 178 :STTEWAAER Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.19253 Ang C(50) at 5.534 83.914 104.691 in (null):R-9999 (7) and N(64) at 3.979 85.45 102.364 in (null):G-9999 (10) other bump:2.85787 Ang C(27) at 8.019 79.822 104.813 in (null):A-9999 (4) and OD2(56) at 9.7472 82.0979 104.779 in (null):D-9999 (8) other bump:2.29673 Ang O(26) at 7.718 81.024 104.843 in (null):A-9999 (4) and OD2(56) at 9.7472 82.0979 104.779 in (null):D-9999 (8) other bump:3.19798 Ang C(1) at 8.317 74.186 106.354 in (null):G-9999 (0) and N(18) at 6.305 75.622 104.325 in (null):A-9999 (3) Number of specific fragments= 1 total=1822 # 1brlB.175.177 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 175 :EVAAAVRDA 1brlB 178 :EVVEWAAKL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.2554 Ang C(50) at 12.08 65.939 51.375 in (null):R-9999 (7) and N(64) at 9.606 64.422 52.85 in (null):G-9999 (10) other bump:2.34274 Ang O(21) at 13.55 70.566 51.739 in (null):A-9999 (3) and CG(43) at 12.322 69.5319 50.0328 in (null):R-9999 (7) Number of specific fragments= 1 total=1823 # 1gr0A.175.180 read from T0147_twice.t2k.frag # found chain 1gr0A in template set T0147_twice 175 :EVAAAVRDA 1gr0A 181 :VWAKKFTDA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1824 # 1ah7.175.176 read from T0147_twice.t2k.frag # found chain 1ah7 in template set T0147_twice 175 :EVAAAVRDA 1ah7 177 :HGAAVVAKQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1825 # 1lucA.176.178 read from T0147_twice.t2k.frag # found chain 1lucA in template set T0147_twice 176 :VAAAVRDAG 1lucA 179 :TTEWAAERG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26161 Ang O(17) at 63.383 -15.381 15.884 in (null):A-9999 (3) and OD2(47) at 63.0054 -17.5855 15.5486 in (null):D-9999 (7) Number of specific fragments= 1 total=1826 # 1brlA.176.178 read from T0147_twice.t2k.frag # found chain 1brlA in template set T0147_twice 176 :VAAAVRDAG 1brlA 179 :TTEWAAERG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.19253 Ang C(41) at 5.534 83.914 104.691 in (null):R-9999 (6) and N(55) at 3.979 85.45 102.364 in (null):G-9999 (9) other bump:2.29673 Ang O(17) at 7.718 81.024 104.843 in (null):A-9999 (3) and OD2(47) at 9.7472 82.0979 104.779 in (null):D-9999 (7) other bump:2.85787 Ang C(18) at 8.019 79.822 104.813 in (null):A-9999 (3) and OD2(47) at 9.7472 82.0979 104.779 in (null):D-9999 (7) Number of specific fragments= 1 total=1827 # 1e19A.176.177 read from T0147_twice.t2k.frag # found chain 1e19A in template set T0147_twice 176 :VAAAVRDAG 1e19A 178 :TIKKLVERG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28264 Ang O(17) at 32.133 32.731 45.443 in (null):A-9999 (3) and OD2(47) at 34.1143 32.1769 46.4318 in (null):D-9999 (7) Number of specific fragments= 1 total=1828 # 1brlB.176.178 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 176 :VAAAVRDAG 1brlB 179 :VVEWAAKLG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.2554 Ang C(41) at 12.08 65.939 51.375 in (null):R-9999 (6) and N(55) at 9.606 64.422 52.85 in (null):G-9999 (9) other bump:2.34274 Ang O(12) at 13.55 70.566 51.739 in (null):A-9999 (2) and CG(34) at 12.322 69.5319 50.0328 in (null):R-9999 (6) Number of specific fragments= 1 total=1829 # 1mla.176.178 read from T0147_twice.t2k.frag # found chain 1mla in training set T0147_twice 176 :VAAAVRDAG 1mla 179 :AGAACKAAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1830 # 1lucB.176.178 read from T0147_twice.t2k.frag # adding 1lucB to template set 1lucB:# found chain 1lucB in template set T0147_twice 176 :VAAAVRDAG 1lucB 179 :VVEWAAKLG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16657 Ang O(17) at 12.99 -2.807 32.556 in (null):A-9999 (3) and OD2(47) at 12.9429 -3.08545 34.7041 in (null):D-9999 (7) Number of specific fragments= 1 total=1831 # 1brlA.177.179 read from T0147_twice.t2k.frag # found chain 1brlA in template set T0147_twice 177 :AAAVRDAGG 1brlA 180 :TEWAAERGL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74162 Ang CG1(20) at 2.74766 80.7933 101.47 in (null):V-9999 (4) and O(54) at 0.193 81.782 101.357 in (null):G-9999 (9) other bump:3.19253 Ang C(34) at 5.534 83.914 104.691 in (null):R-9999 (5) and N(48) at 3.979 85.45 102.364 in (null):G-9999 (8) other bump:2.29673 Ang O(10) at 7.718 81.024 104.843 in (null):A-9999 (2) and OD2(40) at 9.7472 82.0979 104.779 in (null):D-9999 (6) other bump:2.85787 Ang C(11) at 8.019 79.822 104.813 in (null):A-9999 (2) and OD2(40) at 9.7472 82.0979 104.779 in (null):D-9999 (6) Number of specific fragments= 1 total=1832 # 1lucA.177.179 read from T0147_twice.t2k.frag # found chain 1lucA in template set T0147_twice 177 :AAAVRDAGG 1lucA 180 :TEWAAERGL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39627 Ang CG1(20) at 61.1845 -9.67329 14.5823 in (null):V-9999 (4) and O(54) at 61.401 -8.511 12.498 in (null):G-9999 (9) other bump:2.26161 Ang O(10) at 63.383 -15.381 15.884 in (null):A-9999 (2) and OD2(40) at 63.0054 -17.5855 15.5486 in (null):D-9999 (6) Number of specific fragments= 1 total=1833 # 1e19A.177.178 read from T0147_twice.t2k.frag # found chain 1e19A in template set T0147_twice 177 :AAAVRDAGG 1e19A 179 :IKKLVERGV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28264 Ang O(10) at 32.133 32.731 45.443 in (null):A-9999 (2) and OD2(40) at 34.1143 32.1769 46.4318 in (null):D-9999 (6) Number of specific fragments= 1 total=1834 # 1brlB.177.179 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 177 :AAAVRDAGG 1brlB 180 :VEWAAKLGL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.2554 Ang C(34) at 12.08 65.939 51.375 in (null):R-9999 (5) and N(48) at 9.606 64.422 52.85 in (null):G-9999 (8) other bump:2.34274 Ang O(5) at 13.55 70.566 51.739 in (null):A-9999 (1) and CG(27) at 12.322 69.5319 50.0328 in (null):R-9999 (5) Number of specific fragments= 1 total=1835 # 1mla.177.179 read from T0147_twice.t2k.frag # found chain 1mla in training set T0147_twice 177 :AAAVRDAGG 1mla 180 :GAACKAAGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1836 # 1lucB.177.179 read from T0147_twice.t2k.frag # found chain 1lucB in template set T0147_twice 177 :AAAVRDAGG 1lucB 180 :VEWAAKLGL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70204 Ang CG1(20) at 15.9125 0.741564 28.0914 in (null):V-9999 (4) and O(54) at 15.467 3.37 27.651 in (null):G-9999 (9) other bump:2.16657 Ang O(10) at 12.99 -2.807 32.556 in (null):A-9999 (2) and OD2(40) at 12.9429 -3.08545 34.7041 in (null):D-9999 (6) Number of specific fragments= 1 total=1837 # 1brlA.178.180 read from T0147_twice.t2k.frag # found chain 1brlA in template set T0147_twice 178 :AAVRDAGGW 1brlA 181 :EWAAERGLP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74162 Ang CG1(15) at 2.74766 80.7933 101.47 in (null):V-9999 (3) and O(49) at 0.193 81.782 101.357 in (null):G-9999 (8) other bump:3.19253 Ang C(29) at 5.534 83.914 104.691 in (null):R-9999 (4) and N(43) at 3.979 85.45 102.364 in (null):G-9999 (7) other bump:2.85787 Ang C(6) at 8.019 79.822 104.813 in (null):A-9999 (1) and OD2(35) at 9.7472 82.0979 104.779 in (null):D-9999 (5) other bump:2.29673 Ang O(5) at 7.718 81.024 104.843 in (null):A-9999 (1) and OD2(35) at 9.7472 82.0979 104.779 in (null):D-9999 (5) Number of specific fragments= 1 total=1838 # 1lucA.178.180 read from T0147_twice.t2k.frag # found chain 1lucA in template set T0147_twice 178 :AAVRDAGGW 1lucA 181 :EWAAERGLP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39627 Ang CG1(15) at 61.1845 -9.67329 14.5823 in (null):V-9999 (3) and O(49) at 61.401 -8.511 12.498 in (null):G-9999 (8) other bump:2.26161 Ang O(5) at 63.383 -15.381 15.884 in (null):A-9999 (1) and OD2(35) at 63.0054 -17.5855 15.5486 in (null):D-9999 (5) Number of specific fragments= 1 total=1839 # 1e19A.178.179 read from T0147_twice.t2k.frag # found chain 1e19A in template set T0147_twice 178 :AAVRDAGGW 1e19A 180 :KKLVERGVI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28264 Ang O(5) at 32.133 32.731 45.443 in (null):A-9999 (1) and OD2(35) at 34.1143 32.1769 46.4318 in (null):D-9999 (5) Number of specific fragments= 1 total=1840 # 1brlB.178.180 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 178 :AAVRDAGGW 1brlB 181 :EWAAKLGLP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.2554 Ang C(29) at 12.08 65.939 51.375 in (null):R-9999 (4) and N(43) at 9.606 64.422 52.85 in (null):G-9999 (7) other bump:2.34274 Ang O(0) at 13.55 70.566 51.739 in (null):G-9999 (0) and CG(22) at 12.322 69.5319 50.0328 in (null):R-9999 (4) Number of specific fragments= 1 total=1841 # 1lucB.178.180 read from T0147_twice.t2k.frag # found chain 1lucB in template set T0147_twice 178 :AAVRDAGGW 1lucB 181 :EWAAKLGLP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70204 Ang CG1(15) at 15.9125 0.741564 28.0914 in (null):V-9999 (3) and O(49) at 15.467 3.37 27.651 in (null):G-9999 (8) other bump:2.16657 Ang O(5) at 12.99 -2.807 32.556 in (null):A-9999 (1) and OD2(35) at 12.9429 -3.08545 34.7041 in (null):D-9999 (5) Number of specific fragments= 1 total=1842 # 1mla.178.180 read from T0147_twice.t2k.frag # found chain 1mla in training set T0147_twice 178 :AAVRDAGGW 1mla 181 :AACKAAGAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1843 # 1brlA.179.181 read from T0147_twice.t2k.frag # found chain 1brlA in template set T0147_twice 179 :AVRDAGGWV 1brlA 182 :WAAERGLPM Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.02041 Ang C(59) at -1.638 80.103 99.836 in (null):W-9999 (8) and CG1(63) at 0.476727 78.3341 101.07 in (null):V-9999 (9) other bump:2.74162 Ang CG1(10) at 2.74766 80.7933 101.47 in (null):V-9999 (2) and O(44) at 0.193 81.782 101.357 in (null):G-9999 (7) other bump:3.19253 Ang C(24) at 5.534 83.914 104.691 in (null):R-9999 (3) and N(38) at 3.979 85.45 102.364 in (null):G-9999 (6) other bump:2.29673 Ang O(0) at 7.718 81.024 104.843 in (null):G-9999 (0) and OD2(30) at 9.7472 82.0979 104.779 in (null):D-9999 (4) other bump:2.85787 Ang C(1) at 8.019 79.822 104.813 in (null):G-9999 (0) and OD2(30) at 9.7472 82.0979 104.779 in (null):D-9999 (4) Number of specific fragments= 1 total=1844 # 1lucA.179.181 read from T0147_twice.t2k.frag # found chain 1lucA in template set T0147_twice 179 :AVRDAGGWV 1lucA 182 :WAAERGLPM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39627 Ang CG1(10) at 61.1845 -9.67329 14.5823 in (null):V-9999 (2) and O(44) at 61.401 -8.511 12.498 in (null):G-9999 (7) other bump:2.26161 Ang O(0) at 63.383 -15.381 15.884 in (null):G-9999 (0) and OD2(30) at 63.0054 -17.5855 15.5486 in (null):D-9999 (4) Number of specific fragments= 1 total=1845 # 1brlB.179.181 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 179 :AVRDAGGWV 1brlB 182 :WAAKLGLPL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46352 Ang NH1(21) at 9.90056 72.0633 51.3567 in (null):R-9999 (3) and CG1(63) at 8.78363 73.3056 53.1672 in (null):V-9999 (9) other bump:3.2554 Ang C(24) at 12.08 65.939 51.375 in (null):R-9999 (3) and N(38) at 9.606 64.422 52.85 in (null):G-9999 (6) Number of specific fragments= 1 total=1846 # 1lucB.179.181 read from T0147_twice.t2k.frag # found chain 1lucB in template set T0147_twice 179 :AVRDAGGWV 1lucB 182 :WAAKLGLPL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70204 Ang CG1(10) at 15.9125 0.741564 28.0914 in (null):V-9999 (2) and O(44) at 15.467 3.37 27.651 in (null):G-9999 (7) other bump:2.16657 Ang O(0) at 12.99 -2.807 32.556 in (null):G-9999 (0) and OD2(30) at 12.9429 -3.08545 34.7041 in (null):D-9999 (4) Number of specific fragments= 1 total=1847 # 1e19A.179.180 read from T0147_twice.t2k.frag # found chain 1e19A in template set T0147_twice 179 :AVRDAGGWV 1e19A 181 :KLVERGVIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28264 Ang O(0) at 32.133 32.731 45.443 in (null):G-9999 (0) and OD2(30) at 34.1143 32.1769 46.4318 in (null):D-9999 (4) Number of specific fragments= 1 total=1848 # 1mla.179.181 read from T0147_twice.t2k.frag # found chain 1mla in training set T0147_twice 179 :AVRDAGGWV 1mla 182 :ACKAAGAKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1849 # 1brlA.180.182 read from T0147_twice.t2k.frag # found chain 1brlA in template set T0147_twice 180 :VRDAGGWVA 1brlA 183 :AAERGLPMI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74162 Ang CG1(5) at 2.74766 80.7933 101.47 in (null):V-9999 (1) and O(39) at 0.193 81.782 101.357 in (null):G-9999 (6) other bump:3.19253 Ang C(19) at 5.534 83.914 104.691 in (null):R-9999 (2) and N(33) at 3.979 85.45 102.364 in (null):G-9999 (5) Number of specific fragments= 1 total=1850 # 1lucA.180.182 read from T0147_twice.t2k.frag # found chain 1lucA in template set T0147_twice 180 :VRDAGGWVA 1lucA 183 :AAERGLPMI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39627 Ang CG1(5) at 61.1845 -9.67329 14.5823 in (null):V-9999 (1) and O(39) at 61.401 -8.511 12.498 in (null):G-9999 (6) Number of specific fragments= 1 total=1851 # 1brlB.180.182 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 180 :VRDAGGWVA 1brlB 183 :AAKLGLPLV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62013 Ang CG2(59) at 8.21861 75.6506 53.4499 in (null):V-9999 (8) and N(62) at 5.977 76.079 54.737 in (null):A-9999 (9) other bump:3.2554 Ang C(19) at 12.08 65.939 51.375 in (null):R-9999 (2) and N(33) at 9.606 64.422 52.85 in (null):G-9999 (5) Number of specific fragments= 1 total=1852 # 1lucB.180.182 read from T0147_twice.t2k.frag # found chain 1lucB in template set T0147_twice 180 :VRDAGGWVA 1lucB 183 :AAKLGLPLV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70204 Ang CG1(5) at 15.9125 0.741566 28.0914 in (null):V-9999 (1) and O(39) at 15.467 3.37 27.651 in (null):G-9999 (6) Number of specific fragments= 1 total=1853 # 1e19A.180.181 read from T0147_twice.t2k.frag # found chain 1e19A in template set T0147_twice 180 :VRDAGGWVA 1e19A 182 :LVERGVIVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1854 # 1gr0A.180.185 read from T0147_twice.t2k.frag # found chain 1gr0A in template set T0147_twice 180 :VRDAGGWVA 1gr0A 186 :FTDARVPIV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89662 Ang CG1(5) at 4.64209 42.6923 16.2348 in (null):V-9999 (1) and C(40) at 5.798 42.517 18.885 in (null):G-9999 (6) other bump:1.72933 Ang CG1(5) at 4.64209 42.6923 16.2348 in (null):V-9999 (1) and O(39) at 5.581 42.706 17.687 in (null):G-9999 (6) Number of specific fragments= 1 total=1855 # 1brlA.181.183 read from T0147_twice.t2k.frag # found chain 1brlA in template set T0147_twice 181 :RDAGGWVAL 1brlA 184 :AERGLPMIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.19253 Ang C(12) at 5.534 83.914 104.691 in (null):R-9999 (1) and N(26) at 3.979 85.45 102.364 in (null):G-9999 (4) Number of specific fragments= 1 total=1856 # 1brlB.181.183 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 181 :RDAGGWVAL 1brlB 184 :AKLGLPLVF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62013 Ang CG2(52) at 8.21861 75.6506 53.4499 in (null):V-9999 (7) and N(55) at 5.977 76.079 54.737 in (null):A-9999 (8) other bump:3.2554 Ang C(12) at 12.08 65.939 51.375 in (null):R-9999 (1) and N(26) at 9.606 64.422 52.85 in (null):G-9999 (4) Number of specific fragments= 1 total=1857 # 1lucB.181.183 read from T0147_twice.t2k.frag # found chain 1lucB in template set T0147_twice 181 :RDAGGWVAL 1lucB 184 :AKLGLPLVF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1858 # 1lucA.181.183 read from T0147_twice.t2k.frag # found chain 1lucA in template set T0147_twice 181 :RDAGGWVAL 1lucA 184 :AERGLPMIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1859 # 1e19A.181.182 read from T0147_twice.t2k.frag # found chain 1e19A in template set T0147_twice 181 :RDAGGWVAL 1e19A 183 :VERGVIVIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1860 # 1gr0A.181.186 read from T0147_twice.t2k.frag # found chain 1gr0A in template set T0147_twice 181 :RDAGGWVAL 1gr0A 187 :TDARVPIVG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.61838 Ang O(58) at 3.836 33.635 14.821 in (null):A-9999 (8) and CD2(65) at 2.46392 34.4498 15.0907 in (null):L-9999 (9) neighbor-bump: 2.56429 Ang C(59) at 4.809 34.006 14.153 in (null):A-9999 (8) and CD2(65) at 2.46392 34.4498 15.0907 in (null):L-9999 (9) other bump:1.61229 Ang CG1(51) at 3.019 37.604 14.635 in (null):V-9999 (7) and CD1(64) at 1.90649 36.6289 13.994 in (null):L-9999 (9) neighbor-bump: 2.22273 Ang O(58) at 3.836 33.635 14.821 in (null):A-9999 (8) and CG(63) at 2.76662 35.3626 13.9198 in (null):L-9999 (9) neighbor-bump: 2.46297 Ang C(59) at 4.809 34.006 14.153 in (null):A-9999 (8) and CG(63) at 2.76662 35.3626 13.9198 in (null):L-9999 (9) other bump:2.3662 Ang CG1(51) at 3.019 37.604 14.635 in (null):V-9999 (7) and CG(63) at 2.76662 35.3626 13.9198 in (null):L-9999 (9) neighbor-bump: 3.14062 Ang N(55) at 5.412 35.693 15.58 in (null):A-9999 (8) and CG(63) at 2.76662 35.3626 13.9198 in (null):L-9999 (9) Number of specific fragments= 1 total=1861 # 1brlA.182.184 read from T0147_twice.t2k.frag # found chain 1brlA in template set T0147_twice 182 :DAGGWVALG 1brlA 185 :ERGLPMILS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.19253 Ang C(1) at 5.534 83.914 104.691 in (null):G-9999 (0) and N(15) at 3.979 85.45 102.364 in (null):G-9999 (3) Number of specific fragments= 1 total=1862 # 1brlB.182.184 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 182 :DAGGWVALG 1brlB 185 :KLGLPLVFR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62013 Ang CG2(41) at 8.21861 75.6506 53.4499 in (null):V-9999 (6) and N(44) at 5.977 76.079 54.737 in (null):A-9999 (7) other bump:3.2554 Ang C(1) at 12.08 65.939 51.375 in (null):G-9999 (0) and N(15) at 9.606 64.422 52.85 in (null):G-9999 (3) Number of specific fragments= 1 total=1863 # 1lucA.182.184 read from T0147_twice.t2k.frag # found chain 1lucA in template set T0147_twice 182 :DAGGWVALG 1lucA 185 :ERGLPMILS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1864 # 1lucB.182.184 read from T0147_twice.t2k.frag # found chain 1lucB in template set T0147_twice 182 :DAGGWVALG 1lucB 185 :KLGLPLVFR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1865 # 1gr0A.182.187 read from T0147_twice.t2k.frag # found chain 1gr0A in template set T0147_twice 182 :DAGGWVALG 1gr0A 188 :DARVPIVGD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.25126 Ang O(47) at 3.836 33.635 14.821 in (null):A-9999 (7) and CD2(54) at 1.74493 34.4689 14.807 in (null):L-9999 (8) other bump:2.0142 Ang CG1(40) at 3.019 37.604 14.635 in (null):V-9999 (6) and CD1(53) at 1.53271 36.6625 13.6544 in (null):L-9999 (8) neighbor-bump: 2.50113 Ang O(47) at 3.836 33.635 14.821 in (null):A-9999 (7) and CG(52) at 2.39477 35.4152 13.8164 in (null):L-9999 (8) other bump:2.41881 Ang CG1(40) at 3.019 37.604 14.635 in (null):V-9999 (6) and CG(52) at 2.39477 35.4152 13.8164 in (null):L-9999 (8) neighbor-bump: 2.81562 Ang C(48) at 4.809 34.006 14.153 in (null):A-9999 (7) and CG(52) at 2.39477 35.4152 13.8164 in (null):L-9999 (8) Number of specific fragments= 1 total=1866 # 1c8bA.182.183 read from T0147_twice.t2k.frag # adding 1c8bA to template set 1c8bA:# found chain 1c8bA in template set T0147_twice 182 :DAGGWVALG 1c8bA 584 :KVNPDFIIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1867 # 1brlA.183.185 read from T0147_twice.t2k.frag # found chain 1brlA in template set T0147_twice 183 :AGGWVALGS 1brlA 186 :RGLPMILSW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1868 # 1brlB.183.185 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 183 :AGGWVALGS 1brlB 186 :LGLPLVFRW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62013 Ang CG2(33) at 8.21861 75.6506 53.4499 in (null):V-9999 (5) and N(36) at 5.977 76.079 54.737 in (null):A-9999 (6) Number of specific fragments= 1 total=1869 # 1lucB.183.185 read from T0147_twice.t2k.frag # found chain 1lucB in template set T0147_twice 183 :AGGWVALGS 1lucB 186 :LGLPLVFRW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1870 # 1c8bA.183.184 read from T0147_twice.t2k.frag # found chain 1c8bA in template set T0147_twice 183 :AGGWVALGS 1c8bA 585 :VNPDFIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1871 # 1lucA.183.185 read from T0147_twice.t2k.frag # found chain 1lucA in template set T0147_twice 183 :AGGWVALGS 1lucA 186 :RGLPMILSW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1872 # 1gr0A.183.188 read from T0147_twice.t2k.frag # found chain 1gr0A in template set T0147_twice 183 :AGGWVALGS 1gr0A 189 :ARVPIVGDD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26219 Ang O(51) at 2.383 30.49 8.531 in (null):G-9999 (8) and CB(55) at 1.10977 28.7019 7.98409 in (null):S-9999 (9) neighbor-bump: 2.50757 Ang C(52) at 1.466 30.804 9.304 in (null):G-9999 (8) and CB(55) at 1.10977 28.7019 7.98409 in (null):S-9999 (9) neighbor-bump: 2.25126 Ang O(39) at 3.836 33.635 14.821 in (null):A-9999 (6) and CD2(46) at 1.74493 34.4689 14.807 in (null):L-9999 (7) other bump:2.0142 Ang CG1(32) at 3.019 37.604 14.635 in (null):V-9999 (5) and CD1(45) at 1.53271 36.6625 13.6544 in (null):L-9999 (7) neighbor-bump: 2.50113 Ang O(39) at 3.836 33.635 14.821 in (null):A-9999 (6) and CG(44) at 2.39477 35.4152 13.8164 in (null):L-9999 (7) other bump:2.41881 Ang CG1(32) at 3.019 37.604 14.635 in (null):V-9999 (5) and CG(44) at 2.39477 35.4152 13.8164 in (null):L-9999 (7) neighbor-bump: 2.81562 Ang C(40) at 4.809 34.006 14.153 in (null):A-9999 (6) and CG(44) at 2.39477 35.4152 13.8164 in (null):L-9999 (7) Number of specific fragments= 1 total=1873 # 1brlA.184.186 read from T0147_twice.t2k.frag # found chain 1brlA in template set T0147_twice 184 :GGWVALGSD 1brlA 187 :GLPMILSWI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1874 # 1c8bA.184.185 read from T0147_twice.t2k.frag # found chain 1c8bA in template set T0147_twice 184 :GGWVALGSD 1c8bA 586 :NPDFIIAID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1875 # 1brlB.184.186 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 184 :GGWVALGSD 1brlB 187 :GLPLVFRWD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62013 Ang CG2(28) at 8.21861 75.6506 53.4499 in (null):V-9999 (4) and N(31) at 5.977 76.079 54.737 in (null):A-9999 (5) Number of specific fragments= 1 total=1876 # 1lucB.184.186 read from T0147_twice.t2k.frag # found chain 1lucB in template set T0147_twice 184 :GGWVALGSD 1lucB 187 :GLPLVFRWD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1877 # 1lucA.184.186 read from T0147_twice.t2k.frag # found chain 1lucA in template set T0147_twice 184 :GGWVALGSD 1lucA 187 :GLPMILSWI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1878 # 1gr0A.184.189 read from T0147_twice.t2k.frag # found chain 1gr0A in template set T0147_twice 184 :GGWVALGSD 1gr0A 190 :RVPIVGDDI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.25126 Ang O(34) at 3.836 33.635 14.821 in (null):A-9999 (5) and CD2(41) at 1.74493 34.4689 14.807 in (null):L-9999 (6) other bump:2.0142 Ang CG1(27) at 3.019 37.604 14.635 in (null):V-9999 (4) and CD1(40) at 1.53271 36.6625 13.6544 in (null):L-9999 (6) neighbor-bump: 2.50113 Ang O(34) at 3.836 33.635 14.821 in (null):A-9999 (5) and CG(39) at 2.39477 35.4152 13.8164 in (null):L-9999 (6) other bump:2.41881 Ang CG1(27) at 3.019 37.604 14.635 in (null):V-9999 (4) and CG(39) at 2.39477 35.4152 13.8164 in (null):L-9999 (6) neighbor-bump: 2.81562 Ang C(35) at 4.809 34.006 14.153 in (null):A-9999 (5) and CG(39) at 2.39477 35.4152 13.8164 in (null):L-9999 (6) Number of specific fragments= 1 total=1879 # 1c8bA.185.186 read from T0147_twice.t2k.frag # found chain 1c8bA in template set T0147_twice 185 :GWVALGSDS 1c8bA 587 :PDFIIAIDA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1880 # 1brlB.185.187 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 185 :GWVALGSDS 1brlB 188 :LPLVFRWDD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62013 Ang CG2(24) at 8.21861 75.6506 53.4499 in (null):V-9999 (3) and N(27) at 5.977 76.079 54.737 in (null):A-9999 (4) Number of specific fragments= 1 total=1881 # 1lucB.185.187 read from T0147_twice.t2k.frag # found chain 1lucB in template set T0147_twice 185 :GWVALGSDS 1lucB 188 :LPLVFRWDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1882 # 1brlA.185.187 read from T0147_twice.t2k.frag # found chain 1brlA in template set T0147_twice 185 :GWVALGSDS 1brlA 188 :LPMILSWII Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1883 # 1dkuA.185.126 read from T0147_twice.t2k.frag # adding 1dkuA to template set 1dkuA:# found chain 1dkuA in template set T0147_twice 185 :GWVALGSDS 1dkuA 126 :ATRVIALDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1884 # 1dkrA.185.126 read from T0147_twice.t2k.frag # adding 1dkrA to template set 1dkrA:# found chain 1dkrA in template set T0147_twice 185 :GWVALGSDS 1dkrA 126 :ATRVIALDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1885 # 1c8bA.186.187 read from T0147_twice.t2k.frag # found chain 1c8bA in template set T0147_twice 186 :WVALGSDSH 1c8bA 588 :DFIIAIDAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1886 # 1dkuA.186.127 read from T0147_twice.t2k.frag # found chain 1dkuA in template set T0147_twice 186 :WVALGSDSH 1dkuA 127 :TRVIALDLH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1887 # 1dkrA.186.127 read from T0147_twice.t2k.frag # found chain 1dkrA in template set T0147_twice 186 :WVALGSDSH 1dkrA 127 :TRVIALDLH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.06288 Ang CD1(6) at 8.48507 68.6557 36.5265 in (null):W-9999 (1) and CG2(20) at 10.9429 67.1489 37.5608 in (null):V-9999 (2) Number of specific fragments= 1 total=1888 # 1et0A.186.186 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 186 :WVALGSDSH 1et0A 207 :VYTPRLDQA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1889 # 1brlB.186.188 read from T0147_twice.t2k.frag # found chain 1brlB in template set T0147_twice 186 :WVALGSDSH 1brlB 189 :PLVFRWDDS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62013 Ang CG2(20) at 8.21861 75.6506 53.4499 in (null):V-9999 (2) and N(23) at 5.977 76.079 54.737 in (null):A-9999 (3) Number of specific fragments= 1 total=1890 # 1hnnA.186.151 read from T0147_twice.t2k.frag # found chain 1hnnA in template set T0147_twice 186 :WVALGSDSH 1hnnA 152 :KRVLPIDVH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79142 Ang CG1(19) at 27.4229 69.19 18.7845 in (null):V-9999 (2) and CD2(33) at 27.283 68.7 21.529 in (null):L-9999 (4) Number of specific fragments= 1 total=1891 # 1c8bA.187.188 read from T0147_twice.t2k.frag # found chain 1c8bA in template set T0147_twice 187 :VALGSDSHT 1c8bA 589 :FIIAIDALA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1892 # 1hnnA.187.152 read from T0147_twice.t2k.frag # found chain 1hnnA in template set T0147_twice 187 :VALGSDSHT 1hnnA 153 :RVLPIDVHQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1893 # 1dkuA.187.128 read from T0147_twice.t2k.frag # found chain 1dkuA in template set T0147_twice 187 :VALGSDSHT 1dkuA 128 :RVIALDLHA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1894 # 1dkrA.187.128 read from T0147_twice.t2k.frag # found chain 1dkrA in template set T0147_twice 187 :VALGSDSHT 1dkrA 128 :RVIALDLHA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1895 # 1et0A.187.187 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 187 :VALGSDSHT 1et0A 208 :YTPRLDQAG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.86549 Ang CG2(59) at -2.38494 11.255 67.5893 in (null):T-9999 (9) and CA(64) at 0.069 12.29 66.532 in (null):G-9999 (10) neighbor-bump: 2.36806 Ang CB(58) at -2.32749 10.5054 68.9061 in (null):T-9999 (9) and N(63) at -0.739 11.567 67.507 in (null):G-9999 (10) neighbor-bump: 1.67728 Ang CG2(59) at -2.38494 11.255 67.5893 in (null):T-9999 (9) and N(63) at -0.739 11.567 67.507 in (null):G-9999 (10) self-bump: 2.19715 Ang CB(58) at -2.32749 10.5054 68.9061 in (null):T-9999 (9) and C(62) at -0.21 10.685 68.348 in (null):T-9999 (9) self-bump: 2.37294 Ang CG2(59) at -2.38494 11.255 67.5893 in (null):T-9999 (9) and C(62) at -0.21 10.685 68.348 in (null):T-9999 (9) self-bump: 1.30853 Ang CA(57) at -1.177 10.034 69.314 in (null):T-9999 (9) and CB(58) at -2.32749 10.5054 68.9061 in (null):T-9999 (9) Number of specific fragments= 1 total=1896 # 1tag.187.189 read from T0147_twice.t2k.frag # found chain 1tag in training set T0147_twice 187 :VALGSDSHT 1tag 216 :CIIFIAALS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1897 # 1c8bA.188.189 read from T0147_twice.t2k.frag # found chain 1c8bA in template set T0147_twice 188 :ALGSDSHTA 1c8bA 590 :IIAIDALAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1898 # 1hnnA.188.153 read from T0147_twice.t2k.frag # found chain 1hnnA in template set T0147_twice 188 :ALGSDSHTA 1hnnA 154 :VLPIDVHQP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1899 # 1dkuA.188.129 read from T0147_twice.t2k.frag # found chain 1dkuA in template set T0147_twice 188 :ALGSDSHTA 1dkuA 129 :VIALDLHAP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1900 # 1dkrA.188.129 read from T0147_twice.t2k.frag # found chain 1dkrA in template set T0147_twice 188 :ALGSDSHTA 1dkrA 129 :VIALDLHAP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1901 # 1et0A.188.188 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 188 :ALGSDSHTA 1et0A 209 :TPRLDQAGV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.18014 Ang O(47) at 0.469 10.179 71.526 in (null):H-9999 (7) and OG1(53) at -0.594857 11.9252 70.7698 in (null):T-9999 (8) Number of specific fragments= 1 total=1902 # 1tag.188.190 read from T0147_twice.t2k.frag # found chain 1tag in training set T0147_twice 188 :ALGSDSHTA 1tag 217 :IIFIAALSA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1903 # 1c8bA.189.190 read from T0147_twice.t2k.frag # found chain 1c8bA in template set T0147_twice 189 :LGSDSHTAF 1c8bA 591 :IAIDALAAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1904 # 1hnnA.189.154 read from T0147_twice.t2k.frag # found chain 1hnnA in template set T0147_twice 189 :LGSDSHTAF 1hnnA 155 :LPIDVHQPQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1905 # 1et0A.189.189 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 189 :LGSDSHTAF 1et0A 210 :PRLDQAGVN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.18014 Ang O(42) at 0.469 10.179 71.526 in (null):H-9999 (6) and OG1(48) at -0.594857 11.9252 70.7698 in (null):T-9999 (7) Number of specific fragments= 1 total=1906 # 1dkrA.189.130 read from T0147_twice.t2k.frag # found chain 1dkrA in template set T0147_twice 189 :LGSDSHTAF 1dkrA 130 :IALDLHAPQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1907 # 1dkuA.189.130 read from T0147_twice.t2k.frag # found chain 1dkuA in template set T0147_twice 189 :LGSDSHTAF 1dkuA 130 :IALDLHAPQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1908 # 1jcrA.189.192 read from T0147_twice.t2k.frag # adding 1jcrA to template set 1jcrA:# found chain 1jcrA in template set T0147_twice 189 :LGSDSHTAF 1jcrA 193 :LNQDAKNYH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1909 # 1c8bA.190.191 read from T0147_twice.t2k.frag # found chain 1c8bA in template set T0147_twice 190 :GSDSHTAFT 1c8bA 592 :AIDALAARS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1910 # 1hnnA.190.155 read from T0147_twice.t2k.frag # found chain 1hnnA in template set T0147_twice 190 :GSDSHTAFT 1hnnA 156 :PIDVHQPQP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.11551 Ang C(19) at 26.156 59.071 30.108 in (null):D-9999 (3) and CG2(62) at 24.1018 60.6883 28.4135 in (null):T-9999 (9) Number of specific fragments= 1 total=1911 # 1jcrA.190.193 read from T0147_twice.t2k.frag # found chain 1jcrA in template set T0147_twice 190 :GSDSHTAFT 1jcrA 194 :NQDAKNYHA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61611 Ang CG2(39) at 115.038 21.2685 38.6396 in (null):T-9999 (6) and OG1(63) at 114.647 21.1692 41.2244 in (null):T-9999 (9) Number of specific fragments= 1 total=1912 # 1et0A.190.190 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 190 :GSDSHTAFT 1et0A 211 :RLDQAGVNG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.18014 Ang O(34) at 0.469 10.179 71.526 in (null):H-9999 (5) and OG1(40) at -0.594857 11.9252 70.7698 in (null):T-9999 (6) Number of specific fragments= 1 total=1913 # 1d8dA.190.193 read from T0147_twice.t2k.frag # adding 1d8dA to template set 1d8dA:# found chain 1d8dA in template set T0147_twice 190 :GSDSHTAFT 1d8dA 194 :NQDAKNYHA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70131 Ang CG2(39) at 114.935 21.1323 38.6043 in (null):T-9999 (6) and OG1(63) at 114.297 20.9824 41.225 in (null):T-9999 (9) Number of specific fragments= 1 total=1914 # 1ft1A.190.193 read from T0147_twice.t2k.frag # adding 1ft1A to template set 1ft1A:# found chain 1ft1A in template set T0147_twice 190 :GSDSHTAFT 1ft1A 194 :NQDAKNYHA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66181 Ang CG2(39) at 57.8377 90.1786 59.2039 in (null):T-9999 (6) and OG1(63) at 56.4838 91.1768 57.141 in (null):T-9999 (9) other bump:2.78182 Ang CG2(39) at 57.8377 90.1786 59.2039 in (null):T-9999 (6) and CB(61) at 57.7169 90.7673 56.4878 in (null):T-9999 (9) Number of specific fragments= 1 total=1915 # 1c8bA.191.192 read from T0147_twice.t2k.frag # found chain 1c8bA in template set T0147_twice 191 :SDSHTAFTM 1c8bA 593 :IDALAARSI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1916 # 1jcrA.191.194 read from T0147_twice.t2k.frag # found chain 1jcrA in template set T0147_twice 191 :SDSHTAFTM 1jcrA 195 :QDAKNYHAW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61611 Ang CG2(35) at 115.038 21.2685 38.6396 in (null):T-9999 (5) and OG1(59) at 114.647 21.1692 41.2244 in (null):T-9999 (8) Number of specific fragments= 1 total=1917 # 1et0A.191.191 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 191 :SDSHTAFTM 1et0A 212 :LDQAGVNGI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.18014 Ang O(30) at 0.469 10.179 71.526 in (null):H-9999 (4) and OG1(36) at -0.594857 11.9252 70.7698 in (null):T-9999 (5) Number of specific fragments= 1 total=1918 # 1hnnA.191.156 read from T0147_twice.t2k.frag # found chain 1hnnA in template set T0147_twice 191 :SDSHTAFTM 1hnnA 157 :IDVHQPQPL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39527 Ang O(6) at 29.156 60.132 27.396 in (null):S-9999 (1) and SD(66) at 29.4801 61.7712 29.1122 in (null):M-9999 (9) other bump:3.01152 Ang CA(9) at 27.522 59.546 29.645 in (null):D-9999 (2) and SD(66) at 29.4801 61.7712 29.1122 in (null):M-9999 (9) other bump:2.7005 Ang CB(10) at 28.272 60.098 30.854 in (null):D-9999 (2) and SD(66) at 29.4801 61.7712 29.1122 in (null):M-9999 (9) other bump:3.03938 Ang CA(3) at 27.705 61.911 26.649 in (null):S-9999 (1) and SD(66) at 29.4801 61.7712 29.1122 in (null):M-9999 (9) other bump:2.2616 Ang C(7) at 28.119 60.785 27.599 in (null):S-9999 (1) and SD(66) at 29.4801 61.7712 29.1122 in (null):M-9999 (9) other bump:2.52159 Ang N(8) at 27.306 60.585 28.638 in (null):D-9999 (2) and SD(66) at 29.4801 61.7712 29.1122 in (null):M-9999 (9) other bump:2.88409 Ang CA(9) at 27.522 59.546 29.645 in (null):D-9999 (2) and CG(65) at 27.9898 62.382 29.8821 in (null):M-9999 (9) other bump:2.4982 Ang CB(10) at 28.272 60.098 30.854 in (null):D-9999 (2) and CG(65) at 27.9898 62.382 29.8821 in (null):M-9999 (9) other bump:2.78919 Ang C(7) at 28.119 60.785 27.599 in (null):S-9999 (1) and CG(65) at 27.9898 62.382 29.8821 in (null):M-9999 (9) other bump:2.2901 Ang N(8) at 27.306 60.585 28.638 in (null):D-9999 (2) and CG(65) at 27.9898 62.382 29.8821 in (null):M-9999 (9) self-bump: 2.19624 Ang CA(56) at 23.424 62.286 30.229 in (null):T-9999 (8) and OG1(59) at 22.5159 61.4864 28.3961 in (null):T-9999 (8) Number of specific fragments= 1 total=1919 # 1d8dA.191.194 read from T0147_twice.t2k.frag # found chain 1d8dA in template set T0147_twice 191 :SDSHTAFTM 1d8dA 195 :QDAKNYHAW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70131 Ang CG2(35) at 114.935 21.1323 38.6043 in (null):T-9999 (5) and OG1(59) at 114.297 20.9824 41.225 in (null):T-9999 (8) Number of specific fragments= 1 total=1920 # 1ft1A.191.194 read from T0147_twice.t2k.frag # found chain 1ft1A in template set T0147_twice 191 :SDSHTAFTM 1ft1A 195 :QDAKNYHAW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6618 Ang CG2(35) at 57.8377 90.1786 59.2039 in (null):T-9999 (5) and OG1(59) at 56.4838 91.1768 57.141 in (null):T-9999 (8) other bump:2.78181 Ang CG2(35) at 57.8377 90.1786 59.2039 in (null):T-9999 (5) and CB(57) at 57.7169 90.7673 56.4878 in (null):T-9999 (8) Number of specific fragments= 1 total=1921 # 1c8bA.192.193 read from T0147_twice.t2k.frag # found chain 1c8bA in template set T0147_twice 192 :DSHTAFTMG 1c8bA 594 :DALAARSIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1922 # 1et0A.192.192 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 192 :DSHTAFTMG 1et0A 213 :DQAGVNGIM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.18014 Ang O(24) at 0.469 10.179 71.526 in (null):H-9999 (3) and OG1(30) at -0.594857 11.9252 70.7698 in (null):T-9999 (4) Number of specific fragments= 1 total=1923 # 1jcrA.192.195 read from T0147_twice.t2k.frag # found chain 1jcrA in template set T0147_twice 192 :DSHTAFTMG 1jcrA 196 :DAKNYHAWQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61611 Ang CG2(29) at 115.038 21.2685 38.6396 in (null):T-9999 (4) and OG1(53) at 114.647 21.1692 41.2244 in (null):T-9999 (7) Number of specific fragments= 1 total=1924 # 1d8dA.192.195 read from T0147_twice.t2k.frag # found chain 1d8dA in template set T0147_twice 192 :DSHTAFTMG 1d8dA 196 :DAKNYHAWQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70131 Ang CG2(29) at 114.935 21.1323 38.6043 in (null):T-9999 (4) and OG1(53) at 114.297 20.9824 41.225 in (null):T-9999 (7) Number of specific fragments= 1 total=1925 # 1ft1A.192.195 read from T0147_twice.t2k.frag # found chain 1ft1A in template set T0147_twice 192 :DSHTAFTMG 1ft1A 196 :DAKNYHAWQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6618 Ang CG2(29) at 57.8377 90.1786 59.2039 in (null):T-9999 (4) and OG1(53) at 56.4838 91.1768 57.141 in (null):T-9999 (7) other bump:2.78181 Ang CG2(29) at 57.8377 90.1786 59.2039 in (null):T-9999 (4) and CB(51) at 57.7169 90.7673 56.4878 in (null):T-9999 (7) Number of specific fragments= 1 total=1926 # 1tag.192.194 read from T0147_twice.t2k.frag # found chain 1tag in training set T0147_twice 192 :DSHTAFTMG 1tag 221 :AALSAYDMV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.34146 Ang CE2(45) at 54.481 -1.541 23.768 in (null):F-9999 (6) and OG1(53) at 55.1914 0.323587 22.5428 in (null):T-9999 (7) neighbor-bump: 2.44919 Ang CD2(43) at 55.317 -0.875 24.675 in (null):F-9999 (6) and OG1(53) at 55.1914 0.323587 22.5428 in (null):T-9999 (7) Number of specific fragments= 1 total=1927 # 1et0A.193.193 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 193 :SHTAFTMGE 1et0A 214 :QAGVNGIMR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49277 Ang OG1(45) at -2.03698 18.757 66.1763 in (null):T-9999 (6) and CB(62) at -1.26042 20.2041 68.0516 in (null):E-9999 (9) neighbor-bump: 2.18014 Ang O(16) at 0.469 10.179 71.526 in (null):H-9999 (2) and OG1(22) at -0.594857 11.9252 70.7698 in (null):T-9999 (3) Number of specific fragments= 1 total=1928 # 1jcrA.193.196 read from T0147_twice.t2k.frag # found chain 1jcrA in template set T0147_twice 193 :SHTAFTMGE 1jcrA 197 :AKNYHAWQH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61611 Ang CG2(21) at 115.038 21.2685 38.6396 in (null):T-9999 (3) and OG1(45) at 114.647 21.1692 41.2244 in (null):T-9999 (6) Number of specific fragments= 1 total=1929 # 1d8dA.193.196 read from T0147_twice.t2k.frag # found chain 1d8dA in template set T0147_twice 193 :SHTAFTMGE 1d8dA 197 :AKNYHAWQH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70131 Ang CG2(21) at 114.935 21.1323 38.6043 in (null):T-9999 (3) and OG1(45) at 114.297 20.9824 41.225 in (null):T-9999 (6) Number of specific fragments= 1 total=1930 # 1bxkA.193.193 read from T0147_twice.t2k.frag # adding 1bxkA to template set 1bxkA:Skipped atom 547, because occupancy 0.5 <= existing 0.500001 Skipped atom 549, because occupancy 0.5 <= existing 0.500001 Skipped atom 551, because occupancy 0.5 <= existing 0.500001 Skipped atom 553, because occupancy 0.5 <= existing 0.500001 Skipped atom 555, because occupancy 0.5 <= existing 0.500001 Skipped atom 1552, because occupancy 0.5 <= existing 0.500001 Skipped atom 1554, because occupancy 0.5 <= existing 0.500001 Skipped atom 1556, because occupancy 0.5 <= existing 0.500001 Skipped atom 1558, because occupancy 0.5 <= existing 0.500001 Skipped atom 1560, because occupancy 0.5 <= existing 0.500001 # found chain 1bxkA in template set T0147_twice 193 :SHTAFTMGE 1bxkA 194 :YHFPEKLIP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.06511 Ang ND1(13) at 5.877 19.64 20.215 in (null):H-9999 (2) and OE2(66) at 4.69578 18.1041 19.5006 in (null):E-9999 (9) other bump:1.87469 Ang CB(10) at 6.029 18.243 18.19 in (null):H-9999 (2) and OE2(66) at 4.69578 18.1041 19.5006 in (null):E-9999 (9) other bump:2.21167 Ang CG(11) at 6.636 19.118 19.186 in (null):H-9999 (2) and OE2(66) at 4.69578 18.1041 19.5006 in (null):E-9999 (9) other bump:1.7861 Ang OG1(45) at 7.15134 16.99 22.0974 in (null):T-9999 (6) and OE1(65) at 5.58929 17.5168 21.41 in (null):E-9999 (9) other bump:2.56392 Ang ND1(13) at 5.877 19.64 20.215 in (null):H-9999 (2) and CD(64) at 4.98298 17.241 20.3534 in (null):E-9999 (9) other bump:2.79401 Ang OG1(45) at 7.15134 16.99 22.0974 in (null):T-9999 (6) and CD(64) at 4.98298 17.241 20.3534 in (null):E-9999 (9) other bump:2.60352 Ang CB(10) at 6.029 18.243 18.19 in (null):H-9999 (2) and CD(64) at 4.98298 17.241 20.3534 in (null):E-9999 (9) other bump:2.76014 Ang CG(11) at 6.636 19.118 19.186 in (null):H-9999 (2) and CD(64) at 4.98298 17.241 20.3534 in (null):E-9999 (9) Number of specific fragments= 1 total=1931 # 1c8bA.193.194 read from T0147_twice.t2k.frag # found chain 1c8bA in template set T0147_twice 193 :SHTAFTMGE 1c8bA 595 :ALAARSIER Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1932 # 1afrA.193.193 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 193 :SHTAFTMGE 1afrA 212 :EHGDIKLAQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.43445 Ang O(16) at 64.946 23.251 37.638 in (null):H-9999 (2) and OG1(22) at 65.6707 22.2431 38.3567 in (null):T-9999 (3) neighbor-bump: 2.30108 Ang C(17) at 65.522 24.302 37.34 in (null):H-9999 (2) and OG1(22) at 65.6707 22.2431 38.3567 in (null):T-9999 (3) Number of specific fragments= 1 total=1933 # 1bxkA.194.194 read from T0147_twice.t2k.frag # found chain 1bxkA in template set T0147_twice 194 :HTAFTMGEF 1bxkA 195 :HFPEKLIPL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.87469 Ang CB(4) at 6.029 18.243 18.19 in (null):H-9999 (1) and OE2(60) at 4.69578 18.1041 19.5006 in (null):E-9999 (8) other bump:2.21167 Ang CG(5) at 6.636 19.118 19.186 in (null):H-9999 (1) and OE2(60) at 4.69578 18.1041 19.5006 in (null):E-9999 (8) other bump:2.06512 Ang ND1(7) at 5.877 19.64 20.215 in (null):H-9999 (1) and OE2(60) at 4.69578 18.1041 19.5006 in (null):E-9999 (8) other bump:1.78611 Ang OG1(39) at 7.15134 16.99 22.0974 in (null):T-9999 (5) and OE1(59) at 5.58928 17.5168 21.4099 in (null):E-9999 (8) other bump:2.79401 Ang OG1(39) at 7.15134 16.99 22.0974 in (null):T-9999 (5) and CD(58) at 4.98298 17.241 20.3534 in (null):E-9999 (8) other bump:2.60352 Ang CB(4) at 6.029 18.243 18.19 in (null):H-9999 (1) and CD(58) at 4.98298 17.241 20.3534 in (null):E-9999 (8) other bump:2.76014 Ang CG(5) at 6.636 19.118 19.186 in (null):H-9999 (1) and CD(58) at 4.98298 17.241 20.3534 in (null):E-9999 (8) other bump:2.56392 Ang ND1(7) at 5.877 19.64 20.215 in (null):H-9999 (1) and CD(58) at 4.98298 17.241 20.3534 in (null):E-9999 (8) Number of specific fragments= 1 total=1934 # 1jcrA.194.197 read from T0147_twice.t2k.frag # found chain 1jcrA in template set T0147_twice 194 :HTAFTMGEF 1jcrA 198 :KNYHAWQHR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61611 Ang CG2(15) at 115.038 21.2685 38.6396 in (null):T-9999 (2) and OG1(39) at 114.647 21.1692 41.2244 in (null):T-9999 (5) Number of specific fragments= 1 total=1935 # 1afrA.194.194 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 194 :HTAFTMGEF 1afrA 213 :HGDIKLAQI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.43445 Ang O(10) at 64.946 23.251 37.638 in (null):H-9999 (1) and OG1(16) at 65.6707 22.2431 38.3567 in (null):T-9999 (2) neighbor-bump: 2.30108 Ang C(11) at 65.522 24.302 37.34 in (null):H-9999 (1) and OG1(16) at 65.6707 22.2431 38.3567 in (null):T-9999 (2) Number of specific fragments= 1 total=1936 # 1et0A.194.194 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 194 :HTAFTMGEF 1et0A 215 :AGVNGIMRQ Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09747 Ang CA(25) at 1.751 15.603 67.295 in (null):F-9999 (4) and CZ(71) at 3.67961 18.0238 67.415 in (null):F-9999 (9) other bump:2.34384 Ang CB(26) at 3.04476 15.8403 67.983 in (null):F-9999 (4) and CZ(71) at 3.67961 18.0238 67.415 in (null):F-9999 (9) other bump:1.71138 Ang CG(27) at 3.15322 17.1206 68.77 in (null):F-9999 (4) and CZ(71) at 3.67961 18.0238 67.415 in (null):F-9999 (9) other bump:3.02095 Ang C(34) at 1.416 16.511 66.106 in (null):F-9999 (4) and CZ(71) at 3.67961 18.0238 67.415 in (null):F-9999 (9) other bump:0.924307 Ang CD1(28) at 3.18061 18.3497 68.1215 in (null):F-9999 (4) and CZ(71) at 3.67961 18.0238 67.415 in (null):F-9999 (9) other bump:2.14039 Ang CE1(30) at 3.27828 19.5531 68.8577 in (null):F-9999 (4) and CZ(71) at 3.67961 18.0238 67.415 in (null):F-9999 (9) other bump:2.81215 Ang CG(27) at 3.15322 17.1206 68.77 in (null):F-9999 (4) and CE2(70) at 2.99358 18.4885 66.3182 in (null):F-9999 (9) other bump:2.03459 Ang O(33) at 2.288 16.867 65.312 in (null):F-9999 (4) and CE2(70) at 2.99358 18.4885 66.3182 in (null):F-9999 (9) other bump:2.53857 Ang C(34) at 1.416 16.511 66.106 in (null):F-9999 (4) and CE2(70) at 2.99358 18.4885 66.3182 in (null):F-9999 (9) other bump:3.13964 Ang C(41) at 0.397 19.01 64.632 in (null):T-9999 (5) and CE2(70) at 2.99358 18.4885 66.3182 in (null):F-9999 (9) other bump:1.81834 Ang CD1(28) at 3.18061 18.3497 68.1215 in (null):F-9999 (4) and CE2(70) at 2.99358 18.4885 66.3182 in (null):F-9999 (9) other bump:2.76838 Ang CE1(30) at 3.27828 19.5531 68.8577 in (null):F-9999 (4) and CE2(70) at 2.99358 18.4885 66.3182 in (null):F-9999 (9) other bump:2.44429 Ang O(40) at 0.974 19.621 65.535 in (null):T-9999 (5) and CE2(70) at 2.99358 18.4885 66.3182 in (null):F-9999 (9) other bump:2.18601 Ang CG(27) at 3.15322 17.1206 68.77 in (null):F-9999 (4) and CE1(69) at 4.26958 18.9384 68.2925 in (null):F-9999 (9) other bump:2.8298 Ang CD2(29) at 3.22091 17.0917 70.1627 in (null):F-9999 (4) and CE1(69) at 4.26958 18.9384 68.2925 in (null):F-9999 (9) other bump:1.24964 Ang CD1(28) at 3.18061 18.3497 68.1215 in (null):F-9999 (4) and CE1(69) at 4.26958 18.9384 68.2925 in (null):F-9999 (9) other bump:1.29618 Ang CE1(30) at 3.27828 19.5531 68.8577 in (null):F-9999 (4) and CE1(69) at 4.26958 18.9384 68.2925 in (null):F-9999 (9) other bump:2.85929 Ang CE2(31) at 3.31912 18.2814 70.908 in (null):F-9999 (4) and CE1(69) at 4.26958 18.9384 68.2925 in (null):F-9999 (9) other bump:2.23736 Ang CZ(32) at 3.34673 19.5117 70.2484 in (null):F-9999 (4) and CE1(69) at 4.26958 18.9384 68.2925 in (null):F-9999 (9) other bump:3.00172 Ang C(41) at 0.397 19.01 64.632 in (null):T-9999 (5) and CD2(68) at 2.87234 19.8629 66.1002 in (null):F-9999 (9) other bump:2.54375 Ang CD1(28) at 3.18061 18.3497 68.1215 in (null):F-9999 (4) and CD2(68) at 2.87234 19.8629 66.1002 in (null):F-9999 (9) other bump:1.9954 Ang O(40) at 0.974 19.621 65.535 in (null):T-9999 (5) and CD2(68) at 2.87234 19.8629 66.1002 in (null):F-9999 (9) other bump:2.20588 Ang CD1(28) at 3.18061 18.3497 68.1215 in (null):F-9999 (4) and CD1(67) at 4.15121 20.3297 68.0622 in (null):F-9999 (9) other bump:1.41348 Ang CE1(30) at 3.27828 19.5531 68.8577 in (null):F-9999 (4) and CD1(67) at 4.15121 20.3297 68.0622 in (null):F-9999 (9) other bump:2.46894 Ang CZ(32) at 3.34673 19.5117 70.2484 in (null):F-9999 (4) and CD1(67) at 4.15121 20.3297 68.0622 in (null):F-9999 (9) other bump:2.72709 Ang CD1(28) at 3.18061 18.3497 68.1215 in (null):F-9999 (4) and CG(66) at 3.47749 20.7921 66.9452 in (null):F-9999 (9) other bump:2.28746 Ang CE1(30) at 3.27828 19.5531 68.8577 in (null):F-9999 (4) and CG(66) at 3.47749 20.7921 66.9452 in (null):F-9999 (9) other bump:2.49277 Ang OG1(39) at -2.03698 18.757 66.1763 in (null):T-9999 (5) and CB(56) at -1.26042 20.2041 68.0516 in (null):E-9999 (8) neighbor-bump: 2.18013 Ang O(10) at 0.469 10.179 71.526 in (null):H-9999 (1) and OG1(16) at -0.594854 11.9252 70.7698 in (null):T-9999 (2) neighbor-bump: 2.78297 Ang CD2(6) at -2.91211 7.88571 71.3324 in (null):H-9999 (1) and CG2(15) at -2.52799 10.6366 71.5048 in (null):T-9999 (2) neighbor-bump: 2.77735 Ang CD2(6) at -2.91211 7.88571 71.3324 in (null):H-9999 (1) and N(12) at -0.66 8.897 70.06 in (null):T-9999 (2) Number of specific fragments= 1 total=1937 # 1d8dA.194.197 read from T0147_twice.t2k.frag # found chain 1d8dA in template set T0147_twice 194 :HTAFTMGEF 1d8dA 198 :KNYHAWQHR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70131 Ang CG2(15) at 114.935 21.1323 38.6043 in (null):T-9999 (2) and OG1(39) at 114.297 20.9824 41.225 in (null):T-9999 (5) Number of specific fragments= 1 total=1938 # 1ft1A.194.197 read from T0147_twice.t2k.frag # found chain 1ft1A in template set T0147_twice 194 :HTAFTMGEF 1ft1A 198 :KNYHAWQHR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66179 Ang CG2(15) at 57.8377 90.1786 59.2039 in (null):T-9999 (2) and OG1(39) at 56.4838 91.1768 57.141 in (null):T-9999 (5) other bump:2.78182 Ang CG2(15) at 57.8377 90.1786 59.2039 in (null):T-9999 (2) and CB(37) at 57.7169 90.7673 56.4878 in (null):T-9999 (5) Number of specific fragments= 1 total=1939 # 1bxkA.195.195 read from T0147_twice.t2k.frag # found chain 1bxkA in template set T0147_twice 195 :TAFTMGEFE 1bxkA 196 :FPEKLIPLM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.78611 Ang OG1(29) at 7.15134 16.99 22.0974 in (null):T-9999 (4) and OE1(49) at 5.58928 17.5168 21.4099 in (null):E-9999 (7) other bump:2.79401 Ang OG1(29) at 7.15134 16.99 22.0974 in (null):T-9999 (4) and CD(48) at 4.98298 17.241 20.3534 in (null):E-9999 (7) Number of specific fragments= 1 total=1940 # 1jcrA.195.198 read from T0147_twice.t2k.frag # found chain 1jcrA in template set T0147_twice 195 :TAFTMGEFE 1jcrA 199 :NYHAWQHRQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38952 Ang CA(65) at 115.035 30.925 46.196 in (null):E-9999 (9) and CB(66) at 114.506 31.9015 45.3611 in (null):E-9999 (9) Number of specific fragments= 1 total=1941 # 1afrA.195.195 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 195 :TAFTMGEFE 1afrA 214 :GDIKLAQIC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1942 # 1d8dA.195.198 read from T0147_twice.t2k.frag # found chain 1d8dA in template set T0147_twice 195 :TAFTMGEFE 1d8dA 199 :NYHAWQHRQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3965 Ang CA(65) at 114.853 30.738 46.129 in (null):E-9999 (9) and CB(66) at 114.314 31.7113 45.2848 in (null):E-9999 (9) Number of specific fragments= 1 total=1943 # 1et0A.195.195 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 195 :TAFTMGEFE 1et0A 216 :GVNGIMRQF Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56466 Ang CB(16) at 3.04476 15.8403 67.983 in (null):F-9999 (3) and CZ(61) at 4.25963 18.0833 67.7178 in (null):F-9999 (8) other bump:1.80501 Ang CG(17) at 3.15322 17.1206 68.77 in (null):F-9999 (3) and CZ(61) at 4.25963 18.0833 67.7178 in (null):F-9999 (8) other bump:1.18248 Ang CD1(18) at 3.18061 18.3497 68.1215 in (null):F-9999 (3) and CZ(61) at 4.25963 18.0833 67.7178 in (null):F-9999 (8) other bump:2.83548 Ang CD2(19) at 3.22091 17.0917 70.1627 in (null):F-9999 (3) and CZ(61) at 4.25963 18.0833 67.7178 in (null):F-9999 (8) other bump:2.10307 Ang CE1(20) at 3.27828 19.5531 68.8577 in (null):F-9999 (3) and CZ(61) at 4.25963 18.0833 67.7178 in (null):F-9999 (8) other bump:3.0459 Ang CZ(22) at 3.34673 19.5117 70.2484 in (null):F-9999 (3) and CZ(61) at 4.25963 18.0833 67.7178 in (null):F-9999 (8) other bump:3.11118 Ang CG(17) at 3.15322 17.1206 68.77 in (null):F-9999 (3) and CE2(60) at 4.68504 18.6052 66.5053 in (null):F-9999 (8) other bump:2.22279 Ang CD1(18) at 3.18061 18.3497 68.1215 in (null):F-9999 (3) and CE2(60) at 4.68504 18.6052 66.5053 in (null):F-9999 (8) other bump:2.90026 Ang CE1(20) at 3.27828 19.5531 68.8577 in (null):F-9999 (3) and CE2(60) at 4.68504 18.6052 66.5053 in (null):F-9999 (8) other bump:3.12453 Ang CB(16) at 3.04476 15.8403 67.983 in (null):F-9999 (3) and CE1(59) at 3.51009 18.8712 68.5828 in (null):F-9999 (8) other bump:1.79639 Ang CG(17) at 3.15322 17.1206 68.77 in (null):F-9999 (3) and CE1(59) at 3.51009 18.8712 68.5828 in (null):F-9999 (8) other bump:0.770209 Ang CD1(18) at 3.18061 18.3497 68.1215 in (null):F-9999 (3) and CE1(59) at 3.51009 18.8712 68.5828 in (null):F-9999 (8) other bump:2.3972 Ang CD2(19) at 3.22091 17.0917 70.1627 in (null):F-9999 (3) and CE1(59) at 3.51009 18.8712 68.5828 in (null):F-9999 (8) other bump:0.770979 Ang CE1(20) at 3.27828 19.5531 68.8577 in (null):F-9999 (3) and CE1(59) at 3.51009 18.8712 68.5828 in (null):F-9999 (8) other bump:2.40641 Ang CE2(21) at 3.31912 18.2814 70.908 in (null):F-9999 (3) and CE1(59) at 3.51009 18.8712 68.5828 in (null):F-9999 (8) other bump:1.79199 Ang CZ(22) at 3.34673 19.5117 70.2484 in (null):F-9999 (3) and CE1(59) at 3.51009 18.8712 68.5828 in (null):F-9999 (8) other bump:2.77143 Ang CD1(18) at 3.18061 18.3497 68.1215 in (null):F-9999 (3) and CD2(58) at 4.35403 19.9118 66.1559 in (null):F-9999 (8) other bump:1.83108 Ang CD1(18) at 3.18061 18.3497 68.1215 in (null):F-9999 (3) and CD1(57) at 3.17718 20.1767 68.2443 in (null):F-9999 (8) other bump:0.880515 Ang CE1(20) at 3.27828 19.5531 68.8577 in (null):F-9999 (3) and CD1(57) at 3.17718 20.1767 68.2443 in (null):F-9999 (8) other bump:2.1183 Ang CZ(22) at 3.34673 19.5117 70.2484 in (null):F-9999 (3) and CD1(57) at 3.17718 20.1767 68.2443 in (null):F-9999 (8) other bump:2.63663 Ang CD1(18) at 3.18061 18.3497 68.1215 in (null):F-9999 (3) and CG(56) at 3.60045 20.7082 67.0201 in (null):F-9999 (8) other bump:2.19429 Ang CE1(20) at 3.27828 19.5531 68.8577 in (null):F-9999 (3) and CG(56) at 3.60045 20.7082 67.0201 in (null):F-9999 (8) other bump:2.49277 Ang OG1(29) at -2.03698 18.757 66.1763 in (null):T-9999 (4) and CB(46) at -1.26042 20.2041 68.0516 in (null):E-9999 (7) neighbor-bump: 2.8655 Ang CG2(5) at -2.38494 11.2549 67.5893 in (null):T-9999 (1) and CA(10) at 0.069 12.29 66.532 in (null):A-9999 (2) neighbor-bump: 1.67728 Ang CG2(5) at -2.38494 11.2549 67.5893 in (null):T-9999 (1) and N(9) at -0.739 11.567 67.507 in (null):A-9999 (2) neighbor-bump: 2.36807 Ang CB(4) at -2.32749 10.5054 68.9061 in (null):T-9999 (1) and N(9) at -0.739 11.567 67.507 in (null):A-9999 (2) self-bump: 2.37294 Ang CG2(5) at -2.38494 11.2549 67.5893 in (null):T-9999 (1) and C(8) at -0.21 10.685 68.348 in (null):T-9999 (1) self-bump: 2.19716 Ang CB(4) at -2.32749 10.5054 68.9061 in (null):T-9999 (1) and C(8) at -0.21 10.685 68.348 in (null):T-9999 (1) self-bump: 1.30853 Ang CA(3) at -1.177 10.034 69.314 in (null):T-9999 (1) and CB(4) at -2.32749 10.5054 68.9061 in (null):T-9999 (1) Number of specific fragments= 1 total=1944 # 1ft1A.195.198 read from T0147_twice.t2k.frag # found chain 1ft1A in template set T0147_twice 195 :TAFTMGEFE 1ft1A 199 :NYHAWQHRQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1945 # 1bxkA.196.196 read from T0147_twice.t2k.frag # found chain 1bxkA in template set T0147_twice 196 :AFTMGEFEE 1bxkA 197 :PEKLIPLMI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.78611 Ang OG1(22) at 7.15134 16.99 22.0974 in (null):T-9999 (3) and OE1(42) at 5.58928 17.5168 21.4099 in (null):E-9999 (6) other bump:2.79401 Ang OG1(22) at 7.15134 16.99 22.0974 in (null):T-9999 (3) and CD(41) at 4.98298 17.241 20.3534 in (null):E-9999 (6) Number of specific fragments= 1 total=1946 # 1jcrA.196.199 read from T0147_twice.t2k.frag # found chain 1jcrA in template set T0147_twice 196 :AFTMGEFEE 1jcrA 200 :YHAWQHRQW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1947 # 1afrA.196.196 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 196 :AFTMGEFEE 1afrA 215 :DIKLAQICG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1948 # 1d8dA.196.199 read from T0147_twice.t2k.frag # found chain 1d8dA in template set T0147_twice 196 :AFTMGEFEE 1d8dA 200 :YHAWQHRQW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1949 # 1et0A.196.196 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 196 :AFTMGEFEE 1et0A 217 :VNGIMRQFC Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56466 Ang CB(9) at 3.04476 15.8403 67.983 in (null):F-9999 (2) and CZ(54) at 4.25963 18.0833 67.7178 in (null):F-9999 (7) other bump:1.80501 Ang CG(10) at 3.15322 17.1206 68.77 in (null):F-9999 (2) and CZ(54) at 4.25963 18.0833 67.7178 in (null):F-9999 (7) other bump:2.83548 Ang CD2(12) at 3.22091 17.0917 70.1627 in (null):F-9999 (2) and CZ(54) at 4.25963 18.0833 67.7178 in (null):F-9999 (7) other bump:1.18248 Ang CD1(11) at 3.18061 18.3497 68.1215 in (null):F-9999 (2) and CZ(54) at 4.25963 18.0833 67.7178 in (null):F-9999 (7) other bump:2.10307 Ang CE1(13) at 3.27828 19.5531 68.8577 in (null):F-9999 (2) and CZ(54) at 4.25963 18.0833 67.7178 in (null):F-9999 (7) other bump:3.0459 Ang CZ(15) at 3.34673 19.5117 70.2484 in (null):F-9999 (2) and CZ(54) at 4.25963 18.0833 67.7178 in (null):F-9999 (7) other bump:3.11118 Ang CG(10) at 3.15322 17.1206 68.77 in (null):F-9999 (2) and CE2(53) at 4.68504 18.6052 66.5053 in (null):F-9999 (7) other bump:2.22279 Ang CD1(11) at 3.18061 18.3497 68.1215 in (null):F-9999 (2) and CE2(53) at 4.68504 18.6052 66.5053 in (null):F-9999 (7) other bump:2.90026 Ang CE1(13) at 3.27828 19.5531 68.8577 in (null):F-9999 (2) and CE2(53) at 4.68504 18.6052 66.5053 in (null):F-9999 (7) other bump:3.12453 Ang CB(9) at 3.04476 15.8403 67.983 in (null):F-9999 (2) and CE1(52) at 3.51009 18.8712 68.5828 in (null):F-9999 (7) other bump:1.79639 Ang CG(10) at 3.15322 17.1206 68.77 in (null):F-9999 (2) and CE1(52) at 3.51009 18.8712 68.5828 in (null):F-9999 (7) other bump:2.3972 Ang CD2(12) at 3.22091 17.0917 70.1627 in (null):F-9999 (2) and CE1(52) at 3.51009 18.8712 68.5828 in (null):F-9999 (7) other bump:0.770209 Ang CD1(11) at 3.18061 18.3497 68.1215 in (null):F-9999 (2) and CE1(52) at 3.51009 18.8712 68.5828 in (null):F-9999 (7) other bump:0.770979 Ang CE1(13) at 3.27828 19.5531 68.8577 in (null):F-9999 (2) and CE1(52) at 3.51009 18.8712 68.5828 in (null):F-9999 (7) other bump:2.40641 Ang CE2(14) at 3.31912 18.2814 70.908 in (null):F-9999 (2) and CE1(52) at 3.51009 18.8712 68.5828 in (null):F-9999 (7) other bump:1.79199 Ang CZ(15) at 3.34673 19.5117 70.2484 in (null):F-9999 (2) and CE1(52) at 3.51009 18.8712 68.5828 in (null):F-9999 (7) other bump:2.77143 Ang CD1(11) at 3.18061 18.3497 68.1215 in (null):F-9999 (2) and CD2(51) at 4.35403 19.9118 66.1559 in (null):F-9999 (7) other bump:1.83108 Ang CD1(11) at 3.18061 18.3497 68.1215 in (null):F-9999 (2) and CD1(50) at 3.17718 20.1767 68.2443 in (null):F-9999 (7) other bump:0.880515 Ang CE1(13) at 3.27828 19.5531 68.8577 in (null):F-9999 (2) and CD1(50) at 3.17718 20.1767 68.2443 in (null):F-9999 (7) other bump:2.1183 Ang CZ(15) at 3.34673 19.5117 70.2484 in (null):F-9999 (2) and CD1(50) at 3.17718 20.1767 68.2443 in (null):F-9999 (7) other bump:2.63663 Ang CD1(11) at 3.18061 18.3497 68.1215 in (null):F-9999 (2) and CG(49) at 3.60045 20.7082 67.0201 in (null):F-9999 (7) other bump:2.19429 Ang CE1(13) at 3.27828 19.5531 68.8577 in (null):F-9999 (2) and CG(49) at 3.60045 20.7082 67.0201 in (null):F-9999 (7) other bump:2.49277 Ang OG1(22) at -2.03698 18.757 66.1763 in (null):T-9999 (3) and CB(39) at -1.26042 20.2041 68.0516 in (null):E-9999 (6) Number of specific fragments= 1 total=1950 # 1de6A.196.198 read from T0147_twice.t2k.frag # adding 1de6A to template set 1de6A:# found chain 1de6A in template set T0147_twice 196 :AFTMGEFEE 1de6A 200 :DITVDRLAP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1951 # 1jcrA.197.200 read from T0147_twice.t2k.frag # found chain 1jcrA in template set T0147_twice 197 :FTMGEFEEC 1jcrA 201 :HAWQHRQWV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1952 # 1d8dA.197.200 read from T0147_twice.t2k.frag # found chain 1d8dA in template set T0147_twice 197 :FTMGEFEEC 1d8dA 201 :HAWQHRQWV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1953 # 1de6A.197.199 read from T0147_twice.t2k.frag # found chain 1de6A in template set T0147_twice 197 :FTMGEFEEC 1de6A 201 :ITVDRLAPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1954 # 1d8wA.197.199 read from T0147_twice.t2k.frag # found chain 1d8wA in template set T0147_twice 197 :FTMGEFEEC 1d8wA 201 :ITVDRLAPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1955 # 1ft1A.197.200 read from T0147_twice.t2k.frag # found chain 1ft1A in template set T0147_twice 197 :FTMGEFEEC 1ft1A 201 :HAWQHRQWV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.27742 Ang OE2(38) at 55.4016 92.8868 49.1478 in (null):E-9999 (5) and SG(73) at 56.9863 92.4041 46.3199 in (null):C-9999 (9) Number of specific fragments= 1 total=1956 # 1afrA.197.197 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 197 :FTMGEFEEC 1afrA 216 :IKLAQICGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1957 # 1jcrA.198.201 read from T0147_twice.t2k.frag # found chain 1jcrA in template set T0147_twice 198 :TMGEFEECL 1jcrA 202 :AWQHRQWVI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58447 Ang CE1(36) at 120.242 29.033 45.7087 in (null):F-9999 (5) and CD1(69) at 119.792 30.7833 47.5562 in (null):L-9999 (9) other bump:3.23788 Ang OE2(27) at 113.449 23.3382 49.2781 in (null):E-9999 (4) and SG(62) at 114.415 25.8493 51.0796 in (null):C-9999 (8) Number of specific fragments= 1 total=1958 # 1lrv.198.201 read from T0147_twice.t2k.frag # adding 1lrv to template set 1lrv:# found chain 1lrv in template set T0147_twice 198 :TMGEFEECL 1lrv 202 :LLHDPDWTV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.17399 Ang CA(3) at -4.271 79.339 64.051 in (null):T-9999 (1) and CG(24) at -1.32225 79.9255 63.0336 in (null):E-9999 (4) Number of specific fragments= 1 total=1959 # 1d8dA.198.201 read from T0147_twice.t2k.frag # found chain 1d8dA in template set T0147_twice 198 :TMGEFEECL 1d8dA 202 :AWQHRQWVI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50593 Ang CE1(36) at 120.066 28.8359 45.6642 in (null):F-9999 (5) and CD1(69) at 119.642 30.5246 47.4666 in (null):L-9999 (9) other bump:3.24186 Ang OE2(27) at 113.23 23.1502 49.2318 in (null):E-9999 (4) and SG(62) at 114.297 25.6428 51.0091 in (null):C-9999 (8) Number of specific fragments= 1 total=1960 # 1de6A.198.200 read from T0147_twice.t2k.frag # found chain 1de6A in template set T0147_twice 198 :TMGEFEECL 1de6A 202 :TVDRLAPRQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5951 Ang CE2(37) at 29.8653 49.7801 54.6638 in (null):F-9999 (5) and CD1(69) at 30.5043 49.5352 57.167 in (null):L-9999 (9) other bump:2.98264 Ang CZ(38) at 31.1045 49.3297 54.2526 in (null):F-9999 (5) and CD1(69) at 30.5043 49.5352 57.167 in (null):L-9999 (9) Number of specific fragments= 1 total=1961 # 1d8wA.198.200 read from T0147_twice.t2k.frag # found chain 1d8wA in template set T0147_twice 198 :TMGEFEECL 1d8wA 202 :TVDRLAPRQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56054 Ang CE2(37) at 29.7561 49.7433 54.8303 in (null):F-9999 (5) and CD1(69) at 30.4673 49.6848 57.2894 in (null):L-9999 (9) other bump:2.88027 Ang CZ(38) at 31.0001 49.2473 54.4929 in (null):F-9999 (5) and CD1(69) at 30.4673 49.6848 57.2894 in (null):L-9999 (9) Number of specific fragments= 1 total=1962 # 1ft1A.198.201 read from T0147_twice.t2k.frag # found chain 1ft1A in template set T0147_twice 198 :TMGEFEECL 1ft1A 202 :AWQHRQWVI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74713 Ang CE1(36) at 64.751 91.451 50.2318 in (null):F-9999 (5) and CD1(69) at 64.694 90.6579 47.6023 in (null):L-9999 (9) other bump:3.27742 Ang OE2(27) at 55.4016 92.8868 49.1478 in (null):E-9999 (4) and SG(62) at 56.9863 92.4041 46.3199 in (null):C-9999 (8) Number of specific fragments= 1 total=1963 # 1lrv.199.202 read from T0147_twice.t2k.frag # found chain 1lrv in template set T0147_twice 199 :MGEFEECLK 1lrv 203 :LHDPDWTVR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39907 Ang OE1(48) at -2.39253 85.4255 55.4002 in (null):E-9999 (6) and NZ(72) at -3.62431 86.1639 57.3219 in (null):K-9999 (9) Number of specific fragments= 1 total=1964 # 1jcrA.199.202 read from T0147_twice.t2k.frag # found chain 1jcrA in template set T0147_twice 199 :MGEFEECLK 1jcrA 203 :WQHRQWVIQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58447 Ang CE1(29) at 120.242 29.033 45.7087 in (null):F-9999 (4) and CD1(62) at 119.792 30.7833 47.5562 in (null):L-9999 (8) other bump:3.23788 Ang OE2(20) at 113.449 23.3382 49.2781 in (null):E-9999 (3) and SG(55) at 114.415 25.8493 51.0796 in (null):C-9999 (7) Number of specific fragments= 1 total=1965 # 1d8dA.199.202 read from T0147_twice.t2k.frag # found chain 1d8dA in template set T0147_twice 199 :MGEFEECLK 1d8dA 203 :WQHRQWVIQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50592 Ang CE1(29) at 120.066 28.8359 45.6642 in (null):F-9999 (4) and CD1(62) at 119.642 30.5246 47.4666 in (null):L-9999 (8) other bump:3.24186 Ang OE2(20) at 113.23 23.1502 49.2318 in (null):E-9999 (3) and SG(55) at 114.297 25.6428 51.0091 in (null):C-9999 (7) Number of specific fragments= 1 total=1966 # 1d8wA.199.201 read from T0147_twice.t2k.frag # found chain 1d8wA in template set T0147_twice 199 :MGEFEECLK 1d8wA 203 :VDRLAPRQR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17488 Ang CD(38) at 25.1487 47.5946 61.3799 in (null):E-9999 (5) and NZ(72) at 25.7691 46.3241 63.0325 in (null):K-9999 (9) other bump:1.977 Ang OE1(39) at 24.7872 46.3933 61.318 in (null):E-9999 (5) and NZ(72) at 25.7691 46.3241 63.0325 in (null):K-9999 (9) other bump:2.0627 Ang OE2(40) at 25.2862 48.2399 62.4398 in (null):E-9999 (5) and NZ(72) at 25.7691 46.3241 63.0325 in (null):K-9999 (9) other bump:2.56054 Ang CE2(30) at 29.7561 49.7433 54.8303 in (null):F-9999 (4) and CD1(62) at 30.4673 49.6848 57.2894 in (null):L-9999 (8) other bump:2.88026 Ang CZ(31) at 31.0001 49.2473 54.4929 in (null):F-9999 (4) and CD1(62) at 30.4673 49.6848 57.2894 in (null):L-9999 (8) Number of specific fragments= 1 total=1967 # 1de6A.199.201 read from T0147_twice.t2k.frag # found chain 1de6A in template set T0147_twice 199 :MGEFEECLK 1de6A 203 :VDRLAPRQR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.95217 Ang CD(38) at 25.6232 47.6112 61.2714 in (null):E-9999 (5) and NZ(72) at 26.1346 46.3229 62.6462 in (null):K-9999 (9) other bump:1.65346 Ang OE1(39) at 25.2774 46.4043 61.2346 in (null):E-9999 (5) and NZ(72) at 26.1346 46.3229 62.6462 in (null):K-9999 (9) other bump:2.01068 Ang OE2(40) at 25.7745 48.2738 62.3187 in (null):E-9999 (5) and NZ(72) at 26.1346 46.3229 62.6462 in (null):K-9999 (9) other bump:2.59511 Ang CE2(30) at 29.8653 49.7801 54.6638 in (null):F-9999 (4) and CD1(62) at 30.5043 49.5352 57.167 in (null):L-9999 (8) other bump:2.98265 Ang CZ(31) at 31.1045 49.3297 54.2526 in (null):F-9999 (4) and CD1(62) at 30.5043 49.5352 57.167 in (null):L-9999 (8) Number of specific fragments= 1 total=1968 # 1ft1A.199.202 read from T0147_twice.t2k.frag # found chain 1ft1A in template set T0147_twice 199 :MGEFEECLK 1ft1A 203 :WQHRQWVIQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74712 Ang CE1(29) at 64.751 91.451 50.2318 in (null):F-9999 (4) and CD1(62) at 64.694 90.6579 47.6023 in (null):L-9999 (8) other bump:3.27742 Ang OE2(20) at 55.4016 92.8868 49.1478 in (null):E-9999 (3) and SG(55) at 56.9863 92.4041 46.3199 in (null):C-9999 (7) Number of specific fragments= 1 total=1969 # 1lrv.200.203 read from T0147_twice.t2k.frag # found chain 1lrv in template set T0147_twice 200 :GEFEECLKI 1lrv 204 :HDPDWTVRL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39907 Ang OE1(40) at -2.39253 85.4255 55.4002 in (null):E-9999 (5) and NZ(64) at -3.62431 86.1639 57.3219 in (null):K-9999 (8) Number of specific fragments= 1 total=1970 # 1pscA.200.206 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 200 :GEFEECLKI 1pscA 207 :RDGEQQAAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1971 # 1jcrA.200.203 read from T0147_twice.t2k.frag # found chain 1jcrA in template set T0147_twice 200 :GEFEECLKI 1jcrA 204 :QHRQWVIQE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.12376 Ang CD(39) at 109.65 30.4685 50.4401 in (null):E-9999 (5) and CG1(70) at 111.241 31.6097 52.8736 in (null):I-9999 (9) other bump:2.64839 Ang OE2(41) at 109.189 30.5164 51.6062 in (null):E-9999 (5) and CG1(70) at 111.241 31.6097 52.8736 in (null):I-9999 (9) other bump:2.58447 Ang CE1(21) at 120.242 29.033 45.7087 in (null):F-9999 (3) and CD1(54) at 119.792 30.7833 47.5562 in (null):L-9999 (7) other bump:3.23788 Ang OE2(12) at 113.449 23.3382 49.2781 in (null):E-9999 (2) and SG(47) at 114.415 25.8493 51.0796 in (null):C-9999 (6) Number of specific fragments= 1 total=1972 # 1d8wA.200.202 read from T0147_twice.t2k.frag # found chain 1d8wA in template set T0147_twice 200 :GEFEECLKI 1d8wA 204 :DRLAPRQRL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17488 Ang CD(30) at 25.1487 47.5946 61.3799 in (null):E-9999 (4) and NZ(64) at 25.7691 46.3241 63.0325 in (null):K-9999 (8) other bump:1.977 Ang OE1(31) at 24.7872 46.3933 61.318 in (null):E-9999 (4) and NZ(64) at 25.7691 46.3241 63.0325 in (null):K-9999 (8) other bump:2.06269 Ang OE2(32) at 25.2862 48.2399 62.4398 in (null):E-9999 (4) and NZ(64) at 25.7691 46.3241 63.0325 in (null):K-9999 (8) other bump:2.56054 Ang CE2(22) at 29.7561 49.7433 54.8303 in (null):F-9999 (3) and CD1(54) at 30.4673 49.6848 57.2894 in (null):L-9999 (7) other bump:2.88026 Ang CZ(23) at 31.0001 49.2473 54.4929 in (null):F-9999 (3) and CD1(54) at 30.4673 49.6848 57.2894 in (null):L-9999 (7) Number of specific fragments= 1 total=1973 # 1d8dA.200.203 read from T0147_twice.t2k.frag # found chain 1d8dA in template set T0147_twice 200 :GEFEECLKI 1d8dA 204 :QHRQWVIQE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.19137 Ang CD(39) at 109.498 30.2481 50.4016 in (null):E-9999 (5) and CG1(70) at 111.094 31.5247 52.8528 in (null):I-9999 (9) other bump:2.7226 Ang OE2(41) at 109.037 30.2874 51.5679 in (null):E-9999 (5) and CG1(70) at 111.094 31.5247 52.8528 in (null):I-9999 (9) other bump:2.50592 Ang CE1(21) at 120.066 28.8359 45.6642 in (null):F-9999 (3) and CD1(54) at 119.642 30.5246 47.4666 in (null):L-9999 (7) other bump:3.24186 Ang OE2(12) at 113.23 23.1502 49.2318 in (null):E-9999 (2) and SG(47) at 114.297 25.6428 51.0091 in (null):C-9999 (6) Number of specific fragments= 1 total=1974 # 1de6A.200.202 read from T0147_twice.t2k.frag # found chain 1de6A in template set T0147_twice 200 :GEFEECLKI 1de6A 204 :DRLAPRQRL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.95218 Ang CD(30) at 25.6232 47.6112 61.2714 in (null):E-9999 (4) and NZ(64) at 26.1346 46.3229 62.6462 in (null):K-9999 (8) other bump:1.65346 Ang OE1(31) at 25.2774 46.4043 61.2346 in (null):E-9999 (4) and NZ(64) at 26.1346 46.3229 62.6462 in (null):K-9999 (8) other bump:2.0107 Ang OE2(32) at 25.7745 48.2738 62.3187 in (null):E-9999 (4) and NZ(64) at 26.1346 46.3229 62.6462 in (null):K-9999 (8) other bump:2.59511 Ang CE2(22) at 29.8653 49.7801 54.6638 in (null):F-9999 (3) and CD1(54) at 30.5043 49.5352 57.167 in (null):L-9999 (7) other bump:2.98265 Ang CZ(23) at 31.1045 49.3297 54.2526 in (null):F-9999 (3) and CD1(54) at 30.5043 49.5352 57.167 in (null):L-9999 (7) Number of specific fragments= 1 total=1975 # 1lrv.201.204 read from T0147_twice.t2k.frag # found chain 1lrv in template set T0147_twice 201 :EFEECLKIL 1lrv 205 :DPDWTVRLA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39907 Ang OE1(36) at -2.39253 85.4255 55.4002 in (null):E-9999 (4) and NZ(60) at -3.62431 86.1639 57.3219 in (null):K-9999 (7) other bump:2.36777 Ang CD(6) at 0.588041 78.9284 61.1702 in (null):E-9999 (1) and CD1(50) at 1.25392 76.8265 60.307 in (null):L-9999 (6) other bump:2.46501 Ang OE1(7) at -0.442599 78.5996 60.5397 in (null):E-9999 (1) and CD1(50) at 1.25392 76.8265 60.307 in (null):L-9999 (6) other bump:1.71216 Ang OE2(8) at 1.54031 78.1416 61.3653 in (null):E-9999 (1) and CD1(50) at 1.25392 76.8265 60.307 in (null):L-9999 (6) other bump:3.05967 Ang CD(6) at 0.588041 78.9284 61.1702 in (null):E-9999 (1) and CG(49) at 0.398273 76.7168 59.0644 in (null):L-9999 (6) other bump:2.53549 Ang OE1(7) at -0.442599 78.5996 60.5397 in (null):E-9999 (1) and CG(49) at 0.398273 76.7168 59.0644 in (null):L-9999 (6) other bump:2.73499 Ang CD(6) at 0.588041 78.9284 61.1702 in (null):E-9999 (1) and CB(48) at -0.780633 77.6918 59.1508 in (null):L-9999 (6) other bump:1.69334 Ang OE1(7) at -0.442599 78.5996 60.5397 in (null):E-9999 (1) and CB(48) at -0.780633 77.6918 59.1508 in (null):L-9999 (6) Number of specific fragments= 1 total=1976 # 1pscA.201.207 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 201 :EFEECLKIL 1pscA 208 :DGEQQAAIF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22809 Ang SG(43) at 52.8803 3.88015 19.8748 in (null):C-9999 (5) and CD2(76) at 51.611 6.307 18.166 in (null):L-9999 (9) Number of specific fragments= 1 total=1977 # 1jcrA.201.204 read from T0147_twice.t2k.frag # found chain 1jcrA in template set T0147_twice 201 :EFEECLKIL 1jcrA 205 :HRQWVIQEF Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6328 Ang CG(34) at 110.416 29.2262 50.0398 in (null):E-9999 (4) and CD1(68) at 110.471 30.422 52.3848 in (null):I-9999 (8) other bump:2.11176 Ang CD(35) at 109.65 30.4685 50.4401 in (null):E-9999 (4) and CD1(68) at 110.471 30.422 52.3848 in (null):I-9999 (8) other bump:1.50336 Ang OE2(37) at 109.189 30.5164 51.6062 in (null):E-9999 (4) and CD1(68) at 110.471 30.422 52.3848 in (null):I-9999 (8) other bump:3.13955 Ang CD(35) at 109.65 30.4685 50.4401 in (null):E-9999 (4) and CG1(66) at 111.197 31.6593 52.8983 in (null):I-9999 (8) other bump:2.64764 Ang OE2(37) at 109.189 30.5164 51.6062 in (null):E-9999 (4) and CG1(66) at 111.197 31.6593 52.8983 in (null):I-9999 (8) other bump:2.58447 Ang CE1(17) at 120.242 29.033 45.7087 in (null):F-9999 (2) and CD1(50) at 119.792 30.7833 47.5562 in (null):L-9999 (6) other bump:3.23788 Ang OE2(8) at 113.449 23.3382 49.2781 in (null):E-9999 (1) and SG(43) at 114.415 25.8493 51.0796 in (null):C-9999 (5) Number of specific fragments= 1 total=1978 # 1d8dA.201.204 read from T0147_twice.t2k.frag # found chain 1d8dA in template set T0147_twice 201 :EFEECLKIL 1d8dA 205 :HRQWVIQEF Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11285 Ang CD(35) at 109.498 30.2481 50.4016 in (null):E-9999 (4) and CD1(68) at 110.28 30.3697 52.3609 in (null):I-9999 (8) other bump:1.47617 Ang OE2(37) at 109.037 30.2874 51.5679 in (null):E-9999 (4) and CD1(68) at 110.28 30.3697 52.3609 in (null):I-9999 (8) other bump:3.21109 Ang CD(35) at 109.498 30.2481 50.4016 in (null):E-9999 (4) and CG1(66) at 111.051 31.5774 52.8778 in (null):I-9999 (8) other bump:2.72713 Ang OE2(37) at 109.037 30.2874 51.5679 in (null):E-9999 (4) and CG1(66) at 111.051 31.5774 52.8778 in (null):I-9999 (8) other bump:2.50592 Ang CE1(17) at 120.066 28.8359 45.6642 in (null):F-9999 (2) and CD1(50) at 119.642 30.5246 47.4666 in (null):L-9999 (6) other bump:3.24186 Ang OE2(8) at 113.23 23.1502 49.2318 in (null):E-9999 (1) and SG(43) at 114.297 25.6428 51.0091 in (null):C-9999 (5) Number of specific fragments= 1 total=1979 # 1ft1A.201.204 read from T0147_twice.t2k.frag # found chain 1ft1A in template set T0147_twice 201 :EFEECLKIL 1ft1A 205 :HRQWVIQEF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50104 Ang CD(35) at 55.9963 86.1627 44.2188 in (null):E-9999 (4) and CD1(68) at 55.9867 87.7054 42.2503 in (null):I-9999 (8) other bump:1.75359 Ang OE2(37) at 55.3627 86.3354 43.1497 in (null):E-9999 (4) and CD1(68) at 55.9867 87.7054 42.2503 in (null):I-9999 (8) other bump:2.82146 Ang OE2(37) at 55.3627 86.3354 43.1497 in (null):E-9999 (4) and CG1(66) at 57.2034 87.5002 41.3564 in (null):I-9999 (8) other bump:2.74712 Ang CE1(17) at 64.751 91.451 50.2318 in (null):F-9999 (2) and CD1(50) at 64.694 90.6579 47.6023 in (null):L-9999 (6) other bump:3.27742 Ang OE2(8) at 55.4016 92.8868 49.1478 in (null):E-9999 (1) and SG(43) at 56.9863 92.4041 46.3199 in (null):C-9999 (5) Number of specific fragments= 1 total=1980 # 1d8wA.201.203 read from T0147_twice.t2k.frag # found chain 1d8wA in template set T0147_twice 201 :EFEECLKIL 1d8wA 205 :RLAPRQRLL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17488 Ang CD(26) at 25.1487 47.5946 61.3799 in (null):E-9999 (3) and NZ(60) at 25.7691 46.3241 63.0325 in (null):K-9999 (7) other bump:1.977 Ang OE1(27) at 24.7872 46.3933 61.318 in (null):E-9999 (3) and NZ(60) at 25.7691 46.3241 63.0325 in (null):K-9999 (7) other bump:2.06269 Ang OE2(28) at 25.2862 48.2399 62.4398 in (null):E-9999 (3) and NZ(60) at 25.7691 46.3241 63.0325 in (null):K-9999 (7) other bump:2.56054 Ang CE2(18) at 29.7561 49.7433 54.8303 in (null):F-9999 (2) and CD1(50) at 30.4673 49.6848 57.2894 in (null):L-9999 (6) other bump:2.88026 Ang CZ(19) at 31.0001 49.2473 54.4929 in (null):F-9999 (2) and CD1(50) at 30.4673 49.6848 57.2894 in (null):L-9999 (6) Number of specific fragments= 1 total=1981 # 1lrv.202.205 read from T0147_twice.t2k.frag # found chain 1lrv in template set T0147_twice 202 :FEECLKILD 1lrv 206 :PDWTVRLAA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39907 Ang OE1(27) at -2.39253 85.4255 55.4002 in (null):E-9999 (3) and NZ(51) at -3.62431 86.1639 57.3219 in (null):K-9999 (6) Number of specific fragments= 1 total=1982 # 1pscA.202.208 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 202 :FEECLKILD 1pscA 209 :GEQQAAIFE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22809 Ang SG(34) at 52.8803 3.88015 19.8748 in (null):C-9999 (4) and CD2(67) at 51.611 6.307 18.166 in (null):L-9999 (8) Number of specific fragments= 1 total=1983 # 1jcrA.202.205 read from T0147_twice.t2k.frag # found chain 1jcrA in template set T0147_twice 202 :FEECLKILD 1jcrA 206 :RQWVIQEFR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.69854 Ang C(69) at 117.572 32.153 55.944 in (null):L-9999 (8) and CB(72) at 118.824 34.4809 56.4869 in (null):D-9999 (9) other bump:2.63279 Ang CG(25) at 110.416 29.2262 50.0398 in (null):E-9999 (3) and CD1(59) at 110.471 30.422 52.3848 in (null):I-9999 (7) other bump:2.11177 Ang CD(26) at 109.65 30.4685 50.4401 in (null):E-9999 (3) and CD1(59) at 110.471 30.422 52.3848 in (null):I-9999 (7) other bump:1.50336 Ang OE2(28) at 109.189 30.5164 51.6062 in (null):E-9999 (3) and CD1(59) at 110.471 30.422 52.3848 in (null):I-9999 (7) other bump:3.13955 Ang CD(26) at 109.65 30.4685 50.4401 in (null):E-9999 (3) and CG1(57) at 111.197 31.6593 52.8983 in (null):I-9999 (7) other bump:2.64764 Ang OE2(28) at 109.189 30.5164 51.6062 in (null):E-9999 (3) and CG1(57) at 111.197 31.6593 52.8983 in (null):I-9999 (7) other bump:2.58447 Ang CE1(8) at 120.242 29.033 45.7087 in (null):F-9999 (1) and CD1(41) at 119.792 30.7833 47.5562 in (null):L-9999 (5) Number of specific fragments= 1 total=1984 # 1d8dA.202.205 read from T0147_twice.t2k.frag # found chain 1d8dA in template set T0147_twice 202 :FEECLKILD 1d8dA 206 :RQWVIQEFR Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.68521 Ang C(69) at 117.466 32.024 55.946 in (null):L-9999 (8) and CB(72) at 118.721 34.3345 56.4913 in (null):D-9999 (9) other bump:2.11285 Ang CD(26) at 109.498 30.2481 50.4016 in (null):E-9999 (3) and CD1(59) at 110.28 30.3697 52.3609 in (null):I-9999 (7) other bump:1.47616 Ang OE2(28) at 109.037 30.2874 51.568 in (null):E-9999 (3) and CD1(59) at 110.28 30.3697 52.3609 in (null):I-9999 (7) other bump:3.21108 Ang CD(26) at 109.498 30.2481 50.4016 in (null):E-9999 (3) and CG1(57) at 111.051 31.5774 52.8778 in (null):I-9999 (7) other bump:2.72712 Ang OE2(28) at 109.037 30.2874 51.568 in (null):E-9999 (3) and CG1(57) at 111.051 31.5774 52.8778 in (null):I-9999 (7) other bump:2.50592 Ang CE1(8) at 120.066 28.8359 45.6642 in (null):F-9999 (1) and CD1(41) at 119.642 30.5246 47.4666 in (null):L-9999 (5) Number of specific fragments= 1 total=1985 # 1ft1A.202.205 read from T0147_twice.t2k.frag # found chain 1ft1A in template set T0147_twice 202 :FEECLKILD 1ft1A 206 :RQWVIQEFR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.75359 Ang OE2(28) at 55.3627 86.3354 43.1497 in (null):E-9999 (3) and CD1(59) at 55.9867 87.7054 42.2503 in (null):I-9999 (7) other bump:2.50105 Ang CD(26) at 55.9963 86.1627 44.2189 in (null):E-9999 (3) and CD1(59) at 55.9867 87.7054 42.2503 in (null):I-9999 (7) other bump:2.82147 Ang OE2(28) at 55.3627 86.3354 43.1497 in (null):E-9999 (3) and CG1(57) at 57.2034 87.5002 41.3564 in (null):I-9999 (7) other bump:2.88299 Ang CE2(9) at 64.3569 92.5367 49.7629 in (null):F-9999 (1) and CD1(41) at 64.694 90.6579 47.6023 in (null):L-9999 (5) Number of specific fragments= 1 total=1986 # 1al3.202.203 read from T0147_twice.t2k.frag # adding 1al3 to template set 1al3:Skipped atom 38, because occupancy 0.3 <= existing 0.700001 Skipped atom 40, because occupancy 0.3 <= existing 0.700001 Skipped atom 42, because occupancy 0.3 <= existing 0.700001 Skipped atom 44, because occupancy 0.3 <= existing 0.700001 Skipped atom 46, because occupancy 0.3 <= existing 0.700001 Skipped atom 48, because occupancy 0.3 <= existing 0.700001 Skipped atom 50, because occupancy 0.3 <= existing 0.700001 Skipped atom 52, because occupancy 0.3 <= existing 0.700001 Skipped atom 54, because occupancy 0.3 <= existing 0.700001 Skipped atom 60, because occupancy 0.5 <= existing 0.500001 Skipped atom 62, because occupancy 0.5 <= existing 0.500001 Skipped atom 64, because occupancy 0.5 <= existing 0.500001 Skipped atom 66, because occupancy 0.5 <= existing 0.500001 Skipped atom 68, because occupancy 0.5 <= existing 0.500001 Skipped atom 70, because occupancy 0.5 <= existing 0.500001 Skipped atom 235, because occupancy 0.5 <= existing 0.500001 Skipped atom 237, because occupancy 0.5 <= existing 0.500001 Skipped atom 239, because occupancy 0.5 <= existing 0.500001 Skipped atom 241, because occupancy 0.5 <= existing 0.500001 Skipped atom 243, because occupancy 0.5 <= existing 0.500001 Skipped atom 245, because occupancy 0.5 <= existing 0.500001 Skipped atom 247, because occupancy 0.5 <= existing 0.500001 Skipped atom 249, because occupancy 0.5 <= existing 0.500001 Skipped atom 393, because occupancy 0.5 <= existing 0.500001 Skipped atom 395, because occupancy 0.5 <= existing 0.500001 Skipped atom 397, because occupancy 0.5 <= existing 0.500001 Skipped atom 399, because occupancy 0.5 <= existing 0.500001 Skipped atom 401, because occupancy 0.5 <= existing 0.500001 Skipped atom 403, because occupancy 0.5 <= existing 0.500001 Skipped atom 405, because occupancy 0.5 <= existing 0.500001 Skipped atom 416, because occupancy 0.5 <= existing 0.500001 Skipped atom 418, because occupancy 0.5 <= existing 0.500001 Skipped atom 420, because occupancy 0.5 <= existing 0.500001 Skipped atom 422, because occupancy 0.5 <= existing 0.500001 Skipped atom 424, because occupancy 0.5 <= existing 0.500001 Skipped atom 426, because occupancy 0.5 <= existing 0.500001 Skipped atom 428, because occupancy 0.5 <= existing 0.500001 Skipped atom 430, because occupancy 0.5 <= existing 0.500001 Skipped atom 432, because occupancy 0.5 <= existing 0.500001 Skipped atom 434, because occupancy 0.5 <= existing 0.500001 Skipped atom 436, because occupancy 0.5 <= existing 0.500001 Skipped atom 438, because occupancy 0.5 <= existing 0.500001 Skipped atom 440, because occupancy 0.5 <= existing 0.500001 Skipped atom 571, because occupancy 0.5 <= existing 0.500001 Skipped atom 573, because occupancy 0.5 <= existing 0.500001 Skipped atom 575, because occupancy 0.5 <= existing 0.500001 Skipped atom 577, because occupancy 0.5 <= existing 0.500001 Skipped atom 579, because occupancy 0.5 <= existing 0.500001 Skipped atom 581, because occupancy 0.5 <= existing 0.500001 Skipped atom 583, because occupancy 0.5 <= existing 0.500001 Skipped atom 585, because occupancy 0.5 <= existing 0.500001 Skipped atom 628, because occupancy 0.5 <= existing 0.500001 Skipped atom 630, because occupancy 0.5 <= existing 0.500001 Skipped atom 730, because occupancy 0.5 <= existing 0.500001 Skipped atom 732, because occupancy 0.5 <= existing 0.500001 Skipped atom 734, because occupancy 0.5 <= existing 0.500001 Skipped atom 736, because occupancy 0.5 <= existing 0.500001 Skipped atom 738, because occupancy 0.5 <= existing 0.500001 Skipped atom 740, because occupancy 0.5 <= existing 0.500001 Skipped atom 742, because occupancy 0.5 <= existing 0.500001 Skipped atom 824, because occupancy 0.3 <= existing 0.700001 Skipped atom 826, because occupancy 0.3 <= existing 0.700001 Skipped atom 828, because occupancy 0.3 <= existing 0.700001 Skipped atom 830, because occupancy 0.3 <= existing 0.700001 Skipped atom 832, because occupancy 0.3 <= existing 0.700001 Skipped atom 834, because occupancy 0.3 <= existing 0.700001 Skipped atom 836, because occupancy 0.5 <= existing 0.500001 Skipped atom 838, because occupancy 0.5 <= existing 0.500001 Skipped atom 840, because occupancy 0.5 <= existing 0.500001 Skipped atom 842, because occupancy 0.5 <= existing 0.500001 Skipped atom 844, because occupancy 0.5 <= existing 0.500001 Skipped atom 846, because occupancy 0.5 <= existing 0.500001 Skipped atom 848, because occupancy 0.5 <= existing 0.500001 Skipped atom 895, because occupancy 0.5 <= existing 0.500001 Skipped atom 897, because occupancy 0.5 <= existing 0.500001 Skipped atom 899, because occupancy 0.5 <= existing 0.500001 Skipped atom 901, because occupancy 0.5 <= existing 0.500001 Skipped atom 903, because occupancy 0.5 <= existing 0.500001 Skipped atom 905, because occupancy 0.5 <= existing 0.500001 Skipped atom 907, because occupancy 0.5 <= existing 0.500001 Skipped atom 909, because occupancy 0.5 <= existing 0.500001 Skipped atom 911, because occupancy 0.5 <= existing 0.500001 Skipped atom 1111, because occupancy 0.3 <= existing 0.700001 Skipped atom 1113, because occupancy 0.3 <= existing 0.700001 Skipped atom 1115, because occupancy 0.3 <= existing 0.700001 Skipped atom 1117, because occupancy 0.3 <= existing 0.700001 Skipped atom 1119, because occupancy 0.3 <= existing 0.700001 Skipped atom 1121, because occupancy 0.3 <= existing 0.700001 Skipped atom 1123, because occupancy 0.3 <= existing 0.700001 Skipped atom 1132, because occupancy 0.5 <= existing 0.500001 Skipped atom 1134, because occupancy 0.5 <= existing 0.500001 Skipped atom 1136, because occupancy 0.5 <= existing 0.500001 Skipped atom 1138, because occupancy 0.5 <= existing 0.500001 Skipped atom 1140, because occupancy 0.5 <= existing 0.500001 Skipped atom 1142, because occupancy 0.5 <= existing 0.500001 Skipped atom 1144, because occupancy 0.5 <= existing 0.500001 Skipped atom 1146, because occupancy 0.5 <= existing 0.500001 Skipped atom 1148, because occupancy 0.5 <= existing 0.500001 Skipped atom 1150, because occupancy 0.5 <= existing 0.500001 Skipped atom 1152, because occupancy 0.5 <= existing 0.500001 Skipped atom 1341, because occupancy 0.5 <= existing 0.500001 Skipped atom 1356, because occupancy 0.5 <= existing 0.500001 Skipped atom 1358, because occupancy 0.5 <= existing 0.500001 Skipped atom 1360, because occupancy 0.5 <= existing 0.500001 Skipped atom 1362, because occupancy 0.5 <= existing 0.500001 Skipped atom 1364, because occupancy 0.5 <= existing 0.500001 Skipped atom 1366, because occupancy 0.5 <= existing 0.500001 Skipped atom 1368, because occupancy 0.5 <= existing 0.500001 Skipped atom 1453, because occupancy 0.5 <= existing 0.500001 Skipped atom 1455, because occupancy 0.5 <= existing 0.500001 Skipped atom 1457, because occupancy 0.5 <= existing 0.500001 Skipped atom 1459, because occupancy 0.5 <= existing 0.500001 Skipped atom 1461, because occupancy 0.5 <= existing 0.500001 Skipped atom 1463, because occupancy 0.5 <= existing 0.500001 Skipped atom 1465, because occupancy 0.5 <= existing 0.500001 Skipped atom 1467, because occupancy 0.5 <= existing 0.500001 Skipped atom 1469, because occupancy 0.5 <= existing 0.500001 Skipped atom 1471, because occupancy 0.5 <= existing 0.500001 Skipped atom 1473, because occupancy 0.5 <= existing 0.500001 Skipped atom 1475, because occupancy 0.5 <= existing 0.500001 Skipped atom 1477, because occupancy 0.5 <= existing 0.500001 Skipped atom 1479, because occupancy 0.5 <= existing 0.500001 Skipped atom 1481, because occupancy 0.5 <= existing 0.500001 Skipped atom 1483, because occupancy 0.5 <= existing 0.500001 Skipped atom 1485, because occupancy 0.5 <= existing 0.500001 Skipped atom 1487, because occupancy 0.5 <= existing 0.500001 Skipped atom 1489, because occupancy 0.5 <= existing 0.500001 Skipped atom 1491, because occupancy 0.5 <= existing 0.500001 Skipped atom 1493, because occupancy 0.5 <= existing 0.500001 Skipped atom 1495, because occupancy 0.5 <= existing 0.500001 Skipped atom 1497, because occupancy 0.5 <= existing 0.500001 Skipped atom 1499, because occupancy 0.5 <= existing 0.500001 Skipped atom 1501, because occupancy 0.5 <= existing 0.500001 Skipped atom 1558, because occupancy 0.5 <= existing 0.500001 Skipped atom 1560, because occupancy 0.5 <= existing 0.500001 Skipped atom 1562, because occupancy 0.5 <= existing 0.500001 Skipped atom 1564, because occupancy 0.5 <= existing 0.500001 Skipped atom 1566, because occupancy 0.5 <= existing 0.500001 Skipped atom 1568, because occupancy 0.5 <= existing 0.500001 Skipped atom 1570, because occupancy 0.5 <= existing 0.500001 Skipped atom 1572, because occupancy 0.5 <= existing 0.500001 Skipped atom 1574, because occupancy 0.5 <= existing 0.500001 Skipped atom 1738, because occupancy 0.3 <= existing 0.700001 Skipped atom 1740, because occupancy 0.3 <= existing 0.700001 Skipped atom 1742, because occupancy 0.3 <= existing 0.700001 Skipped atom 1744, because occupancy 0.3 <= existing 0.700001 Skipped atom 1746, because occupancy 0.3 <= existing 0.700001 Skipped atom 1748, because occupancy 0.3 <= existing 0.700001 Skipped atom 1750, because occupancy 0.3 <= existing 0.700001 Skipped atom 1752, because occupancy 0.3 <= existing 0.700001 Skipped atom 1754, because occupancy 0.3 <= existing 0.700001 Skipped atom 1756, because occupancy 0.3 <= existing 0.700001 Skipped atom 1793, because occupancy 0.5 <= existing 0.500001 Skipped atom 1795, because occupancy 0.5 <= existing 0.500001 Skipped atom 1797, because occupancy 0.5 <= existing 0.500001 Skipped atom 1799, because occupancy 0.5 <= existing 0.500001 Skipped atom 1801, because occupancy 0.5 <= existing 0.500001 Skipped atom 1803, because occupancy 0.5 <= existing 0.500001 Skipped atom 1805, because occupancy 0.5 <= existing 0.500001 Skipped atom 1807, because occupancy 0.5 <= existing 0.500001 # found chain 1al3 in template set T0147_twice 202 :FEECLKILD 1al3 204 :RSELDTAFN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1987 # 1lrv.203.206 read from T0147_twice.t2k.frag # found chain 1lrv in template set T0147_twice 203 :EECLKILDA 1lrv 207 :DWTVRLAAV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39907 Ang OE1(16) at -2.39253 85.4255 55.4002 in (null):E-9999 (2) and NZ(40) at -3.62431 86.1639 57.3219 in (null):K-9999 (5) Number of specific fragments= 1 total=1988 # 1pscA.203.209 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 203 :EECLKILDA 1pscA 210 :EQQAAIFES Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22809 Ang SG(23) at 52.8803 3.88015 19.8748 in (null):C-9999 (3) and CD2(56) at 51.611 6.307 18.166 in (null):L-9999 (7) Number of specific fragments= 1 total=1989 # 1jcrA.203.206 read from T0147_twice.t2k.frag # found chain 1jcrA in template set T0147_twice 203 :EECLKILDA 1jcrA 207 :QWVIQEFRL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54845 Ang CD2(31) at 120.374 30.1076 49.8853 in (null):L-9999 (4) and O(70) at 122.223 31.299 51.172 in (null):A-9999 (9) other bump:2.63281 Ang CG(14) at 110.416 29.2262 50.0398 in (null):E-9999 (2) and CD1(48) at 110.471 30.422 52.3848 in (null):I-9999 (6) other bump:2.11177 Ang CD(15) at 109.65 30.4685 50.4401 in (null):E-9999 (2) and CD1(48) at 110.471 30.422 52.3848 in (null):I-9999 (6) other bump:1.50337 Ang OE2(17) at 109.189 30.5164 51.6062 in (null):E-9999 (2) and CD1(48) at 110.471 30.422 52.3848 in (null):I-9999 (6) other bump:3.13956 Ang CD(15) at 109.65 30.4685 50.4401 in (null):E-9999 (2) and CG1(46) at 111.197 31.6593 52.8983 in (null):I-9999 (6) other bump:2.64765 Ang OE2(17) at 109.189 30.5164 51.6062 in (null):E-9999 (2) and CG1(46) at 111.197 31.6593 52.8983 in (null):I-9999 (6) Number of specific fragments= 1 total=1990 # 1d8dA.203.206 read from T0147_twice.t2k.frag # found chain 1d8dA in template set T0147_twice 203 :EECLKILDA 1d8dA 207 :QWVIQEFRL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59432 Ang CD2(31) at 120.249 29.9031 49.8047 in (null):L-9999 (4) and O(70) at 122.083 31.185 51.117 in (null):A-9999 (9) other bump:2.11286 Ang CD(15) at 109.498 30.2482 50.4016 in (null):E-9999 (2) and CD1(48) at 110.28 30.3697 52.3609 in (null):I-9999 (6) other bump:1.47615 Ang OE2(17) at 109.037 30.2874 51.568 in (null):E-9999 (2) and CD1(48) at 110.28 30.3697 52.3609 in (null):I-9999 (6) other bump:3.21108 Ang CD(15) at 109.498 30.2482 50.4016 in (null):E-9999 (2) and CG1(46) at 111.051 31.5774 52.8778 in (null):I-9999 (6) other bump:2.72711 Ang OE2(17) at 109.037 30.2874 51.568 in (null):E-9999 (2) and CG1(46) at 111.051 31.5774 52.8778 in (null):I-9999 (6) Number of specific fragments= 1 total=1991 # 1al3.203.204 read from T0147_twice.t2k.frag # found chain 1al3 in template set T0147_twice 203 :EECLKILDA 1al3 205 :SELDTAFNR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1992 # 1ft1A.203.206 read from T0147_twice.t2k.frag # found chain 1ft1A in template set T0147_twice 203 :EECLKILDA 1ft1A 207 :QWVIQEFRL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50105 Ang CD(15) at 55.9963 86.1627 44.2189 in (null):E-9999 (2) and CD1(48) at 55.9867 87.7054 42.2503 in (null):I-9999 (6) other bump:1.75359 Ang OE2(17) at 55.3627 86.3354 43.1497 in (null):E-9999 (2) and CD1(48) at 55.9867 87.7054 42.2503 in (null):I-9999 (6) other bump:2.82147 Ang OE2(17) at 55.3627 86.3354 43.1497 in (null):E-9999 (2) and CG1(46) at 57.2034 87.5002 41.3564 in (null):I-9999 (6) Number of specific fragments= 1 total=1993 # 1lrv.204.207 read from T0147_twice.t2k.frag # found chain 1lrv in template set T0147_twice 204 :ECLKILDAV 1lrv 208 :WTVRLAAVE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1994 # 1pscA.204.210 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 204 :ECLKILDAV 1pscA 211 :QQAAIFESE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54557 Ang O(48) at 52.02 9.209 13.096 in (null):L-9999 (6) and CG2(67) at 50.7649 7.53026 11.6515 in (null):V-9999 (9) other bump:3.22808 Ang SG(14) at 52.8803 3.88016 19.8748 in (null):C-9999 (2) and CD2(47) at 51.611 6.307 18.166 in (null):L-9999 (6) Number of specific fragments= 1 total=1995 # 2hdhA.204.205 read from T0147_twice.t2k.frag # adding 2hdhA to template set 2hdhA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1961, because occupancy 0.5 <= existing 0.500001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1963, because occupancy 0.5 <= existing 0.500001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1965, because occupancy 0.5 <= existing 0.500001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1967, because occupancy 0.5 <= existing 0.500001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1969, because occupancy 0.5 <= existing 0.500001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1971, because occupancy 0.5 <= existing 0.500001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1973, because occupancy 0.5 <= existing 0.500001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1975, because occupancy 0.5 <= existing 0.500001 # found chain 2hdhA in template set T0147_twice 204 :ECLKILDAV 2hdhA 217 :EAIRLYERG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.25144 Ang OE1(7) at 56.163 47.517 54.052 in (null):E-9999 (1) and CE(30) at 57.7349 46.7594 52.6293 in (null):K-9999 (4) Number of specific fragments= 1 total=1996 # 1al3.204.205 read from T0147_twice.t2k.frag # found chain 1al3 in template set T0147_twice 204 :ECLKILDAV 1al3 206 :ELDTAFNRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1997 # 1jcrA.204.207 read from T0147_twice.t2k.frag # found chain 1jcrA in template set T0147_twice 204 :ECLKILDAV 1jcrA 208 :WVIQEFRLW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54845 Ang CD2(22) at 120.374 30.1076 49.8853 in (null):L-9999 (3) and O(61) at 122.223 31.299 51.172 in (null):A-9999 (8) other bump:2.5681 Ang CG(5) at 110.491 29.2231 50.1138 in (null):E-9999 (1) and CD1(39) at 110.471 30.4221 52.3848 in (null):I-9999 (5) Number of specific fragments= 1 total=1998 # 1d8dA.204.207 read from T0147_twice.t2k.frag # found chain 1d8dA in template set T0147_twice 204 :ECLKILDAV 1d8dA 208 :WVIQEFRLW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59432 Ang CD2(22) at 120.249 29.9031 49.8047 in (null):L-9999 (3) and O(61) at 122.083 31.185 51.117 in (null):A-9999 (8) other bump:2.66721 Ang CG(5) at 110.346 29.0077 50.0686 in (null):E-9999 (1) and CD1(39) at 110.28 30.3697 52.3609 in (null):I-9999 (5) Number of specific fragments= 1 total=1999 # 1pscA.205.211 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 205 :CLKILDAVD 1pscA 212 :QAAIFESEG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22809 Ang SG(5) at 52.8803 3.88015 19.8748 in (null):C-9999 (1) and CD2(38) at 51.611 6.307 18.166 in (null):L-9999 (5) Number of specific fragments= 1 total=2000 # 1lrv.205.208 read from T0147_twice.t2k.frag # found chain 1lrv in template set T0147_twice 205 :CLKILDAVD 1lrv 209 :TVRLAAVEH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2001 # 2hdhA.205.206 read from T0147_twice.t2k.frag # found chain 2hdhA in template set T0147_twice 205 :CLKILDAVD 2hdhA 218 :AIRLYERGD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.53689 Ang C(53) at 62.16 39.816 59.47 in (null):A-9999 (7) and CB(56) at 63.1369 37.7306 60.5343 in (null):V-9999 (8) Number of specific fragments= 1 total=2002 # 1al3.205.206 read from T0147_twice.t2k.frag # found chain 1al3 in template set T0147_twice 205 :CLKILDAVD 1al3 207 :LDTAFNRAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2003 # 1abrA.205.136 read from T0147_twice.t2k.frag # adding 1abrA to template set 1abrA:# found chain 1abrA in template set T0147_twice 205 :CLKILDAVD 1abrA 137 :GISFFRSGG Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32741 Ang CA(26) at 61.109 -13.114 43.859 in (null):I-9999 (4) and OD2(66) at 63.0641 -12.8596 42.6222 in (null):D-9999 (9) other bump:1.6953 Ang CB(27) at 61.3965 -12.6101 42.4463 in (null):I-9999 (4) and OD2(66) at 63.0641 -12.8596 42.6222 in (null):D-9999 (9) other bump:0.687759 Ang CG2(29) at 62.7823 -13.0305 42.0186 in (null):I-9999 (4) and OD2(66) at 63.0641 -12.8596 42.6222 in (null):D-9999 (9) other bump:2.3109 Ang C(32) at 62.28 -12.855 44.796 in (null):I-9999 (4) and OD2(66) at 63.0641 -12.8596 42.6222 in (null):D-9999 (9) other bump:2.30258 Ang CG2(29) at 62.7823 -13.0305 42.0186 in (null):I-9999 (4) and OD1(65) at 63.1716 -14.9769 43.1857 in (null):D-9999 (9) other bump:2.80901 Ang C(32) at 62.28 -12.855 44.796 in (null):I-9999 (4) and OD1(65) at 63.1716 -14.9769 43.1857 in (null):D-9999 (9) other bump:2.73531 Ang CA(26) at 61.109 -13.114 43.859 in (null):I-9999 (4) and CG(64) at 63.6527 -13.8248 43.1473 in (null):D-9999 (9) other bump:2.65651 Ang CB(27) at 61.3965 -12.6101 42.4463 in (null):I-9999 (4) and CG(64) at 63.6527 -13.8248 43.1473 in (null):D-9999 (9) other bump:1.6317 Ang CG2(29) at 62.7823 -13.0305 42.0186 in (null):I-9999 (4) and CG(64) at 63.6527 -13.8248 43.1473 in (null):D-9999 (9) other bump:2.11633 Ang O(31) at 63.024 -13.757 45.167 in (null):I-9999 (4) and CG(64) at 63.6527 -13.8248 43.1473 in (null):D-9999 (9) other bump:2.3543 Ang C(32) at 62.28 -12.855 44.796 in (null):I-9999 (4) and CG(64) at 63.6527 -13.8248 43.1473 in (null):D-9999 (9) other bump:2.45277 Ang O(31) at 63.024 -13.757 45.167 in (null):I-9999 (4) and CB(63) at 65.0189 -13.5656 43.7528 in (null):D-9999 (9) other bump:3.01572 Ang C(32) at 62.28 -12.855 44.796 in (null):I-9999 (4) and CB(63) at 65.0189 -13.5656 43.7528 in (null):D-9999 (9) neighbor-bump: 2.43088 Ang C(53) at 63.352 -16.526 48.146 in (null):A-9999 (7) and CB(56) at 65.562 -17.2946 48.805 in (null):V-9999 (8) neighbor-bump: 2.01416 Ang O(52) at 63.652 -17.711 48.32 in (null):A-9999 (7) and CB(56) at 65.562 -17.2946 48.805 in (null):V-9999 (8) Number of specific fragments= 1 total=2004 # 1jcrA.205.208 read from T0147_twice.t2k.frag # found chain 1jcrA in template set T0147_twice 205 :CLKILDAVD 1jcrA 209 :VIQEFRLWD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54844 Ang CD2(13) at 120.374 30.1076 49.8853 in (null):L-9999 (2) and O(52) at 122.223 31.299 51.172 in (null):A-9999 (7) Number of specific fragments= 1 total=2005 # 1pscA.206.212 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 206 :LKILDAVDF 1pscA 213 :AAIFESEGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2006 # 2hdhA.206.207 read from T0147_twice.t2k.frag # found chain 2hdhA in template set T0147_twice 206 :LKILDAVDF 2hdhA 219 :IRLYERGDA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.53689 Ang C(47) at 62.16 39.816 59.47 in (null):A-9999 (6) and CB(50) at 63.1369 37.7306 60.5343 in (null):V-9999 (7) Number of specific fragments= 1 total=2007 # 1abrA.206.137 read from T0147_twice.t2k.frag # found chain 1abrA in template set T0147_twice 206 :LKILDAVDF 1abrA 138 :ISFFRSGGN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47767 Ang CD1(31) at 64.881 -9.84 44.145 in (null):L-9999 (4) and OD1(59) at 65.5276 -11.5319 42.4544 in (null):D-9999 (8) other bump:3.09707 Ang CG2(23) at 62.7823 -13.0306 42.0186 in (null):I-9999 (3) and CG(58) at 65.7769 -12.7361 42.7515 in (null):D-9999 (8) other bump:2.51059 Ang O(25) at 63.024 -13.757 45.167 in (null):I-9999 (3) and CB(57) at 65.229 -13.2642 44.0724 in (null):D-9999 (8) other bump:3.06393 Ang C(26) at 62.28 -12.855 44.796 in (null):I-9999 (3) and CB(57) at 65.229 -13.2642 44.0724 in (null):D-9999 (8) neighbor-bump: 2.01416 Ang O(46) at 63.652 -17.711 48.32 in (null):A-9999 (6) and CB(50) at 65.562 -17.2946 48.805 in (null):V-9999 (7) neighbor-bump: 2.43088 Ang C(47) at 63.352 -16.526 48.146 in (null):A-9999 (6) and CB(50) at 65.562 -17.2946 48.805 in (null):V-9999 (7) Number of specific fragments= 1 total=2008 # 1lrv.206.209 read from T0147_twice.t2k.frag # found chain 1lrv in template set T0147_twice 206 :LKILDAVDF 1lrv 210 :VRLAAVEHA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.92231 Ang O(46) at -12.199 78.638 57.053 in (null):A-9999 (6) and CE2(70) at -12.4907 80.5294 57.2336 in (null):F-9999 (9) other bump:2.566 Ang C(47) at -10.983 78.476 56.926 in (null):A-9999 (6) and CE2(70) at -12.4907 80.5294 57.2336 in (null):F-9999 (9) other bump:2.70076 Ang CA(44) at -10 79.512 57.469 in (null):A-9999 (6) and CE2(70) at -12.4907 80.5294 57.2336 in (null):F-9999 (9) other bump:3.02386 Ang CB(45) at -9.594 80.514 56.366 in (null):A-9999 (6) and CE2(70) at -12.4907 80.5294 57.2336 in (null):F-9999 (9) other bump:1.96197 Ang O(46) at -12.199 78.638 57.053 in (null):A-9999 (6) and CD2(68) at -12.1432 79.9934 58.4705 in (null):F-9999 (9) other bump:2.4564 Ang C(47) at -10.983 78.476 56.926 in (null):A-9999 (6) and CD2(68) at -12.1432 79.9934 58.4705 in (null):F-9999 (9) other bump:2.41413 Ang CA(44) at -10 79.512 57.469 in (null):A-9999 (6) and CD2(68) at -12.1432 79.9934 58.4705 in (null):F-9999 (9) Number of specific fragments= 1 total=2009 # 1al3.206.207 read from T0147_twice.t2k.frag # found chain 1al3 in template set T0147_twice 206 :LKILDAVDF 1al3 208 :DTAFNRAGL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05062 Ang CG1(51) at 20.4296 32.9823 2.28248 in (null):V-9999 (7) and CZ(71) at 20.4523 30.1306 3.36586 in (null):F-9999 (9) other bump:3.10317 Ang CB(50) at 20.6655 34.1094 1.29385 in (null):V-9999 (7) and CE1(69) at 20.6238 31.2961 2.6027 in (null):F-9999 (9) other bump:1.72728 Ang CG1(51) at 20.4296 32.9823 2.28248 in (null):V-9999 (7) and CE1(69) at 20.6238 31.2961 2.6027 in (null):F-9999 (9) other bump:2.59488 Ang CB(50) at 20.6655 34.1094 1.29385 in (null):V-9999 (7) and CD1(67) at 19.4965 31.9044 2.0041 in (null):F-9999 (9) other bump:1.45266 Ang CG1(51) at 20.4296 32.9823 2.28248 in (null):V-9999 (7) and CD1(67) at 19.4965 31.9044 2.0041 in (null):F-9999 (9) other bump:2.73942 Ang CG1(51) at 20.4296 32.9823 2.28248 in (null):V-9999 (7) and CG(66) at 18.2212 31.3655 2.16847 in (null):F-9999 (9) Number of specific fragments= 1 total=2010 # 1jcrA.206.209 read from T0147_twice.t2k.frag # found chain 1jcrA in template set T0147_twice 206 :LKILDAVDF 1jcrA 210 :IQEFRLWDN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54844 Ang CD2(7) at 120.374 30.1076 49.8853 in (null):L-9999 (1) and O(46) at 122.223 31.299 51.172 in (null):A-9999 (6) Number of specific fragments= 1 total=2011 # 1pscA.207.213 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 207 :KILDAVDFP 1pscA 214 :AIFESEGLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.93166 Ang CE2(62) at 47.4738 9.2925 17.6616 in (null):F-9999 (8) and O(71) at 47.732 12.207 17.845 in (null):P-9999 (9) Number of specific fragments= 1 total=2012 # 2hdhA.207.208 read from T0147_twice.t2k.frag # found chain 2hdhA in template set T0147_twice 207 :KILDAVDFP 2hdhA 220 :RLYERGDAS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.74969 Ang CD1(59) at 53.8608 36.79 64.4811 in (null):F-9999 (8) and CD(70) at 55.0797 34.6431 63.2703 in (null):P-9999 (9) neighbor-bump: 2.53689 Ang C(39) at 62.16 39.816 59.47 in (null):A-9999 (5) and CB(42) at 63.1369 37.7306 60.5343 in (null):V-9999 (6) Number of specific fragments= 1 total=2013 # 1abrA.207.138 read from T0147_twice.t2k.frag # found chain 1abrA in template set T0147_twice 207 :KILDAVDFP 1abrA 139 :SFFRSGGND Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.52488 Ang N(55) at 67.677 -15.629 43.405 in (null):F-9999 (8) and CD(70) at 67.3543 -16.2733 40.9851 in (null):P-9999 (9) other bump:2.47767 Ang CD1(23) at 64.881 -9.84 44.145 in (null):L-9999 (3) and OD1(51) at 65.5276 -11.5319 42.4544 in (null):D-9999 (7) other bump:3.09707 Ang CG2(15) at 62.7823 -13.0305 42.0186 in (null):I-9999 (2) and CG(50) at 65.7769 -12.7361 42.7515 in (null):D-9999 (7) other bump:2.51059 Ang O(17) at 63.024 -13.757 45.167 in (null):I-9999 (2) and CB(49) at 65.229 -13.2642 44.0724 in (null):D-9999 (7) other bump:3.06393 Ang C(18) at 62.28 -12.855 44.796 in (null):I-9999 (2) and CB(49) at 65.229 -13.2642 44.0724 in (null):D-9999 (7) neighbor-bump: 2.01416 Ang O(38) at 63.652 -17.711 48.32 in (null):A-9999 (5) and CB(42) at 65.562 -17.2946 48.805 in (null):V-9999 (6) neighbor-bump: 2.43088 Ang C(39) at 63.352 -16.526 48.146 in (null):A-9999 (5) and CB(42) at 65.562 -17.2946 48.805 in (null):V-9999 (6) Number of specific fragments= 1 total=2014 # 1al3.207.208 read from T0147_twice.t2k.frag # found chain 1al3 in template set T0147_twice 207 :KILDAVDFP 1al3 209 :TAFNRAGLT Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05062 Ang CG1(43) at 20.4296 32.9823 2.28248 in (null):V-9999 (6) and CZ(63) at 20.4523 30.1306 3.36587 in (null):F-9999 (8) other bump:3.10317 Ang CB(42) at 20.6655 34.1094 1.29385 in (null):V-9999 (6) and CE1(61) at 20.6238 31.2961 2.60271 in (null):F-9999 (8) other bump:1.72728 Ang CG1(43) at 20.4296 32.9823 2.28248 in (null):V-9999 (6) and CE1(61) at 20.6238 31.2961 2.60271 in (null):F-9999 (8) other bump:2.59488 Ang CB(42) at 20.6655 34.1094 1.29385 in (null):V-9999 (6) and CD1(59) at 19.4965 31.9044 2.00411 in (null):F-9999 (8) other bump:1.45266 Ang CG1(43) at 20.4296 32.9823 2.28248 in (null):V-9999 (6) and CD1(59) at 19.4965 31.9044 2.00411 in (null):F-9999 (8) other bump:2.73941 Ang CG1(43) at 20.4296 32.9823 2.28248 in (null):V-9999 (6) and CG(58) at 18.2212 31.3655 2.16848 in (null):F-9999 (8) Number of specific fragments= 1 total=2015 # 1lrv.207.210 read from T0147_twice.t2k.frag # found chain 1lrv in template set T0147_twice 207 :KILDAVDFP 1lrv 211 :RLAAVEHAS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.92231 Ang O(38) at -12.199 78.638 57.053 in (null):A-9999 (5) and CE2(62) at -12.4907 80.5294 57.2336 in (null):F-9999 (8) other bump:2.56601 Ang C(39) at -10.983 78.476 56.926 in (null):A-9999 (5) and CE2(62) at -12.4907 80.5294 57.2336 in (null):F-9999 (8) other bump:3.02386 Ang CB(37) at -9.594 80.514 56.366 in (null):A-9999 (5) and CE2(62) at -12.4907 80.5294 57.2336 in (null):F-9999 (8) other bump:2.70076 Ang CA(36) at -10 79.512 57.469 in (null):A-9999 (5) and CE2(62) at -12.4907 80.5294 57.2336 in (null):F-9999 (8) other bump:1.96198 Ang O(38) at -12.199 78.638 57.053 in (null):A-9999 (5) and CD2(60) at -12.1432 79.9934 58.4705 in (null):F-9999 (8) other bump:2.45641 Ang C(39) at -10.983 78.476 56.926 in (null):A-9999 (5) and CD2(60) at -12.1432 79.9934 58.4705 in (null):F-9999 (8) other bump:2.41413 Ang CA(36) at -10 79.512 57.469 in (null):A-9999 (5) and CD2(60) at -12.1432 79.9934 58.4705 in (null):F-9999 (8) Number of specific fragments= 1 total=2016 # 1pot.207.210 read from T0147_twice.t2k.frag # found chain 1pot in training set T0147_twice 207 :KILDAVDFP 1pot 234 :FVARQAGTP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94648 Ang CG1(43) at 77.8298 28.8681 0.155494 in (null):V-9999 (6) and CE2(62) at 80.2051 30.5293 0.684996 in (null):F-9999 (8) other bump:2.21955 Ang O(33) at 78.375 27.001 5.247 in (null):D-9999 (4) and N(47) at 79.616 26.781 3.42 in (null):D-9999 (7) self-bump: 1.39925 Ang CA(28) at 78.131 28.925 6.76 in (null):D-9999 (4) and CB(29) at 78.1256 28.615 8.12446 in (null):D-9999 (4) Number of specific fragments= 1 total=2017 # 1pscA.208.214 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 208 :ILDAVDFPP 1pscA 215 :IFESEGLSP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.93166 Ang CE2(53) at 47.4738 9.2925 17.6616 in (null):F-9999 (7) and O(62) at 47.732 12.207 17.845 in (null):P-9999 (8) Number of specific fragments= 1 total=2018 # 2hdhA.208.209 read from T0147_twice.t2k.frag # found chain 2hdhA in template set T0147_twice 208 :ILDAVDFPP 2hdhA 221 :LYERGDASK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.73537 Ang CD1(50) at 53.8608 36.79 64.4811 in (null):F-9999 (7) and CD(61) at 55.1845 34.7095 63.2972 in (null):P-9999 (8) neighbor-bump: 2.53689 Ang C(30) at 62.16 39.816 59.47 in (null):A-9999 (4) and CB(33) at 63.1369 37.7306 60.5343 in (null):V-9999 (5) Number of specific fragments= 1 total=2019 # 1abrA.208.139 read from T0147_twice.t2k.frag # found chain 1abrA in template set T0147_twice 208 :ILDAVDFPP 1abrA 140 :FFRSGGNDN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.59776 Ang N(46) at 67.677 -15.629 43.405 in (null):F-9999 (7) and CD(61) at 67.3231 -16.2448 40.9062 in (null):P-9999 (8) other bump:2.47767 Ang CD1(14) at 64.881 -9.84 44.145 in (null):L-9999 (2) and OD1(42) at 65.5276 -11.5319 42.4544 in (null):D-9999 (6) other bump:3.06393 Ang C(9) at 62.28 -12.855 44.796 in (null):I-9999 (1) and CB(40) at 65.229 -13.2642 44.0724 in (null):D-9999 (6) other bump:2.51059 Ang O(8) at 63.024 -13.757 45.167 in (null):I-9999 (1) and CB(40) at 65.229 -13.2642 44.0724 in (null):D-9999 (6) neighbor-bump: 2.01416 Ang O(29) at 63.652 -17.711 48.32 in (null):A-9999 (4) and CB(33) at 65.562 -17.2946 48.805 in (null):V-9999 (5) neighbor-bump: 2.43088 Ang C(30) at 63.352 -16.526 48.146 in (null):A-9999 (4) and CB(33) at 65.562 -17.2946 48.805 in (null):V-9999 (5) Number of specific fragments= 1 total=2020 # 1al3.208.209 read from T0147_twice.t2k.frag # found chain 1al3 in template set T0147_twice 208 :ILDAVDFPP 1al3 210 :AFNRAGLTP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05062 Ang CG1(34) at 20.4296 32.9823 2.28248 in (null):V-9999 (5) and CZ(54) at 20.4523 30.1306 3.36587 in (null):F-9999 (7) other bump:3.10317 Ang CB(33) at 20.6655 34.1094 1.29385 in (null):V-9999 (5) and CE1(52) at 20.6238 31.2961 2.60271 in (null):F-9999 (7) other bump:1.72728 Ang CG1(34) at 20.4296 32.9823 2.28248 in (null):V-9999 (5) and CE1(52) at 20.6238 31.2961 2.60271 in (null):F-9999 (7) other bump:2.59488 Ang CB(33) at 20.6655 34.1094 1.29385 in (null):V-9999 (5) and CD1(50) at 19.4965 31.9044 2.00411 in (null):F-9999 (7) other bump:1.45266 Ang CG1(34) at 20.4296 32.9823 2.28248 in (null):V-9999 (5) and CD1(50) at 19.4965 31.9044 2.00411 in (null):F-9999 (7) other bump:2.73941 Ang CG1(34) at 20.4296 32.9823 2.28248 in (null):V-9999 (5) and CG(49) at 18.2212 31.3655 2.16848 in (null):F-9999 (7) Number of specific fragments= 1 total=2021 # 1lrv.208.211 read from T0147_twice.t2k.frag # found chain 1lrv in template set T0147_twice 208 :ILDAVDFPP 1lrv 212 :LAAVEHASL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.92231 Ang O(29) at -12.199 78.638 57.053 in (null):A-9999 (4) and CE2(53) at -12.4907 80.5294 57.2336 in (null):F-9999 (7) other bump:2.70076 Ang CA(27) at -10 79.512 57.469 in (null):A-9999 (4) and CE2(53) at -12.4907 80.5294 57.2336 in (null):F-9999 (7) other bump:2.56601 Ang C(30) at -10.983 78.476 56.926 in (null):A-9999 (4) and CE2(53) at -12.4907 80.5294 57.2336 in (null):F-9999 (7) other bump:3.02386 Ang CB(28) at -9.594 80.514 56.366 in (null):A-9999 (4) and CE2(53) at -12.4907 80.5294 57.2336 in (null):F-9999 (7) other bump:1.96198 Ang O(29) at -12.199 78.638 57.053 in (null):A-9999 (4) and CD2(51) at -12.1432 79.9934 58.4705 in (null):F-9999 (7) other bump:2.41413 Ang CA(27) at -10 79.512 57.469 in (null):A-9999 (4) and CD2(51) at -12.1432 79.9934 58.4705 in (null):F-9999 (7) other bump:2.45641 Ang C(30) at -10.983 78.476 56.926 in (null):A-9999 (4) and CD2(51) at -12.1432 79.9934 58.4705 in (null):F-9999 (7) Number of specific fragments= 1 total=2022 # 1bco.208.208 read from T0147_twice.t2k.frag # adding 1bco to template set 1bco:# found chain 1bco in template set T0147_twice 208 :ILDAVDFPP 1bco 456 :EMCGGKLSF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62748 Ang C(30) at 36.089 24.373 117.301 in (null):A-9999 (4) and CB(33) at 34.4147 24.0498 119.3 in (null):V-9999 (5) Number of specific fragments= 1 total=2023 # 1pscA.209.215 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 209 :LDAVDFPPE 1pscA 216 :FESEGLSPS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13011 Ang CZ(46) at 46.1395 9.08598 17.4741 in (null):F-9999 (6) and CA(73) at 44.742 10.964 19.552 in (null):G-9999 (10) neighbor-bump: 2.93166 Ang CE2(45) at 47.4738 9.2925 17.6616 in (null):F-9999 (6) and O(54) at 47.732 12.207 17.845 in (null):P-9999 (7) Number of specific fragments= 1 total=2024 # 2hdhA.209.210 read from T0147_twice.t2k.frag # found chain 2hdhA in template set T0147_twice 209 :LDAVDFPPE 2hdhA 222 :YERGDASKE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.27163 Ang CE2(45) at 51.6084 36.4361 62.9116 in (null):F-9999 (6) and CA(73) at 50.334 34.556 62.874 in (null):G-9999 (10) other bump:2.27133 Ang CZ(46) at 51.6798 35.8437 64.1738 in (null):F-9999 (6) and CA(73) at 50.334 34.556 62.874 in (null):G-9999 (10) other bump:3.13206 Ang CE2(45) at 51.6084 36.4361 62.9116 in (null):F-9999 (6) and N(72) at 50.778 33.607 61.855 in (null):G-9999 (10) neighbor-bump: 2.73537 Ang CD1(42) at 53.8608 36.79 64.4811 in (null):F-9999 (6) and CD(53) at 55.1845 34.7095 63.2972 in (null):P-9999 (7) neighbor-bump: 2.53689 Ang C(22) at 62.16 39.816 59.47 in (null):A-9999 (3) and CB(25) at 63.1369 37.7306 60.5343 in (null):V-9999 (4) Number of specific fragments= 1 total=2025 # 1abrA.209.140 read from T0147_twice.t2k.frag # found chain 1abrA in template set T0147_twice 209 :LDAVDFPPE 1abrA 141 :FRSGGNDNE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3924 Ang N(56) at 70.426 -13.653 38.513 in (null):P-9999 (8) and CD(60) at 71.4259 -14.6029 38.7043 in (null):P-9999 (8) neighbor-bump: 2.59776 Ang N(38) at 67.677 -15.629 43.405 in (null):F-9999 (6) and CD(53) at 67.3231 -16.2448 40.9062 in (null):P-9999 (7) other bump:2.47767 Ang CD1(6) at 64.881 -9.84 44.145 in (null):L-9999 (1) and OD1(34) at 65.5276 -11.5319 42.4544 in (null):D-9999 (5) other bump:2.51059 Ang O(0) at 63.024 -13.757 45.167 in (null):G-9999 (0) and CB(32) at 65.229 -13.2642 44.0724 in (null):D-9999 (5) other bump:3.06393 Ang C(1) at 62.28 -12.855 44.796 in (null):G-9999 (0) and CB(32) at 65.229 -13.2642 44.0724 in (null):D-9999 (5) neighbor-bump: 2.01416 Ang O(21) at 63.652 -17.711 48.32 in (null):A-9999 (3) and CB(25) at 65.562 -17.2946 48.805 in (null):V-9999 (4) neighbor-bump: 2.43088 Ang C(22) at 63.352 -16.526 48.146 in (null):A-9999 (3) and CB(25) at 65.562 -17.2946 48.805 in (null):V-9999 (4) Number of specific fragments= 1 total=2026 # 1bco.209.209 read from T0147_twice.t2k.frag # found chain 1bco in template set T0147_twice 209 :LDAVDFPPE 1bco 457 :MCGGKLSFD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62748 Ang C(22) at 36.089 24.373 117.301 in (null):A-9999 (3) and CB(25) at 34.4147 24.0498 119.3 in (null):V-9999 (4) Number of specific fragments= 1 total=2027 # 1d2zA.209.37 read from T0147_twice.t2k.frag # adding 1d2zA to template set 1d2zA:Skipped atom 54, because occupancy 0.5 <= existing 0.500001 Skipped atom 56, because occupancy 0.5 <= existing 0.500001 Skipped atom 58, because occupancy 0.5 <= existing 0.500001 Skipped atom 60, because occupancy 0.5 <= existing 0.500001 Skipped atom 62, because occupancy 0.5 <= existing 0.500001 Skipped atom 64, because occupancy 0.5 <= existing 0.500001 Skipped atom 66, because occupancy 0.5 <= existing 0.500001 Skipped atom 68, because occupancy 0.5 <= existing 0.500001 Skipped atom 70, because occupancy 0.5 <= existing 0.500001 Skipped atom 72, because occupancy 0.5 <= existing 0.500001 Skipped atom 74, because occupancy 0.5 <= existing 0.500001 # found chain 1d2zA in template set T0147_twice 209 :LDAVDFPPE 1d2zA 59 :ATAVKLYPD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69976 Ang CG2(27) at 24.542 40.81 33.389 in (null):V-9999 (4) and CZ(46) at 25.8036 39.1946 31.6319 in (null):F-9999 (6) other bump:2.11702 Ang CG2(27) at 24.542 40.81 33.389 in (null):V-9999 (4) and CE1(44) at 25.2595 38.8824 32.8875 in (null):F-9999 (6) other bump:2.93131 Ang CD2(7) at 25.1957 35.6193 32.6726 in (null):L-9999 (1) and CD1(42) at 23.9853 38.2737 32.9585 in (null):F-9999 (6) other bump:2.74172 Ang CA(3) at 24.591 37.046 35.334 in (null):L-9999 (1) and CD1(42) at 23.9853 38.2737 32.9585 in (null):F-9999 (6) other bump:2.63214 Ang CG2(27) at 24.542 40.81 33.389 in (null):V-9999 (4) and CD1(42) at 23.9853 38.2737 32.9585 in (null):F-9999 (6) Number of specific fragments= 1 total=2028 # 1al3.209.210 read from T0147_twice.t2k.frag # found chain 1al3 in template set T0147_twice 209 :LDAVDFPPE 1al3 211 :FNRAGLTPR Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05062 Ang CG1(26) at 20.4296 32.9823 2.28248 in (null):V-9999 (4) and CZ(46) at 20.4523 30.1306 3.36587 in (null):F-9999 (6) other bump:3.10317 Ang CB(25) at 20.6655 34.1094 1.29385 in (null):V-9999 (4) and CE1(44) at 20.6238 31.2961 2.60271 in (null):F-9999 (6) other bump:1.72728 Ang CG1(26) at 20.4296 32.9823 2.28248 in (null):V-9999 (4) and CE1(44) at 20.6238 31.2961 2.60271 in (null):F-9999 (6) other bump:2.59488 Ang CB(25) at 20.6655 34.1094 1.29385 in (null):V-9999 (4) and CD1(42) at 19.4965 31.9044 2.00411 in (null):F-9999 (6) other bump:1.45266 Ang CG1(26) at 20.4296 32.9823 2.28248 in (null):V-9999 (4) and CD1(42) at 19.4965 31.9044 2.00411 in (null):F-9999 (6) other bump:2.73941 Ang CG1(26) at 20.4296 32.9823 2.28248 in (null):V-9999 (4) and CG(41) at 18.2212 31.3655 2.16848 in (null):F-9999 (6) Number of specific fragments= 1 total=2029 # 1pscA.210.216 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 210 :DAVDFPPER 1pscA 217 :ESEGLSPSR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.28765 Ang CE2(37) at 47.4738 9.2925 17.6616 in (null):F-9999 (5) and C(74) at 45.301 9.706 20.094 in (null):R-9999 (9) other bump:2.81981 Ang CZ(38) at 46.1395 9.08598 17.4741 in (null):F-9999 (5) and C(74) at 45.301 9.706 20.094 in (null):R-9999 (9) other bump:2.76173 Ang CZ(38) at 46.1395 9.08598 17.4741 in (null):F-9999 (5) and O(73) at 44.769 8.635 19.829 in (null):R-9999 (9) other bump:2.69305 Ang CE1(36) at 45.6201 9.13161 16.2079 in (null):F-9999 (5) and CB(66) at 44.499 10.724 18.068 in (null):R-9999 (9) other bump:2.39313 Ang CZ(38) at 46.1395 9.08598 17.4741 in (null):F-9999 (5) and CB(66) at 44.499 10.724 18.068 in (null):R-9999 (9) other bump:3.13011 Ang CZ(38) at 46.1395 9.08598 17.4741 in (null):F-9999 (5) and CA(65) at 44.742 10.964 19.552 in (null):R-9999 (9) neighbor-bump: 2.93166 Ang CE2(37) at 47.4738 9.2925 17.6616 in (null):F-9999 (5) and O(46) at 47.732 12.207 17.845 in (null):P-9999 (6) Number of specific fragments= 1 total=2030 # 2hdhA.210.211 read from T0147_twice.t2k.frag # found chain 2hdhA in template set T0147_twice 210 :DAVDFPPER 2hdhA 223 :ERGDASKED Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01381 Ang CE2(37) at 51.6084 36.4361 62.9116 in (null):F-9999 (5) and CA(76) at 50.09 37.551 60.559 in (null):G-9999 (10) other bump:3.21514 Ang CD2(35) at 52.6735 37.2034 62.441 in (null):F-9999 (5) and CA(76) at 50.09 37.551 60.559 in (null):G-9999 (10) other bump:2.02765 Ang CE2(37) at 51.6084 36.4361 62.9116 in (null):F-9999 (5) and N(75) at 50.509 36.317 61.212 in (null):G-9999 (10) other bump:3.21981 Ang CZ(38) at 51.6798 35.8437 64.1738 in (null):F-9999 (5) and N(75) at 50.509 36.317 61.212 in (null):G-9999 (10) other bump:2.64219 Ang CD2(35) at 52.6735 37.2034 62.441 in (null):F-9999 (5) and N(75) at 50.509 36.317 61.212 in (null):G-9999 (10) other bump:1.96534 Ang CE2(37) at 51.6084 36.4361 62.9116 in (null):F-9999 (5) and C(74) at 49.844 35.857 62.268 in (null):R-9999 (9) other bump:2.64623 Ang CZ(38) at 51.6798 35.8437 64.1738 in (null):F-9999 (5) and C(74) at 49.844 35.857 62.268 in (null):R-9999 (9) other bump:3.13825 Ang CD2(35) at 52.6735 37.2034 62.441 in (null):F-9999 (5) and C(74) at 49.844 35.857 62.268 in (null):R-9999 (9) other bump:2.73892 Ang CE2(37) at 51.6084 36.4361 62.9116 in (null):F-9999 (5) and O(73) at 48.874 36.443 62.754 in (null):R-9999 (9) other bump:2.43449 Ang CD(45) at 55.1845 34.7095 63.2972 in (null):P-9999 (6) and NH2(72) at 56.1786 33.291 65.0079 in (null):R-9999 (9) other bump:2.63082 Ang CG(44) at 54.253 33.5517 63.0228 in (null):P-9999 (6) and CZ(70) at 54.9685 33.0481 65.5038 in (null):R-9999 (9) other bump:3.2625 Ang CZ(38) at 51.6798 35.8437 64.1738 in (null):F-9999 (5) and NE(69) at 54.0451 34.0049 65.4654 in (null):R-9999 (9) other bump:2.49302 Ang CG(44) at 54.253 33.5517 63.0228 in (null):P-9999 (6) and NE(69) at 54.0451 34.0049 65.4654 in (null):R-9999 (9) other bump:2.95959 Ang CD1(34) at 53.8608 36.79 64.4811 in (null):F-9999 (5) and NE(69) at 54.0451 34.0049 65.4654 in (null):R-9999 (9) other bump:2.42068 Ang CE1(36) at 52.8048 36.0215 64.9607 in (null):F-9999 (5) and NE(69) at 54.0451 34.0049 65.4654 in (null):R-9999 (9) other bump:2.54865 Ang CD(45) at 55.1845 34.7095 63.2972 in (null):P-9999 (6) and NE(69) at 54.0451 34.0049 65.4654 in (null):R-9999 (9) other bump:2.83964 Ang CZ(38) at 51.6798 35.8437 64.1738 in (null):F-9999 (5) and CD(68) at 52.6836 33.8792 65.9618 in (null):R-9999 (9) other bump:2.36773 Ang CE1(36) at 52.8048 36.0215 64.9607 in (null):F-9999 (5) and CD(68) at 52.6836 33.8792 65.9618 in (null):R-9999 (9) other bump:1.93729 Ang CE2(37) at 51.6084 36.4361 62.9116 in (null):F-9999 (5) and CB(66) at 51.4696 34.7843 63.9143 in (null):R-9999 (9) other bump:1.11079 Ang CZ(38) at 51.6798 35.8437 64.1738 in (null):F-9999 (5) and CB(66) at 51.4696 34.7843 63.9143 in (null):R-9999 (9) other bump:3.07761 Ang CD2(35) at 52.6735 37.2034 62.441 in (null):F-9999 (5) and CB(66) at 51.4696 34.7843 63.9143 in (null):R-9999 (9) other bump:2.09958 Ang CE1(36) at 52.8048 36.0215 64.9607 in (null):F-9999 (5) and CB(66) at 51.4696 34.7843 63.9143 in (null):R-9999 (9) other bump:2.27163 Ang CE2(37) at 51.6084 36.4361 62.9116 in (null):F-9999 (5) and CA(65) at 50.334 34.556 62.874 in (null):R-9999 (9) other bump:2.27133 Ang CZ(38) at 51.6798 35.8437 64.1738 in (null):F-9999 (5) and CA(65) at 50.334 34.556 62.874 in (null):R-9999 (9) other bump:3.13206 Ang CE2(37) at 51.6084 36.4361 62.9116 in (null):F-9999 (5) and N(64) at 50.778 33.607 61.855 in (null):R-9999 (9) neighbor-bump: 2.73537 Ang CD1(34) at 53.8608 36.79 64.4811 in (null):F-9999 (5) and CD(45) at 55.1845 34.7095 63.2972 in (null):P-9999 (6) neighbor-bump: 2.53689 Ang C(14) at 62.16 39.816 59.47 in (null):A-9999 (2) and CB(17) at 63.1369 37.7306 60.5343 in (null):V-9999 (3) Number of specific fragments= 1 total=2031 # 1d2zA.210.38 read from T0147_twice.t2k.frag # found chain 1d2zA in template set T0147_twice 210 :DAVDFPPER 1d2zA 60 :TAVKLYPDQ Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.85351 Ang CD2(35) at 23.8273 38.2916 30.56 in (null):F-9999 (5) and NH2(72) at 24.0739 39.0559 28.8895 in (null):R-9999 (9) other bump:1.88499 Ang CE2(37) at 25.0872 38.9007 30.4714 in (null):F-9999 (5) and NH2(72) at 24.0739 39.0559 28.8895 in (null):R-9999 (9) other bump:2.49734 Ang CD2(35) at 23.8273 38.2916 30.56 in (null):F-9999 (5) and NH1(71) at 21.8896 39.4212 29.462 in (null):R-9999 (9) other bump:2.11593 Ang CD2(35) at 23.8273 38.2916 30.56 in (null):F-9999 (5) and CZ(70) at 22.7967 38.7363 28.7663 in (null):R-9999 (9) other bump:2.86017 Ang CE2(37) at 25.0872 38.9007 30.4714 in (null):F-9999 (5) and CZ(70) at 22.7967 38.7363 28.7663 in (null):R-9999 (9) other bump:2.70757 Ang CD(45) at 19.305 37.9521 29.5142 in (null):P-9999 (6) and CD(68) at 21.1472 37.249 27.6588 in (null):R-9999 (9) other bump:2.69976 Ang CG2(19) at 24.542 40.81 33.389 in (null):V-9999 (3) and CZ(38) at 25.8036 39.1946 31.6319 in (null):F-9999 (5) other bump:2.11702 Ang CG2(19) at 24.542 40.81 33.389 in (null):V-9999 (3) and CE1(36) at 25.2595 38.8824 32.8875 in (null):F-9999 (5) other bump:2.63214 Ang CG2(19) at 24.542 40.81 33.389 in (null):V-9999 (3) and CD1(34) at 23.9853 38.2737 32.9585 in (null):F-9999 (5) Number of specific fragments= 1 total=2032 # 1bco.210.210 read from T0147_twice.t2k.frag # found chain 1bco in template set T0147_twice 210 :DAVDFPPER 1bco 458 :CGGKLSFDD Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40529 Ang CD2(35) at 41.4282 29.8843 115.703 in (null):F-9999 (5) and NH2(72) at 42.5909 30.2482 117.777 in (null):R-9999 (9) other bump:2.22032 Ang CE2(37) at 42.6318 29.1767 115.833 in (null):F-9999 (5) and NH2(72) at 42.5909 30.2482 117.777 in (null):R-9999 (9) other bump:2.70656 Ang N(30) at 38.037 29.204 117.65 in (null):F-9999 (5) and NH1(71) at 40.3409 30.5719 118.033 in (null):R-9999 (9) other bump:2.30215 Ang CA(31) at 38.303 30.457 116.968 in (null):F-9999 (5) and NH1(71) at 40.3409 30.5719 118.033 in (null):R-9999 (9) other bump:2.66115 Ang CD2(35) at 41.4282 29.8843 115.703 in (null):F-9999 (5) and NH1(71) at 40.3409 30.5719 118.033 in (null):R-9999 (9) other bump:2.98529 Ang CG(33) at 40.203 29.2161 115.676 in (null):F-9999 (5) and CZ(70) at 41.531 31.0274 117.643 in (null):R-9999 (9) other bump:2.25378 Ang CD2(35) at 41.4282 29.8843 115.703 in (null):F-9999 (5) and CZ(70) at 41.531 31.0274 117.643 in (null):R-9999 (9) other bump:2.81299 Ang CE2(37) at 42.6318 29.1767 115.833 in (null):F-9999 (5) and CZ(70) at 41.531 31.0274 117.643 in (null):R-9999 (9) other bump:2.76192 Ang CD2(35) at 41.4282 29.8843 115.703 in (null):F-9999 (5) and NE(69) at 41.7045 32.2324 117.131 in (null):R-9999 (9) other bump:2.72107 Ang CG(44) at 38.3895 34.5373 116.241 in (null):P-9999 (6) and CD(68) at 40.6884 33.2433 116.909 in (null):R-9999 (9) other bump:2.24167 Ang CD(45) at 38.4497 33.1508 116.839 in (null):P-9999 (6) and CD(68) at 40.6884 33.2433 116.909 in (null):R-9999 (9) other bump:2.72179 Ang CG(44) at 38.3895 34.5373 116.241 in (null):P-9999 (6) and CG(67) at 41.0181 34.1025 115.685 in (null):R-9999 (9) other bump:2.97242 Ang CD(45) at 38.4497 33.1508 116.839 in (null):P-9999 (6) and CG(67) at 41.0181 34.1025 115.685 in (null):R-9999 (9) neighbor-bump: 2.62748 Ang C(14) at 36.089 24.373 117.301 in (null):A-9999 (2) and CB(17) at 34.4147 24.0498 119.3 in (null):V-9999 (3) Number of specific fragments= 1 total=2033 # 1abrA.210.141 read from T0147_twice.t2k.frag # found chain 1abrA in template set T0147_twice 210 :DAVDFPPER 1abrA 142 :RSGGNDNEE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3924 Ang N(48) at 70.426 -13.653 38.513 in (null):P-9999 (7) and CD(52) at 71.4259 -14.6029 38.7043 in (null):P-9999 (7) neighbor-bump: 2.59776 Ang N(30) at 67.677 -15.629 43.405 in (null):F-9999 (5) and CD(45) at 67.3231 -16.2448 40.9062 in (null):P-9999 (6) neighbor-bump: 2.01416 Ang O(13) at 63.652 -17.711 48.32 in (null):A-9999 (2) and CB(17) at 65.562 -17.2946 48.805 in (null):V-9999 (3) neighbor-bump: 2.43088 Ang C(14) at 63.352 -16.526 48.146 in (null):A-9999 (2) and CB(17) at 65.562 -17.2946 48.805 in (null):V-9999 (3) Number of specific fragments= 1 total=2034 # 1al3.210.211 read from T0147_twice.t2k.frag # found chain 1al3 in template set T0147_twice 210 :DAVDFPPER 1al3 212 :NRAGLTPRI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05062 Ang CG1(18) at 20.4296 32.9823 2.28248 in (null):V-9999 (3) and CZ(38) at 20.4523 30.1306 3.36587 in (null):F-9999 (5) other bump:3.10317 Ang CB(17) at 20.6655 34.1094 1.29385 in (null):V-9999 (3) and CE1(36) at 20.6238 31.2961 2.60271 in (null):F-9999 (5) other bump:1.72728 Ang CG1(18) at 20.4296 32.9823 2.28248 in (null):V-9999 (3) and CE1(36) at 20.6238 31.2961 2.60271 in (null):F-9999 (5) other bump:2.59488 Ang CB(17) at 20.6655 34.1094 1.29385 in (null):V-9999 (3) and CD1(34) at 19.4965 31.9044 2.00411 in (null):F-9999 (5) other bump:1.45266 Ang CG1(18) at 20.4296 32.9823 2.28248 in (null):V-9999 (3) and CD1(34) at 19.4965 31.9044 2.00411 in (null):F-9999 (5) other bump:2.73941 Ang CG1(18) at 20.4296 32.9823 2.28248 in (null):V-9999 (3) and CG(33) at 18.2212 31.3655 2.16848 in (null):F-9999 (5) Number of specific fragments= 1 total=2035 # 1pscA.211.217 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 211 :AVDFPPERI 1pscA 218 :SEGLSPSRV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.96449 Ang CE2(29) at 47.4738 9.2925 17.6616 in (null):F-9999 (4) and CG2(71) at 48.1963 8.20174 19.127 in (null):I-9999 (9) other bump:2.78286 Ang CZ(30) at 46.1395 9.08598 17.4741 in (null):F-9999 (4) and CG2(71) at 48.1963 8.20174 19.127 in (null):I-9999 (9) other bump:2.88011 Ang CD2(27) at 48.3002 9.5129 16.5648 in (null):F-9999 (4) and CG2(71) at 48.1963 8.20174 19.127 in (null):I-9999 (9) other bump:3.28765 Ang CE2(29) at 47.4738 9.2925 17.6616 in (null):F-9999 (4) and C(66) at 45.301 9.706 20.094 in (null):R-9999 (8) other bump:2.81981 Ang CZ(30) at 46.1395 9.08598 17.4741 in (null):F-9999 (4) and C(66) at 45.301 9.706 20.094 in (null):R-9999 (8) other bump:2.76173 Ang CZ(30) at 46.1395 9.08598 17.4741 in (null):F-9999 (4) and O(65) at 44.769 8.635 19.829 in (null):R-9999 (8) other bump:2.69305 Ang CE1(28) at 45.6201 9.13161 16.2079 in (null):F-9999 (4) and CB(58) at 44.499 10.724 18.068 in (null):R-9999 (8) other bump:2.39313 Ang CZ(30) at 46.1395 9.08598 17.4741 in (null):F-9999 (4) and CB(58) at 44.499 10.724 18.068 in (null):R-9999 (8) other bump:3.13011 Ang CZ(30) at 46.1395 9.08598 17.4741 in (null):F-9999 (4) and CA(57) at 44.742 10.964 19.552 in (null):R-9999 (8) neighbor-bump: 2.93166 Ang CE2(29) at 47.4738 9.2925 17.6616 in (null):F-9999 (4) and O(38) at 47.732 12.207 17.845 in (null):P-9999 (5) Number of specific fragments= 1 total=2036 # 2hdhA.211.212 read from T0147_twice.t2k.frag # found chain 2hdhA in template set T0147_twice 211 :AVDFPPERI 2hdhA 224 :RGDASKEDI Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59279 Ang CD2(27) at 52.6735 37.2034 62.441 in (null):F-9999 (4) and CG1(70) at 52.445 38.232 60.072 in (null):I-9999 (9) other bump:3.21514 Ang CD2(27) at 52.6735 37.2034 62.441 in (null):F-9999 (4) and CA(68) at 50.09 37.551 60.559 in (null):I-9999 (9) other bump:3.01381 Ang CE2(29) at 51.6084 36.4361 62.9116 in (null):F-9999 (4) and CA(68) at 50.09 37.551 60.559 in (null):I-9999 (9) other bump:2.64219 Ang CD2(27) at 52.6735 37.2034 62.441 in (null):F-9999 (4) and N(67) at 50.509 36.317 61.212 in (null):I-9999 (9) other bump:2.02765 Ang CE2(29) at 51.6084 36.4361 62.9116 in (null):F-9999 (4) and N(67) at 50.509 36.317 61.212 in (null):I-9999 (9) other bump:3.21981 Ang CZ(30) at 51.6798 35.8437 64.1738 in (null):F-9999 (4) and N(67) at 50.509 36.317 61.212 in (null):I-9999 (9) other bump:3.13825 Ang CD2(27) at 52.6735 37.2034 62.441 in (null):F-9999 (4) and C(66) at 49.844 35.857 62.268 in (null):R-9999 (8) other bump:1.96534 Ang CE2(29) at 51.6084 36.4361 62.9116 in (null):F-9999 (4) and C(66) at 49.844 35.857 62.268 in (null):R-9999 (8) other bump:2.64623 Ang CZ(30) at 51.6798 35.8437 64.1738 in (null):F-9999 (4) and C(66) at 49.844 35.857 62.268 in (null):R-9999 (8) other bump:2.73892 Ang CE2(29) at 51.6084 36.4361 62.9116 in (null):F-9999 (4) and O(65) at 48.874 36.443 62.754 in (null):R-9999 (8) other bump:2.43449 Ang CD(37) at 55.1845 34.7095 63.2972 in (null):P-9999 (5) and NH2(64) at 56.1786 33.291 65.0079 in (null):R-9999 (8) other bump:2.63081 Ang CG(36) at 54.253 33.5517 63.0228 in (null):P-9999 (5) and CZ(62) at 54.9685 33.048 65.5038 in (null):R-9999 (8) other bump:2.49303 Ang CG(36) at 54.253 33.5517 63.0228 in (null):P-9999 (5) and NE(61) at 54.0451 34.0049 65.4654 in (null):R-9999 (8) other bump:2.95961 Ang CD1(26) at 53.8608 36.79 64.4811 in (null):F-9999 (4) and NE(61) at 54.0451 34.0049 65.4654 in (null):R-9999 (8) other bump:2.42069 Ang CE1(28) at 52.8048 36.0215 64.9607 in (null):F-9999 (4) and NE(61) at 54.0451 34.0049 65.4654 in (null):R-9999 (8) other bump:3.2625 Ang CZ(30) at 51.6798 35.8437 64.1738 in (null):F-9999 (4) and NE(61) at 54.0451 34.0049 65.4654 in (null):R-9999 (8) other bump:2.54866 Ang CD(37) at 55.1845 34.7095 63.2972 in (null):P-9999 (5) and NE(61) at 54.0451 34.0049 65.4654 in (null):R-9999 (8) other bump:2.36774 Ang CE1(28) at 52.8048 36.0215 64.9607 in (null):F-9999 (4) and CD(60) at 52.6836 33.8792 65.9618 in (null):R-9999 (8) other bump:2.83964 Ang CZ(30) at 51.6798 35.8437 64.1738 in (null):F-9999 (4) and CD(60) at 52.6836 33.8792 65.9618 in (null):R-9999 (8) other bump:3.07762 Ang CD2(27) at 52.6735 37.2034 62.441 in (null):F-9999 (4) and CB(58) at 51.4696 34.7843 63.9143 in (null):R-9999 (8) other bump:2.09959 Ang CE1(28) at 52.8048 36.0215 64.9607 in (null):F-9999 (4) and CB(58) at 51.4696 34.7843 63.9143 in (null):R-9999 (8) other bump:1.9373 Ang CE2(29) at 51.6084 36.4361 62.9116 in (null):F-9999 (4) and CB(58) at 51.4696 34.7843 63.9143 in (null):R-9999 (8) other bump:1.1108 Ang CZ(30) at 51.6798 35.8437 64.1738 in (null):F-9999 (4) and CB(58) at 51.4696 34.7843 63.9143 in (null):R-9999 (8) other bump:2.27163 Ang CE2(29) at 51.6084 36.4361 62.9116 in (null):F-9999 (4) and CA(57) at 50.334 34.556 62.874 in (null):R-9999 (8) other bump:2.27133 Ang CZ(30) at 51.6798 35.8437 64.1738 in (null):F-9999 (4) and CA(57) at 50.334 34.556 62.874 in (null):R-9999 (8) other bump:3.13206 Ang CE2(29) at 51.6084 36.4361 62.9116 in (null):F-9999 (4) and N(56) at 50.778 33.607 61.855 in (null):R-9999 (8) neighbor-bump: 2.73537 Ang CD1(26) at 53.8608 36.79 64.4811 in (null):F-9999 (4) and CD(37) at 55.1845 34.7095 63.2972 in (null):P-9999 (5) neighbor-bump: 2.53689 Ang C(6) at 62.16 39.816 59.47 in (null):A-9999 (1) and CB(9) at 63.1369 37.7306 60.5343 in (null):V-9999 (2) Number of specific fragments= 1 total=2037 # 1d2zA.211.39 read from T0147_twice.t2k.frag # found chain 1d2zA in template set T0147_twice 211 :AVDFPPERI 1d2zA 61 :AVKLYPDQV Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.85349 Ang CD2(27) at 23.8273 38.2916 30.56 in (null):F-9999 (4) and NH2(64) at 24.0739 39.0559 28.8895 in (null):R-9999 (8) other bump:1.88497 Ang CE2(29) at 25.0872 38.9007 30.4714 in (null):F-9999 (4) and NH2(64) at 24.0739 39.0559 28.8895 in (null):R-9999 (8) other bump:2.49733 Ang CD2(27) at 23.8273 38.2916 30.56 in (null):F-9999 (4) and NH1(63) at 21.8896 39.4212 29.462 in (null):R-9999 (8) other bump:2.11591 Ang CD2(27) at 23.8273 38.2916 30.56 in (null):F-9999 (4) and CZ(62) at 22.7967 38.7363 28.7664 in (null):R-9999 (8) other bump:2.86016 Ang CE2(29) at 25.0872 38.9007 30.4714 in (null):F-9999 (4) and CZ(62) at 22.7967 38.7363 28.7664 in (null):R-9999 (8) other bump:2.70756 Ang CD(37) at 19.305 37.9521 29.5142 in (null):P-9999 (5) and CD(60) at 21.1472 37.249 27.6589 in (null):R-9999 (8) other bump:2.69976 Ang CG2(11) at 24.542 40.81 33.389 in (null):V-9999 (2) and CZ(30) at 25.8036 39.1946 31.6319 in (null):F-9999 (4) other bump:2.11702 Ang CG2(11) at 24.542 40.81 33.389 in (null):V-9999 (2) and CE1(28) at 25.2595 38.8824 32.8875 in (null):F-9999 (4) other bump:2.63214 Ang CG2(11) at 24.542 40.81 33.389 in (null):V-9999 (2) and CD1(26) at 23.9853 38.2737 32.9585 in (null):F-9999 (4) Number of specific fragments= 1 total=2038 # 1bco.211.211 read from T0147_twice.t2k.frag # found chain 1bco in template set T0147_twice 211 :AVDFPPERI 1bco 459 :GGKLSFDDV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88443 Ang CD(37) at 38.4497 33.1508 116.839 in (null):P-9999 (5) and CD(60) at 41.3189 33.4346 116.923 in (null):R-9999 (8) other bump:3.04819 Ang CG(36) at 38.3895 34.5373 116.241 in (null):P-9999 (5) and CG(59) at 41.3487 34.1805 115.603 in (null):R-9999 (8) neighbor-bump: 2.62748 Ang C(6) at 36.089 24.373 117.301 in (null):A-9999 (1) and CB(9) at 34.4147 24.0498 119.3 in (null):V-9999 (2) Number of specific fragments= 1 total=2039 # 1abrA.211.142 read from T0147_twice.t2k.frag # found chain 1abrA in template set T0147_twice 211 :AVDFPPERI 1abrA 143 :SGGNDNEEK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61189 Ang OD1(18) at 65.5276 -11.5319 42.4544 in (null):D-9999 (3) and CG1(70) at 68.0012 -11.1999 41.6842 in (null):I-9999 (9) other bump:2.74434 Ang OD2(19) at 66.4404 -13.4402 41.9595 in (null):D-9999 (3) and CG1(70) at 68.0012 -11.1999 41.6842 in (null):I-9999 (9) other bump:2.90634 Ang CG(17) at 65.7769 -12.7361 42.7515 in (null):D-9999 (3) and CG1(70) at 68.0012 -11.1999 41.6842 in (null):I-9999 (9) self-bump: 1.3924 Ang N(40) at 70.426 -13.653 38.513 in (null):P-9999 (6) and CD(44) at 71.4259 -14.6029 38.7043 in (null):P-9999 (6) neighbor-bump: 2.59776 Ang N(22) at 67.677 -15.629 43.405 in (null):F-9999 (4) and CD(37) at 67.3231 -16.2448 40.9062 in (null):P-9999 (5) neighbor-bump: 2.01416 Ang O(5) at 63.652 -17.711 48.32 in (null):A-9999 (1) and CB(9) at 65.562 -17.2946 48.805 in (null):V-9999 (2) neighbor-bump: 2.43088 Ang C(6) at 63.352 -16.526 48.146 in (null):A-9999 (1) and CB(9) at 65.562 -17.2946 48.805 in (null):V-9999 (2) Number of specific fragments= 1 total=2040 # 2dri.211.212 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 211 :AVDFPPERI 2dri 213 :GFDGTPDGE Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.4186 Ang CG(25) at 40.2546 36.0364 51.7863 in (null):F-9999 (4) and NH2(64) at 41.2257 36.486 52.7176 in (null):R-9999 (8) other bump:2.52492 Ang CD1(26) at 40.4574 35.2602 50.6482 in (null):F-9999 (4) and NH2(64) at 41.2257 36.486 52.7176 in (null):R-9999 (8) other bump:2.28575 Ang CD2(27) at 39.1686 36.9127 51.817 in (null):F-9999 (4) and NH2(64) at 41.2257 36.486 52.7176 in (null):R-9999 (8) other bump:0.588167 Ang CB(24) at 41.2017 35.9492 52.957 in (null):F-9999 (4) and NH2(64) at 41.2257 36.486 52.7176 in (null):R-9999 (8) other bump:2.28649 Ang N(22) at 43.099 36.58 51.41 in (null):F-9999 (4) and NH2(64) at 41.2257 36.486 52.7176 in (null):R-9999 (8) other bump:1.32764 Ang CA(23) at 42.553 36.507 52.737 in (null):F-9999 (4) and NH2(64) at 41.2257 36.486 52.7176 in (null):R-9999 (8) other bump:2.6432 Ang C(32) at 43.636 36.329 53.791 in (null):F-9999 (4) and NH2(64) at 41.2257 36.486 52.7176 in (null):R-9999 (8) other bump:2.33515 Ang CG(25) at 40.2546 36.0364 51.7863 in (null):F-9999 (4) and NH1(63) at 40.3767 38.3683 51.7839 in (null):R-9999 (8) other bump:1.89187 Ang CD2(27) at 39.1686 36.9127 51.817 in (null):F-9999 (4) and NH1(63) at 40.3767 38.3683 51.7839 in (null):R-9999 (8) other bump:2.69421 Ang CE2(29) at 38.298 37.0151 50.7319 in (null):F-9999 (4) and NH1(63) at 40.3767 38.3683 51.7839 in (null):R-9999 (8) other bump:2.00596 Ang CG(25) at 40.2546 36.0364 51.7863 in (null):F-9999 (4) and CZ(62) at 41.4331 37.6295 52.0975 in (null):R-9999 (8) other bump:2.39174 Ang CD2(27) at 39.1686 36.9127 51.817 in (null):F-9999 (4) and CZ(62) at 41.4331 37.6295 52.0975 in (null):R-9999 (8) other bump:1.90146 Ang CB(24) at 41.2017 35.9492 52.957 in (null):F-9999 (4) and CZ(62) at 41.4331 37.6295 52.0975 in (null):R-9999 (8) other bump:3.30024 Ang C(21) at 43.626 35.499 50.855 in (null):D-9999 (3) and CZ(62) at 41.4331 37.6295 52.0975 in (null):R-9999 (8) other bump:2.08549 Ang N(22) at 43.099 36.58 51.41 in (null):F-9999 (4) and CZ(62) at 41.4331 37.6295 52.0975 in (null):R-9999 (8) other bump:1.70969 Ang CA(23) at 42.553 36.507 52.737 in (null):F-9999 (4) and CZ(62) at 41.4331 37.6295 52.0975 in (null):R-9999 (8) other bump:3.06786 Ang C(32) at 43.636 36.329 53.791 in (null):F-9999 (4) and CZ(62) at 41.4331 37.6295 52.0975 in (null):R-9999 (8) other bump:3.11171 Ang CG(25) at 40.2546 36.0364 51.7863 in (null):F-9999 (4) and NE(61) at 42.6764 37.9902 51.7785 in (null):R-9999 (8) other bump:2.78017 Ang CB(24) at 41.2017 35.9492 52.957 in (null):F-9999 (4) and NE(61) at 42.6764 37.9902 51.7785 in (null):R-9999 (8) other bump:2.82143 Ang C(21) at 43.626 35.499 50.855 in (null):D-9999 (3) and NE(61) at 42.6764 37.9902 51.7785 in (null):R-9999 (8) other bump:1.51755 Ang N(22) at 43.099 36.58 51.41 in (null):F-9999 (4) and NE(61) at 42.6764 37.9902 51.7785 in (null):R-9999 (8) other bump:1.77028 Ang CA(23) at 42.553 36.507 52.737 in (null):F-9999 (4) and NE(61) at 42.6764 37.9902 51.7785 in (null):R-9999 (8) other bump:2.7804 Ang C(32) at 43.636 36.329 53.791 in (null):F-9999 (4) and NE(61) at 42.6764 37.9902 51.7785 in (null):R-9999 (8) other bump:2.95958 Ang N(33) at 44.779 37.002 53.612 in (null):P-9999 (5) and NE(61) at 42.6764 37.9902 51.7785 in (null):R-9999 (8) other bump:2.50922 Ang CD(37) at 45.0864 37.8564 52.4643 in (null):P-9999 (5) and NE(61) at 42.6764 37.9902 51.7785 in (null):R-9999 (8) other bump:2.65622 Ang N(22) at 43.099 36.58 51.41 in (null):F-9999 (4) and CD(60) at 43.0504 39.2163 51.0891 in (null):R-9999 (8) other bump:3.20991 Ang CA(23) at 42.553 36.507 52.737 in (null):F-9999 (4) and CD(60) at 43.0504 39.2163 51.0891 in (null):R-9999 (8) other bump:2.80818 Ang CD(37) at 45.0864 37.8564 52.4643 in (null):P-9999 (5) and CD(60) at 43.0504 39.2163 51.0891 in (null):R-9999 (8) other bump:2.73054 Ang CD(37) at 45.0864 37.8564 52.4643 in (null):P-9999 (5) and CB(58) at 44.0983 40.319 53.1084 in (null):R-9999 (8) other bump:2.53008 Ang CG(36) at 46.1121 38.7879 53.0675 in (null):P-9999 (5) and CB(58) at 44.0983 40.319 53.1084 in (null):R-9999 (8) neighbor-bump: 2.58659 Ang N(22) at 43.099 36.58 51.41 in (null):F-9999 (4) and CD(37) at 45.0864 37.8564 52.4643 in (null):P-9999 (5) Number of specific fragments= 1 total=2041 # 2hdhA.212.213 read from T0147_twice.t2k.frag # found chain 2hdhA in template set T0147_twice 212 :VDFPPERIL 2hdhA 225 :GDASKEDID Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59279 Ang CD2(22) at 52.6735 37.2034 62.441 in (null):F-9999 (3) and CG1(65) at 52.445 38.232 60.072 in (null):I-9999 (8) other bump:3.21514 Ang CD2(22) at 52.6735 37.2034 62.441 in (null):F-9999 (3) and CA(63) at 50.09 37.551 60.559 in (null):I-9999 (8) other bump:3.01381 Ang CE2(24) at 51.6084 36.4361 62.9116 in (null):F-9999 (3) and CA(63) at 50.09 37.551 60.559 in (null):I-9999 (8) other bump:2.64219 Ang CD2(22) at 52.6735 37.2034 62.441 in (null):F-9999 (3) and N(62) at 50.509 36.317 61.212 in (null):I-9999 (8) other bump:2.02765 Ang CE2(24) at 51.6084 36.4361 62.9116 in (null):F-9999 (3) and N(62) at 50.509 36.317 61.212 in (null):I-9999 (8) other bump:3.21981 Ang CZ(25) at 51.6798 35.8437 64.1738 in (null):F-9999 (3) and N(62) at 50.509 36.317 61.212 in (null):I-9999 (8) other bump:3.13825 Ang CD2(22) at 52.6735 37.2034 62.441 in (null):F-9999 (3) and C(61) at 49.844 35.857 62.268 in (null):R-9999 (7) other bump:1.96534 Ang CE2(24) at 51.6084 36.4361 62.9116 in (null):F-9999 (3) and C(61) at 49.844 35.857 62.268 in (null):R-9999 (7) other bump:2.64623 Ang CZ(25) at 51.6798 35.8437 64.1738 in (null):F-9999 (3) and C(61) at 49.844 35.857 62.268 in (null):R-9999 (7) other bump:2.73892 Ang CE2(24) at 51.6084 36.4361 62.9116 in (null):F-9999 (3) and O(60) at 48.874 36.443 62.754 in (null):R-9999 (7) other bump:2.43449 Ang CD(32) at 55.1845 34.7095 63.2972 in (null):P-9999 (4) and NH2(59) at 56.1786 33.291 65.0079 in (null):R-9999 (7) other bump:2.63081 Ang CG(31) at 54.253 33.5517 63.0228 in (null):P-9999 (4) and CZ(57) at 54.9685 33.048 65.5038 in (null):R-9999 (7) other bump:2.95961 Ang CD1(21) at 53.8608 36.79 64.4811 in (null):F-9999 (3) and NE(56) at 54.0451 34.0049 65.4654 in (null):R-9999 (7) other bump:2.42069 Ang CE1(23) at 52.8048 36.0215 64.9607 in (null):F-9999 (3) and NE(56) at 54.0451 34.0049 65.4654 in (null):R-9999 (7) other bump:3.2625 Ang CZ(25) at 51.6798 35.8437 64.1738 in (null):F-9999 (3) and NE(56) at 54.0451 34.0049 65.4654 in (null):R-9999 (7) other bump:2.49303 Ang CG(31) at 54.253 33.5517 63.0228 in (null):P-9999 (4) and NE(56) at 54.0451 34.0049 65.4654 in (null):R-9999 (7) other bump:2.54866 Ang CD(32) at 55.1845 34.7095 63.2972 in (null):P-9999 (4) and NE(56) at 54.0451 34.0049 65.4654 in (null):R-9999 (7) other bump:2.36774 Ang CE1(23) at 52.8048 36.0215 64.9607 in (null):F-9999 (3) and CD(55) at 52.6836 33.8792 65.9618 in (null):R-9999 (7) other bump:2.83964 Ang CZ(25) at 51.6798 35.8437 64.1738 in (null):F-9999 (3) and CD(55) at 52.6836 33.8792 65.9618 in (null):R-9999 (7) other bump:3.07762 Ang CD2(22) at 52.6735 37.2034 62.441 in (null):F-9999 (3) and CB(53) at 51.4696 34.7843 63.9143 in (null):R-9999 (7) other bump:2.09959 Ang CE1(23) at 52.8048 36.0215 64.9607 in (null):F-9999 (3) and CB(53) at 51.4696 34.7843 63.9143 in (null):R-9999 (7) other bump:1.9373 Ang CE2(24) at 51.6084 36.4361 62.9116 in (null):F-9999 (3) and CB(53) at 51.4696 34.7843 63.9143 in (null):R-9999 (7) other bump:1.1108 Ang CZ(25) at 51.6798 35.8437 64.1738 in (null):F-9999 (3) and CB(53) at 51.4696 34.7843 63.9143 in (null):R-9999 (7) other bump:2.27163 Ang CE2(24) at 51.6084 36.4361 62.9116 in (null):F-9999 (3) and CA(52) at 50.334 34.556 62.874 in (null):R-9999 (7) other bump:2.27133 Ang CZ(25) at 51.6798 35.8437 64.1738 in (null):F-9999 (3) and CA(52) at 50.334 34.556 62.874 in (null):R-9999 (7) other bump:3.13206 Ang CE2(24) at 51.6084 36.4361 62.9116 in (null):F-9999 (3) and N(51) at 50.778 33.607 61.855 in (null):R-9999 (7) neighbor-bump: 2.73537 Ang CD1(21) at 53.8608 36.79 64.4811 in (null):F-9999 (3) and CD(32) at 55.1845 34.7095 63.2972 in (null):P-9999 (4) Number of specific fragments= 1 total=2042 # 1pscA.212.218 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 212 :VDFPPERIL 1pscA 219 :EGLSPSRVC Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78286 Ang CZ(25) at 46.1395 9.08598 17.4741 in (null):F-9999 (3) and CG2(66) at 48.1963 8.20174 19.127 in (null):I-9999 (8) other bump:2.88011 Ang CD2(22) at 48.3002 9.5129 16.5648 in (null):F-9999 (3) and CG2(66) at 48.1963 8.20174 19.127 in (null):I-9999 (8) other bump:1.96449 Ang CE2(24) at 47.4738 9.2925 17.6616 in (null):F-9999 (3) and CG2(66) at 48.1963 8.20174 19.127 in (null):I-9999 (8) other bump:2.81981 Ang CZ(25) at 46.1395 9.08598 17.4741 in (null):F-9999 (3) and C(61) at 45.301 9.706 20.094 in (null):R-9999 (7) other bump:3.28765 Ang CE2(24) at 47.4738 9.2925 17.6616 in (null):F-9999 (3) and C(61) at 45.301 9.706 20.094 in (null):R-9999 (7) other bump:2.76173 Ang CZ(25) at 46.1395 9.08598 17.4741 in (null):F-9999 (3) and O(60) at 44.769 8.635 19.829 in (null):R-9999 (7) other bump:2.69305 Ang CE1(23) at 45.6201 9.13161 16.2079 in (null):F-9999 (3) and CB(53) at 44.499 10.724 18.068 in (null):R-9999 (7) other bump:2.39313 Ang CZ(25) at 46.1395 9.08598 17.4741 in (null):F-9999 (3) and CB(53) at 44.499 10.724 18.068 in (null):R-9999 (7) other bump:3.13011 Ang CZ(25) at 46.1395 9.08598 17.4741 in (null):F-9999 (3) and CA(52) at 44.742 10.964 19.552 in (null):R-9999 (7) neighbor-bump: 2.93166 Ang CE2(24) at 47.4738 9.2925 17.6616 in (null):F-9999 (3) and O(33) at 47.732 12.207 17.845 in (null):P-9999 (4) Number of specific fragments= 1 total=2043 # 1d2zA.212.40 read from T0147_twice.t2k.frag # found chain 1d2zA in template set T0147_twice 212 :VDFPPERIL 1d2zA 62 :VKLYPDQVE Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.85349 Ang CD2(22) at 23.8273 38.2916 30.56 in (null):F-9999 (3) and NH2(59) at 24.0739 39.0559 28.8895 in (null):R-9999 (7) other bump:1.88497 Ang CE2(24) at 25.0872 38.9007 30.4714 in (null):F-9999 (3) and NH2(59) at 24.0739 39.0559 28.8895 in (null):R-9999 (7) other bump:2.49733 Ang CD2(22) at 23.8273 38.2916 30.56 in (null):F-9999 (3) and NH1(58) at 21.8896 39.4212 29.462 in (null):R-9999 (7) other bump:2.11591 Ang CD2(22) at 23.8273 38.2916 30.56 in (null):F-9999 (3) and CZ(57) at 22.7967 38.7363 28.7664 in (null):R-9999 (7) other bump:2.86016 Ang CE2(24) at 25.0872 38.9007 30.4714 in (null):F-9999 (3) and CZ(57) at 22.7967 38.7363 28.7664 in (null):R-9999 (7) other bump:2.70756 Ang CD(32) at 19.305 37.9521 29.5142 in (null):P-9999 (4) and CD(55) at 21.1472 37.249 27.6589 in (null):R-9999 (7) other bump:2.69976 Ang CG2(6) at 24.542 40.81 33.389 in (null):V-9999 (1) and CZ(25) at 25.8036 39.1946 31.6319 in (null):F-9999 (3) other bump:2.11702 Ang CG2(6) at 24.542 40.81 33.389 in (null):V-9999 (1) and CE1(23) at 25.2595 38.8824 32.8875 in (null):F-9999 (3) other bump:2.63214 Ang CG2(6) at 24.542 40.81 33.389 in (null):V-9999 (1) and CD1(21) at 23.9853 38.2737 32.9585 in (null):F-9999 (3) Number of specific fragments= 1 total=2044 # 1bco.212.212 read from T0147_twice.t2k.frag # found chain 1bco in template set T0147_twice 212 :VDFPPERIL 1bco 460 :GKLSFDDVF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88443 Ang CD(32) at 38.4497 33.1508 116.839 in (null):P-9999 (4) and CD(55) at 41.3189 33.4346 116.923 in (null):R-9999 (7) other bump:3.04819 Ang CG(31) at 38.3895 34.5373 116.241 in (null):P-9999 (4) and CG(54) at 41.3487 34.1805 115.603 in (null):R-9999 (7) Number of specific fragments= 1 total=2045 # 1ft9A.212.161 read from T0147_twice.t2k.frag # adding 1ft9A to template set 1ft9A:# found chain 1ft9A in template set T0147_twice 212 :VDFPPERIL 1ft9A 162 :VDFTVEEIA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7047 Ang CG(31) at 59.4119 12.1188 10.8466 in (null):P-9999 (4) and NH2(59) at 57.541 12.466 8.92452 in (null):R-9999 (7) other bump:2.13813 Ang CD(32) at 59.4403 11.6187 9.42097 in (null):P-9999 (4) and NH2(59) at 57.541 12.466 8.92452 in (null):R-9999 (7) other bump:2.39791 Ang CG(31) at 59.4119 12.1188 10.8466 in (null):P-9999 (4) and CZ(57) at 57.3086 11.5402 9.85096 in (null):R-9999 (7) other bump:2.17598 Ang CD(32) at 59.4403 11.6187 9.42097 in (null):P-9999 (4) and CZ(57) at 57.3086 11.5402 9.85096 in (null):R-9999 (7) other bump:2.41699 Ang CG(31) at 59.4119 12.1188 10.8466 in (null):P-9999 (4) and NE(56) at 58.021 10.4167 9.84164 in (null):R-9999 (7) other bump:1.90683 Ang CD(32) at 59.4403 11.6187 9.42097 in (null):P-9999 (4) and NE(56) at 58.021 10.4167 9.84164 in (null):R-9999 (7) other bump:3.09412 Ang CD(32) at 59.4403 11.6187 9.42097 in (null):P-9999 (4) and CD(55) at 57.8811 9.32505 10.7928 in (null):R-9999 (7) other bump:2.97676 Ang CG(31) at 59.4119 12.1188 10.8466 in (null):P-9999 (4) and CG(54) at 58.9495 9.36936 11.8896 in (null):R-9999 (7) Number of specific fragments= 1 total=2046 # 2mysB.212.125 read from T0147_twice.t2k.frag # adding 2mysB to template set 2mysB:# found chain 2mysB in template set Number of specific fragments= 0 total=2046 # 2hdhA.213.214 read from T0147_twice.t2k.frag # found chain 2hdhA in template set T0147_twice 213 :DFPPERILN 2hdhA 226 :DASKEDIDT Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59279 Ang CD2(15) at 52.6735 37.2034 62.441 in (null):F-9999 (2) and CG1(58) at 52.445 38.232 60.072 in (null):I-9999 (7) other bump:3.01381 Ang CE2(17) at 51.6084 36.4361 62.9116 in (null):F-9999 (2) and CA(56) at 50.09 37.551 60.559 in (null):I-9999 (7) other bump:3.21514 Ang CD2(15) at 52.6735 37.2034 62.441 in (null):F-9999 (2) and CA(56) at 50.09 37.551 60.559 in (null):I-9999 (7) other bump:2.02765 Ang CE2(17) at 51.6084 36.4361 62.9116 in (null):F-9999 (2) and N(55) at 50.509 36.317 61.212 in (null):I-9999 (7) other bump:3.21981 Ang CZ(18) at 51.6798 35.8437 64.1738 in (null):F-9999 (2) and N(55) at 50.509 36.317 61.212 in (null):I-9999 (7) other bump:2.64219 Ang CD2(15) at 52.6735 37.2034 62.441 in (null):F-9999 (2) and N(55) at 50.509 36.317 61.212 in (null):I-9999 (7) other bump:1.96534 Ang CE2(17) at 51.6084 36.4361 62.9116 in (null):F-9999 (2) and C(54) at 49.844 35.857 62.268 in (null):R-9999 (6) other bump:2.64623 Ang CZ(18) at 51.6798 35.8437 64.1738 in (null):F-9999 (2) and C(54) at 49.844 35.857 62.268 in (null):R-9999 (6) other bump:3.13825 Ang CD2(15) at 52.6735 37.2034 62.441 in (null):F-9999 (2) and C(54) at 49.844 35.857 62.268 in (null):R-9999 (6) other bump:2.73892 Ang CE2(17) at 51.6084 36.4361 62.9116 in (null):F-9999 (2) and O(53) at 48.874 36.443 62.754 in (null):R-9999 (6) other bump:2.43449 Ang CD(25) at 55.1845 34.7095 63.2972 in (null):P-9999 (3) and NH2(52) at 56.1786 33.291 65.0079 in (null):R-9999 (6) other bump:2.63081 Ang CG(24) at 54.253 33.5517 63.0228 in (null):P-9999 (3) and CZ(50) at 54.9685 33.048 65.5038 in (null):R-9999 (6) other bump:3.2625 Ang CZ(18) at 51.6798 35.8437 64.1738 in (null):F-9999 (2) and NE(49) at 54.0451 34.0049 65.4654 in (null):R-9999 (6) other bump:2.49303 Ang CG(24) at 54.253 33.5517 63.0228 in (null):P-9999 (3) and NE(49) at 54.0451 34.0049 65.4654 in (null):R-9999 (6) other bump:2.95961 Ang CD1(14) at 53.8608 36.79 64.4811 in (null):F-9999 (2) and NE(49) at 54.0451 34.0049 65.4654 in (null):R-9999 (6) other bump:2.42069 Ang CE1(16) at 52.8048 36.0215 64.9607 in (null):F-9999 (2) and NE(49) at 54.0451 34.0049 65.4654 in (null):R-9999 (6) other bump:2.54866 Ang CD(25) at 55.1845 34.7095 63.2972 in (null):P-9999 (3) and NE(49) at 54.0451 34.0049 65.4654 in (null):R-9999 (6) other bump:2.83964 Ang CZ(18) at 51.6798 35.8437 64.1738 in (null):F-9999 (2) and CD(48) at 52.6836 33.8792 65.9618 in (null):R-9999 (6) other bump:2.36774 Ang CE1(16) at 52.8048 36.0215 64.9607 in (null):F-9999 (2) and CD(48) at 52.6836 33.8792 65.9618 in (null):R-9999 (6) other bump:1.9373 Ang CE2(17) at 51.6084 36.4361 62.9116 in (null):F-9999 (2) and CB(46) at 51.4696 34.7843 63.9143 in (null):R-9999 (6) other bump:1.1108 Ang CZ(18) at 51.6798 35.8437 64.1738 in (null):F-9999 (2) and CB(46) at 51.4696 34.7843 63.9143 in (null):R-9999 (6) other bump:3.07762 Ang CD2(15) at 52.6735 37.2034 62.441 in (null):F-9999 (2) and CB(46) at 51.4696 34.7843 63.9143 in (null):R-9999 (6) other bump:2.09959 Ang CE1(16) at 52.8048 36.0215 64.9607 in (null):F-9999 (2) and CB(46) at 51.4696 34.7843 63.9143 in (null):R-9999 (6) other bump:2.27163 Ang CE2(17) at 51.6084 36.4361 62.9116 in (null):F-9999 (2) and CA(45) at 50.334 34.556 62.874 in (null):R-9999 (6) other bump:2.27133 Ang CZ(18) at 51.6798 35.8437 64.1738 in (null):F-9999 (2) and CA(45) at 50.334 34.556 62.874 in (null):R-9999 (6) other bump:3.13206 Ang CE2(17) at 51.6084 36.4361 62.9116 in (null):F-9999 (2) and N(44) at 50.778 33.607 61.855 in (null):R-9999 (6) neighbor-bump: 2.73537 Ang CD1(14) at 53.8608 36.79 64.4811 in (null):F-9999 (2) and CD(25) at 55.1845 34.7095 63.2972 in (null):P-9999 (3) Number of specific fragments= 1 total=2047 # 1d2zA.213.41 read from T0147_twice.t2k.frag # found chain 1d2zA in template set T0147_twice 213 :DFPPERILN 1d2zA 63 :KLYPDQVEQ Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.85349 Ang CD2(15) at 23.8273 38.2916 30.56 in (null):F-9999 (2) and NH2(52) at 24.0739 39.0559 28.8895 in (null):R-9999 (6) other bump:1.88497 Ang CE2(17) at 25.0872 38.9007 30.4714 in (null):F-9999 (2) and NH2(52) at 24.0739 39.0559 28.8895 in (null):R-9999 (6) other bump:2.49732 Ang CD2(15) at 23.8273 38.2916 30.56 in (null):F-9999 (2) and NH1(51) at 21.8896 39.4212 29.462 in (null):R-9999 (6) other bump:2.11591 Ang CD2(15) at 23.8273 38.2916 30.56 in (null):F-9999 (2) and CZ(50) at 22.7967 38.7363 28.7664 in (null):R-9999 (6) other bump:2.86016 Ang CE2(17) at 25.0872 38.9007 30.4714 in (null):F-9999 (2) and CZ(50) at 22.7967 38.7363 28.7664 in (null):R-9999 (6) other bump:2.70755 Ang CD(25) at 19.305 37.9522 29.5142 in (null):P-9999 (3) and CD(48) at 21.1472 37.249 27.6589 in (null):R-9999 (6) Number of specific fragments= 1 total=2048 # 1bco.213.213 read from T0147_twice.t2k.frag # found chain 1bco in template set T0147_twice 213 :DFPPERILN 1bco 461 :KLSFDDVFE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88445 Ang CD(25) at 38.4497 33.1508 116.839 in (null):P-9999 (3) and CD(48) at 41.3189 33.4346 116.923 in (null):R-9999 (6) other bump:3.0482 Ang CG(24) at 38.3895 34.5373 116.241 in (null):P-9999 (3) and CG(47) at 41.3487 34.1805 115.603 in (null):R-9999 (6) Number of specific fragments= 1 total=2049 # 1pscA.213.219 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 213 :DFPPERILN 1pscA 220 :GLSPSRVCI Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78286 Ang CZ(18) at 46.1395 9.08598 17.4741 in (null):F-9999 (2) and CG2(59) at 48.1963 8.20174 19.127 in (null):I-9999 (7) other bump:2.88011 Ang CD2(15) at 48.3002 9.5129 16.5648 in (null):F-9999 (2) and CG2(59) at 48.1963 8.20174 19.127 in (null):I-9999 (7) other bump:1.96449 Ang CE2(17) at 47.4738 9.2925 17.6616 in (null):F-9999 (2) and CG2(59) at 48.1963 8.20174 19.127 in (null):I-9999 (7) other bump:2.81981 Ang CZ(18) at 46.1395 9.08598 17.4741 in (null):F-9999 (2) and C(54) at 45.301 9.706 20.094 in (null):R-9999 (6) other bump:3.28765 Ang CE2(17) at 47.4738 9.2925 17.6616 in (null):F-9999 (2) and C(54) at 45.301 9.706 20.094 in (null):R-9999 (6) other bump:2.76173 Ang CZ(18) at 46.1395 9.08598 17.4741 in (null):F-9999 (2) and O(53) at 44.769 8.635 19.829 in (null):R-9999 (6) other bump:2.69305 Ang CE1(16) at 45.6201 9.13161 16.2079 in (null):F-9999 (2) and CB(46) at 44.499 10.724 18.068 in (null):R-9999 (6) other bump:2.39313 Ang CZ(18) at 46.1395 9.08598 17.4741 in (null):F-9999 (2) and CB(46) at 44.499 10.724 18.068 in (null):R-9999 (6) other bump:3.13011 Ang CZ(18) at 46.1395 9.08598 17.4741 in (null):F-9999 (2) and CA(45) at 44.742 10.964 19.552 in (null):R-9999 (6) neighbor-bump: 2.93166 Ang CE2(17) at 47.4738 9.2925 17.6616 in (null):F-9999 (2) and O(26) at 47.732 12.207 17.845 in (null):P-9999 (3) Number of specific fragments= 1 total=2050 # 1ft9A.213.162 read from T0147_twice.t2k.frag # found chain 1ft9A in template set T0147_twice 213 :DFPPERILN 1ft9A 163 :DFTVEEIAN Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7047 Ang CG(24) at 59.4119 12.1188 10.8466 in (null):P-9999 (3) and NH2(52) at 57.541 12.466 8.92452 in (null):R-9999 (6) other bump:2.13813 Ang CD(25) at 59.4403 11.6187 9.42097 in (null):P-9999 (3) and NH2(52) at 57.541 12.466 8.92452 in (null):R-9999 (6) other bump:2.39791 Ang CG(24) at 59.4119 12.1188 10.8466 in (null):P-9999 (3) and CZ(50) at 57.3086 11.5402 9.85096 in (null):R-9999 (6) other bump:2.17598 Ang CD(25) at 59.4403 11.6187 9.42097 in (null):P-9999 (3) and CZ(50) at 57.3086 11.5402 9.85096 in (null):R-9999 (6) other bump:2.41699 Ang CG(24) at 59.4119 12.1188 10.8466 in (null):P-9999 (3) and NE(49) at 58.021 10.4167 9.84164 in (null):R-9999 (6) other bump:1.90683 Ang CD(25) at 59.4403 11.6187 9.42097 in (null):P-9999 (3) and NE(49) at 58.021 10.4167 9.84164 in (null):R-9999 (6) other bump:3.09412 Ang CD(25) at 59.4403 11.6187 9.42097 in (null):P-9999 (3) and CD(48) at 57.8811 9.32505 10.7928 in (null):R-9999 (6) other bump:2.97676 Ang CG(24) at 59.4119 12.1188 10.8466 in (null):P-9999 (3) and CG(47) at 58.9495 9.36936 11.8896 in (null):R-9999 (6) Number of specific fragments= 1 total=2051 # 2mysB.213.126 read from T0147_twice.t2k.frag # found chain 2mysB in template set Number of specific fragments= 0 total=2051 # 2hdhA.214.215 read from T0147_twice.t2k.frag # found chain 2hdhA in template set T0147_twice 214 :FPPERILNV 2hdhA 227 :ASKEDIDTA Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59278 Ang CD2(7) at 52.6735 37.2034 62.441 in (null):F-9999 (1) and CG1(50) at 52.445 38.232 60.072 in (null):I-9999 (6) other bump:3.0138 Ang CE2(9) at 51.6084 36.4361 62.9116 in (null):F-9999 (1) and CA(48) at 50.09 37.551 60.559 in (null):I-9999 (6) other bump:3.21514 Ang CD2(7) at 52.6735 37.2034 62.441 in (null):F-9999 (1) and CA(48) at 50.09 37.551 60.559 in (null):I-9999 (6) other bump:2.02764 Ang CE2(9) at 51.6084 36.4361 62.9116 in (null):F-9999 (1) and N(47) at 50.509 36.317 61.212 in (null):I-9999 (6) other bump:3.21979 Ang CZ(10) at 51.6798 35.8437 64.1738 in (null):F-9999 (1) and N(47) at 50.509 36.317 61.212 in (null):I-9999 (6) other bump:2.64218 Ang CD2(7) at 52.6735 37.2034 62.441 in (null):F-9999 (1) and N(47) at 50.509 36.317 61.212 in (null):I-9999 (6) other bump:1.96534 Ang CE2(9) at 51.6084 36.4361 62.9116 in (null):F-9999 (1) and C(46) at 49.844 35.857 62.268 in (null):R-9999 (5) other bump:2.64622 Ang CZ(10) at 51.6798 35.8437 64.1738 in (null):F-9999 (1) and C(46) at 49.844 35.857 62.268 in (null):R-9999 (5) other bump:3.13825 Ang CD2(7) at 52.6735 37.2034 62.441 in (null):F-9999 (1) and C(46) at 49.844 35.857 62.268 in (null):R-9999 (5) other bump:2.73892 Ang CE2(9) at 51.6084 36.4361 62.9116 in (null):F-9999 (1) and O(45) at 48.874 36.443 62.754 in (null):R-9999 (5) other bump:2.43449 Ang CD(17) at 55.1845 34.7095 63.2972 in (null):P-9999 (2) and NH2(44) at 56.1786 33.291 65.0079 in (null):R-9999 (5) other bump:2.63081 Ang CG(16) at 54.253 33.5517 63.0228 in (null):P-9999 (2) and CZ(42) at 54.9685 33.048 65.5038 in (null):R-9999 (5) other bump:2.95961 Ang CD1(6) at 53.8608 36.79 64.4811 in (null):F-9999 (1) and NE(41) at 54.0451 34.0049 65.4654 in (null):R-9999 (5) other bump:2.42069 Ang CE1(8) at 52.8048 36.0215 64.9607 in (null):F-9999 (1) and NE(41) at 54.0451 34.0049 65.4654 in (null):R-9999 (5) other bump:3.26251 Ang CZ(10) at 51.6798 35.8437 64.1738 in (null):F-9999 (1) and NE(41) at 54.0451 34.0049 65.4654 in (null):R-9999 (5) other bump:2.49303 Ang CG(16) at 54.253 33.5517 63.0228 in (null):P-9999 (2) and NE(41) at 54.0451 34.0049 65.4654 in (null):R-9999 (5) other bump:2.54866 Ang CD(17) at 55.1845 34.7095 63.2972 in (null):P-9999 (2) and NE(41) at 54.0451 34.0049 65.4654 in (null):R-9999 (5) other bump:2.36775 Ang CE1(8) at 52.8048 36.0215 64.9607 in (null):F-9999 (1) and CD(40) at 52.6836 33.8792 65.9618 in (null):R-9999 (5) other bump:2.83966 Ang CZ(10) at 51.6798 35.8437 64.1738 in (null):F-9999 (1) and CD(40) at 52.6836 33.8792 65.9618 in (null):R-9999 (5) other bump:2.09958 Ang CE1(8) at 52.8048 36.0215 64.9607 in (null):F-9999 (1) and CB(38) at 51.4696 34.7843 63.9143 in (null):R-9999 (5) other bump:1.9373 Ang CE2(9) at 51.6084 36.4361 62.9116 in (null):F-9999 (1) and CB(38) at 51.4696 34.7843 63.9143 in (null):R-9999 (5) other bump:1.1108 Ang CZ(10) at 51.6798 35.8437 64.1738 in (null):F-9999 (1) and CB(38) at 51.4696 34.7843 63.9143 in (null):R-9999 (5) other bump:3.07762 Ang CD2(7) at 52.6735 37.2034 62.441 in (null):F-9999 (1) and CB(38) at 51.4696 34.7843 63.9143 in (null):R-9999 (5) other bump:2.27163 Ang CE2(9) at 51.6084 36.4361 62.9116 in (null):F-9999 (1) and CA(37) at 50.334 34.556 62.874 in (null):R-9999 (5) other bump:2.27132 Ang CZ(10) at 51.6798 35.8437 64.1738 in (null):F-9999 (1) and CA(37) at 50.334 34.556 62.874 in (null):R-9999 (5) other bump:3.13206 Ang CE2(9) at 51.6084 36.4361 62.9116 in (null):F-9999 (1) and N(36) at 50.778 33.607 61.855 in (null):R-9999 (5) neighbor-bump: 2.73538 Ang CD1(6) at 53.8608 36.79 64.4811 in (null):F-9999 (1) and CD(17) at 55.1845 34.7095 63.2972 in (null):P-9999 (2) Number of specific fragments= 1 total=2052 # 1bco.214.214 read from T0147_twice.t2k.frag # found chain 1bco in template set T0147_twice 214 :FPPERILNV 1bco 462 :LSFDDVFER Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88444 Ang CD(17) at 38.4497 33.1508 116.839 in (null):P-9999 (2) and CD(40) at 41.3189 33.4346 116.923 in (null):R-9999 (5) other bump:3.04821 Ang CG(16) at 38.3895 34.5373 116.241 in (null):P-9999 (2) and CG(39) at 41.3487 34.1805 115.603 in (null):R-9999 (5) Number of specific fragments= 1 total=2053 # 1d2zA.214.42 read from T0147_twice.t2k.frag # found chain 1d2zA in template set T0147_twice 214 :FPPERILNV 1d2zA 64 :LYPDQVEQI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.85349 Ang CD2(7) at 23.8273 38.2915 30.56 in (null):F-9999 (1) and NH2(44) at 24.0739 39.0559 28.8895 in (null):R-9999 (5) other bump:1.88497 Ang CE2(9) at 25.0872 38.9007 30.4714 in (null):F-9999 (1) and NH2(44) at 24.0739 39.0559 28.8895 in (null):R-9999 (5) other bump:2.49733 Ang CD2(7) at 23.8273 38.2915 30.56 in (null):F-9999 (1) and NH1(43) at 21.8896 39.4212 29.462 in (null):R-9999 (5) other bump:2.11592 Ang CD2(7) at 23.8273 38.2915 30.56 in (null):F-9999 (1) and CZ(42) at 22.7967 38.7363 28.7664 in (null):R-9999 (5) other bump:2.86016 Ang CE2(9) at 25.0872 38.9007 30.4714 in (null):F-9999 (1) and CZ(42) at 22.7967 38.7363 28.7664 in (null):R-9999 (5) other bump:2.70756 Ang CD(17) at 19.305 37.9522 29.5142 in (null):P-9999 (2) and CD(40) at 21.1472 37.249 27.6589 in (null):R-9999 (5) Number of specific fragments= 1 total=2054 # 1ft9A.214.163 read from T0147_twice.t2k.frag # found chain 1ft9A in template set T0147_twice 214 :FPPERILNV 1ft9A 164 :FTVEEIANL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7047 Ang CG(16) at 59.4119 12.1188 10.8466 in (null):P-9999 (2) and NH2(44) at 57.541 12.466 8.92452 in (null):R-9999 (5) other bump:2.13813 Ang CD(17) at 59.4403 11.6187 9.42097 in (null):P-9999 (2) and NH2(44) at 57.541 12.466 8.92452 in (null):R-9999 (5) other bump:2.39791 Ang CG(16) at 59.4119 12.1188 10.8466 in (null):P-9999 (2) and CZ(42) at 57.3086 11.5402 9.85096 in (null):R-9999 (5) other bump:2.17598 Ang CD(17) at 59.4403 11.6187 9.42097 in (null):P-9999 (2) and CZ(42) at 57.3086 11.5402 9.85096 in (null):R-9999 (5) other bump:2.41699 Ang CG(16) at 59.4119 12.1188 10.8466 in (null):P-9999 (2) and NE(41) at 58.021 10.4167 9.84164 in (null):R-9999 (5) other bump:1.90683 Ang CD(17) at 59.4403 11.6187 9.42097 in (null):P-9999 (2) and NE(41) at 58.021 10.4167 9.84164 in (null):R-9999 (5) other bump:3.09412 Ang CD(17) at 59.4403 11.6187 9.42097 in (null):P-9999 (2) and CD(40) at 57.8811 9.32505 10.7928 in (null):R-9999 (5) other bump:2.97676 Ang CG(16) at 59.4119 12.1188 10.8466 in (null):P-9999 (2) and CG(39) at 58.9495 9.36936 11.8896 in (null):R-9999 (5) Number of specific fragments= 1 total=2055 # 1pscA.214.220 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 214 :FPPERILNV 1pscA 221 :LSPSRVCIG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.90479 Ang CE2(9) at 47.4879 9.20587 17.6716 in (null):F-9999 (1) and CG2(51) at 48.1963 8.20174 19.127 in (null):I-9999 (6) other bump:2.77589 Ang CD2(7) at 48.3754 9.31101 16.5887 in (null):F-9999 (1) and CG2(51) at 48.1963 8.20174 19.127 in (null):I-9999 (6) other bump:2.89942 Ang CZ(10) at 46.1027 9.33084 17.4691 in (null):F-9999 (1) and CG2(51) at 48.1963 8.20174 19.127 in (null):I-9999 (6) other bump:2.77015 Ang CZ(10) at 46.1027 9.33084 17.4691 in (null):F-9999 (1) and C(46) at 45.301 9.706 20.094 in (null):R-9999 (5) other bump:2.79861 Ang CZ(10) at 46.1027 9.33084 17.4691 in (null):F-9999 (1) and O(45) at 44.769 8.635 19.829 in (null):R-9999 (5) other bump:2.48417 Ang CE1(8) at 45.6067 9.5521 16.1783 in (null):F-9999 (1) and CB(38) at 44.499 10.724 18.068 in (null):R-9999 (5) other bump:2.20716 Ang CZ(10) at 46.1027 9.33084 17.4691 in (null):F-9999 (1) and CB(38) at 44.499 10.724 18.068 in (null):R-9999 (5) other bump:2.97613 Ang CZ(10) at 46.1027 9.33084 17.4691 in (null):F-9999 (1) and CA(37) at 44.742 10.964 19.552 in (null):R-9999 (5) Number of specific fragments= 1 total=2056 # 2mysB.214.127 read from T0147_twice.t2k.frag # found chain 2mysB in template set Number of specific fragments= 0 total=2056 # 1bco.215.215 read from T0147_twice.t2k.frag # found chain 1bco in template set T0147_twice 215 :PPERILNVS 1bco 463 :SFDDVFERE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88444 Ang CD(6) at 38.4497 33.1508 116.839 in (null):P-9999 (1) and CD(29) at 41.3189 33.4346 116.923 in (null):R-9999 (4) other bump:3.0482 Ang CG(5) at 38.3895 34.5373 116.241 in (null):P-9999 (1) and CG(28) at 41.3487 34.1805 115.603 in (null):R-9999 (4) Number of specific fragments= 1 total=2057 # 2hdhA.215.216 read from T0147_twice.t2k.frag # found chain 2hdhA in template set T0147_twice 215 :PPERILNVS 2hdhA 228 :SKEDIDTAM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43448 Ang CD(6) at 55.1845 34.7095 63.2973 in (null):P-9999 (1) and NH2(33) at 56.1786 33.291 65.0079 in (null):R-9999 (4) other bump:2.63081 Ang CG(5) at 54.253 33.5517 63.0228 in (null):P-9999 (1) and CZ(31) at 54.9685 33.048 65.5038 in (null):R-9999 (4) other bump:2.49303 Ang CG(5) at 54.253 33.5517 63.0228 in (null):P-9999 (1) and NE(30) at 54.0451 34.0049 65.4654 in (null):R-9999 (4) other bump:2.54866 Ang CD(6) at 55.1845 34.7095 63.2973 in (null):P-9999 (1) and NE(30) at 54.0451 34.0049 65.4654 in (null):R-9999 (4) Number of specific fragments= 1 total=2058 # 1qbqA.215.216 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 215 :PPERILNVS 1qbqA 261 :QYTLEMIKL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39442 Ang CA(53) at 218.175 111.072 38.827 in (null):N-9999 (7) and CB(54) at 217.468 109.881 38.9906 in (null):N-9999 (7) neighbor-bump: 2.7774 Ang CB(4) at 222.356 105.435 30.231 in (null):P-9999 (1) and CD(13) at 220.628 107.376 29.2511 in (null):P-9999 (2) Number of specific fragments= 1 total=2059 # 1ft9A.215.164 read from T0147_twice.t2k.frag # found chain 1ft9A in template set T0147_twice 215 :PPERILNVS 1ft9A 165 :TVEEIANLI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.12682 Ang CG(5) at 59.0118 12.6415 10.4507 in (null):P-9999 (1) and NH2(33) at 57.541 12.466 8.92452 in (null):R-9999 (4) other bump:2.19499 Ang CD(6) at 59.4706 11.5832 9.48613 in (null):P-9999 (1) and NH2(33) at 57.541 12.466 8.92452 in (null):R-9999 (4) other bump:2.11504 Ang CG(5) at 59.0118 12.6415 10.4507 in (null):P-9999 (1) and CZ(31) at 57.3086 11.5402 9.85096 in (null):R-9999 (4) other bump:2.19294 Ang CD(6) at 59.4706 11.5832 9.48613 in (null):P-9999 (1) and CZ(31) at 57.3086 11.5402 9.85096 in (null):R-9999 (4) other bump:2.51048 Ang CG(5) at 59.0118 12.6415 10.4507 in (null):P-9999 (1) and NE(30) at 58.021 10.4167 9.84164 in (null):R-9999 (4) other bump:1.89433 Ang CD(6) at 59.4706 11.5832 9.48613 in (null):P-9999 (1) and NE(30) at 58.021 10.4167 9.84164 in (null):R-9999 (4) other bump:3.05503 Ang CD(6) at 59.4706 11.5832 9.48613 in (null):P-9999 (1) and CD(29) at 57.8811 9.32505 10.7928 in (null):R-9999 (4) Number of specific fragments= 1 total=2060 # 1d2zA.215.43 read from T0147_twice.t2k.frag # found chain 1d2zA in template set T0147_twice 215 :PPERILNVS 1d2zA 65 :YPDQVEQIS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65554 Ang CG(5) at 18.6317 36.9893 28.4692 in (null):P-9999 (1) and CD(29) at 21.1472 37.249 27.6589 in (null):R-9999 (4) other bump:2.56921 Ang CD(6) at 19.4129 37.8091 29.4697 in (null):P-9999 (1) and CD(29) at 21.1472 37.249 27.6589 in (null):R-9999 (4) other bump:3.03866 Ang CG(5) at 18.6317 36.9893 28.4692 in (null):P-9999 (1) and CG(28) at 21.1726 35.748 27.3572 in (null):R-9999 (4) Number of specific fragments= 1 total=2061 # 1sig.215.215 read from T0147_twice.t2k.frag # adding 1sig to template set 1sig:# found chain 1sig in template set T0147_twice 215 :PPERILNVS 1sig 325 :PWSEKLHDV Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.3903 Ang CZ(31) at 6.73669 23.0397 7.19511 in (null):R-9999 (4) and ND2(56) at 8.39133 22.8201 8.90609 in (null):N-9999 (7) other bump:2.20633 Ang NH1(32) at 7.90997 22.5874 6.76553 in (null):R-9999 (4) and ND2(56) at 8.39133 22.8201 8.90609 in (null):N-9999 (7) other bump:2.24898 Ang NH2(33) at 6.69865 24.0397 8.06623 in (null):R-9999 (4) and ND2(56) at 8.39133 22.8201 8.90609 in (null):N-9999 (7) neighbor-bump: 2.47486 Ang CA(3) at 2.343 13.398 7.245 in (null):P-9999 (1) and CD(13) at 4.08346 11.8026 7.98682 in (null):P-9999 (2) neighbor-bump: 2.74304 Ang CB(4) at 1.397 12.281 7.707 in (null):P-9999 (1) and CD(13) at 4.08346 11.8026 7.98682 in (null):P-9999 (2) neighbor-bump: 2.06154 Ang C(8) at 3.441 13.741 8.269 in (null):P-9999 (1) and CD(13) at 4.08346 11.8026 7.98682 in (null):P-9999 (2) self-bump: 1.27691 Ang N(9) at 4.503 12.951 8.355 in (null):P-9999 (2) and CD(13) at 4.08346 11.8026 7.98682 in (null):P-9999 (2) self-bump: 2.14317 Ang N(9) at 4.503 12.951 8.355 in (null):P-9999 (2) and CG(12) at 4.86711 10.9224 8.94256 in (null):P-9999 (2) Number of specific fragments= 1 total=2062 # 1qbqA.216.217 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 216 :PERILNVSP 1qbqA 262 :YTLEMIKLV Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.08339 Ang CB(62) at 222.305 114.928 38.6356 in (null):S-9999 (8) and CD(70) at 220.733 115.827 39.6665 in (null):P-9999 (9) neighbor-bump: 1.98645 Ang CA(61) at 222.068 114.371 39.876 in (null):S-9999 (8) and CD(70) at 220.733 115.827 39.6665 in (null):P-9999 (9) neighbor-bump: 1.82316 Ang O(64) at 221.512 116.229 41.265 in (null):S-9999 (8) and CD(70) at 220.733 115.827 39.6665 in (null):P-9999 (9) neighbor-bump: 1.12281 Ang C(65) at 221.094 115.295 40.587 in (null):S-9999 (8) and CD(70) at 220.733 115.827 39.6665 in (null):P-9999 (9) neighbor-bump: 2.38475 Ang O(64) at 221.512 116.229 41.265 in (null):S-9999 (8) and CG(69) at 220.039 117.176 39.6463 in (null):P-9999 (9) neighbor-bump: 2.35298 Ang C(65) at 221.094 115.295 40.587 in (null):S-9999 (8) and CG(69) at 220.039 117.176 39.6463 in (null):P-9999 (9) self-bump: 1.3803 Ang CA(61) at 222.068 114.371 39.876 in (null):S-9999 (8) and CB(62) at 222.305 114.928 38.6356 in (null):S-9999 (8) self-bump: 1.39442 Ang CA(46) at 218.175 111.072 38.827 in (null):N-9999 (6) and CB(47) at 217.468 109.881 38.9906 in (null):N-9999 (6) Number of specific fragments= 1 total=2063 # 1bco.216.216 read from T0147_twice.t2k.frag # found chain 1bco in template set T0147_twice 216 :PERILNVSP 1bco 464 :FDDVFEREY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.64007 Ang N(60) at 43.592 31.312 106.817 in (null):S-9999 (8) and CD(70) at 42.563 33.4843 105.725 in (null):P-9999 (9) other bump:1.32957 Ang O(43) at 42.039 34.37 106.567 in (null):L-9999 (5) and CD(70) at 42.563 33.4843 105.725 in (null):P-9999 (9) other bump:2.45156 Ang C(44) at 41.44 34.532 107.636 in (null):L-9999 (5) and CD(70) at 42.563 33.4843 105.725 in (null):P-9999 (9) other bump:1.43434 Ang O(43) at 42.039 34.37 106.567 in (null):L-9999 (5) and CG(69) at 41.9982 34.7894 105.196 in (null):P-9999 (9) other bump:2.51628 Ang C(44) at 41.44 34.532 107.636 in (null):L-9999 (5) and CG(69) at 41.9982 34.7894 105.196 in (null):P-9999 (9) other bump:2.67081 Ang O(43) at 42.039 34.37 106.567 in (null):L-9999 (5) and CB(68) at 43.0704 35.3122 104.291 in (null):P-9999 (9) Number of specific fragments= 1 total=2064 # 1ft9A.216.165 read from T0147_twice.t2k.frag # found chain 1ft9A in template set T0147_twice 216 :PERILNVSP 1ft9A 166 :VEEIANLIG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.17327 Ang CA(61) at 68.474 3.629 12.698 in (null):S-9999 (8) and CD(70) at 69.2855 2.63493 14.452 in (null):P-9999 (9) neighbor-bump: 0.890006 Ang O(64) at 70.12 2.87 14.251 in (null):S-9999 (8) and CD(70) at 69.2855 2.63493 14.452 in (null):P-9999 (9) neighbor-bump: 0.891501 Ang C(65) at 69.026 3.41 14.096 in (null):S-9999 (8) and CD(70) at 69.2855 2.63493 14.452 in (null):P-9999 (9) neighbor-bump: 1.41367 Ang O(64) at 70.12 2.87 14.251 in (null):S-9999 (8) and CG(69) at 70.2594 2.36218 15.5629 in (null):P-9999 (9) neighbor-bump: 2.18427 Ang C(65) at 69.026 3.41 14.096 in (null):S-9999 (8) and CG(69) at 70.2594 2.36218 15.5629 in (null):P-9999 (9) self-bump: 1.37592 Ang CA(67) at 68.723 3.651 16.479 in (null):P-9999 (9) and CB(68) at 69.4079 2.49737 16.7843 in (null):P-9999 (9) Number of specific fragments= 1 total=2065 # 2hdhA.216.217 read from T0147_twice.t2k.frag # found chain 2hdhA in template set T0147_twice 216 :PERILNVSP 2hdhA 229 :KEDIDTAMK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2066 # 1qs0A.216.216 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 216 :PERILNVSP 1qs0A 218 :ESDFHTALT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.40206 Ang O(43) at 4.616 -1.487 98.165 in (null):L-9999 (5) and CD(70) at 5.84897 -1.23743 97.5459 in (null):P-9999 (9) other bump:2.60511 Ang C(44) at 3.756 -1.831 98.979 in (null):L-9999 (5) and CD(70) at 5.84897 -1.23743 97.5459 in (null):P-9999 (9) other bump:2.9995 Ang C(52) at 6.364 -2.619 100.158 in (null):N-9999 (6) and CD(70) at 5.84897 -1.23743 97.5459 in (null):P-9999 (9) other bump:2.16519 Ang O(43) at 4.616 -1.487 98.165 in (null):L-9999 (5) and CG(69) at 5.80207 0.269077 97.7206 in (null):P-9999 (9) other bump:3.19065 Ang C(44) at 3.756 -1.831 98.979 in (null):L-9999 (5) and CG(69) at 5.80207 0.269077 97.7206 in (null):P-9999 (9) Number of specific fragments= 1 total=2067 # 1sig.216.216 read from T0147_twice.t2k.frag # found chain 1sig in template set T0147_twice 216 :PERILNVSP 1sig 326 :WSEKLHDVS Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92692 Ang CA(46) at 10.255 21.385 11.779 in (null):N-9999 (6) and CD(70) at 12.6699 21.1622 13.4177 in (null):P-9999 (9) neighbor-bump: 2.38747 Ang N(60) at 11.799 19.608 15.007 in (null):S-9999 (8) and CD(70) at 12.6699 21.1622 13.4177 in (null):P-9999 (9) other bump:2.00885 Ang O(51) at 11.193 22.498 13.682 in (null):N-9999 (6) and CD(70) at 12.6699 21.1622 13.4177 in (null):P-9999 (9) other bump:2.30693 Ang C(52) at 10.417 21.634 13.264 in (null):N-9999 (6) and CD(70) at 12.6699 21.1622 13.4177 in (null):P-9999 (9) other bump:2.76015 Ang CA(46) at 10.255 21.385 11.779 in (null):N-9999 (6) and CG(69) at 12.9576 21.8481 12.0951 in (null):P-9999 (9) other bump:2.46057 Ang O(51) at 11.193 22.498 13.682 in (null):N-9999 (6) and CG(69) at 12.9576 21.8481 12.0951 in (null):P-9999 (9) other bump:2.80477 Ang C(52) at 10.417 21.634 13.264 in (null):N-9999 (6) and CG(69) at 12.9576 21.8481 12.0951 in (null):P-9999 (9) other bump:2.3903 Ang CZ(24) at 6.73669 23.0397 7.19511 in (null):R-9999 (3) and ND2(49) at 8.39133 22.8201 8.90609 in (null):N-9999 (6) other bump:2.24898 Ang NH2(26) at 6.69865 24.0397 8.06623 in (null):R-9999 (3) and ND2(49) at 8.39133 22.8201 8.90609 in (null):N-9999 (6) other bump:2.20633 Ang NH1(25) at 7.90997 22.5874 6.76553 in (null):R-9999 (3) and ND2(49) at 8.39133 22.8201 8.90609 in (null):N-9999 (6) neighbor-bump: 2.06154 Ang C(1) at 3.441 13.741 8.269 in (null):G-9999 (0) and CD(6) at 4.08346 11.8026 7.98682 in (null):P-9999 (1) self-bump: 1.27691 Ang N(2) at 4.503 12.951 8.355 in (null):P-9999 (1) and CD(6) at 4.08346 11.8026 7.98682 in (null):P-9999 (1) self-bump: 2.14317 Ang N(2) at 4.503 12.951 8.355 in (null):P-9999 (1) and CG(5) at 4.86711 10.9224 8.94256 in (null):P-9999 (1) Number of specific fragments= 1 total=2068 # 1qbqA.217.218 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 217 :ERILNVSPR 1qbqA 263 :TLEMIKLVP Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.15042 Ang C(45) at 219.339 111.149 39.818 in (null):N-9999 (5) and CD(70) at 219.732 110.785 42.9226 in (null):R-9999 (9) other bump:2.28549 Ang O(44) at 219.214 111.719 40.902 in (null):N-9999 (5) and CD(70) at 219.732 110.785 42.9226 in (null):R-9999 (9) other bump:3.26453 Ang CA(47) at 221.65 110.596 40.288 in (null):V-9999 (6) and CD(70) at 219.732 110.785 42.9226 in (null):R-9999 (9) neighbor-bump: 2.75154 Ang CB(55) at 222.305 114.928 38.6356 in (null):S-9999 (7) and CD(63) at 219.726 115.801 39.0375 in (null):P-9999 (8) neighbor-bump: 2.12781 Ang C(58) at 221.094 115.295 40.587 in (null):S-9999 (7) and CD(63) at 219.726 115.801 39.0375 in (null):P-9999 (8) neighbor-bump: 2.57618 Ang C(58) at 221.094 115.295 40.587 in (null):S-9999 (7) and CG(62) at 219.664 117.194 39.5958 in (null):P-9999 (8) self-bump: 1.36933 Ang CA(60) at 218.732 115.814 41.074 in (null):P-9999 (8) and CB(61) at 218.579 117.098 40.6223 in (null):P-9999 (8) self-bump: 1.3803 Ang CA(54) at 222.068 114.371 39.876 in (null):S-9999 (7) and CB(55) at 222.305 114.928 38.6356 in (null):S-9999 (7) self-bump: 1.39442 Ang CA(39) at 218.175 111.072 38.827 in (null):N-9999 (5) and CB(40) at 217.468 109.881 38.9906 in (null):N-9999 (5) Number of specific fragments= 1 total=2069 # 1qs0A.217.217 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 217 :ERILNVSPR 1qs0A 219 :SDFHTALTF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.40206 Ang O(36) at 4.616 -1.487 98.165 in (null):L-9999 (4) and CD(63) at 5.84897 -1.23743 97.5459 in (null):P-9999 (8) other bump:2.60511 Ang C(37) at 3.756 -1.831 98.979 in (null):L-9999 (4) and CD(63) at 5.84897 -1.23743 97.5459 in (null):P-9999 (8) other bump:2.9995 Ang C(45) at 6.364 -2.619 100.158 in (null):N-9999 (5) and CD(63) at 5.84897 -1.23743 97.5459 in (null):P-9999 (8) other bump:2.16519 Ang O(36) at 4.616 -1.487 98.165 in (null):L-9999 (4) and CG(62) at 5.80207 0.269075 97.7206 in (null):P-9999 (8) other bump:3.19064 Ang C(37) at 3.756 -1.831 98.979 in (null):L-9999 (4) and CG(62) at 5.80207 0.269075 97.7206 in (null):P-9999 (8) Number of specific fragments= 1 total=2070 # 1bco.217.217 read from T0147_twice.t2k.frag # found chain 1bco in template set T0147_twice 217 :ERILNVSPR 1bco 465 :DDVFEREYA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.64006 Ang N(53) at 43.592 31.312 106.817 in (null):S-9999 (7) and CD(63) at 42.563 33.4843 105.725 in (null):P-9999 (8) other bump:1.32956 Ang O(36) at 42.039 34.37 106.567 in (null):L-9999 (4) and CD(63) at 42.563 33.4843 105.725 in (null):P-9999 (8) other bump:2.45156 Ang C(37) at 41.44 34.532 107.636 in (null):L-9999 (4) and CD(63) at 42.563 33.4843 105.725 in (null):P-9999 (8) other bump:1.43434 Ang O(36) at 42.039 34.37 106.567 in (null):L-9999 (4) and CG(62) at 41.9982 34.7894 105.196 in (null):P-9999 (8) other bump:2.51628 Ang C(37) at 41.44 34.532 107.636 in (null):L-9999 (4) and CG(62) at 41.9982 34.7894 105.196 in (null):P-9999 (8) other bump:2.6708 Ang O(36) at 42.039 34.37 106.567 in (null):L-9999 (4) and CB(61) at 43.0704 35.3122 104.291 in (null):P-9999 (8) Number of specific fragments= 1 total=2071 # 1sig.217.217 read from T0147_twice.t2k.frag # found chain 1sig in template set T0147_twice 217 :ERILNVSPR 1sig 327 :SEKLHDVSE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92692 Ang CA(39) at 10.255 21.385 11.779 in (null):N-9999 (5) and CD(63) at 12.6699 21.1622 13.4177 in (null):P-9999 (8) other bump:2.00885 Ang O(44) at 11.193 22.498 13.682 in (null):N-9999 (5) and CD(63) at 12.6699 21.1622 13.4177 in (null):P-9999 (8) other bump:2.30693 Ang C(45) at 10.417 21.634 13.264 in (null):N-9999 (5) and CD(63) at 12.6699 21.1622 13.4177 in (null):P-9999 (8) neighbor-bump: 2.38748 Ang N(53) at 11.799 19.608 15.007 in (null):S-9999 (7) and CD(63) at 12.6699 21.1622 13.4177 in (null):P-9999 (8) other bump:2.76016 Ang CA(39) at 10.255 21.385 11.779 in (null):N-9999 (5) and CG(62) at 12.9576 21.8481 12.0951 in (null):P-9999 (8) other bump:2.46057 Ang O(44) at 11.193 22.498 13.682 in (null):N-9999 (5) and CG(62) at 12.9576 21.8481 12.0951 in (null):P-9999 (8) other bump:2.80478 Ang C(45) at 10.417 21.634 13.264 in (null):N-9999 (5) and CG(62) at 12.9576 21.8481 12.0951 in (null):P-9999 (8) other bump:2.3903 Ang CZ(17) at 6.73669 23.0397 7.19511 in (null):R-9999 (2) and ND2(42) at 8.39133 22.8201 8.90609 in (null):N-9999 (5) other bump:2.24898 Ang NH2(19) at 6.69865 24.0397 8.06623 in (null):R-9999 (2) and ND2(42) at 8.39133 22.8201 8.90609 in (null):N-9999 (5) other bump:2.20632 Ang NH1(18) at 7.90997 22.5874 6.76553 in (null):R-9999 (2) and ND2(42) at 8.39133 22.8201 8.90609 in (null):N-9999 (5) Number of specific fragments= 1 total=2072 # 1kcmA.217.217 read from T0147_twice.t2k.frag # found chain 1kcmA in template set T0147_twice 217 :ERILNVSPR 1kcmA 219 :KRLFTNFHR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.8843 Ang O(36) at 28.348 14.703 15.899 in (null):L-9999 (4) and CD(63) at 29.1146 16.4218 15.806 in (null):P-9999 (8) other bump:2.84919 Ang C(37) at 27.478 14.174 15.184 in (null):L-9999 (4) and CD(63) at 29.1146 16.4218 15.806 in (null):P-9999 (8) self-bump: 1.38866 Ang N(59) at 30.231 17.247 15.774 in (null):P-9999 (8) and CD(63) at 29.1146 16.4218 15.806 in (null):P-9999 (8) other bump:2.00394 Ang O(36) at 28.348 14.703 15.899 in (null):L-9999 (4) and CG(62) at 29.107 15.9691 17.2542 in (null):P-9999 (8) other bump:3.18778 Ang C(37) at 27.478 14.174 15.184 in (null):L-9999 (4) and CG(62) at 29.107 15.9691 17.2542 in (null):P-9999 (8) Number of specific fragments= 1 total=2073 # 2bnh.217.217 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 217 :ERILNVSPR 2bnh 217 :IVASQASLR Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19704 Ang O(44) at 25.811 49.592 29.517 in (null):N-9999 (5) and CD(63) at 26.2847 47.8736 28.2326 in (null):P-9999 (8) other bump:2.9113 Ang C(52) at 27.961 50.097 27.383 in (null):V-9999 (6) and CD(63) at 26.2847 47.8736 28.2326 in (null):P-9999 (8) neighbor-bump: 2.45757 Ang N(53) at 28.421 48.853 27.514 in (null):S-9999 (7) and CD(63) at 26.2847 47.8736 28.2326 in (null):P-9999 (8) other bump:2.64428 Ang C(45) at 26.833 49.574 30.182 in (null):N-9999 (5) and CD(63) at 26.2847 47.8736 28.2326 in (null):P-9999 (8) other bump:2.71133 Ang CB(40) at 25.6003 47.9072 31.5476 in (null):N-9999 (5) and CG(62) at 25.1981 47.1487 28.9758 in (null):P-9999 (8) other bump:3.16384 Ang C(45) at 26.833 49.574 30.182 in (null):N-9999 (5) and CG(62) at 25.1981 47.1487 28.9758 in (null):P-9999 (8) other bump:2.58788 Ang CB(4) at 23.5528 46.0108 35.6779 in (null):E-9999 (1) and ND2(42) at 24.7089 47.1219 33.6467 in (null):N-9999 (5) other bump:2.5198 Ang CA(3) at 23.814 47.43 35.982 in (null):E-9999 (1) and ND2(42) at 24.7089 47.1219 33.6467 in (null):N-9999 (5) other bump:1.69287 Ang O(9) at 24.51 48.746 34.081 in (null):E-9999 (1) and ND2(42) at 24.7089 47.1219 33.6467 in (null):N-9999 (5) other bump:1.92427 Ang C(10) at 23.571 48.254 34.708 in (null):E-9999 (1) and ND2(42) at 24.7089 47.1219 33.6467 in (null):N-9999 (5) other bump:2.48943 Ang O(9) at 24.51 48.746 34.081 in (null):E-9999 (1) and CG(41) at 25.6758 46.9932 32.7522 in (null):N-9999 (5) other bump:3.13768 Ang C(10) at 23.571 48.254 34.708 in (null):E-9999 (1) and CG(41) at 25.6758 46.9932 32.7522 in (null):N-9999 (5) Number of specific fragments= 1 total=2074 # 1qbqA.218.219 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 218 :RILNVSPRR 1qbqA 264 :LEMIKLVPH Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.15043 Ang C(36) at 219.339 111.149 39.818 in (null):N-9999 (4) and CD(61) at 219.731 110.785 42.9226 in (null):R-9999 (8) other bump:2.2855 Ang O(35) at 219.214 111.719 40.902 in (null):N-9999 (4) and CD(61) at 219.731 110.785 42.9226 in (null):R-9999 (8) other bump:3.26456 Ang CA(38) at 221.65 110.596 40.288 in (null):V-9999 (5) and CD(61) at 219.731 110.785 42.9226 in (null):R-9999 (8) neighbor-bump: 2.75154 Ang CB(46) at 222.305 114.928 38.6356 in (null):S-9999 (6) and CD(54) at 219.726 115.801 39.0375 in (null):P-9999 (7) neighbor-bump: 2.12781 Ang C(49) at 221.094 115.295 40.587 in (null):S-9999 (6) and CD(54) at 219.726 115.801 39.0375 in (null):P-9999 (7) neighbor-bump: 2.57618 Ang C(49) at 221.094 115.295 40.587 in (null):S-9999 (6) and CG(53) at 219.664 117.194 39.5958 in (null):P-9999 (7) self-bump: 1.36933 Ang CA(51) at 218.732 115.814 41.074 in (null):P-9999 (7) and CB(52) at 218.579 117.098 40.6223 in (null):P-9999 (7) self-bump: 1.3803 Ang CA(45) at 222.068 114.371 39.876 in (null):S-9999 (6) and CB(46) at 222.305 114.928 38.6356 in (null):S-9999 (6) self-bump: 1.39442 Ang CA(30) at 218.175 111.072 38.827 in (null):N-9999 (4) and CB(31) at 217.468 109.881 38.9906 in (null):N-9999 (4) Number of specific fragments= 1 total=2075 # 1qs0A.218.218 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 218 :RILNVSPRR 1qs0A 220 :DFHTALTFA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.40206 Ang O(27) at 4.616 -1.487 98.165 in (null):L-9999 (3) and CD(54) at 5.84897 -1.23743 97.5459 in (null):P-9999 (7) other bump:2.60511 Ang C(28) at 3.756 -1.831 98.979 in (null):L-9999 (3) and CD(54) at 5.84897 -1.23743 97.5459 in (null):P-9999 (7) other bump:2.9995 Ang C(36) at 6.364 -2.619 100.158 in (null):N-9999 (4) and CD(54) at 5.84897 -1.23743 97.5459 in (null):P-9999 (7) other bump:2.16519 Ang O(27) at 4.616 -1.487 98.165 in (null):L-9999 (3) and CG(53) at 5.80207 0.269075 97.7206 in (null):P-9999 (7) other bump:3.19064 Ang C(28) at 3.756 -1.831 98.979 in (null):L-9999 (3) and CG(53) at 5.80207 0.269075 97.7206 in (null):P-9999 (7) Number of specific fragments= 1 total=2076 # 1bco.218.218 read from T0147_twice.t2k.frag # found chain 1bco in template set T0147_twice 218 :RILNVSPRR 1bco 466 :DVFEREYAR Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.64006 Ang N(44) at 43.592 31.312 106.817 in (null):S-9999 (6) and CD(54) at 42.563 33.4843 105.725 in (null):P-9999 (7) other bump:1.32956 Ang O(27) at 42.039 34.37 106.567 in (null):L-9999 (3) and CD(54) at 42.563 33.4843 105.725 in (null):P-9999 (7) other bump:2.45156 Ang C(28) at 41.44 34.532 107.636 in (null):L-9999 (3) and CD(54) at 42.563 33.4843 105.725 in (null):P-9999 (7) other bump:1.43434 Ang O(27) at 42.039 34.37 106.567 in (null):L-9999 (3) and CG(53) at 41.9982 34.7894 105.196 in (null):P-9999 (7) other bump:2.51628 Ang C(28) at 41.44 34.532 107.636 in (null):L-9999 (3) and CG(53) at 41.9982 34.7894 105.196 in (null):P-9999 (7) other bump:2.6708 Ang O(27) at 42.039 34.37 106.567 in (null):L-9999 (3) and CB(52) at 43.0704 35.3122 104.291 in (null):P-9999 (7) Number of specific fragments= 1 total=2077 # 1kcmA.218.218 read from T0147_twice.t2k.frag # found chain 1kcmA in template set T0147_twice 218 :RILNVSPRR 1kcmA 220 :RLFTNFHRQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.8843 Ang O(27) at 28.348 14.703 15.899 in (null):L-9999 (3) and CD(54) at 29.1146 16.4218 15.806 in (null):P-9999 (7) other bump:2.84919 Ang C(28) at 27.478 14.174 15.184 in (null):L-9999 (3) and CD(54) at 29.1146 16.4218 15.806 in (null):P-9999 (7) self-bump: 1.38866 Ang N(50) at 30.231 17.247 15.774 in (null):P-9999 (7) and CD(54) at 29.1146 16.4218 15.806 in (null):P-9999 (7) other bump:2.00394 Ang O(27) at 28.348 14.703 15.899 in (null):L-9999 (3) and CG(53) at 29.107 15.9691 17.2542 in (null):P-9999 (7) other bump:3.18778 Ang C(28) at 27.478 14.174 15.184 in (null):L-9999 (3) and CG(53) at 29.107 15.9691 17.2542 in (null):P-9999 (7) Number of specific fragments= 1 total=2078 # 1sig.218.218 read from T0147_twice.t2k.frag # found chain 1sig in template set T0147_twice 218 :RILNVSPRR 1sig 328 :EKLHDVSEE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92692 Ang CA(30) at 10.255 21.385 11.779 in (null):N-9999 (4) and CD(54) at 12.6699 21.1622 13.4177 in (null):P-9999 (7) other bump:2.30693 Ang C(36) at 10.417 21.634 13.264 in (null):N-9999 (4) and CD(54) at 12.6699 21.1622 13.4177 in (null):P-9999 (7) other bump:2.00885 Ang O(35) at 11.193 22.498 13.682 in (null):N-9999 (4) and CD(54) at 12.6699 21.1622 13.4177 in (null):P-9999 (7) neighbor-bump: 2.38748 Ang N(44) at 11.799 19.608 15.007 in (null):S-9999 (6) and CD(54) at 12.6699 21.1622 13.4177 in (null):P-9999 (7) other bump:2.76016 Ang CA(30) at 10.255 21.385 11.779 in (null):N-9999 (4) and CG(53) at 12.9576 21.8481 12.0951 in (null):P-9999 (7) other bump:2.80478 Ang C(36) at 10.417 21.634 13.264 in (null):N-9999 (4) and CG(53) at 12.9576 21.8481 12.0951 in (null):P-9999 (7) other bump:2.46057 Ang O(35) at 11.193 22.498 13.682 in (null):N-9999 (4) and CG(53) at 12.9576 21.8481 12.0951 in (null):P-9999 (7) other bump:2.39031 Ang CZ(8) at 6.73668 23.0397 7.19511 in (null):R-9999 (1) and ND2(33) at 8.39133 22.8201 8.90609 in (null):N-9999 (4) other bump:2.24899 Ang NH2(10) at 6.69864 24.0397 8.06623 in (null):R-9999 (1) and ND2(33) at 8.39133 22.8201 8.90609 in (null):N-9999 (4) other bump:2.20633 Ang NH1(9) at 7.90996 22.5874 6.76553 in (null):R-9999 (1) and ND2(33) at 8.39133 22.8201 8.90609 in (null):N-9999 (4) Number of specific fragments= 1 total=2079 # 1ft9A.218.167 read from T0147_twice.t2k.frag # found chain 1ft9A in template set T0147_twice 218 :RILNVSPRR 1ft9A 168 :EIANLIGSS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05532 Ang CG(24) at 67.4284 10.7974 14.8781 in (null):L-9999 (3) and CA(80) at 67.973 12.223 17.525 in (null):G-9999 (10) other bump:1.82713 Ang CD1(25) at 67.2517 11.9228 15.8733 in (null):L-9999 (3) and CA(80) at 67.973 12.223 17.525 in (null):G-9999 (10) other bump:2.43745 Ang CD2(26) at 68.9022 10.4339 14.7422 in (null):L-9999 (3) and O(77) at 70.035 10.512 16.899 in (null):R-9999 (9) neighbor-bump: 1.89052 Ang CA(45) at 68.474 3.629 12.698 in (null):S-9999 (6) and CD(54) at 68.9044 2.69735 14.2857 in (null):P-9999 (7) neighbor-bump: 0.747438 Ang C(49) at 69.026 3.41 14.096 in (null):S-9999 (6) and CD(54) at 68.9044 2.69735 14.2857 in (null):P-9999 (7) neighbor-bump: 1.22833 Ang O(48) at 70.12 2.87 14.251 in (null):S-9999 (6) and CD(54) at 68.9044 2.69735 14.2857 in (null):P-9999 (7) neighbor-bump: 2.15834 Ang C(49) at 69.026 3.41 14.096 in (null):S-9999 (6) and CG(53) at 69.2269 1.6643 15.3492 in (null):P-9999 (7) neighbor-bump: 1.85943 Ang O(48) at 70.12 2.87 14.251 in (null):S-9999 (6) and CG(53) at 69.2269 1.6643 15.3492 in (null):P-9999 (7) neighbor-bump: 2.68614 Ang C(49) at 69.026 3.41 14.096 in (null):S-9999 (6) and CB(52) at 69.605 2.47832 16.548 in (null):P-9999 (7) Number of specific fragments= 1 total=2080 # 1qbqA.219.220 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 219 :ILNVSPRRL 1qbqA 265 :EMIKLVPHN Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2855 Ang O(24) at 219.214 111.719 40.902 in (null):N-9999 (3) and CD(50) at 219.731 110.785 42.9226 in (null):R-9999 (7) other bump:3.15042 Ang C(25) at 219.339 111.149 39.818 in (null):N-9999 (3) and CD(50) at 219.731 110.785 42.9226 in (null):R-9999 (7) other bump:3.26454 Ang CA(27) at 221.65 110.596 40.288 in (null):V-9999 (4) and CD(50) at 219.731 110.785 42.9226 in (null):R-9999 (7) neighbor-bump: 2.75152 Ang CB(35) at 222.305 114.928 38.6356 in (null):S-9999 (5) and CD(43) at 219.726 115.801 39.0375 in (null):P-9999 (6) neighbor-bump: 2.12782 Ang C(38) at 221.094 115.295 40.587 in (null):S-9999 (5) and CD(43) at 219.726 115.801 39.0375 in (null):P-9999 (6) neighbor-bump: 2.57618 Ang C(38) at 221.094 115.295 40.587 in (null):S-9999 (5) and CG(42) at 219.664 117.194 39.5958 in (null):P-9999 (6) self-bump: 1.36933 Ang CA(40) at 218.732 115.814 41.074 in (null):P-9999 (6) and CB(41) at 218.579 117.098 40.6223 in (null):P-9999 (6) self-bump: 1.3803 Ang CA(34) at 222.068 114.371 39.876 in (null):S-9999 (5) and CB(35) at 222.305 114.928 38.6356 in (null):S-9999 (5) self-bump: 1.39442 Ang CA(19) at 218.175 111.072 38.827 in (null):N-9999 (3) and CB(20) at 217.468 109.881 38.9906 in (null):N-9999 (3) Number of specific fragments= 1 total=2081 # 1qs0A.219.219 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 219 :ILNVSPRRL 1qs0A 221 :FHTALTFAH Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13703 Ang CG1(29) at 7.17336 -7.17864 98.4517 in (null):V-9999 (4) and CD(61) at 8.92504 -7.06888 95.8516 in (null):R-9999 (8) other bump:1.40206 Ang O(16) at 4.616 -1.487 98.165 in (null):L-9999 (2) and CD(43) at 5.84897 -1.23743 97.5459 in (null):P-9999 (6) other bump:2.60511 Ang C(17) at 3.756 -1.831 98.979 in (null):L-9999 (2) and CD(43) at 5.84897 -1.23743 97.5459 in (null):P-9999 (6) other bump:2.9995 Ang C(25) at 6.364 -2.619 100.158 in (null):N-9999 (3) and CD(43) at 5.84897 -1.23743 97.5459 in (null):P-9999 (6) other bump:2.16519 Ang O(16) at 4.616 -1.487 98.165 in (null):L-9999 (2) and CG(42) at 5.80207 0.269075 97.7206 in (null):P-9999 (6) other bump:3.19064 Ang C(17) at 3.756 -1.831 98.979 in (null):L-9999 (2) and CG(42) at 5.80207 0.269075 97.7206 in (null):P-9999 (6) Number of specific fragments= 1 total=2082 # 2bnh.219.219 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 219 :ILNVSPRRL 2bnh 219 :ASQASLREL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19704 Ang O(24) at 25.811 49.592 29.517 in (null):N-9999 (3) and CD(43) at 26.2847 47.8736 28.2326 in (null):P-9999 (6) other bump:2.9113 Ang C(32) at 27.961 50.097 27.383 in (null):V-9999 (4) and CD(43) at 26.2847 47.8736 28.2326 in (null):P-9999 (6) neighbor-bump: 2.45757 Ang N(33) at 28.421 48.853 27.514 in (null):S-9999 (5) and CD(43) at 26.2847 47.8736 28.2326 in (null):P-9999 (6) other bump:2.64428 Ang C(25) at 26.833 49.574 30.182 in (null):N-9999 (3) and CD(43) at 26.2847 47.8736 28.2326 in (null):P-9999 (6) other bump:2.71133 Ang CB(20) at 25.6003 47.9072 31.5476 in (null):N-9999 (3) and CG(42) at 25.1981 47.1487 28.9758 in (null):P-9999 (6) other bump:3.16384 Ang C(25) at 26.833 49.574 30.182 in (null):N-9999 (3) and CG(42) at 25.1981 47.1487 28.9758 in (null):P-9999 (6) Number of specific fragments= 1 total=2083 # 1sig.219.219 read from T0147_twice.t2k.frag # found chain 1sig in template set T0147_twice 219 :ILNVSPRRL 1sig 329 :KLHDVSEEV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92692 Ang CA(19) at 10.255 21.385 11.779 in (null):N-9999 (3) and CD(43) at 12.6699 21.1622 13.4177 in (null):P-9999 (6) neighbor-bump: 2.38748 Ang N(33) at 11.799 19.608 15.007 in (null):S-9999 (5) and CD(43) at 12.6699 21.1622 13.4177 in (null):P-9999 (6) other bump:2.00885 Ang O(24) at 11.193 22.498 13.682 in (null):N-9999 (3) and CD(43) at 12.6699 21.1622 13.4177 in (null):P-9999 (6) other bump:2.30693 Ang C(25) at 10.417 21.634 13.264 in (null):N-9999 (3) and CD(43) at 12.6699 21.1622 13.4177 in (null):P-9999 (6) other bump:2.76016 Ang CA(19) at 10.255 21.385 11.779 in (null):N-9999 (3) and CG(42) at 12.9576 21.8481 12.0951 in (null):P-9999 (6) other bump:2.46057 Ang O(24) at 11.193 22.498 13.682 in (null):N-9999 (3) and CG(42) at 12.9576 21.8481 12.0951 in (null):P-9999 (6) other bump:2.80478 Ang C(25) at 10.417 21.634 13.264 in (null):N-9999 (3) and CG(42) at 12.9576 21.8481 12.0951 in (null):P-9999 (6) Number of specific fragments= 1 total=2084 # 1kcmA.219.219 read from T0147_twice.t2k.frag # found chain 1kcmA in template set T0147_twice 219 :ILNVSPRRL 1kcmA 221 :LFTNFHRQL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.10716 Ang CG1(29) at 30.0367 17.0402 9.65189 in (null):V-9999 (4) and CZ(63) at 30.7849 19.8003 8.43676 in (null):R-9999 (8) other bump:2.84919 Ang C(17) at 27.478 14.174 15.184 in (null):L-9999 (2) and CD(43) at 29.1146 16.4218 15.806 in (null):P-9999 (6) other bump:1.8843 Ang O(16) at 28.348 14.703 15.899 in (null):L-9999 (2) and CD(43) at 29.1146 16.4218 15.806 in (null):P-9999 (6) self-bump: 1.38866 Ang N(39) at 30.231 17.247 15.774 in (null):P-9999 (6) and CD(43) at 29.1146 16.4218 15.806 in (null):P-9999 (6) other bump:3.18778 Ang C(17) at 27.478 14.174 15.184 in (null):L-9999 (2) and CG(42) at 29.107 15.9691 17.2542 in (null):P-9999 (6) other bump:2.00394 Ang O(16) at 28.348 14.703 15.899 in (null):L-9999 (2) and CG(42) at 29.107 15.9691 17.2542 in (null):P-9999 (6) Number of specific fragments= 1 total=2085 # 2dri.219.220 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 219 :ILNVSPRRL 2dri 221 :EKAVNDGKL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44975 Ang CA(34) at 37.083 44.32 58.868 in (null):S-9999 (5) and CD(43) at 39.1826 45.5626 59.0896 in (null):P-9999 (6) neighbor-bump: 2.06849 Ang C(38) at 37.136 45.777 59.3 in (null):S-9999 (5) and CD(43) at 39.1826 45.5626 59.0896 in (null):P-9999 (6) neighbor-bump: 2.50485 Ang N(33) at 37.795 44.078 57.625 in (null):S-9999 (5) and CD(43) at 39.1826 45.5626 59.0896 in (null):P-9999 (6) other bump:1.45925 Ang O(16) at 40.475 44.962 58.776 in (null):L-9999 (2) and CD(43) at 39.1826 45.5626 59.0896 in (null):P-9999 (6) neighbor-bump: 2.71242 Ang CB(35) at 37.7731 43.4132 59.956 in (null):S-9999 (5) and CD(43) at 39.1826 45.5626 59.0896 in (null):P-9999 (6) self-bump: 1.32317 Ang N(39) at 38.219 46.463 58.982 in (null):P-9999 (6) and CD(43) at 39.1826 45.5626 59.0896 in (null):P-9999 (6) other bump:2.65806 Ang C(17) at 41.361 44.262 58.297 in (null):L-9999 (2) and CD(43) at 39.1826 45.5626 59.0896 in (null):P-9999 (6) other bump:1.72754 Ang O(16) at 40.475 44.962 58.776 in (null):L-9999 (2) and CG(42) at 40.2853 46.4263 59.6728 in (null):P-9999 (6) self-bump: 2.17904 Ang N(39) at 38.219 46.463 58.982 in (null):P-9999 (6) and CG(42) at 40.2853 46.4263 59.6728 in (null):P-9999 (6) other bump:2.78102 Ang C(17) at 41.361 44.262 58.297 in (null):L-9999 (2) and CG(42) at 40.2853 46.4263 59.6728 in (null):P-9999 (6) Number of specific fragments= 1 total=2086 # 1qbqA.220.221 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 220 :LNVSPRRLL 1qbqA 266 :MIKLVPHNE Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.15039 Ang C(17) at 219.339 111.149 39.818 in (null):N-9999 (2) and CD(42) at 219.731 110.785 42.9225 in (null):R-9999 (6) other bump:2.28547 Ang O(16) at 219.214 111.719 40.902 in (null):N-9999 (2) and CD(42) at 219.731 110.785 42.9225 in (null):R-9999 (6) other bump:3.26453 Ang CA(19) at 221.65 110.596 40.288 in (null):V-9999 (3) and CD(42) at 219.731 110.785 42.9225 in (null):R-9999 (6) neighbor-bump: 2.75154 Ang CB(27) at 222.305 114.928 38.6356 in (null):S-9999 (4) and CD(35) at 219.726 115.801 39.0375 in (null):P-9999 (5) neighbor-bump: 2.12781 Ang C(30) at 221.094 115.295 40.587 in (null):S-9999 (4) and CD(35) at 219.726 115.801 39.0375 in (null):P-9999 (5) neighbor-bump: 2.57618 Ang C(30) at 221.094 115.295 40.587 in (null):S-9999 (4) and CG(34) at 219.664 117.194 39.5958 in (null):P-9999 (5) self-bump: 1.36934 Ang CA(32) at 218.732 115.814 41.074 in (null):P-9999 (5) and CB(33) at 218.579 117.098 40.6223 in (null):P-9999 (5) self-bump: 1.38031 Ang CA(26) at 222.068 114.371 39.876 in (null):S-9999 (4) and CB(27) at 222.305 114.928 38.6356 in (null):S-9999 (4) self-bump: 1.39442 Ang CA(11) at 218.175 111.072 38.827 in (null):N-9999 (2) and CB(12) at 217.468 109.881 38.9906 in (null):N-9999 (2) Number of specific fragments= 1 total=2087 # 1sig.220.220 read from T0147_twice.t2k.frag # found chain 1sig in template set T0147_twice 220 :LNVSPRRLL 1sig 330 :LHDVSEEVH Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92692 Ang CA(11) at 10.255 21.385 11.779 in (null):N-9999 (2) and CD(35) at 12.6699 21.1622 13.4177 in (null):P-9999 (5) other bump:2.00885 Ang O(16) at 11.193 22.498 13.682 in (null):N-9999 (2) and CD(35) at 12.6699 21.1622 13.4177 in (null):P-9999 (5) other bump:2.30693 Ang C(17) at 10.417 21.634 13.264 in (null):N-9999 (2) and CD(35) at 12.6699 21.1622 13.4177 in (null):P-9999 (5) neighbor-bump: 2.38748 Ang N(25) at 11.799 19.608 15.007 in (null):S-9999 (4) and CD(35) at 12.6699 21.1622 13.4177 in (null):P-9999 (5) other bump:2.76016 Ang CA(11) at 10.255 21.385 11.779 in (null):N-9999 (2) and CG(34) at 12.9576 21.8481 12.0951 in (null):P-9999 (5) other bump:2.46057 Ang O(16) at 11.193 22.498 13.682 in (null):N-9999 (2) and CG(34) at 12.9576 21.8481 12.0951 in (null):P-9999 (5) other bump:2.80478 Ang C(17) at 10.417 21.634 13.264 in (null):N-9999 (2) and CG(34) at 12.9576 21.8481 12.0951 in (null):P-9999 (5) Number of specific fragments= 1 total=2088 # 1qs0A.220.220 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 220 :LNVSPRRLL 1qs0A 222 :HTALTFAHV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13704 Ang CG1(21) at 7.17337 -7.17864 98.4517 in (null):V-9999 (3) and CD(53) at 8.92504 -7.06888 95.8516 in (null):R-9999 (7) other bump:1.40206 Ang O(8) at 4.616 -1.487 98.165 in (null):L-9999 (1) and CD(35) at 5.84897 -1.23743 97.5459 in (null):P-9999 (5) other bump:2.6051 Ang C(9) at 3.756 -1.831 98.979 in (null):L-9999 (1) and CD(35) at 5.84897 -1.23743 97.5459 in (null):P-9999 (5) other bump:2.99949 Ang C(17) at 6.364 -2.619 100.158 in (null):N-9999 (2) and CD(35) at 5.84897 -1.23743 97.5459 in (null):P-9999 (5) other bump:2.16519 Ang O(8) at 4.616 -1.487 98.165 in (null):L-9999 (1) and CG(34) at 5.80207 0.269078 97.7206 in (null):P-9999 (5) other bump:3.19065 Ang C(9) at 3.756 -1.831 98.979 in (null):L-9999 (1) and CG(34) at 5.80207 0.269078 97.7206 in (null):P-9999 (5) Number of specific fragments= 1 total=2089 # 2bnh.220.220 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 220 :LNVSPRRLL 2bnh 220 :SQASLRELD Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.45757 Ang N(25) at 28.421 48.853 27.514 in (null):S-9999 (4) and CD(35) at 26.2847 47.8736 28.2326 in (null):P-9999 (5) other bump:2.19704 Ang O(16) at 25.811 49.592 29.517 in (null):N-9999 (2) and CD(35) at 26.2847 47.8736 28.2326 in (null):P-9999 (5) other bump:2.64428 Ang C(17) at 26.833 49.574 30.182 in (null):N-9999 (2) and CD(35) at 26.2847 47.8736 28.2326 in (null):P-9999 (5) other bump:2.9113 Ang C(24) at 27.961 50.097 27.383 in (null):V-9999 (3) and CD(35) at 26.2847 47.8736 28.2326 in (null):P-9999 (5) other bump:2.71133 Ang CB(12) at 25.6003 47.9072 31.5476 in (null):N-9999 (2) and CG(34) at 25.1981 47.1487 28.9758 in (null):P-9999 (5) other bump:3.16384 Ang C(17) at 26.833 49.574 30.182 in (null):N-9999 (2) and CG(34) at 25.1981 47.1487 28.9758 in (null):P-9999 (5) Number of specific fragments= 1 total=2090 # 2dri.220.220 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 220 :LNVSPRRLL 2dri 221 :EKAVNDGKL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01546 Ang CG1(21) at 42.1039 46.8076 54.1049 in (null):V-9999 (3) and CB(70) at 40.197 45.664 52.068 in (null):L-9999 (9) other bump:1.52663 Ang O(8) at 39.757 41.878 57.636 in (null):L-9999 (1) and CD(35) at 38.7208 42.9991 57.6278 in (null):P-9999 (5) neighbor-bump: 2.61619 Ang N(25) at 39.63 44.449 55.649 in (null):S-9999 (4) and CD(35) at 38.7208 42.9991 57.6278 in (null):P-9999 (5) other bump:2.68594 Ang C(9) at 40.898 41.435 57.461 in (null):L-9999 (1) and CD(35) at 38.7208 42.9991 57.6278 in (null):P-9999 (5) other bump:3.0022 Ang C(17) at 41.361 44.262 58.297 in (null):N-9999 (2) and CD(35) at 38.7208 42.9991 57.6278 in (null):P-9999 (5) other bump:1.93831 Ang O(8) at 39.757 41.878 57.636 in (null):L-9999 (1) and CG(34) at 38.3517 42.2768 58.9101 in (null):P-9999 (5) other bump:3.04825 Ang C(9) at 40.898 41.435 57.461 in (null):L-9999 (1) and CG(34) at 38.3517 42.2768 58.9101 in (null):P-9999 (5) Number of specific fragments= 1 total=2091 # 1kcmA.220.220 read from T0147_twice.t2k.frag # found chain 1kcmA in template set T0147_twice 220 :LNVSPRRLL 1kcmA 222 :FTNFHRQLF Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.10716 Ang CG1(21) at 30.0367 17.0402 9.65189 in (null):V-9999 (3) and CZ(55) at 30.7849 19.8003 8.43676 in (null):R-9999 (7) other bump:2.84919 Ang C(9) at 27.478 14.174 15.184 in (null):L-9999 (1) and CD(35) at 29.1146 16.4218 15.806 in (null):P-9999 (5) other bump:1.8843 Ang O(8) at 28.348 14.703 15.899 in (null):L-9999 (1) and CD(35) at 29.1146 16.4218 15.806 in (null):P-9999 (5) self-bump: 1.38866 Ang N(31) at 30.231 17.247 15.774 in (null):P-9999 (5) and CD(35) at 29.1146 16.4218 15.806 in (null):P-9999 (5) other bump:3.18778 Ang C(9) at 27.478 14.174 15.184 in (null):L-9999 (1) and CG(34) at 29.107 15.9691 17.2542 in (null):P-9999 (5) other bump:2.00394 Ang O(8) at 28.348 14.703 15.899 in (null):L-9999 (1) and CG(34) at 29.107 15.9691 17.2542 in (null):P-9999 (5) Number of specific fragments= 1 total=2092 # 1qbqA.221.222 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 221 :NVSPRRLLN 1qbqA 267 :IKLVPHNES Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.15039 Ang C(9) at 219.339 111.149 39.818 in (null):N-9999 (1) and CD(34) at 219.731 110.785 42.9225 in (null):R-9999 (5) other bump:2.28547 Ang O(8) at 219.214 111.719 40.902 in (null):N-9999 (1) and CD(34) at 219.731 110.785 42.9225 in (null):R-9999 (5) other bump:3.26453 Ang CA(11) at 221.65 110.596 40.288 in (null):V-9999 (2) and CD(34) at 219.731 110.785 42.9225 in (null):R-9999 (5) neighbor-bump: 2.75154 Ang CB(19) at 222.305 114.928 38.6356 in (null):S-9999 (3) and CD(27) at 219.726 115.801 39.0375 in (null):P-9999 (4) neighbor-bump: 2.12781 Ang C(22) at 221.094 115.295 40.587 in (null):S-9999 (3) and CD(27) at 219.726 115.801 39.0375 in (null):P-9999 (4) neighbor-bump: 2.57618 Ang C(22) at 221.094 115.295 40.587 in (null):S-9999 (3) and CG(26) at 219.664 117.194 39.5958 in (null):P-9999 (4) self-bump: 1.36934 Ang CA(24) at 218.732 115.814 41.074 in (null):P-9999 (4) and CB(25) at 218.579 117.098 40.6223 in (null):P-9999 (4) self-bump: 1.38031 Ang CA(18) at 222.068 114.371 39.876 in (null):S-9999 (3) and CB(19) at 222.305 114.928 38.6356 in (null):S-9999 (3) Number of specific fragments= 1 total=2093 # 2bnh.221.221 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 221 :NVSPRRLLN 2bnh 221 :QASLRELDL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19704 Ang O(8) at 25.811 49.592 29.517 in (null):N-9999 (1) and CD(27) at 26.2847 47.8736 28.2326 in (null):P-9999 (4) neighbor-bump: 2.45757 Ang N(17) at 28.421 48.853 27.514 in (null):S-9999 (3) and CD(27) at 26.2847 47.8736 28.2326 in (null):P-9999 (4) other bump:2.9113 Ang C(16) at 27.961 50.097 27.383 in (null):V-9999 (2) and CD(27) at 26.2847 47.8736 28.2326 in (null):P-9999 (4) other bump:2.64428 Ang C(9) at 26.833 49.574 30.182 in (null):N-9999 (1) and CD(27) at 26.2847 47.8736 28.2326 in (null):P-9999 (4) other bump:2.64518 Ang CB(4) at 25.8798 47.677 31.4765 in (null):N-9999 (1) and CG(26) at 25.1981 47.1487 28.9758 in (null):P-9999 (4) other bump:3.16384 Ang C(9) at 26.833 49.574 30.182 in (null):N-9999 (1) and CG(26) at 25.1981 47.1487 28.9758 in (null):P-9999 (4) Number of specific fragments= 1 total=2094 # 1qs0A.221.221 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 221 :NVSPRRLLN 1qs0A 223 :TALTFAHVY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13704 Ang CG1(13) at 7.17337 -7.17864 98.4517 in (null):V-9999 (2) and CD(45) at 8.92504 -7.06888 95.8516 in (null):R-9999 (6) other bump:1.40206 Ang O(0) at 4.616 -1.487 98.165 in (null):G-9999 (0) and CD(27) at 5.84897 -1.23743 97.5459 in (null):P-9999 (4) other bump:2.6051 Ang C(1) at 3.756 -1.831 98.979 in (null):G-9999 (0) and CD(27) at 5.84897 -1.23743 97.5459 in (null):P-9999 (4) other bump:2.99949 Ang C(9) at 6.364 -2.619 100.158 in (null):N-9999 (1) and CD(27) at 5.84897 -1.23743 97.5459 in (null):P-9999 (4) other bump:2.16519 Ang O(0) at 4.616 -1.487 98.165 in (null):G-9999 (0) and CG(26) at 5.80207 0.269077 97.7206 in (null):P-9999 (4) other bump:3.19065 Ang C(1) at 3.756 -1.831 98.979 in (null):G-9999 (0) and CG(26) at 5.80207 0.269077 97.7206 in (null):P-9999 (4) Number of specific fragments= 1 total=2095 # 1sig.221.221 read from T0147_twice.t2k.frag # found chain 1sig in template set T0147_twice 221 :NVSPRRLLN 1sig 331 :HDVSEEVHR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92693 Ang CA(3) at 10.255 21.385 11.779 in (null):N-9999 (1) and CD(27) at 12.6699 21.1622 13.4177 in (null):P-9999 (4) other bump:2.00885 Ang O(8) at 11.193 22.498 13.682 in (null):N-9999 (1) and CD(27) at 12.6699 21.1622 13.4177 in (null):P-9999 (4) other bump:2.30693 Ang C(9) at 10.417 21.634 13.264 in (null):N-9999 (1) and CD(27) at 12.6699 21.1622 13.4177 in (null):P-9999 (4) neighbor-bump: 2.38748 Ang N(17) at 11.799 19.608 15.007 in (null):S-9999 (3) and CD(27) at 12.6699 21.1622 13.4177 in (null):P-9999 (4) other bump:2.76015 Ang CA(3) at 10.255 21.385 11.779 in (null):N-9999 (1) and CG(26) at 12.9576 21.8481 12.0951 in (null):P-9999 (4) other bump:2.46057 Ang O(8) at 11.193 22.498 13.682 in (null):N-9999 (1) and CG(26) at 12.9576 21.8481 12.0951 in (null):P-9999 (4) other bump:2.80477 Ang C(9) at 10.417 21.634 13.264 in (null):N-9999 (1) and CG(26) at 12.9576 21.8481 12.0951 in (null):P-9999 (4) Number of specific fragments= 1 total=2096 # 2dri.221.221 read from T0147_twice.t2k.frag # found chain 2dri in training set T0147_twice 221 :NVSPRRLLN 2dri 222 :KAVNDGKLA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01546 Ang CG1(13) at 42.1039 46.8076 54.1049 in (null):V-9999 (2) and CB(62) at 40.197 45.664 52.068 in (null):L-9999 (8) other bump:2.46027 Ang OD1(7) at 43.532 45.5759 60.2478 in (null):N-9999 (1) and NE(35) at 42.6828 47.8506 59.8506 in (null):R-9999 (5) other bump:1.52663 Ang O(0) at 39.757 41.878 57.636 in (null):G-9999 (0) and CD(27) at 38.7208 42.9991 57.6278 in (null):P-9999 (4) neighbor-bump: 2.61619 Ang N(17) at 39.63 44.449 55.649 in (null):S-9999 (3) and CD(27) at 38.7208 42.9991 57.6278 in (null):P-9999 (4) other bump:2.68594 Ang C(1) at 40.898 41.435 57.461 in (null):G-9999 (0) and CD(27) at 38.7208 42.9991 57.6278 in (null):P-9999 (4) other bump:3.00221 Ang C(9) at 41.361 44.262 58.297 in (null):N-9999 (1) and CD(27) at 38.7208 42.9991 57.6278 in (null):P-9999 (4) other bump:1.93831 Ang O(0) at 39.757 41.878 57.636 in (null):G-9999 (0) and CG(26) at 38.3517 42.2768 58.9101 in (null):P-9999 (4) other bump:3.04825 Ang C(1) at 40.898 41.435 57.461 in (null):G-9999 (0) and CG(26) at 38.3517 42.2768 58.9101 in (null):P-9999 (4) Number of specific fragments= 1 total=2097 # 1fnf.221.221 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 221 :NVSPRRLLN 1fnf 1363 :PEHFSGRPR Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.34917 Ang CB(43) at 26.819 23.2584 -12.8909 in (null):R-9999 (6) and N(52) at 26.283 21.529 -11.394 in (null):L-9999 (7) neighbor-bump: 1.8933 Ang NH2(38) at 27.3611 28.6482 -16.2756 in (null):R-9999 (5) and NH2(49) at 26.0057 28.3138 -14.9967 in (null):R-9999 (6) neighbor-bump: 2.86469 Ang CZ(36) at 28.1718 27.7231 -16.7759 in (null):R-9999 (5) and NH2(49) at 26.0057 28.3138 -14.9967 in (null):R-9999 (6) neighbor-bump: 2.84537 Ang NH2(38) at 27.3611 28.6482 -16.2756 in (null):R-9999 (5) and NH1(48) at 27.7364 27.6395 -13.6416 in (null):R-9999 (6) neighbor-bump: 2.67591 Ang NE(35) at 28.6454 26.749 -15.9956 in (null):R-9999 (5) and NH1(48) at 27.7364 27.6395 -13.6416 in (null):R-9999 (6) neighbor-bump: 2.65018 Ang NH2(38) at 27.3611 28.6482 -16.2756 in (null):R-9999 (5) and CZ(47) at 26.4781 27.51 -14.0511 in (null):R-9999 (6) neighbor-bump: 2.42008 Ang CA(18) at 29.313 16.423 -20.326 in (null):S-9999 (3) and CD(27) at 27.9014 16.9606 -18.4352 in (null):P-9999 (4) neighbor-bump: 1.813 Ang C(22) at 28.582 17.688 -19.95 in (null):S-9999 (3) and CD(27) at 27.9014 16.9606 -18.4352 in (null):P-9999 (4) other bump:2.33342 Ang OD1(7) at 25.6826 17.3414 -20.9735 in (null):N-9999 (1) and O(21) at 27.824 18.241 -20.75 in (null):S-9999 (3) Number of specific fragments= 1 total=2098 # 1qbqA.222.223 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 222 :VSPRRLLNF 1qbqA 268 :KLVPHNESA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.15042 Ang C(1) at 219.339 111.149 39.818 in (null):G-9999 (0) and CD(26) at 219.731 110.785 42.9226 in (null):R-9999 (4) other bump:2.28549 Ang O(0) at 219.214 111.719 40.902 in (null):G-9999 (0) and CD(26) at 219.731 110.785 42.9226 in (null):R-9999 (4) other bump:3.26455 Ang CA(3) at 221.65 110.596 40.288 in (null):V-9999 (1) and CD(26) at 219.731 110.785 42.9226 in (null):R-9999 (4) neighbor-bump: 2.75154 Ang CB(11) at 222.305 114.928 38.6356 in (null):S-9999 (2) and CD(19) at 219.726 115.801 39.0375 in (null):P-9999 (3) neighbor-bump: 2.12781 Ang C(14) at 221.094 115.295 40.587 in (null):S-9999 (2) and CD(19) at 219.726 115.801 39.0375 in (null):P-9999 (3) neighbor-bump: 2.57618 Ang C(14) at 221.094 115.295 40.587 in (null):S-9999 (2) and CG(18) at 219.664 117.194 39.5958 in (null):P-9999 (3) self-bump: 1.36932 Ang CA(16) at 218.732 115.814 41.074 in (null):P-9999 (3) and CB(17) at 218.579 117.098 40.6223 in (null):P-9999 (3) self-bump: 1.38031 Ang CA(10) at 222.068 114.371 39.876 in (null):S-9999 (2) and CB(11) at 222.305 114.928 38.6356 in (null):S-9999 (2) Number of specific fragments= 1 total=2099 # 1sig.222.222 read from T0147_twice.t2k.frag # found chain 1sig in template set T0147_twice 222 :VSPRRLLNF 1sig 332 :DVSEEVHRA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30693 Ang C(1) at 10.417 21.634 13.264 in (null):G-9999 (0) and CD(19) at 12.6699 21.1622 13.4177 in (null):P-9999 (3) neighbor-bump: 2.38747 Ang N(9) at 11.799 19.608 15.007 in (null):S-9999 (2) and CD(19) at 12.6699 21.1622 13.4177 in (null):P-9999 (3) other bump:2.00885 Ang O(0) at 11.193 22.498 13.682 in (null):G-9999 (0) and CD(19) at 12.6699 21.1622 13.4177 in (null):P-9999 (3) other bump:2.80477 Ang C(1) at 10.417 21.634 13.264 in (null):G-9999 (0) and CG(18) at 12.9576 21.8481 12.0951 in (null):P-9999 (3) other bump:2.46057 Ang O(0) at 11.193 22.498 13.682 in (null):G-9999 (0) and CG(18) at 12.9576 21.8481 12.0951 in (null):P-9999 (3) Number of specific fragments= 1 total=2100 # 2bnh.222.222 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 222 :VSPRRLLNF 2bnh 222 :ASLRELDLG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.45757 Ang N(9) at 28.421 48.853 27.514 in (null):S-9999 (2) and CD(19) at 26.2847 47.8736 28.2326 in (null):P-9999 (3) other bump:2.9113 Ang C(8) at 27.961 50.097 27.383 in (null):V-9999 (1) and CD(19) at 26.2847 47.8736 28.2326 in (null):P-9999 (3) other bump:2.19704 Ang O(0) at 25.811 49.592 29.517 in (null):G-9999 (0) and CD(19) at 26.2847 47.8736 28.2326 in (null):P-9999 (3) other bump:2.64428 Ang C(1) at 26.833 49.574 30.182 in (null):G-9999 (0) and CD(19) at 26.2847 47.8736 28.2326 in (null):P-9999 (3) other bump:3.16384 Ang C(1) at 26.833 49.574 30.182 in (null):G-9999 (0) and CG(18) at 25.1981 47.1487 28.9758 in (null):P-9999 (3) Number of specific fragments= 1 total=2101 # 1oyc.222.223 read from T0147_twice.t2k.frag # adding 1oyc to template set 1oyc:# found chain 1oyc in template set T0147_twice 222 :VSPRRLLNF 1oyc 223 :FTLEVVDAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78809 Ang CG(36) at 47.9684 73.1429 31.0844 in (null):R-9999 (5) and CE1(74) at 45.9364 73.3211 32.9851 in (null):F-9999 (9) Number of specific fragments= 1 total=2102 # 1oya.222.223 read from T0147_twice.t2k.frag # adding 1oya to template set 1oya:# found chain 1oya in template set T0147_twice 222 :VSPRRLLNF 1oya 223 :FTLEVVDAL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97369 Ang CG(36) at 47.8762 73.0854 31.1146 in (null):R-9999 (5) and CZ(76) at 45.8815 74.4517 32.8458 in (null):F-9999 (9) other bump:2.7115 Ang CG(36) at 47.8762 73.0854 31.1146 in (null):R-9999 (5) and CE1(74) at 45.7824 73.0559 32.8372 in (null):F-9999 (9) Number of specific fragments= 1 total=2103 # 1qs0A.222.222 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 222 :VSPRRLLNF 1qs0A 224 :ALTFAHVYR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13704 Ang CG1(5) at 7.17337 -7.17864 98.4517 in (null):V-9999 (1) and CD(37) at 8.92504 -7.06888 95.8516 in (null):R-9999 (5) other bump:2.99949 Ang C(1) at 6.364 -2.619 100.158 in (null):G-9999 (0) and CD(19) at 5.84897 -1.23743 97.5459 in (null):P-9999 (3) Number of specific fragments= 1 total=2104 # 1qbqA.223.224 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 223 :SPRRLLNFL 1qbqA 269 :LVPHNESAW Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.85982 Ang CB(4) at 222.433 114.941 38.7002 in (null):S-9999 (1) and CD(12) at 219.726 115.801 39.0375 in (null):P-9999 (2) neighbor-bump: 2.15563 Ang OG(5) at 221.337 114.981 37.8624 in (null):S-9999 (1) and CD(12) at 219.726 115.801 39.0375 in (null):P-9999 (2) neighbor-bump: 2.12783 Ang C(7) at 221.094 115.295 40.587 in (null):S-9999 (1) and CD(12) at 219.726 115.801 39.0375 in (null):P-9999 (2) neighbor-bump: 2.57618 Ang C(7) at 221.094 115.295 40.587 in (null):S-9999 (1) and CG(11) at 219.664 117.194 39.5958 in (null):P-9999 (2) self-bump: 1.36934 Ang CA(9) at 218.732 115.814 41.074 in (null):P-9999 (2) and CB(10) at 218.579 117.098 40.6223 in (null):P-9999 (2) self-bump: 1.3569 Ang CA(3) at 222.068 114.371 39.876 in (null):S-9999 (1) and CB(4) at 222.433 114.941 38.7002 in (null):S-9999 (1) Number of specific fragments= 1 total=2105 # 2bnh.223.223 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 223 :SPRRLLNFL 2bnh 223 :SLRELDLGS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82261 Ang CD1(49) at 12.9003 40.0259 25.1225 in (null):L-9999 (6) and CE1(67) at 10.6374 41.5364 24.371 in (null):F-9999 (8) other bump:2.43389 Ang CD1(49) at 12.9003 40.0259 25.1225 in (null):L-9999 (6) and CD1(65) at 10.5894 40.6974 25.4862 in (null):F-9999 (8) other bump:2.9113 Ang C(1) at 27.961 50.097 27.383 in (null):G-9999 (0) and CD(12) at 26.2847 47.8736 28.2326 in (null):P-9999 (2) neighbor-bump: 2.45757 Ang N(2) at 28.421 48.853 27.514 in (null):S-9999 (1) and CD(12) at 26.2847 47.8736 28.2326 in (null):P-9999 (2) Number of specific fragments= 1 total=2106 # 1sig.223.223 read from T0147_twice.t2k.frag # found chain 1sig in template set T0147_twice 223 :SPRRLLNFL 1sig 333 :VSEEVHRAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.38748 Ang N(2) at 11.799 19.608 15.007 in (null):S-9999 (1) and CD(12) at 12.6699 21.1622 13.4177 in (null):P-9999 (2) Number of specific fragments= 1 total=2107 # 1oyc.223.224 read from T0147_twice.t2k.frag # found chain 1oyc in template set T0147_twice 223 :SPRRLLNFL 1oyc 224 :TLEVVDALV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78808 Ang CG(29) at 47.9684 73.1429 31.0844 in (null):R-9999 (4) and CE1(67) at 45.9364 73.321 32.9851 in (null):F-9999 (8) Number of specific fragments= 1 total=2108 # 1kcmA.223.223 read from T0147_twice.t2k.frag # found chain 1kcmA in template set T0147_twice 223 :SPRRLLNFL 1kcmA 225 :FHRQLFCWL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38867 Ang N(8) at 30.231 17.247 15.774 in (null):P-9999 (2) and CD(12) at 29.1146 16.4218 15.806 in (null):P-9999 (2) Number of specific fragments= 1 total=2109 # 1oya.223.224 read from T0147_twice.t2k.frag # found chain 1oya in template set T0147_twice 223 :SPRRLLNFL 1oya 224 :TLEVVDALV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97369 Ang CG(29) at 47.8762 73.0854 31.1146 in (null):R-9999 (4) and CZ(69) at 45.8815 74.4517 32.8458 in (null):F-9999 (8) other bump:2.7115 Ang CG(29) at 47.8762 73.0854 31.1146 in (null):R-9999 (4) and CE1(67) at 45.7824 73.0559 32.8372 in (null):F-9999 (8) Number of specific fragments= 1 total=2110 # 1qbqA.224.225 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 224 :PRRLLNFLE 1qbqA 270 :VPHNESAWN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2111 # 2bnh.224.224 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 224 :PRRLLNFLE 2bnh 224 :LRELDLGSN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82261 Ang CD1(43) at 12.9003 40.0259 25.1225 in (null):L-9999 (5) and CE1(61) at 10.6374 41.5364 24.371 in (null):F-9999 (7) other bump:2.43389 Ang CD1(43) at 12.9003 40.0259 25.1225 in (null):L-9999 (5) and CD1(59) at 10.5894 40.6974 25.4862 in (null):F-9999 (7) Number of specific fragments= 1 total=2112 # 1sig.224.224 read from T0147_twice.t2k.frag # found chain 1sig in template set T0147_twice 224 :PRRLLNFLE 1sig 334 :SEEVHRALQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2113 # 1oyc.224.225 read from T0147_twice.t2k.frag # found chain 1oyc in template set T0147_twice 224 :PRRLLNFLE 1oyc 225 :LEVVDALVE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78807 Ang CG(23) at 47.9684 73.1428 31.0844 in (null):R-9999 (3) and CE1(61) at 45.9364 73.321 32.9851 in (null):F-9999 (7) Number of specific fragments= 1 total=2114 # 1oya.224.225 read from T0147_twice.t2k.frag # found chain 1oya in template set T0147_twice 224 :PRRLLNFLE 1oya 225 :LEVVDALVE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97368 Ang CG(23) at 47.8762 73.0854 31.1146 in (null):R-9999 (3) and CZ(63) at 45.8815 74.4517 32.8458 in (null):F-9999 (7) other bump:2.71149 Ang CG(23) at 47.8762 73.0854 31.1146 in (null):R-9999 (3) and CE1(61) at 45.7824 73.0559 32.8372 in (null):F-9999 (7) Number of specific fragments= 1 total=2115 # 1h65A.224.225 read from T0147_twice.t2k.frag # adding 1h65A to template set 1h65A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # found chain 1h65A in template set T0147_twice 224 :PRRLLNFLE 1h65A 226 :PNGIAWIPH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2116 # 1qbqA.225.226 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 225 :RRLLNFLES 1qbqA 271 :PHNESAWNY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2117 # 1onrA.225.199 read from T0147_twice.t2k.frag # adding 1onrA to template set 1onrA:# found chain 1onrA in template set T0147_twice 225 :RRLLNFLES 1onrA 201 :PGVVSVSEI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2118 # 2bnh.225.225 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 225 :RRLLNFLES 2bnh 225 :RELDLGSNG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82261 Ang CD1(36) at 12.9003 40.0259 25.1225 in (null):L-9999 (4) and CE1(54) at 10.6374 41.5364 24.371 in (null):F-9999 (6) other bump:2.43389 Ang CD1(36) at 12.9003 40.0259 25.1225 in (null):L-9999 (4) and CD1(52) at 10.5894 40.6974 25.4862 in (null):F-9999 (6) Number of specific fragments= 1 total=2119 # 1e6yB.225.225 read from T0147_twice.t2k.frag # adding 1e6yB to template set 1e6yB:Skipped atom 5128, because occupancy 0.33 <= existing 0.660001 Skipped atom 5129, because occupancy 0.33 <= existing 0.660001 Skipped atom 5130, because occupancy 0.33 <= existing 0.660001 Skipped atom 5131, because occupancy 0.33 <= existing 0.660001 Skipped atom 6005, because occupancy 0.33 <= existing 0.660001 Skipped atom 6514, because occupancy 0.33 <= existing 0.660001 Skipped atom 7406, because occupancy 0.33 <= existing 0.660001 Skipped atom 7407, because occupancy 0.33 <= existing 0.660001 # found chain 1e6yB in template set T0147_twice 225 :RRLLNFLES 1e6yB 2227 :VGMFERHQL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.38564 Ang CB(15) at 36.5333 65.1774 31.8233 in (null):R-9999 (2) and N(24) at 34.907 66.868 32.257 in (null):L-9999 (3) self-bump: 2.12244 Ang CB(15) at 36.5333 65.1774 31.8233 in (null):R-9999 (2) and C(23) at 36.03 67.231 31.639 in (null):R-9999 (2) self-bump: 1.27686 Ang CA(14) at 37.194 66.266 31.73 in (null):R-9999 (2) and CB(15) at 36.5333 65.1774 31.8233 in (null):R-9999 (2) Number of specific fragments= 1 total=2120 # 1afrA.225.228 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 225 :RRLLNFLES 1afrA 247 :DPDGTVLAF Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6237 Ang O(22) at 71.281 49.996 -0.746 in (null):R-9999 (2) and CD1(52) at 71.0015 51.6627 1.26097 in (null):F-9999 (6) other bump:2.94711 Ang CZ(8) at 69.4554 47.8214 -7.91882 in (null):R-9999 (1) and CD2(37) at 69.4874 45.272 -6.44078 in (null):L-9999 (4) other bump:2.11302 Ang NH1(9) at 69.3237 46.5196 -8.13829 in (null):R-9999 (1) and CD2(37) at 69.4874 45.272 -6.44078 in (null):L-9999 (4) other bump:2.75649 Ang CZ(8) at 69.4554 47.8214 -7.91882 in (null):R-9999 (1) and CB(34) at 69.4684 47.4046 -5.19405 in (null):L-9999 (4) other bump:2.88795 Ang CD(6) at 71.7304 47.5189 -6.98593 in (null):R-9999 (1) and CB(34) at 69.4684 47.4046 -5.19405 in (null):L-9999 (4) other bump:2.61456 Ang NE(7) at 70.5706 48.3122 -7.38436 in (null):R-9999 (1) and CB(34) at 69.4684 47.4046 -5.19405 in (null):L-9999 (4) Number of specific fragments= 1 total=2121 # 1h65A.225.226 read from T0147_twice.t2k.frag # found chain 1h65A in template set T0147_twice 225 :RRLLNFLES 1h65A 227 :NGIAWIPHL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2122 # 1qbqA.226.227 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 226 :RLLNFLESR 1qbqA 272 :HNESAWNYL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2123 # 1onrA.226.200 read from T0147_twice.t2k.frag # found chain 1onrA in template set T0147_twice 226 :RLLNFLESR 1onrA 202 :GVVSVSEIY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2124 # 2bnh.226.226 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 226 :RLLNFLESR 2bnh 226 :ELDLGSNGL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82261 Ang CD1(25) at 12.9003 40.0259 25.1225 in (null):L-9999 (3) and CE1(43) at 10.6374 41.5364 24.371 in (null):F-9999 (5) other bump:2.43389 Ang CD1(25) at 12.9003 40.0259 25.1225 in (null):L-9999 (3) and CD1(41) at 10.5894 40.6974 25.4862 in (null):F-9999 (5) Number of specific fragments= 1 total=2125 # 1e6yB.226.226 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 226 :RLLNFLESR 1e6yB 2228 :GMFERHQLL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.99078 Ang CE2(44) at 29.1576 73.2777 28.8028 in (null):F-9999 (5) and CD(75) at 29.4612 75.9617 30.0868 in (null):R-9999 (9) other bump:2.98237 Ang CZ(45) at 29.2957 74.1389 27.732 in (null):F-9999 (5) and CD(75) at 29.4612 75.9617 30.0868 in (null):R-9999 (9) self-bump: 2.20085 Ang CB(4) at 36.6483 65.1236 31.4964 in (null):R-9999 (1) and C(12) at 36.03 67.231 31.639 in (null):R-9999 (1) self-bump: 1.28741 Ang CA(3) at 37.194 66.266 31.73 in (null):R-9999 (1) and CB(4) at 36.6483 65.1236 31.4964 in (null):R-9999 (1) Number of specific fragments= 1 total=2126 # 1afrA.226.229 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 226 :RLLNFLESR 1afrA 248 :PDGTVLAFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6237 Ang O(11) at 71.281 49.996 -0.746 in (null):R-9999 (1) and CD1(41) at 71.0015 51.6627 1.26097 in (null):F-9999 (5) Number of specific fragments= 1 total=2127 # 1oyc.226.227 read from T0147_twice.t2k.frag # found chain 1oyc in template set T0147_twice 226 :RLLNFLESR 1oyc 227 :VVDALVEAI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78478 Ang CG(5) at 47.923 73.1702 31.0394 in (null):R-9999 (1) and CE1(43) at 45.9364 73.321 32.9851 in (null):F-9999 (5) Number of specific fragments= 1 total=2128 # 1qbqA.227.228 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 227 :LLNFLESRG 1qbqA 273 :NESAWNYLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2129 # 1onrA.227.201 read from T0147_twice.t2k.frag # found chain 1onrA in template set T0147_twice 227 :LLNFLESRG 1onrA 203 :VVSVSEIYQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2130 # 2bnh.227.227 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 227 :LLNFLESRG 2bnh 227 :LDLGSNGLG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82261 Ang CD1(14) at 12.9003 40.0259 25.1225 in (null):L-9999 (2) and CE1(32) at 10.6374 41.5364 24.371 in (null):F-9999 (4) other bump:2.43389 Ang CD1(14) at 12.9003 40.0259 25.1225 in (null):L-9999 (2) and CD1(30) at 10.5894 40.6974 25.4862 in (null):F-9999 (4) Number of specific fragments= 1 total=2131 # 1e6yB.227.227 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 227 :LLNFLESRG 1e6yB 2229 :MFERHQLLG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.99078 Ang CE2(33) at 29.1576 73.2777 28.8028 in (null):F-9999 (4) and CD(64) at 29.4612 75.9617 30.0867 in (null):R-9999 (8) other bump:2.98237 Ang CZ(34) at 29.2957 74.1389 27.732 in (null):F-9999 (4) and CD(64) at 29.4612 75.9617 30.0867 in (null):R-9999 (8) Number of specific fragments= 1 total=2132 # 1afrA.227.230 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 227 :LLNFLESRG 1afrA 249 :DGTVLAFAD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6237 Ang O(0) at 71.281 49.996 -0.746 in (null):G-9999 (0) and CD1(30) at 71.0015 51.6627 1.26097 in (null):F-9999 (4) Number of specific fragments= 1 total=2133 # 1h65A.227.228 read from T0147_twice.t2k.frag # found chain 1h65A in template set T0147_twice 227 :LLNFLESRG 1h65A 229 :IAWIPHLVQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2134 # 1qbqA.228.229 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 228 :LNFLESRGM 1qbqA 274 :ESAWNYLKG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2135 # 2bnh.228.228 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 228 :LNFLESRGM 2bnh 228 :DLGSNGLGD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82261 Ang CD1(6) at 12.9003 40.0259 25.1225 in (null):L-9999 (1) and CE1(24) at 10.6374 41.5364 24.371 in (null):F-9999 (3) other bump:2.43389 Ang CD1(6) at 12.9003 40.0259 25.1225 in (null):L-9999 (1) and CD1(22) at 10.5894 40.6974 25.4862 in (null):F-9999 (3) Number of specific fragments= 1 total=2136 # 1onrA.228.202 read from T0147_twice.t2k.frag # found chain 1onrA in template set T0147_twice 228 :LNFLESRGM 1onrA 204 :VSVSEIYQY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2137 # 1e6yB.228.228 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 228 :LNFLESRGM 1e6yB 2230 :FERHQLLGL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.99078 Ang CE2(25) at 29.1576 73.2777 28.8028 in (null):F-9999 (3) and CD(56) at 29.4612 75.9617 30.0867 in (null):R-9999 (7) other bump:2.98237 Ang CZ(26) at 29.2957 74.1389 27.732 in (null):F-9999 (3) and CD(56) at 29.4612 75.9617 30.0867 in (null):R-9999 (7) Number of specific fragments= 1 total=2138 # 1afrA.228.231 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 228 :LNFLESRGM 1afrA 250 :GTVLAFADM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2139 # 1fnf.228.228 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 228 :LNFLESRGM 1fnf 1370 :PREDRVPHS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59713 Ang O(8) at 21.305 19.251 -11.066 in (null):L-9999 (1) and CE2(25) at 21.1071 17.7469 -8.95799 in (null):F-9999 (3) Number of specific fragments= 1 total=2140 # 1qbqA.229.230 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 229 :NFLESRGMA 1qbqA 275 :SAWNYLKGI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31203 Ang O(36) at 207.784 108.17 33.964 in (null):E-9999 (4) and CG(62) at 206.132 107.44 32.5205 in (null):M-9999 (8) Number of specific fragments= 1 total=2141 # 2bnh.229.229 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 229 :NFLESRGMA 2bnh 229 :LGSNGLGDA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2142 # 1e6yB.229.229 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 229 :NFLESRGMA 1e6yB 2231 :ERHQLLGLA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.99078 Ang CE2(17) at 29.1576 73.2777 28.8028 in (null):F-9999 (2) and CD(48) at 29.4612 75.9617 30.0867 in (null):R-9999 (6) other bump:2.98236 Ang CZ(18) at 29.2957 74.1389 27.732 in (null):F-9999 (2) and CD(48) at 29.4612 75.9617 30.0867 in (null):R-9999 (6) Number of specific fragments= 1 total=2143 # 1onrA.229.203 read from T0147_twice.t2k.frag # found chain 1onrA in template set T0147_twice 229 :NFLESRGMA 1onrA 205 :SVSEIYQYY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2144 # 1afrA.229.232 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 229 :NFLESRGMA 1afrA 251 :TVLAFADMM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2145 # 1afrA.229.229 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 229 :NFLESRGMA 1afrA 248 :PDGTVLAFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.98674 Ang CE1(16) at 66.694 52.7495 -5.36242 in (null):F-9999 (2) and NH2(52) at 65.8095 51.2963 -6.38859 in (null):R-9999 (6) other bump:2.96089 Ang CE1(16) at 66.694 52.7495 -5.36242 in (null):F-9999 (2) and CZ(50) at 65.3535 50.1605 -5.87902 in (null):R-9999 (6) Number of specific fragments= 1 total=2146 # 1qbqA.230.231 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 230 :FLESRGMAP 1qbqA 276 :AWNYLKGIL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.66904 Ang N(59) at 209.262 104.652 30.594 in (null):A-9999 (8) and CD(68) at 211.046 102.983 31.6693 in (null):P-9999 (9) other bump:2.04405 Ang O(45) at 211.539 103.954 33.399 in (null):R-9999 (5) and CD(68) at 211.046 102.983 31.6693 in (null):P-9999 (9) other bump:3.07381 Ang C(46) at 211.382 105.059 33.911 in (null):R-9999 (5) and CD(68) at 211.046 102.983 31.6693 in (null):P-9999 (9) other bump:2.30783 Ang O(45) at 211.539 103.954 33.399 in (null):R-9999 (5) and CG(67) at 212.153 102.086 32.1906 in (null):P-9999 (9) other bump:2.31203 Ang O(28) at 207.784 108.17 33.964 in (null):E-9999 (3) and CG(54) at 206.132 107.44 32.5205 in (null):M-9999 (7) Number of specific fragments= 1 total=2147 # 1afrA.230.230 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 230 :FLESRGMAP 1afrA 249 :DGTVLAFAD Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.04888 Ang CA(48) at 65.06 45.272 -0.203 in (null):G-9999 (6) and CD(68) at 62.6762 46.8603 0.841206 in (null):P-9999 (9) other bump:2.5756 Ang O(49) at 63.791 44.725 1.753 in (null):G-9999 (6) and CD(68) at 62.6762 46.8603 0.841206 in (null):P-9999 (9) other bump:2.74425 Ang C(50) at 64.828 45.221 1.303 in (null):G-9999 (6) and CD(68) at 62.6762 46.8603 0.841206 in (null):P-9999 (9) other bump:1.309 Ang O(45) at 63.504 47.586 0.133 in (null):R-9999 (5) and CD(68) at 62.6762 46.8603 0.841206 in (null):P-9999 (9) other bump:2.43929 Ang C(46) at 64.604 47.67 -0.415 in (null):R-9999 (5) and CD(68) at 62.6762 46.8603 0.841206 in (null):P-9999 (9) other bump:2.00811 Ang O(45) at 63.504 47.586 0.133 in (null):R-9999 (5) and CG(67) at 61.9763 46.4092 -0.427258 in (null):P-9999 (9) other bump:2.91452 Ang C(46) at 64.604 47.67 -0.415 in (null):R-9999 (5) and CG(67) at 61.9763 46.4092 -0.427258 in (null):P-9999 (9) other bump:2.72106 Ang CZ(10) at 66.2558 53.5829 -4.98269 in (null):F-9999 (1) and NH2(44) at 65.8095 51.2963 -6.38859 in (null):R-9999 (5) other bump:2.60566 Ang CD2(7) at 68.0628 52.0798 -5.34053 in (null):F-9999 (1) and NH2(44) at 65.8095 51.2963 -6.38859 in (null):R-9999 (5) other bump:1.71417 Ang CE2(9) at 66.7516 52.4862 -5.59168 in (null):F-9999 (1) and NH2(44) at 65.8095 51.2963 -6.38859 in (null):R-9999 (5) other bump:2.72875 Ang CE2(9) at 66.7516 52.4862 -5.59168 in (null):F-9999 (1) and CZ(42) at 65.3535 50.1605 -5.87902 in (null):R-9999 (5) Number of specific fragments= 1 total=2148 # 2bnh.230.230 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 230 :FLESRGMAP 2bnh 230 :GSNGLGDAG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.64483 Ang O(45) at 6.895 45.767 38.26 in (null):R-9999 (5) and CD(68) at 7.24556 47.2397 38.9032 in (null):P-9999 (9) other bump:2.78244 Ang C(46) at 6.673 45.058 37.274 in (null):R-9999 (5) and CD(68) at 7.24556 47.2397 38.9032 in (null):P-9999 (9) other bump:3.10009 Ang C(50) at 5.184 47.658 36.626 in (null):G-9999 (6) and CD(68) at 7.24556 47.2397 38.9032 in (null):P-9999 (9) other bump:2.82665 Ang CA(37) at 7.627 43.941 36.912 in (null):R-9999 (5) and CG(67) at 8.16235 46.0442 38.7231 in (null):P-9999 (9) other bump:1.37748 Ang O(45) at 6.895 45.767 38.26 in (null):R-9999 (5) and CG(67) at 8.16235 46.0442 38.7231 in (null):P-9999 (9) other bump:2.30012 Ang C(46) at 6.673 45.058 37.274 in (null):R-9999 (5) and CG(67) at 8.16235 46.0442 38.7231 in (null):P-9999 (9) other bump:3.07727 Ang CB(38) at 8.7045 44.3957 35.791 in (null):R-9999 (5) and CB(66) at 9.28981 46.5694 37.8892 in (null):P-9999 (9) other bump:3.26012 Ang CA(37) at 7.627 43.941 36.912 in (null):R-9999 (5) and CB(66) at 9.28981 46.5694 37.8892 in (null):P-9999 (9) other bump:2.55275 Ang O(45) at 6.895 45.767 38.26 in (null):R-9999 (5) and CB(66) at 9.28981 46.5694 37.8892 in (null):P-9999 (9) other bump:3.08391 Ang C(46) at 6.673 45.058 37.274 in (null):R-9999 (5) and CB(66) at 9.28981 46.5694 37.8892 in (null):P-9999 (9) Number of specific fragments= 1 total=2149 # 1e6yB.230.230 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 230 :FLESRGMAP 1e6yB 2232 :RHQLLGLAY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.64145 Ang O(45) at 31.804 81.117 31.015 in (null):R-9999 (5) and CD(68) at 31.7225 82.4399 30.0467 in (null):P-9999 (9) other bump:2.81695 Ang C(46) at 32.14 79.982 31.358 in (null):R-9999 (5) and CD(68) at 31.7225 82.4399 30.0467 in (null):P-9999 (9) other bump:2.38938 Ang O(45) at 31.804 81.117 31.015 in (null):R-9999 (5) and CG(67) at 30.2124 82.5798 29.9971 in (null):P-9999 (9) other bump:3.25573 Ang CZ(10) at 29.0166 74.0543 28.4213 in (null):F-9999 (1) and NE(41) at 28.1777 76.6193 30.2425 in (null):R-9999 (5) other bump:2.71083 Ang CE2(9) at 29.133 73.3158 29.5968 in (null):F-9999 (1) and CD(40) at 29.4612 75.9617 30.0867 in (null):R-9999 (5) other bump:2.57094 Ang CZ(10) at 29.0166 74.0543 28.4213 in (null):F-9999 (1) and CD(40) at 29.4612 75.9617 30.0867 in (null):R-9999 (5) Number of specific fragments= 1 total=2150 # 1afrA.230.233 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 230 :FLESRGMAP 1afrA 252 :VLAFADMMR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2151 # 1fnf.230.230 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 230 :FLESRGMAP 1fnf 1372 :EDRVPHSRN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3928 Ang N(64) at 3.598 11.065 -11.708 in (null):P-9999 (9) and CD(68) at 2.24712 11.0151 -11.3726 in (null):P-9999 (9) neighbor-bump: 2.36081 Ang CA(60) at 3.096 12.77 -10.041 in (null):A-9999 (8) and CD(68) at 2.24712 11.0151 -11.3726 in (null):P-9999 (9) neighbor-bump: 1.89849 Ang C(63) at 3.848 11.508 -10.479 in (null):A-9999 (8) and CD(68) at 2.24712 11.0151 -11.3726 in (null):P-9999 (9) self-bump: 2.19886 Ang N(64) at 3.598 11.065 -11.708 in (null):P-9999 (9) and CG(67) at 1.80172 9.98268 -12.369 in (null):P-9999 (9) Number of specific fragments= 1 total=2152 # 1qbqA.231.232 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 231 :LESRGMAPI 1qbqA 277 :WNYLKGILQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.66905 Ang N(48) at 209.262 104.652 30.594 in (null):A-9999 (7) and CD(57) at 211.046 102.983 31.6693 in (null):P-9999 (8) other bump:2.04405 Ang O(34) at 211.539 103.954 33.399 in (null):R-9999 (4) and CD(57) at 211.046 102.983 31.6693 in (null):P-9999 (8) other bump:3.07382 Ang C(35) at 211.382 105.059 33.911 in (null):R-9999 (4) and CD(57) at 211.046 102.983 31.6693 in (null):P-9999 (8) other bump:2.30783 Ang O(34) at 211.539 103.954 33.399 in (null):R-9999 (4) and CG(56) at 212.153 102.086 32.1906 in (null):P-9999 (8) other bump:2.31203 Ang O(17) at 207.784 108.17 33.964 in (null):E-9999 (2) and CG(43) at 206.132 107.44 32.5205 in (null):M-9999 (6) Number of specific fragments= 1 total=2153 # 1afrA.231.231 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 231 :LESRGMAPI 1afrA 250 :GTVLAFADM Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.309 Ang O(34) at 63.504 47.586 0.133 in (null):R-9999 (4) and CD(57) at 62.6762 46.8603 0.841206 in (null):P-9999 (8) other bump:3.04888 Ang CA(37) at 65.06 45.272 -0.203 in (null):G-9999 (5) and CD(57) at 62.6762 46.8603 0.841206 in (null):P-9999 (8) other bump:2.5756 Ang O(38) at 63.791 44.725 1.753 in (null):G-9999 (5) and CD(57) at 62.6762 46.8603 0.841206 in (null):P-9999 (8) other bump:2.74425 Ang C(39) at 64.828 45.221 1.303 in (null):G-9999 (5) and CD(57) at 62.6762 46.8603 0.841206 in (null):P-9999 (8) other bump:2.43929 Ang C(35) at 64.604 47.67 -0.415 in (null):R-9999 (4) and CD(57) at 62.6762 46.8603 0.841206 in (null):P-9999 (8) other bump:2.00811 Ang O(34) at 63.504 47.586 0.133 in (null):R-9999 (4) and CG(56) at 61.9763 46.4092 -0.427258 in (null):P-9999 (8) other bump:2.91451 Ang C(35) at 64.604 47.67 -0.415 in (null):R-9999 (4) and CG(56) at 61.9763 46.4092 -0.427258 in (null):P-9999 (8) Number of specific fragments= 1 total=2154 # 2bnh.231.231 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 231 :LESRGMAPI 2bnh 231 :SNGLGDAGI Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.64483 Ang O(34) at 6.895 45.767 38.26 in (null):R-9999 (4) and CD(57) at 7.24556 47.2397 38.9032 in (null):P-9999 (8) other bump:2.78244 Ang C(35) at 6.673 45.058 37.274 in (null):R-9999 (4) and CD(57) at 7.24556 47.2397 38.9032 in (null):P-9999 (8) other bump:3.10009 Ang C(39) at 5.184 47.658 36.626 in (null):G-9999 (5) and CD(57) at 7.24556 47.2397 38.9032 in (null):P-9999 (8) other bump:2.82665 Ang CA(26) at 7.627 43.941 36.912 in (null):R-9999 (4) and CG(56) at 8.16235 46.0442 38.7231 in (null):P-9999 (8) other bump:1.37748 Ang O(34) at 6.895 45.767 38.26 in (null):R-9999 (4) and CG(56) at 8.16235 46.0442 38.7231 in (null):P-9999 (8) other bump:2.30012 Ang C(35) at 6.673 45.058 37.274 in (null):R-9999 (4) and CG(56) at 8.16235 46.0442 38.7231 in (null):P-9999 (8) other bump:3.07727 Ang CB(27) at 8.7045 44.3957 35.791 in (null):R-9999 (4) and CB(55) at 9.28981 46.5694 37.8892 in (null):P-9999 (8) other bump:3.26012 Ang CA(26) at 7.627 43.941 36.912 in (null):R-9999 (4) and CB(55) at 9.28981 46.5694 37.8892 in (null):P-9999 (8) other bump:2.55275 Ang O(34) at 6.895 45.767 38.26 in (null):R-9999 (4) and CB(55) at 9.28981 46.5694 37.8892 in (null):P-9999 (8) other bump:3.08392 Ang C(35) at 6.673 45.058 37.274 in (null):R-9999 (4) and CB(55) at 9.28981 46.5694 37.8892 in (null):P-9999 (8) Number of specific fragments= 1 total=2155 # 1qs0A.231.231 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 231 :LESRGMAPI 1qs0A 233 :APVILNVVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2156 # 1e6yB.231.231 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 231 :LESRGMAPI 1e6yB 2233 :HQLLGLAYQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81697 Ang C(35) at 32.14 79.982 31.358 in (null):R-9999 (4) and CD(57) at 31.7225 82.44 30.0467 in (null):P-9999 (8) other bump:1.64147 Ang O(34) at 31.804 81.117 31.015 in (null):R-9999 (4) and CD(57) at 31.7225 82.44 30.0467 in (null):P-9999 (8) other bump:2.38938 Ang O(34) at 31.804 81.117 31.015 in (null):R-9999 (4) and CG(56) at 30.2124 82.5798 29.9971 in (null):P-9999 (8) Number of specific fragments= 1 total=2157 # 1afrA.231.234 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 231 :LESRGMAPI 1afrA 253 :LAFADMMRK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2158 # 1qbqA.232.233 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 232 :ESRGMAPIA 1qbqA 278 :NYLKGILQD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45326 Ang O(30) at 208.165 103.068 33.471 in (null):G-9999 (4) and CD1(57) at 206.95 102.885 35.5945 in (null):I-9999 (8) other bump:2.87608 Ang CA(29) at 209.36 104.37 35.085 in (null):G-9999 (4) and CD1(57) at 206.95 102.885 35.5945 in (null):I-9999 (8) other bump:2.68188 Ang C(31) at 208.51 104.183 33.841 in (null):G-9999 (4) and CD1(57) at 206.95 102.885 35.5945 in (null):I-9999 (8) other bump:2.53784 Ang O(30) at 208.165 103.068 33.471 in (null):G-9999 (4) and CB(54) at 206.441 101.224 33.7264 in (null):I-9999 (8) neighbor-bump: 2.66905 Ang N(40) at 209.262 104.652 30.594 in (null):A-9999 (6) and CD(49) at 211.046 102.983 31.6693 in (null):P-9999 (7) other bump:2.04405 Ang O(26) at 211.539 103.954 33.399 in (null):R-9999 (3) and CD(49) at 211.046 102.983 31.6693 in (null):P-9999 (7) other bump:3.07382 Ang C(27) at 211.382 105.059 33.911 in (null):R-9999 (3) and CD(49) at 211.046 102.983 31.6693 in (null):P-9999 (7) other bump:2.30783 Ang O(26) at 211.539 103.954 33.399 in (null):R-9999 (3) and CG(48) at 212.153 102.086 32.1906 in (null):P-9999 (7) other bump:2.31203 Ang O(9) at 207.784 108.17 33.964 in (null):E-9999 (1) and CG(35) at 206.132 107.44 32.5205 in (null):M-9999 (5) Number of specific fragments= 1 total=2159 # 1afrA.232.232 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 232 :ESRGMAPIA 1afrA 251 :TVLAFADMM Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.309 Ang O(26) at 63.504 47.586 0.133 in (null):R-9999 (3) and CD(49) at 62.6762 46.8603 0.841206 in (null):P-9999 (7) other bump:2.43929 Ang C(27) at 64.604 47.67 -0.415 in (null):R-9999 (3) and CD(49) at 62.6762 46.8603 0.841206 in (null):P-9999 (7) other bump:3.04888 Ang CA(29) at 65.06 45.272 -0.203 in (null):G-9999 (4) and CD(49) at 62.6762 46.8603 0.841206 in (null):P-9999 (7) other bump:2.5756 Ang O(30) at 63.791 44.725 1.753 in (null):G-9999 (4) and CD(49) at 62.6762 46.8603 0.841206 in (null):P-9999 (7) other bump:2.74425 Ang C(31) at 64.828 45.221 1.303 in (null):G-9999 (4) and CD(49) at 62.6762 46.8603 0.841206 in (null):P-9999 (7) other bump:2.00811 Ang O(26) at 63.504 47.586 0.133 in (null):R-9999 (3) and CG(48) at 61.9763 46.4092 -0.427258 in (null):P-9999 (7) other bump:2.91451 Ang C(27) at 64.604 47.67 -0.415 in (null):R-9999 (3) and CG(48) at 61.9763 46.4092 -0.427258 in (null):P-9999 (7) Number of specific fragments= 1 total=2160 # 2bnh.232.232 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 232 :ESRGMAPIA 2bnh 232 :NGLGDAGIA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78244 Ang C(27) at 6.673 45.058 37.274 in (null):R-9999 (3) and CD(49) at 7.24556 47.2397 38.9032 in (null):P-9999 (7) other bump:3.10009 Ang C(31) at 5.184 47.658 36.626 in (null):G-9999 (4) and CD(49) at 7.24556 47.2397 38.9032 in (null):P-9999 (7) other bump:1.64483 Ang O(26) at 6.895 45.767 38.26 in (null):R-9999 (3) and CD(49) at 7.24556 47.2397 38.9032 in (null):P-9999 (7) other bump:2.82665 Ang CA(18) at 7.627 43.941 36.912 in (null):R-9999 (3) and CG(48) at 8.16235 46.0442 38.7231 in (null):P-9999 (7) other bump:2.30012 Ang C(27) at 6.673 45.058 37.274 in (null):R-9999 (3) and CG(48) at 8.16235 46.0442 38.7231 in (null):P-9999 (7) other bump:1.37748 Ang O(26) at 6.895 45.767 38.26 in (null):R-9999 (3) and CG(48) at 8.16235 46.0442 38.7231 in (null):P-9999 (7) other bump:3.26012 Ang CA(18) at 7.627 43.941 36.912 in (null):R-9999 (3) and CB(47) at 9.28981 46.5694 37.8892 in (null):P-9999 (7) other bump:3.07727 Ang CB(19) at 8.7045 44.3957 35.791 in (null):R-9999 (3) and CB(47) at 9.28981 46.5694 37.8892 in (null):P-9999 (7) other bump:3.08392 Ang C(27) at 6.673 45.058 37.274 in (null):R-9999 (3) and CB(47) at 9.28981 46.5694 37.8892 in (null):P-9999 (7) other bump:2.55275 Ang O(26) at 6.895 45.767 38.26 in (null):R-9999 (3) and CB(47) at 9.28981 46.5694 37.8892 in (null):P-9999 (7) Number of specific fragments= 1 total=2161 # 1qs0A.232.232 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 232 :ESRGMAPIA 1qs0A 234 :PVILNVVNN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2162 # 1afrA.232.235 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 232 :ESRGMAPIA 1afrA 254 :AFADMMRKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2163 # 1fnf.232.232 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 232 :ESRGMAPIA 1fnf 1374 :RVPHSRNSI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39279 Ang N(45) at 3.598 11.065 -11.708 in (null):P-9999 (7) and CD(49) at 2.24712 11.0151 -11.3726 in (null):P-9999 (7) neighbor-bump: 2.36081 Ang CA(41) at 3.096 12.77 -10.041 in (null):A-9999 (6) and CD(49) at 2.24712 11.0151 -11.3726 in (null):P-9999 (7) neighbor-bump: 1.89849 Ang C(44) at 3.848 11.508 -10.479 in (null):A-9999 (6) and CD(49) at 2.24712 11.0151 -11.3726 in (null):P-9999 (7) self-bump: 2.19886 Ang N(45) at 3.598 11.065 -11.708 in (null):P-9999 (7) and CG(48) at 1.80172 9.98268 -12.369 in (null):P-9999 (7) Number of specific fragments= 1 total=2164 # 1qbqA.233.234 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 233 :SRGMAPIAE 1qbqA 279 :YLKGILQDR Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87608 Ang CA(20) at 209.36 104.37 35.085 in (null):G-9999 (3) and CD1(48) at 206.95 102.885 35.5945 in (null):I-9999 (7) other bump:2.45326 Ang O(21) at 208.165 103.068 33.471 in (null):G-9999 (3) and CD1(48) at 206.95 102.885 35.5945 in (null):I-9999 (7) other bump:2.68188 Ang C(22) at 208.51 104.183 33.841 in (null):G-9999 (3) and CD1(48) at 206.95 102.885 35.5945 in (null):I-9999 (7) other bump:2.53784 Ang O(21) at 208.165 103.068 33.471 in (null):G-9999 (3) and CB(45) at 206.441 101.224 33.7264 in (null):I-9999 (7) neighbor-bump: 2.66905 Ang N(31) at 209.262 104.652 30.594 in (null):A-9999 (5) and CD(40) at 211.046 102.983 31.6693 in (null):P-9999 (6) other bump:2.04405 Ang O(17) at 211.539 103.954 33.399 in (null):R-9999 (2) and CD(40) at 211.046 102.983 31.6693 in (null):P-9999 (6) other bump:3.07382 Ang C(18) at 211.382 105.059 33.911 in (null):R-9999 (2) and CD(40) at 211.046 102.983 31.6693 in (null):P-9999 (6) other bump:2.30783 Ang O(17) at 211.539 103.954 33.399 in (null):R-9999 (2) and CG(39) at 212.153 102.086 32.1906 in (null):P-9999 (6) other bump:2.31203 Ang O(0) at 207.784 108.17 33.964 in (null):G-9999 (0) and CG(26) at 206.132 107.44 32.5205 in (null):M-9999 (4) Number of specific fragments= 1 total=2165 # 1afrA.233.233 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 233 :SRGMAPIAE 1afrA 252 :VLAFADMMR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.309 Ang O(17) at 63.504 47.586 0.133 in (null):R-9999 (2) and CD(40) at 62.6762 46.8603 0.841206 in (null):P-9999 (6) other bump:2.43929 Ang C(18) at 64.604 47.67 -0.415 in (null):R-9999 (2) and CD(40) at 62.6762 46.8603 0.841206 in (null):P-9999 (6) other bump:3.04888 Ang CA(20) at 65.06 45.272 -0.203 in (null):G-9999 (3) and CD(40) at 62.6762 46.8603 0.841206 in (null):P-9999 (6) other bump:2.5756 Ang O(21) at 63.791 44.725 1.753 in (null):G-9999 (3) and CD(40) at 62.6762 46.8603 0.841206 in (null):P-9999 (6) other bump:2.74425 Ang C(22) at 64.828 45.221 1.303 in (null):G-9999 (3) and CD(40) at 62.6762 46.8603 0.841206 in (null):P-9999 (6) other bump:2.00811 Ang O(17) at 63.504 47.586 0.133 in (null):R-9999 (2) and CG(39) at 61.9763 46.4092 -0.427258 in (null):P-9999 (6) other bump:2.91451 Ang C(18) at 64.604 47.67 -0.415 in (null):R-9999 (2) and CG(39) at 61.9763 46.4092 -0.427258 in (null):P-9999 (6) Number of specific fragments= 1 total=2166 # 2bnh.233.233 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 233 :SRGMAPIAE 2bnh 233 :GLGDAGIAE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.64483 Ang O(17) at 6.895 45.767 38.26 in (null):R-9999 (2) and CD(40) at 7.24556 47.2397 38.9032 in (null):P-9999 (6) other bump:2.78244 Ang C(18) at 6.673 45.058 37.274 in (null):R-9999 (2) and CD(40) at 7.24556 47.2397 38.9032 in (null):P-9999 (6) other bump:3.10009 Ang C(22) at 5.184 47.658 36.626 in (null):G-9999 (3) and CD(40) at 7.24556 47.2397 38.9032 in (null):P-9999 (6) other bump:2.82665 Ang CA(9) at 7.627 43.941 36.912 in (null):R-9999 (2) and CG(39) at 8.16235 46.0442 38.7231 in (null):P-9999 (6) other bump:1.37748 Ang O(17) at 6.895 45.767 38.26 in (null):R-9999 (2) and CG(39) at 8.16235 46.0442 38.7231 in (null):P-9999 (6) other bump:2.30012 Ang C(18) at 6.673 45.058 37.274 in (null):R-9999 (2) and CG(39) at 8.16235 46.0442 38.7231 in (null):P-9999 (6) other bump:3.26012 Ang CA(9) at 7.627 43.941 36.912 in (null):R-9999 (2) and CB(38) at 9.28981 46.5694 37.8892 in (null):P-9999 (6) other bump:2.55275 Ang O(17) at 6.895 45.767 38.26 in (null):R-9999 (2) and CB(38) at 9.28981 46.5694 37.8892 in (null):P-9999 (6) other bump:3.08392 Ang C(18) at 6.673 45.058 37.274 in (null):R-9999 (2) and CB(38) at 9.28981 46.5694 37.8892 in (null):P-9999 (6) other bump:3.07727 Ang CB(10) at 8.7045 44.3957 35.791 in (null):R-9999 (2) and CB(38) at 9.28981 46.5694 37.8892 in (null):P-9999 (6) Number of specific fragments= 1 total=2167 # 1qs0A.233.233 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 233 :SRGMAPIAE 1qs0A 235 :VILNVVNNQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2168 # 1et0A.233.233 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 233 :SRGMAPIAE 1et0A 254 :ICNALMPVM Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.24492 Ang CB(38) at -10.7036 22.0937 61.6418 in (null):P-9999 (6) and C(50) at -8.627 24.139 63.068 in (null):I-9999 (7) neighbor-bump: 3.17979 Ang CB(38) at -10.7036 22.0937 61.6418 in (null):P-9999 (6) and CA(44) at -8.362 24.243 61.55 in (null):I-9999 (7) other bump:3.18194 Ang C(22) at -5.814 20.845 61.616 in (null):G-9999 (3) and CD(40) at -8.8505 20.9613 60.6721 in (null):P-9999 (6) Number of specific fragments= 1 total=2169 # 1fnf.233.233 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 233 :SRGMAPIAE 1fnf 1375 :VPHSRNSIT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39279 Ang N(36) at 3.598 11.065 -11.708 in (null):P-9999 (6) and CD(40) at 2.24712 11.0151 -11.3726 in (null):P-9999 (6) neighbor-bump: 2.36081 Ang CA(32) at 3.096 12.77 -10.041 in (null):A-9999 (5) and CD(40) at 2.24712 11.0151 -11.3726 in (null):P-9999 (6) neighbor-bump: 1.89849 Ang C(35) at 3.848 11.508 -10.479 in (null):A-9999 (5) and CD(40) at 2.24712 11.0151 -11.3726 in (null):P-9999 (6) self-bump: 2.19886 Ang N(36) at 3.598 11.065 -11.708 in (null):P-9999 (6) and CG(39) at 1.80172 9.98268 -12.369 in (null):P-9999 (6) Number of specific fragments= 1 total=2170 # 1qbqA.234.235 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 234 :RGMAPIAEF 1qbqA 280 :LKGILQDRG Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.70161 Ang O(57) at 208.392 93.841 30.445 in (null):E-9999 (8) and CE2(66) at 208.459 91.1411 30.5137 in (null):F-9999 (9) neighbor-bump: 1.92906 Ang O(57) at 208.392 93.841 30.445 in (null):E-9999 (8) and CD2(64) at 207.76 92.1647 31.1605 in (null):F-9999 (9) neighbor-bump: 2.92432 Ang C(58) at 208.027 95.006 30.522 in (null):E-9999 (8) and CD2(64) at 207.76 92.1647 31.1605 in (null):F-9999 (9) neighbor-bump: 2.39219 Ang O(57) at 208.392 93.841 30.445 in (null):E-9999 (8) and CG(62) at 208.112 92.5708 32.4527 in (null):F-9999 (9) neighbor-bump: 2.26938 Ang O(48) at 207.215 98.18 27.706 in (null):A-9999 (7) and CG(53) at 208.726 96.6178 27.0538 in (null):E-9999 (8) other bump:2.45326 Ang O(15) at 208.165 103.068 33.471 in (null):G-9999 (2) and CD1(42) at 206.95 102.885 35.5945 in (null):I-9999 (6) other bump:2.87608 Ang CA(14) at 209.36 104.37 35.085 in (null):G-9999 (2) and CD1(42) at 206.95 102.885 35.5945 in (null):I-9999 (6) other bump:2.68188 Ang C(16) at 208.51 104.183 33.841 in (null):G-9999 (2) and CD1(42) at 206.95 102.885 35.5945 in (null):I-9999 (6) other bump:2.53784 Ang O(15) at 208.165 103.068 33.471 in (null):G-9999 (2) and CB(39) at 206.441 101.224 33.7264 in (null):I-9999 (6) neighbor-bump: 2.66905 Ang N(25) at 209.262 104.652 30.594 in (null):A-9999 (4) and CD(34) at 211.046 102.983 31.6693 in (null):P-9999 (5) other bump:2.04405 Ang O(11) at 211.539 103.954 33.399 in (null):R-9999 (1) and CD(34) at 211.046 102.983 31.6693 in (null):P-9999 (5) other bump:3.07382 Ang C(12) at 211.382 105.059 33.911 in (null):R-9999 (1) and CD(34) at 211.046 102.983 31.6693 in (null):P-9999 (5) other bump:2.30783 Ang O(11) at 211.539 103.954 33.399 in (null):R-9999 (1) and CG(33) at 212.153 102.086 32.1906 in (null):P-9999 (5) Number of specific fragments= 1 total=2171 # 1afrA.234.234 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 234 :RGMAPIAEF 1afrA 253 :LAFADMMRK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.309 Ang O(11) at 63.504 47.586 0.133 in (null):R-9999 (1) and CD(34) at 62.6762 46.8603 0.841206 in (null):P-9999 (5) other bump:2.43929 Ang C(12) at 64.604 47.67 -0.415 in (null):R-9999 (1) and CD(34) at 62.6762 46.8603 0.841206 in (null):P-9999 (5) other bump:3.04888 Ang CA(14) at 65.06 45.272 -0.203 in (null):G-9999 (2) and CD(34) at 62.6762 46.8603 0.841206 in (null):P-9999 (5) other bump:2.5756 Ang O(15) at 63.791 44.725 1.753 in (null):G-9999 (2) and CD(34) at 62.6762 46.8603 0.841206 in (null):P-9999 (5) other bump:2.74425 Ang C(16) at 64.828 45.221 1.303 in (null):G-9999 (2) and CD(34) at 62.6762 46.8603 0.841206 in (null):P-9999 (5) other bump:2.00811 Ang O(11) at 63.504 47.586 0.133 in (null):R-9999 (1) and CG(33) at 61.9763 46.4092 -0.427258 in (null):P-9999 (5) other bump:2.91451 Ang C(12) at 64.604 47.67 -0.415 in (null):R-9999 (1) and CG(33) at 61.9763 46.4092 -0.427258 in (null):P-9999 (5) Number of specific fragments= 1 total=2172 # 2bnh.234.234 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 234 :RGMAPIAEF 2bnh 234 :LGDAGIAEL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.64483 Ang O(11) at 6.895 45.767 38.26 in (null):R-9999 (1) and CD(34) at 7.24556 47.2397 38.9032 in (null):P-9999 (5) other bump:2.78244 Ang C(12) at 6.673 45.058 37.274 in (null):R-9999 (1) and CD(34) at 7.24556 47.2397 38.9032 in (null):P-9999 (5) other bump:3.10009 Ang C(16) at 5.184 47.658 36.626 in (null):G-9999 (2) and CD(34) at 7.24556 47.2397 38.9032 in (null):P-9999 (5) other bump:2.82665 Ang CA(3) at 7.627 43.941 36.912 in (null):R-9999 (1) and CG(33) at 8.16235 46.0442 38.7231 in (null):P-9999 (5) other bump:1.37748 Ang O(11) at 6.895 45.767 38.26 in (null):R-9999 (1) and CG(33) at 8.16235 46.0442 38.7231 in (null):P-9999 (5) other bump:2.30012 Ang C(12) at 6.673 45.058 37.274 in (null):R-9999 (1) and CG(33) at 8.16235 46.0442 38.7231 in (null):P-9999 (5) other bump:2.93157 Ang CB(4) at 8.79062 44.4832 36.3225 in (null):R-9999 (1) and CG(33) at 8.16235 46.0442 38.7231 in (null):P-9999 (5) other bump:3.26012 Ang CA(3) at 7.627 43.941 36.912 in (null):R-9999 (1) and CB(32) at 9.28981 46.5694 37.8892 in (null):P-9999 (5) other bump:2.55275 Ang O(11) at 6.895 45.767 38.26 in (null):R-9999 (1) and CB(32) at 9.28981 46.5694 37.8892 in (null):P-9999 (5) other bump:3.08392 Ang C(12) at 6.673 45.058 37.274 in (null):R-9999 (1) and CB(32) at 9.28981 46.5694 37.8892 in (null):P-9999 (5) other bump:2.65631 Ang CB(4) at 8.79062 44.4832 36.3225 in (null):R-9999 (1) and CB(32) at 9.28981 46.5694 37.8892 in (null):P-9999 (5) Number of specific fragments= 1 total=2173 # 1qs0A.234.234 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 234 :RGMAPIAEF 1qs0A 236 :ILNVVNNQW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2174 # 1fnf.234.234 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 234 :RGMAPIAEF 1fnf 1376 :PHSRNSITL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39279 Ang N(30) at 3.598 11.065 -11.708 in (null):P-9999 (5) and CD(34) at 2.24712 11.0151 -11.3726 in (null):P-9999 (5) neighbor-bump: 2.36081 Ang CA(26) at 3.096 12.77 -10.041 in (null):A-9999 (4) and CD(34) at 2.24712 11.0151 -11.3726 in (null):P-9999 (5) neighbor-bump: 1.89849 Ang C(29) at 3.848 11.508 -10.479 in (null):A-9999 (4) and CD(34) at 2.24712 11.0151 -11.3726 in (null):P-9999 (5) self-bump: 2.19886 Ang N(30) at 3.598 11.065 -11.708 in (null):P-9999 (5) and CG(33) at 1.80172 9.98268 -12.369 in (null):P-9999 (5) Number of specific fragments= 1 total=2175 # 1et0A.234.234 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 234 :RGMAPIAEF 1et0A 255 :CNALMPVMP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.24492 Ang CB(32) at -10.7036 22.0937 61.6418 in (null):P-9999 (5) and C(44) at -8.627 24.139 63.068 in (null):I-9999 (6) neighbor-bump: 3.17979 Ang CB(32) at -10.7036 22.0937 61.6418 in (null):P-9999 (5) and CA(38) at -8.362 24.243 61.55 in (null):I-9999 (6) other bump:3.18194 Ang C(16) at -5.814 20.845 61.616 in (null):G-9999 (2) and CD(34) at -8.8505 20.9613 60.6721 in (null):P-9999 (5) Number of specific fragments= 1 total=2176 # 1qbqA.235.236 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 235 :GMAPIAEFA 1qbqA 281 :KGILQDRGL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.19285 Ang CD2(53) at 208.57 92.0546 34.767 in (null):F-9999 (8) and CA(65) at 211.097 92.886 36.532 in (null):G-9999 (10) other bump:3.0618 Ang CE2(55) at 208.416 91.4965 36.0246 in (null):F-9999 (8) and CA(65) at 211.097 92.886 36.532 in (null):G-9999 (10) neighbor-bump: 2.26938 Ang O(37) at 207.215 98.18 27.706 in (null):A-9999 (6) and CG(42) at 208.726 96.6178 27.0538 in (null):E-9999 (7) other bump:2.45326 Ang O(4) at 208.165 103.068 33.471 in (null):G-9999 (1) and CD1(31) at 206.95 102.885 35.5945 in (null):I-9999 (5) other bump:2.87608 Ang CA(3) at 209.36 104.37 35.085 in (null):G-9999 (1) and CD1(31) at 206.95 102.885 35.5945 in (null):I-9999 (5) other bump:2.68188 Ang C(5) at 208.51 104.183 33.841 in (null):G-9999 (1) and CD1(31) at 206.95 102.885 35.5945 in (null):I-9999 (5) other bump:2.53784 Ang O(4) at 208.165 103.068 33.471 in (null):G-9999 (1) and CB(28) at 206.441 101.224 33.7264 in (null):I-9999 (5) neighbor-bump: 2.66905 Ang N(14) at 209.262 104.652 30.594 in (null):A-9999 (3) and CD(23) at 211.046 102.983 31.6693 in (null):P-9999 (4) other bump:2.04405 Ang O(0) at 211.539 103.954 33.399 in (null):G-9999 (0) and CD(23) at 211.046 102.983 31.6693 in (null):P-9999 (4) other bump:3.07382 Ang C(1) at 211.382 105.059 33.911 in (null):G-9999 (0) and CD(23) at 211.046 102.983 31.6693 in (null):P-9999 (4) other bump:2.30783 Ang O(0) at 211.539 103.954 33.399 in (null):G-9999 (0) and CG(22) at 212.153 102.086 32.1906 in (null):P-9999 (4) Number of specific fragments= 1 total=2177 # 1afrA.235.235 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 235 :GMAPIAEFA 1afrA 254 :AFADMMRKK Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5549 Ang O(24) at 58.881 44.727 2.61 in (null):P-9999 (4) and CD1(52) at 57.4238 43.0014 1.41559 in (null):F-9999 (8) other bump:1.309 Ang O(0) at 63.504 47.586 0.133 in (null):G-9999 (0) and CD(23) at 62.6762 46.8603 0.841206 in (null):P-9999 (4) other bump:3.04888 Ang CA(3) at 65.06 45.272 -0.203 in (null):G-9999 (1) and CD(23) at 62.6762 46.8603 0.841206 in (null):P-9999 (4) other bump:2.5756 Ang O(4) at 63.791 44.725 1.753 in (null):G-9999 (1) and CD(23) at 62.6762 46.8603 0.841206 in (null):P-9999 (4) other bump:2.74425 Ang C(5) at 64.828 45.221 1.303 in (null):G-9999 (1) and CD(23) at 62.6762 46.8603 0.841206 in (null):P-9999 (4) other bump:2.43929 Ang C(1) at 64.604 47.67 -0.415 in (null):G-9999 (0) and CD(23) at 62.6762 46.8603 0.841206 in (null):P-9999 (4) other bump:2.00811 Ang O(0) at 63.504 47.586 0.133 in (null):G-9999 (0) and CG(22) at 61.9763 46.4092 -0.427258 in (null):P-9999 (4) other bump:2.91451 Ang C(1) at 64.604 47.67 -0.415 in (null):G-9999 (0) and CG(22) at 61.9763 46.4092 -0.427258 in (null):P-9999 (4) Number of specific fragments= 1 total=2178 # 2bnh.235.235 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 235 :GMAPIAEFA 2bnh 235 :GDAGIAELC Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.64483 Ang O(0) at 6.895 45.767 38.26 in (null):G-9999 (0) and CD(23) at 7.24556 47.2397 38.9032 in (null):P-9999 (4) other bump:2.78244 Ang C(1) at 6.673 45.058 37.274 in (null):G-9999 (0) and CD(23) at 7.24556 47.2397 38.9032 in (null):P-9999 (4) other bump:3.10009 Ang C(5) at 5.184 47.658 36.626 in (null):G-9999 (1) and CD(23) at 7.24556 47.2397 38.9032 in (null):P-9999 (4) other bump:1.37748 Ang O(0) at 6.895 45.767 38.26 in (null):G-9999 (0) and CG(22) at 8.16235 46.0442 38.7231 in (null):P-9999 (4) other bump:2.30012 Ang C(1) at 6.673 45.058 37.274 in (null):G-9999 (0) and CG(22) at 8.16235 46.0442 38.7231 in (null):P-9999 (4) other bump:2.55275 Ang O(0) at 6.895 45.767 38.26 in (null):G-9999 (0) and CB(21) at 9.28981 46.5694 37.8892 in (null):P-9999 (4) other bump:3.08392 Ang C(1) at 6.673 45.058 37.274 in (null):G-9999 (0) and CB(21) at 9.28981 46.5694 37.8892 in (null):P-9999 (4) Number of specific fragments= 1 total=2179 # 1d2eA.235.146 read from T0147_twice.t2k.frag # adding 1d2eA to template set 1d2eA:# found chain 1d2eA in template set T0147_twice 235 :GMAPIAEFA 1d2eA 201 :ELLTEFGYK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.47021 Ang O(0) at -0.616 6.015 50.044 in (null):G-9999 (0) and CD(23) at -0.269201 6.82138 51.2234 in (null):P-9999 (4) other bump:2.64804 Ang C(1) at -0.937 4.998 49.423 in (null):G-9999 (0) and CD(23) at -0.269201 6.82138 51.2234 in (null):P-9999 (4) other bump:3.06369 Ang C(5) at -1.88 4.413 52.219 in (null):G-9999 (1) and CD(23) at -0.269201 6.82138 51.2234 in (null):P-9999 (4) other bump:2.15492 Ang O(0) at -0.616 6.015 50.044 in (null):G-9999 (0) and CG(22) at -1.22171 7.93168 50.8206 in (null):P-9999 (4) other bump:3.26204 Ang C(1) at -0.937 4.998 49.423 in (null):G-9999 (0) and CG(22) at -1.22171 7.93168 50.8206 in (null):P-9999 (4) Number of specific fragments= 1 total=2180 # 1fnf.235.235 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 235 :GMAPIAEFA 1fnf 1377 :HSRNSITLT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.89849 Ang C(18) at 3.848 11.508 -10.479 in (null):A-9999 (3) and CD(23) at 2.24712 11.0151 -11.3726 in (null):P-9999 (4) self-bump: 1.39279 Ang N(19) at 3.598 11.065 -11.708 in (null):P-9999 (4) and CD(23) at 2.24712 11.0151 -11.3726 in (null):P-9999 (4) neighbor-bump: 2.36081 Ang CA(15) at 3.096 12.77 -10.041 in (null):A-9999 (3) and CD(23) at 2.24712 11.0151 -11.3726 in (null):P-9999 (4) self-bump: 2.19886 Ang N(19) at 3.598 11.065 -11.708 in (null):P-9999 (4) and CG(22) at 1.80172 9.98268 -12.369 in (null):P-9999 (4) Number of specific fragments= 1 total=2181 # 1qs0A.235.235 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 235 :GMAPIAEFA 1qs0A 237 :LNVVNNQWA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2182 # 1qbqA.236.237 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 236 :MAPIAEFAD 1qbqA 282 :GILQDRGLS Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00317 Ang CE2(51) at 208.416 91.4965 36.0246 in (null):F-9999 (7) and OD2(65) at 208.485 92.3672 38.898 in (null):D-9999 (9) other bump:2.98149 Ang CE2(51) at 208.416 91.4965 36.0246 in (null):F-9999 (7) and CG(63) at 209.68 92.4501 38.5511 in (null):D-9999 (9) other bump:2.87947 Ang CZ(52) at 207.228 91.6814 36.7269 in (null):F-9999 (7) and CB(62) at 210.059 91.9618 37.1706 in (null):D-9999 (9) other bump:2.82909 Ang CD2(49) at 208.57 92.0546 34.767 in (null):F-9999 (7) and CB(62) at 210.059 91.9618 37.1706 in (null):D-9999 (9) other bump:2.05616 Ang CE2(51) at 208.416 91.4965 36.0246 in (null):F-9999 (7) and CB(62) at 210.059 91.9618 37.1706 in (null):D-9999 (9) other bump:3.19285 Ang CD2(49) at 208.57 92.0546 34.767 in (null):F-9999 (7) and CA(61) at 211.097 92.886 36.532 in (null):D-9999 (9) other bump:3.0618 Ang CE2(51) at 208.416 91.4965 36.0246 in (null):F-9999 (7) and CA(61) at 211.097 92.886 36.532 in (null):D-9999 (9) neighbor-bump: 2.26938 Ang O(33) at 207.215 98.18 27.706 in (null):A-9999 (5) and CG(38) at 208.726 96.6178 27.0538 in (null):E-9999 (6) other bump:2.45326 Ang O(0) at 208.165 103.068 33.471 in (null):G-9999 (0) and CD1(27) at 206.95 102.885 35.5945 in (null):I-9999 (4) other bump:2.68188 Ang C(1) at 208.51 104.183 33.841 in (null):G-9999 (0) and CD1(27) at 206.95 102.885 35.5945 in (null):I-9999 (4) other bump:2.53784 Ang O(0) at 208.165 103.068 33.471 in (null):G-9999 (0) and CB(24) at 206.441 101.224 33.7264 in (null):I-9999 (4) neighbor-bump: 2.66905 Ang N(10) at 209.262 104.652 30.594 in (null):A-9999 (2) and CD(19) at 211.046 102.983 31.6693 in (null):P-9999 (3) Number of specific fragments= 1 total=2183 # 1afrA.236.236 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 236 :MAPIAEFAD 1afrA 255 :FADMMRKKI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5549 Ang O(20) at 58.881 44.727 2.61 in (null):P-9999 (3) and CD1(48) at 57.4238 43.0014 1.41559 in (null):F-9999 (7) other bump:2.5756 Ang O(0) at 63.791 44.725 1.753 in (null):G-9999 (0) and CD(19) at 62.6762 46.8603 0.841206 in (null):P-9999 (3) other bump:2.74425 Ang C(1) at 64.828 45.221 1.303 in (null):G-9999 (0) and CD(19) at 62.6762 46.8603 0.841206 in (null):P-9999 (3) Number of specific fragments= 1 total=2184 # 1d2eA.236.147 read from T0147_twice.t2k.frag # found chain 1d2eA in template set T0147_twice 236 :MAPIAEFAD 1d2eA 202 :LLTEFGYKG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.13554 Ang CD(19) at -0.269201 6.82138 51.2234 in (null):P-9999 (3) and OD2(65) at 1.71436 6.67703 50.4455 in (null):D-9999 (9) other bump:2.03282 Ang CA(11) at 2.252 5.881 52.237 in (null):A-9999 (2) and OD2(65) at 1.71436 6.67703 50.4455 in (null):D-9999 (9) other bump:1.14391 Ang CB(12) at 2.671 6.151 50.787 in (null):A-9999 (2) and OD2(65) at 1.71436 6.67703 50.4455 in (null):D-9999 (9) other bump:2.42571 Ang C(14) at 1.596 7.117 52.828 in (null):A-9999 (2) and OD2(65) at 1.71436 6.67703 50.4455 in (null):D-9999 (9) other bump:2.62505 Ang C(1) at -1.88 4.413 52.219 in (null):G-9999 (0) and OD1(64) at -0.331816 5.95441 50.7636 in (null):D-9999 (9) other bump:2.29462 Ang N(15) at 0.361 7.381 52.422 in (null):P-9999 (3) and OD1(64) at -0.331816 5.95441 50.7636 in (null):D-9999 (9) other bump:2.16904 Ang CG(18) at -1.22171 7.93168 50.8206 in (null):P-9999 (3) and OD1(64) at -0.331816 5.95441 50.7636 in (null):D-9999 (9) other bump:0.983322 Ang CD(19) at -0.269201 6.82138 51.2234 in (null):P-9999 (3) and OD1(64) at -0.331816 5.95441 50.7636 in (null):D-9999 (9) other bump:2.43481 Ang N(15) at 0.361 7.381 52.422 in (null):P-9999 (3) and CG(63) at 0.509727 6.60947 50.1175 in (null):D-9999 (9) other bump:2.28923 Ang CG(18) at -1.22171 7.93168 50.8206 in (null):P-9999 (3) and CG(63) at 0.509727 6.60947 50.1175 in (null):D-9999 (9) other bump:1.36922 Ang CD(19) at -0.269201 6.82138 51.2234 in (null):P-9999 (3) and CG(63) at 0.509727 6.60947 50.1175 in (null):D-9999 (9) other bump:2.98417 Ang N(10) at 1.335 4.748 52.299 in (null):A-9999 (2) and CG(63) at 0.509727 6.60947 50.1175 in (null):D-9999 (9) other bump:2.83878 Ang CA(11) at 2.252 5.881 52.237 in (null):A-9999 (2) and CG(63) at 0.509727 6.60947 50.1175 in (null):D-9999 (9) other bump:2.30859 Ang CB(12) at 2.671 6.151 50.787 in (null):A-9999 (2) and CG(63) at 0.509727 6.60947 50.1175 in (null):D-9999 (9) other bump:2.96389 Ang C(14) at 1.596 7.117 52.828 in (null):A-9999 (2) and CG(63) at 0.509727 6.60947 50.1175 in (null):D-9999 (9) other bump:2.3989 Ang CG(18) at -1.22171 7.93168 50.8206 in (null):P-9999 (3) and CB(62) at 0.0394201 7.32966 48.8708 in (null):D-9999 (9) other bump:2.4266 Ang CD(19) at -0.269201 6.82138 51.2234 in (null):P-9999 (3) and CB(62) at 0.0394201 7.32966 48.8708 in (null):D-9999 (9) other bump:3.06369 Ang C(1) at -1.88 4.413 52.219 in (null):G-9999 (0) and CD(19) at -0.269201 6.82138 51.2234 in (null):P-9999 (3) Number of specific fragments= 1 total=2185 # 2bnh.236.236 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 236 :MAPIAEFAD 2bnh 236 :DAGIAELCP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.10009 Ang C(1) at 5.184 47.658 36.626 in (null):G-9999 (0) and CD(19) at 7.24556 47.2397 38.9032 in (null):P-9999 (3) Number of specific fragments= 1 total=2186 # 1fnf.236.236 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 236 :MAPIAEFAD 1fnf 1378 :SRNSITLTN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.36081 Ang CA(11) at 3.096 12.77 -10.041 in (null):A-9999 (2) and CD(19) at 2.24712 11.0151 -11.3726 in (null):P-9999 (3) neighbor-bump: 1.89849 Ang C(14) at 3.848 11.508 -10.479 in (null):A-9999 (2) and CD(19) at 2.24712 11.0151 -11.3726 in (null):P-9999 (3) self-bump: 1.39279 Ang N(15) at 3.598 11.065 -11.708 in (null):P-9999 (3) and CD(19) at 2.24712 11.0151 -11.3726 in (null):P-9999 (3) self-bump: 2.19886 Ang N(15) at 3.598 11.065 -11.708 in (null):P-9999 (3) and CG(18) at 1.80172 9.98268 -12.369 in (null):P-9999 (3) Number of specific fragments= 1 total=2187 # 1gt7A.236.236 read from T0147_twice.t2k.frag # adding 1gt7A to template set 1gt7A:# found chain 1gt7A in template set T0147_twice 236 :MAPIAEFAD 1gt7A 237 :VLVKVYSMG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7013 Ang C(21) at -34.354 46.09 57.018 in (null):P-9999 (3) and CE2(51) at -31.8233 46.6549 56.2608 in (null):F-9999 (7) other bump:2.95609 Ang CA(16) at -34.436 47.585 57.284 in (null):P-9999 (3) and CE2(51) at -31.8233 46.6549 56.2608 in (null):F-9999 (7) other bump:2.20854 Ang O(20) at -33.791 45.691 55.984 in (null):P-9999 (3) and CE2(51) at -31.8233 46.6549 56.2608 in (null):F-9999 (7) other bump:3.04687 Ang CB(17) at -33.5034 48.0404 58.3918 in (null):P-9999 (3) and CE2(51) at -31.8233 46.6549 56.2608 in (null):F-9999 (7) other bump:2.44757 Ang C(21) at -34.354 46.09 57.018 in (null):P-9999 (3) and CD2(49) at -32.3462 45.4562 55.7699 in (null):F-9999 (7) other bump:1.47931 Ang O(20) at -33.791 45.691 55.984 in (null):P-9999 (3) and CD2(49) at -32.3462 45.4562 55.7699 in (null):F-9999 (7) other bump:3.02432 Ang C(1) at -36.316 47.164 61.469 in (null):G-9999 (0) and CD(19) at -35.6792 48.7859 58.9971 in (null):P-9999 (3) Number of specific fragments= 1 total=2188 # 1qbqA.237.238 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 237 :APIAEFADL 1qbqA 283 :ILQDRGLSR Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63558 Ang O(34) at 208.392 93.841 30.445 in (null):E-9999 (5) and CD1(64) at 209.743 91.5801 30.3506 in (null):L-9999 (9) other bump:3.00321 Ang CE2(43) at 208.416 91.4965 36.0246 in (null):F-9999 (6) and OD2(57) at 208.485 92.3672 38.898 in (null):D-9999 (8) other bump:2.98153 Ang CE2(43) at 208.416 91.4965 36.0246 in (null):F-9999 (6) and CG(55) at 209.68 92.4501 38.5511 in (null):D-9999 (8) other bump:2.0562 Ang CE2(43) at 208.416 91.4965 36.0246 in (null):F-9999 (6) and CB(54) at 210.059 91.9618 37.1706 in (null):D-9999 (8) other bump:2.8795 Ang CZ(44) at 207.228 91.6814 36.7269 in (null):F-9999 (6) and CB(54) at 210.059 91.9618 37.1706 in (null):D-9999 (8) other bump:2.82913 Ang CD2(41) at 208.57 92.0546 34.767 in (null):F-9999 (6) and CB(54) at 210.059 91.9618 37.1706 in (null):D-9999 (8) other bump:3.0618 Ang CE2(43) at 208.416 91.4965 36.0246 in (null):F-9999 (6) and CA(53) at 211.097 92.886 36.532 in (null):D-9999 (8) other bump:3.19285 Ang CD2(41) at 208.57 92.0546 34.767 in (null):F-9999 (6) and CA(53) at 211.097 92.886 36.532 in (null):D-9999 (8) neighbor-bump: 2.26938 Ang O(25) at 207.215 98.18 27.706 in (null):A-9999 (4) and CG(30) at 208.726 96.6178 27.0538 in (null):E-9999 (5) neighbor-bump: 2.66905 Ang N(2) at 209.262 104.652 30.594 in (null):A-9999 (1) and CD(11) at 211.046 102.983 31.6693 in (null):P-9999 (2) Number of specific fragments= 1 total=2189 # 1afrA.237.237 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 237 :APIAEFADL 1afrA 256 :ADMMRKKIS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30613 Ang CG2(18) at 61.9624 41.4391 5.3629 in (null):I-9999 (3) and OD1(56) at 61.4456 40.1254 7.18646 in (null):D-9999 (8) other bump:2.5549 Ang O(12) at 58.881 44.727 2.61 in (null):P-9999 (2) and CD1(40) at 57.4238 43.0014 1.41559 in (null):F-9999 (6) Number of specific fragments= 1 total=2190 # 1d2eA.237.148 read from T0147_twice.t2k.frag # found chain 1d2eA in template set T0147_twice 237 :APIAEFADL 1d2eA 203 :LTEFGYKGE Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.13555 Ang CD(11) at -0.269201 6.82138 51.2234 in (null):P-9999 (2) and OD2(57) at 1.71436 6.67703 50.4455 in (null):D-9999 (8) other bump:1.14391 Ang CB(4) at 2.671 6.151 50.787 in (null):A-9999 (1) and OD2(57) at 1.71436 6.67703 50.4455 in (null):D-9999 (8) other bump:2.03282 Ang CA(3) at 2.252 5.881 52.237 in (null):A-9999 (1) and OD2(57) at 1.71436 6.67703 50.4455 in (null):D-9999 (8) other bump:2.42571 Ang C(6) at 1.596 7.117 52.828 in (null):A-9999 (1) and OD2(57) at 1.71436 6.67703 50.4455 in (null):D-9999 (8) other bump:2.16905 Ang CG(10) at -1.22171 7.93168 50.8206 in (null):P-9999 (2) and OD1(56) at -0.331811 5.95441 50.7636 in (null):D-9999 (8) other bump:0.983327 Ang CD(11) at -0.269201 6.82138 51.2234 in (null):P-9999 (2) and OD1(56) at -0.331811 5.95441 50.7636 in (null):D-9999 (8) other bump:2.29462 Ang N(7) at 0.361 7.381 52.422 in (null):P-9999 (2) and OD1(56) at -0.331811 5.95441 50.7636 in (null):D-9999 (8) other bump:2.28923 Ang CG(10) at -1.22171 7.93168 50.8206 in (null):P-9999 (2) and CG(55) at 0.509729 6.60947 50.1175 in (null):D-9999 (8) other bump:1.36922 Ang CD(11) at -0.269201 6.82138 51.2234 in (null):P-9999 (2) and CG(55) at 0.509729 6.60947 50.1175 in (null):D-9999 (8) other bump:2.30859 Ang CB(4) at 2.671 6.151 50.787 in (null):A-9999 (1) and CG(55) at 0.509729 6.60947 50.1175 in (null):D-9999 (8) other bump:2.98417 Ang N(2) at 1.335 4.748 52.299 in (null):A-9999 (1) and CG(55) at 0.509729 6.60947 50.1175 in (null):D-9999 (8) other bump:2.83877 Ang CA(3) at 2.252 5.881 52.237 in (null):A-9999 (1) and CG(55) at 0.509729 6.60947 50.1175 in (null):D-9999 (8) other bump:2.96389 Ang C(6) at 1.596 7.117 52.828 in (null):A-9999 (1) and CG(55) at 0.509729 6.60947 50.1175 in (null):D-9999 (8) other bump:2.43481 Ang N(7) at 0.361 7.381 52.422 in (null):P-9999 (2) and CG(55) at 0.509729 6.60947 50.1175 in (null):D-9999 (8) other bump:2.3989 Ang CG(10) at -1.22171 7.93168 50.8206 in (null):P-9999 (2) and CB(54) at 0.039422 7.32966 48.8708 in (null):D-9999 (8) other bump:2.4266 Ang CD(11) at -0.269201 6.82138 51.2234 in (null):P-9999 (2) and CB(54) at 0.039422 7.32966 48.8708 in (null):D-9999 (8) Number of specific fragments= 1 total=2191 # 2bnh.237.237 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 237 :APIAEFADL 2bnh 237 :AGIAELCPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2192 # 1gt7A.237.237 read from T0147_twice.t2k.frag # found chain 1gt7A in template set T0147_twice 237 :APIAEFADL 1gt7A 238 :LVKVYSMGG Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64295 Ang CA(28) at -35.881 46.038 52.429 in (null):E-9999 (5) and CD2(65) at -37.181 47.1049 50.3901 in (null):L-9999 (9) other bump:2.76547 Ang CB(29) at -35.4708 47.4693 52.5326 in (null):E-9999 (5) and CD2(65) at -37.181 47.1049 50.3901 in (null):L-9999 (9) other bump:2.48079 Ang CG(30) at -36.6812 48.3751 52.4616 in (null):E-9999 (5) and CD2(65) at -37.181 47.1049 50.3901 in (null):L-9999 (9) other bump:2.7013 Ang C(13) at -34.354 46.09 57.018 in (null):P-9999 (2) and CE2(43) at -31.8233 46.6549 56.2608 in (null):F-9999 (6) other bump:2.95609 Ang CA(8) at -34.436 47.585 57.284 in (null):P-9999 (2) and CE2(43) at -31.8233 46.6549 56.2608 in (null):F-9999 (6) other bump:2.20854 Ang O(12) at -33.791 45.691 55.984 in (null):P-9999 (2) and CE2(43) at -31.8233 46.6549 56.2608 in (null):F-9999 (6) other bump:3.04687 Ang CB(9) at -33.5034 48.0404 58.3918 in (null):P-9999 (2) and CE2(43) at -31.8233 46.6549 56.2608 in (null):F-9999 (6) other bump:2.44757 Ang C(13) at -34.354 46.09 57.018 in (null):P-9999 (2) and CD2(41) at -32.3462 45.4562 55.7699 in (null):F-9999 (6) other bump:1.47931 Ang O(12) at -33.791 45.691 55.984 in (null):P-9999 (2) and CD2(41) at -32.3462 45.4562 55.7699 in (null):F-9999 (6) Number of specific fragments= 1 total=2193 # 1fnf.237.237 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 237 :APIAEFADL 1fnf 1379 :RNSITLTNL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.36081 Ang CA(3) at 3.096 12.77 -10.041 in (null):A-9999 (1) and CD(11) at 2.24712 11.0151 -11.3726 in (null):P-9999 (2) neighbor-bump: 1.89849 Ang C(6) at 3.848 11.508 -10.479 in (null):A-9999 (1) and CD(11) at 2.24712 11.0151 -11.3726 in (null):P-9999 (2) self-bump: 1.39279 Ang N(7) at 3.598 11.065 -11.708 in (null):P-9999 (2) and CD(11) at 2.24712 11.0151 -11.3726 in (null):P-9999 (2) self-bump: 2.19886 Ang N(7) at 3.598 11.065 -11.708 in (null):P-9999 (2) and CG(10) at 1.80172 9.98268 -12.369 in (null):P-9999 (2) Number of specific fragments= 1 total=2194 # 1qbqA.238.239 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 238 :PIAEFADLM 1qbqA 284 :LQDRGLSRY Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6468 Ang O(45) at 212.451 95.233 35.86 in (null):A-9999 (6) and CB(65) at 214.582 95.6427 34.3445 in (null):M-9999 (9) other bump:2.072 Ang O(29) at 208.392 93.841 30.445 in (null):E-9999 (4) and CD1(59) at 209.291 91.9978 30.7421 in (null):L-9999 (8) other bump:3.00295 Ang CB(33) at 207.756 93.4646 32.8664 in (null):F-9999 (5) and CD1(59) at 209.291 91.9978 30.7421 in (null):L-9999 (8) other bump:3.00321 Ang CE2(38) at 208.416 91.4965 36.0246 in (null):F-9999 (5) and OD2(52) at 208.485 92.3672 38.898 in (null):D-9999 (7) other bump:2.98153 Ang CE2(38) at 208.416 91.4965 36.0246 in (null):F-9999 (5) and CG(50) at 209.68 92.4501 38.5511 in (null):D-9999 (7) other bump:2.82913 Ang CD2(36) at 208.57 92.0546 34.767 in (null):F-9999 (5) and CB(49) at 210.059 91.9618 37.1706 in (null):D-9999 (7) other bump:2.0562 Ang CE2(38) at 208.416 91.4965 36.0246 in (null):F-9999 (5) and CB(49) at 210.059 91.9618 37.1706 in (null):D-9999 (7) other bump:2.8795 Ang CZ(39) at 207.228 91.6814 36.7269 in (null):F-9999 (5) and CB(49) at 210.059 91.9618 37.1706 in (null):D-9999 (7) other bump:3.19285 Ang CD2(36) at 208.57 92.0546 34.767 in (null):F-9999 (5) and CA(48) at 211.097 92.886 36.532 in (null):D-9999 (7) other bump:3.0618 Ang CE2(38) at 208.416 91.4965 36.0246 in (null):F-9999 (5) and CA(48) at 211.097 92.886 36.532 in (null):D-9999 (7) neighbor-bump: 2.26938 Ang O(20) at 207.215 98.18 27.706 in (null):A-9999 (3) and CG(25) at 208.726 96.6178 27.0538 in (null):E-9999 (4) Number of specific fragments= 1 total=2195 # 1afrA.238.238 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 238 :PIAEFADLM 1afrA 257 :DMMRKKISM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30613 Ang CG2(13) at 61.9623 41.4391 5.3629 in (null):I-9999 (2) and OD1(51) at 61.4456 40.1254 7.18646 in (null):D-9999 (7) other bump:2.5549 Ang O(7) at 58.881 44.727 2.61 in (null):P-9999 (1) and CD1(35) at 57.4238 43.0014 1.41559 in (null):F-9999 (5) Number of specific fragments= 1 total=2196 # 1d2eA.238.149 read from T0147_twice.t2k.frag # found chain 1d2eA in template set T0147_twice 238 :PIAEFADLM 1d2eA 204 :TEFGYKGEE Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.13554 Ang CD(6) at -0.269199 6.82138 51.2234 in (null):P-9999 (1) and OD2(52) at 1.71436 6.67703 50.4455 in (null):D-9999 (7) other bump:2.42571 Ang C(1) at 1.596 7.117 52.828 in (null):G-9999 (0) and OD2(52) at 1.71436 6.67703 50.4455 in (null):D-9999 (7) other bump:0.983326 Ang CD(6) at -0.269199 6.82138 51.2234 in (null):P-9999 (1) and OD1(51) at -0.331811 5.95441 50.7636 in (null):D-9999 (7) other bump:2.16904 Ang CG(5) at -1.22171 7.93168 50.8206 in (null):P-9999 (1) and OD1(51) at -0.331811 5.95441 50.7636 in (null):D-9999 (7) other bump:2.29462 Ang N(2) at 0.361 7.381 52.422 in (null):P-9999 (1) and OD1(51) at -0.331811 5.95441 50.7636 in (null):D-9999 (7) other bump:1.36922 Ang CD(6) at -0.269199 6.82138 51.2234 in (null):P-9999 (1) and CG(50) at 0.509729 6.60947 50.1175 in (null):D-9999 (7) other bump:2.28923 Ang CG(5) at -1.22171 7.93168 50.8206 in (null):P-9999 (1) and CG(50) at 0.509729 6.60947 50.1175 in (null):D-9999 (7) other bump:2.96389 Ang C(1) at 1.596 7.117 52.828 in (null):G-9999 (0) and CG(50) at 0.509729 6.60947 50.1175 in (null):D-9999 (7) other bump:2.43481 Ang N(2) at 0.361 7.381 52.422 in (null):P-9999 (1) and CG(50) at 0.509729 6.60947 50.1175 in (null):D-9999 (7) other bump:2.4266 Ang CD(6) at -0.269199 6.82138 51.2234 in (null):P-9999 (1) and CB(49) at 0.039422 7.32966 48.8708 in (null):D-9999 (7) other bump:2.3989 Ang CG(5) at -1.22171 7.93168 50.8206 in (null):P-9999 (1) and CB(49) at 0.039422 7.32966 48.8708 in (null):D-9999 (7) Number of specific fragments= 1 total=2197 # 2bnh.238.238 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 238 :PIAEFADLM 2bnh 238 :GIAELCPGL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08246 Ang CD2(36) at 13.8874 49.8219 32.4692 in (null):F-9999 (5) and SD(67) at 14.5831 51.8765 30.2792 in (null):M-9999 (9) other bump:2.58213 Ang CE2(38) at 14.5766 49.5164 31.3267 in (null):F-9999 (5) and SD(67) at 14.5831 51.8765 30.2792 in (null):M-9999 (9) Number of specific fragments= 1 total=2198 # 1gt7A.238.238 read from T0147_twice.t2k.frag # found chain 1gt7A in template set T0147_twice 238 :PIAEFADLM 1gt7A 239 :VKVYSMGGM Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64295 Ang CA(23) at -35.881 46.038 52.429 in (null):E-9999 (4) and CD2(60) at -37.181 47.1049 50.3901 in (null):L-9999 (8) other bump:2.76547 Ang CB(24) at -35.4708 47.4693 52.5326 in (null):E-9999 (4) and CD2(60) at -37.181 47.1049 50.3901 in (null):L-9999 (8) other bump:2.48079 Ang CG(25) at -36.6812 48.3751 52.4616 in (null):E-9999 (4) and CD2(60) at -37.181 47.1049 50.3901 in (null):L-9999 (8) other bump:2.20854 Ang O(7) at -33.791 45.691 55.984 in (null):P-9999 (1) and CE2(38) at -31.8233 46.6549 56.2608 in (null):F-9999 (5) other bump:2.7013 Ang C(8) at -34.354 46.09 57.018 in (null):P-9999 (1) and CE2(38) at -31.8233 46.6549 56.2608 in (null):F-9999 (5) other bump:2.95609 Ang CA(3) at -34.436 47.585 57.284 in (null):P-9999 (1) and CE2(38) at -31.8233 46.6549 56.2608 in (null):F-9999 (5) other bump:3.04687 Ang CB(4) at -33.5034 48.0404 58.3918 in (null):P-9999 (1) and CE2(38) at -31.8233 46.6549 56.2608 in (null):F-9999 (5) other bump:1.47931 Ang O(7) at -33.791 45.691 55.984 in (null):P-9999 (1) and CD2(36) at -32.3462 45.4562 55.7699 in (null):F-9999 (5) other bump:2.44757 Ang C(8) at -34.354 46.09 57.018 in (null):P-9999 (1) and CD2(36) at -32.3462 45.4562 55.7699 in (null):F-9999 (5) Number of specific fragments= 1 total=2199 # 1d7oA.238.238 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 238 :PIAEFADLM 1d7oA 249 :TMIEYSYNN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2200 # 1qbqA.239.240 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 239 :IAEFADLMY 1qbqA 285 :QDRGLSRYP Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.072 Ang O(22) at 208.392 93.841 30.445 in (null):E-9999 (3) and CD1(52) at 209.291 91.9978 30.7421 in (null):L-9999 (7) other bump:3.00295 Ang CB(26) at 207.756 93.4646 32.8664 in (null):F-9999 (4) and CD1(52) at 209.291 91.9978 30.7421 in (null):L-9999 (7) other bump:3.00321 Ang CE2(31) at 208.416 91.4965 36.0246 in (null):F-9999 (4) and OD2(45) at 208.485 92.3672 38.898 in (null):D-9999 (6) other bump:2.98153 Ang CE2(31) at 208.416 91.4965 36.0246 in (null):F-9999 (4) and CG(43) at 209.68 92.4501 38.5511 in (null):D-9999 (6) other bump:2.82913 Ang CD2(29) at 208.57 92.0546 34.767 in (null):F-9999 (4) and CB(42) at 210.059 91.9618 37.1706 in (null):D-9999 (6) other bump:2.0562 Ang CE2(31) at 208.416 91.4965 36.0246 in (null):F-9999 (4) and CB(42) at 210.059 91.9618 37.1706 in (null):D-9999 (6) other bump:2.8795 Ang CZ(32) at 207.228 91.6814 36.7269 in (null):F-9999 (4) and CB(42) at 210.059 91.9618 37.1706 in (null):D-9999 (6) other bump:3.19285 Ang CD2(29) at 208.57 92.0546 34.767 in (null):F-9999 (4) and CA(41) at 211.097 92.886 36.532 in (null):D-9999 (6) other bump:3.0618 Ang CE2(31) at 208.416 91.4965 36.0246 in (null):F-9999 (4) and CA(41) at 211.097 92.886 36.532 in (null):D-9999 (6) neighbor-bump: 2.26938 Ang O(13) at 207.215 98.18 27.706 in (null):A-9999 (2) and CG(18) at 208.726 96.6178 27.0538 in (null):E-9999 (3) Number of specific fragments= 1 total=2201 # 1afrA.239.239 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 239 :IAEFADLMY 1afrA 258 :MMRKKISMP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30613 Ang CG2(6) at 61.9624 41.4391 5.3629 in (null):I-9999 (1) and OD1(44) at 61.4456 40.1254 7.18646 in (null):D-9999 (6) other bump:2.5549 Ang O(0) at 58.881 44.727 2.61 in (null):G-9999 (0) and CD1(28) at 57.4238 43.0014 1.41559 in (null):F-9999 (4) Number of specific fragments= 1 total=2202 # 1d7oA.239.239 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 239 :IAEFADLMY 1d7oA 250 :MIEYSYNNA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.34537 Ang OD2(45) at -4.95543 25.8504 59.0278 in (null):D-9999 (6) and OH(73) at -3.35302 24.6833 60.2811 in (null):Y-9999 (9) other bump:3.15502 Ang N(40) at -6.435 22.16 57.279 in (null):D-9999 (6) and CE2(71) at -4.22685 22.6348 59.4819 in (null):Y-9999 (9) other bump:2.448 Ang CA(41) at -6.242 23.226 58.224 in (null):D-9999 (6) and CE2(71) at -4.22685 22.6348 59.4819 in (null):Y-9999 (9) other bump:2.84573 Ang O(46) at -6.79 23.218 60.572 in (null):D-9999 (6) and CE2(71) at -4.22685 22.6348 59.4819 in (null):Y-9999 (9) other bump:2.97799 Ang C(47) at -7.173 23.067 59.439 in (null):D-9999 (6) and CE2(71) at -4.22685 22.6348 59.4819 in (null):Y-9999 (9) other bump:2.65861 Ang O(38) at -5.847 20.644 58.789 in (null):A-9999 (5) and CE2(71) at -4.22685 22.6348 59.4819 in (null):Y-9999 (9) other bump:2.75008 Ang C(39) at -6.217 20.916 57.656 in (null):A-9999 (5) and CD2(69) at -4.33672 21.2728 59.6309 in (null):Y-9999 (9) other bump:3.06992 Ang CA(41) at -6.242 23.226 58.224 in (null):D-9999 (6) and CD2(69) at -4.33672 21.2728 59.6309 in (null):Y-9999 (9) other bump:1.83987 Ang O(38) at -5.847 20.644 58.789 in (null):A-9999 (5) and CD2(69) at -4.33672 21.2728 59.6309 in (null):Y-9999 (9) Number of specific fragments= 1 total=2203 # 1d2eA.239.150 read from T0147_twice.t2k.frag # found chain 1d2eA in template set T0147_twice 239 :IAEFADLMY 1d2eA 205 :EFGYKGEET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2204 # 2bnh.239.239 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 239 :IAEFADLMY 2bnh 239 :IAELCPGLL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.12981 Ang C(39) at 15.13 55.093 34.687 in (null):A-9999 (5) and CE1(70) at 14.0497 57.4276 32.9042 in (null):Y-9999 (9) other bump:2.21239 Ang O(38) at 15.798 55.521 33.755 in (null):A-9999 (5) and CD1(68) at 15.4044 57.6408 33.2589 in (null):Y-9999 (9) other bump:2.23302 Ang CE2(31) at 14.5766 49.5164 31.3267 in (null):F-9999 (4) and CE(61) at 16.4714 49.6804 30.1566 in (null):M-9999 (8) other bump:2.72933 Ang CE1(30) at 16.3248 48.4946 32.6105 in (null):F-9999 (4) and CE(61) at 16.4714 49.6804 30.1566 in (null):M-9999 (8) other bump:1.64979 Ang CZ(32) at 15.7907 48.8646 31.4188 in (null):F-9999 (4) and CE(61) at 16.4714 49.6804 30.1566 in (null):M-9999 (8) Number of specific fragments= 1 total=2205 # 1gt7A.239.239 read from T0147_twice.t2k.frag # found chain 1gt7A in template set T0147_twice 239 :IAEFADLMY 1gt7A 240 :KVYSMGGMK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64295 Ang CA(16) at -35.881 46.038 52.429 in (null):E-9999 (3) and CD2(53) at -37.181 47.1049 50.3901 in (null):L-9999 (7) other bump:2.76547 Ang CB(17) at -35.4708 47.4693 52.5326 in (null):E-9999 (3) and CD2(53) at -37.181 47.1049 50.3901 in (null):L-9999 (7) other bump:2.48079 Ang CG(18) at -36.6812 48.3751 52.4616 in (null):E-9999 (3) and CD2(53) at -37.181 47.1049 50.3901 in (null):L-9999 (7) other bump:2.20854 Ang O(0) at -33.791 45.691 55.984 in (null):G-9999 (0) and CE2(31) at -31.8233 46.6549 56.2608 in (null):F-9999 (4) other bump:2.7013 Ang C(1) at -34.354 46.09 57.018 in (null):G-9999 (0) and CE2(31) at -31.8233 46.6549 56.2608 in (null):F-9999 (4) other bump:1.47931 Ang O(0) at -33.791 45.691 55.984 in (null):G-9999 (0) and CD2(29) at -32.3462 45.4562 55.7699 in (null):F-9999 (4) other bump:2.44757 Ang C(1) at -34.354 46.09 57.018 in (null):G-9999 (0) and CD2(29) at -32.3462 45.4562 55.7699 in (null):F-9999 (4) Number of specific fragments= 1 total=2206 # 1qbqA.240.241 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 240 :AEFADLMYP 1qbqA 286 :DRGLSRYPN Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.072 Ang O(14) at 208.392 93.841 30.445 in (null):E-9999 (2) and CD1(44) at 209.291 91.9978 30.7421 in (null):L-9999 (6) other bump:3.00295 Ang CB(18) at 207.756 93.4646 32.8664 in (null):F-9999 (3) and CD1(44) at 209.291 91.9978 30.7421 in (null):L-9999 (6) other bump:3.00321 Ang CE2(23) at 208.416 91.4965 36.0246 in (null):F-9999 (3) and OD2(37) at 208.485 92.3672 38.898 in (null):D-9999 (5) other bump:2.98153 Ang CE2(23) at 208.416 91.4965 36.0246 in (null):F-9999 (3) and CG(35) at 209.68 92.4501 38.5511 in (null):D-9999 (5) other bump:2.82913 Ang CD2(21) at 208.57 92.0546 34.767 in (null):F-9999 (3) and CB(34) at 210.059 91.9618 37.1706 in (null):D-9999 (5) other bump:2.0562 Ang CE2(23) at 208.416 91.4965 36.0246 in (null):F-9999 (3) and CB(34) at 210.059 91.9618 37.1706 in (null):D-9999 (5) other bump:2.8795 Ang CZ(24) at 207.228 91.6814 36.7269 in (null):F-9999 (3) and CB(34) at 210.059 91.9618 37.1706 in (null):D-9999 (5) other bump:3.19285 Ang CD2(21) at 208.57 92.0546 34.767 in (null):F-9999 (3) and CA(33) at 211.097 92.886 36.532 in (null):D-9999 (5) other bump:3.0618 Ang CE2(23) at 208.416 91.4965 36.0246 in (null):F-9999 (3) and CA(33) at 211.097 92.886 36.532 in (null):D-9999 (5) neighbor-bump: 2.26938 Ang O(5) at 207.215 98.18 27.706 in (null):A-9999 (1) and CG(10) at 208.726 96.6178 27.0538 in (null):E-9999 (2) Number of specific fragments= 1 total=2207 # 1d7oA.240.240 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 240 :AEFADLMYP 1d7oA 251 :IEYSYNNAP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.44394 Ang CB(29) at -5.262 19.717 55.661 in (null):A-9999 (4) and OH(65) at -3.62904 17.9219 55.3713 in (null):Y-9999 (8) other bump:2.43429 Ang CB(29) at -5.262 19.717 55.661 in (null):A-9999 (4) and CZ(64) at -3.63805 18.2402 56.7134 in (null):Y-9999 (8) other bump:2.79506 Ang CA(28) at -6.454 19.828 56.603 in (null):A-9999 (4) and CE2(63) at -3.71159 19.5798 57.0825 in (null):Y-9999 (8) other bump:2.89679 Ang C(31) at -6.217 20.916 57.656 in (null):A-9999 (4) and CE2(63) at -3.71159 19.5798 57.0825 in (null):Y-9999 (8) other bump:2.10791 Ang CB(29) at -5.262 19.717 55.661 in (null):A-9999 (4) and CE2(63) at -3.71159 19.5798 57.0825 in (null):Y-9999 (8) other bump:3.2529 Ang CA(28) at -6.454 19.828 56.603 in (null):A-9999 (4) and CD2(61) at -3.76326 19.9107 58.429 in (null):Y-9999 (8) other bump:2.23816 Ang O(30) at -5.847 20.644 58.789 in (null):A-9999 (4) and CD2(61) at -3.76326 19.9107 58.429 in (null):Y-9999 (8) other bump:2.76209 Ang C(31) at -6.217 20.916 57.656 in (null):A-9999 (4) and CD2(61) at -3.76326 19.9107 58.429 in (null):Y-9999 (8) Number of specific fragments= 1 total=2208 # 1afrA.240.240 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 240 :AEFADLMYP 1afrA 259 :MRKKISMPA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.61622 Ang N(56) at 58.846 31.296 10.075 in (null):Y-9999 (8) and CD(72) at 58.7382 28.9392 11.2057 in (null):P-9999 (9) neighbor-bump: 2.22084 Ang CA(57) at 58.711 30.059 9.288 in (null):Y-9999 (8) and CD(72) at 58.7382 28.9392 11.2057 in (null):P-9999 (9) neighbor-bump: 2.41829 Ang CB(58) at 60.0184 29.2847 9.18332 in (null):Y-9999 (8) and CD(72) at 58.7382 28.9392 11.2057 in (null):P-9999 (9) neighbor-bump: 1.81651 Ang C(67) at 57.657 29.048 9.75 in (null):Y-9999 (8) and CD(72) at 58.7382 28.9392 11.2057 in (null):P-9999 (9) self-bump: 1.27776 Ang N(68) at 57.469 28.92 11.059 in (null):P-9999 (9) and CD(72) at 58.7382 28.9392 11.2057 in (null):P-9999 (9) self-bump: 2.13198 Ang N(68) at 57.469 28.92 11.059 in (null):P-9999 (9) and CG(71) at 58.8801 27.8076 12.2064 in (null):P-9999 (9) Number of specific fragments= 1 total=2209 # 1et0A.240.240 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 240 :AEFADLMYP 1et0A 261 :VMPVCACGD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.59686 Ang CB(58) at -21.0812 11.7666 76.3987 in (null):Y-9999 (8) and CD(72) at -21.7999 12.0882 77.7879 in (null):P-9999 (9) neighbor-bump: 2.07129 Ang CA(57) at -21.042 12.999 76.089 in (null):Y-9999 (8) and CD(72) at -21.7999 12.0882 77.7879 in (null):P-9999 (9) neighbor-bump: 1.68991 Ang C(67) at -22.024 13.602 77.071 in (null):Y-9999 (8) and CD(72) at -21.7999 12.0882 77.7879 in (null):P-9999 (9) self-bump: 1.27793 Ang N(68) at -21.88 13.236 78.344 in (null):P-9999 (9) and CD(72) at -21.7999 12.0882 77.7879 in (null):P-9999 (9) neighbor-bump: 2.87631 Ang CB(58) at -21.0812 11.7666 76.3987 in (null):Y-9999 (8) and CG(71) at -22.6852 11.308 78.7417 in (null):P-9999 (9) self-bump: 2.12688 Ang N(68) at -21.88 13.236 78.344 in (null):P-9999 (9) and CG(71) at -22.6852 11.308 78.7417 in (null):P-9999 (9) self-bump: 2.15238 Ang N(68) at -21.88 13.236 78.344 in (null):P-9999 (9) and CB(70) at -22.6596 12.1113 80.0053 in (null):P-9999 (9) self-bump: 2.17018 Ang CB(58) at -21.0812 11.7666 76.3987 in (null):Y-9999 (8) and C(67) at -22.024 13.602 77.071 in (null):Y-9999 (8) self-bump: 1.27132 Ang CA(57) at -21.042 12.999 76.089 in (null):Y-9999 (8) and CB(58) at -21.0812 11.7666 76.3987 in (null):Y-9999 (8) Number of specific fragments= 1 total=2210 # 2bnh.240.240 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 240 :AEFADLMYP 2bnh 240 :AELCPGLLS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.76884 Ang O(46) at 20.128 54.069 33.025 in (null):L-9999 (6) and CD(72) at 20.522 55.7723 32.756 in (null):P-9999 (9) other bump:2.57621 Ang C(47) at 19.076 53.805 33.578 in (null):L-9999 (6) and CD(72) at 20.522 55.7723 32.756 in (null):P-9999 (9) other bump:2.75744 Ang C(55) at 18.343 55.514 31.086 in (null):M-9999 (7) and CD(72) at 20.522 55.7723 32.756 in (null):P-9999 (9) neighbor-bump: 2.46451 Ang N(56) at 18.274 56.462 32.018 in (null):Y-9999 (8) and CD(72) at 20.522 55.7723 32.756 in (null):P-9999 (9) other bump:2.18796 Ang O(46) at 20.128 54.069 33.025 in (null):L-9999 (6) and CG(71) at 21.6302 55.494 33.7322 in (null):P-9999 (9) other bump:3.06597 Ang C(47) at 19.076 53.805 33.578 in (null):L-9999 (6) and CG(71) at 21.6302 55.494 33.7322 in (null):P-9999 (9) other bump:2.55514 Ang O(30) at 15.798 55.521 33.755 in (null):A-9999 (4) and CD1(60) at 15.3309 57.821 32.7447 in (null):Y-9999 (8) other bump:2.72933 Ang CE1(22) at 16.3248 48.4946 32.6105 in (null):F-9999 (3) and CE(53) at 16.4714 49.6804 30.1566 in (null):M-9999 (7) other bump:2.23302 Ang CE2(23) at 14.5766 49.5164 31.3267 in (null):F-9999 (3) and CE(53) at 16.4714 49.6804 30.1566 in (null):M-9999 (7) other bump:1.64979 Ang CZ(24) at 15.7907 48.8646 31.4188 in (null):F-9999 (3) and CE(53) at 16.4714 49.6804 30.1566 in (null):M-9999 (7) Number of specific fragments= 1 total=2211 # 1d2eA.240.151 read from T0147_twice.t2k.frag # found chain 1d2eA in template set T0147_twice 240 :AEFADLMYP 1d2eA 206 :FGYKGEETP Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.0981 Ang C(31) at 2.041 10.471 48.615 in (null):A-9999 (4) and CE2(63) at 5.01043 10.796 49.4366 in (null):Y-9999 (8) other bump:3.12826 Ang C(26) at 2.861 10.902 51.707 in (null):F-9999 (3) and CE2(63) at 5.01043 10.796 49.4366 in (null):Y-9999 (8) other bump:2.19873 Ang N(27) at 3.203 11.406 50.53 in (null):A-9999 (4) and CE2(63) at 5.01043 10.796 49.4366 in (null):Y-9999 (8) other bump:2.95224 Ang CA(28) at 2.197 11.687 49.517 in (null):A-9999 (4) and CE2(63) at 5.01043 10.796 49.4366 in (null):Y-9999 (8) other bump:3.09211 Ang CB(18) at 4.798 9.417 52.196 in (null):F-9999 (3) and CE2(63) at 5.01043 10.796 49.4366 in (null):Y-9999 (8) other bump:2.40673 Ang O(30) at 2.634 10.395 47.54 in (null):A-9999 (4) and CD2(61) at 4.75298 9.79257 48.5092 in (null):Y-9999 (8) other bump:2.79755 Ang C(31) at 2.041 10.471 48.615 in (null):A-9999 (4) and CD2(61) at 4.75298 9.79257 48.5092 in (null):Y-9999 (8) Number of specific fragments= 1 total=2212 # 1qbqA.241.242 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 241 :EFADLMYPV 1qbqA 287 :RGLSRYPNL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.072 Ang O(9) at 208.392 93.841 30.445 in (null):E-9999 (1) and CD1(39) at 209.291 91.9978 30.7421 in (null):L-9999 (5) other bump:3.00294 Ang CB(13) at 207.756 93.4646 32.8664 in (null):F-9999 (2) and CD1(39) at 209.291 91.9978 30.7421 in (null):L-9999 (5) other bump:3.00322 Ang CE2(18) at 208.416 91.4965 36.0246 in (null):F-9999 (2) and OD2(32) at 208.485 92.3672 38.898 in (null):D-9999 (4) other bump:2.98153 Ang CE2(18) at 208.416 91.4965 36.0246 in (null):F-9999 (2) and CG(30) at 209.68 92.4501 38.5511 in (null):D-9999 (4) other bump:2.82914 Ang CD2(16) at 208.57 92.0546 34.767 in (null):F-9999 (2) and CB(29) at 210.059 91.9618 37.1706 in (null):D-9999 (4) other bump:2.05619 Ang CE2(18) at 208.416 91.4965 36.0246 in (null):F-9999 (2) and CB(29) at 210.059 91.9618 37.1706 in (null):D-9999 (4) other bump:2.8795 Ang CZ(19) at 207.228 91.6814 36.7269 in (null):F-9999 (2) and CB(29) at 210.059 91.9618 37.1706 in (null):D-9999 (4) other bump:3.19286 Ang CD2(16) at 208.57 92.0546 34.767 in (null):F-9999 (2) and CA(28) at 211.097 92.886 36.532 in (null):D-9999 (4) other bump:3.06179 Ang CE2(18) at 208.416 91.4965 36.0246 in (null):F-9999 (2) and CA(28) at 211.097 92.886 36.532 in (null):D-9999 (4) neighbor-bump: 2.26936 Ang O(0) at 207.215 98.18 27.706 in (null):G-9999 (0) and CG(5) at 208.726 96.6178 27.0538 in (null):E-9999 (1) Number of specific fragments= 1 total=2213 # 1et0A.241.241 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 241 :EFADLMYPV 1et0A 262 :MPVCACGDV Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.59685 Ang CB(53) at -21.0812 11.7666 76.3987 in (null):Y-9999 (7) and CD(67) at -21.7998 12.0882 77.7879 in (null):P-9999 (8) neighbor-bump: 2.07127 Ang CA(52) at -21.042 12.999 76.089 in (null):Y-9999 (7) and CD(67) at -21.7998 12.0882 77.7879 in (null):P-9999 (8) neighbor-bump: 1.68991 Ang C(62) at -22.024 13.602 77.071 in (null):Y-9999 (7) and CD(67) at -21.7998 12.0882 77.7879 in (null):P-9999 (8) self-bump: 1.27793 Ang N(63) at -21.88 13.236 78.344 in (null):P-9999 (8) and CD(67) at -21.7998 12.0882 77.7879 in (null):P-9999 (8) neighbor-bump: 2.8763 Ang CB(53) at -21.0812 11.7666 76.3987 in (null):Y-9999 (7) and CG(66) at -22.6852 11.308 78.7417 in (null):P-9999 (8) self-bump: 2.12688 Ang N(63) at -21.88 13.236 78.344 in (null):P-9999 (8) and CG(66) at -22.6852 11.308 78.7417 in (null):P-9999 (8) self-bump: 2.15237 Ang N(63) at -21.88 13.236 78.344 in (null):P-9999 (8) and CB(65) at -22.6596 12.1113 80.0053 in (null):P-9999 (8) self-bump: 2.17018 Ang CB(53) at -21.0812 11.7666 76.3987 in (null):Y-9999 (7) and C(62) at -22.024 13.602 77.071 in (null):Y-9999 (7) self-bump: 1.27132 Ang CA(52) at -21.042 12.999 76.089 in (null):Y-9999 (7) and CB(53) at -21.0812 11.7666 76.3987 in (null):Y-9999 (7) Number of specific fragments= 1 total=2214 # 1d7oA.241.241 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 241 :EFADLMYPV 1d7oA 252 :EYSYNNAPI Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.44394 Ang CB(24) at -5.262 19.717 55.661 in (null):A-9999 (3) and OH(60) at -3.62904 17.9219 55.3713 in (null):Y-9999 (7) other bump:2.43429 Ang CB(24) at -5.262 19.717 55.661 in (null):A-9999 (3) and CZ(59) at -3.63805 18.2402 56.7134 in (null):Y-9999 (7) other bump:2.79506 Ang CA(23) at -6.454 19.828 56.603 in (null):A-9999 (3) and CE2(58) at -3.71159 19.5798 57.0825 in (null):Y-9999 (7) other bump:2.10791 Ang CB(24) at -5.262 19.717 55.661 in (null):A-9999 (3) and CE2(58) at -3.71159 19.5798 57.0825 in (null):Y-9999 (7) other bump:2.89679 Ang C(26) at -6.217 20.916 57.656 in (null):A-9999 (3) and CE2(58) at -3.71159 19.5798 57.0825 in (null):Y-9999 (7) other bump:3.2529 Ang CA(23) at -6.454 19.828 56.603 in (null):A-9999 (3) and CD2(56) at -3.76326 19.9107 58.429 in (null):Y-9999 (7) other bump:2.23816 Ang O(25) at -5.847 20.644 58.789 in (null):A-9999 (3) and CD2(56) at -3.76326 19.9107 58.429 in (null):Y-9999 (7) other bump:2.76209 Ang C(26) at -6.217 20.916 57.656 in (null):A-9999 (3) and CD2(56) at -3.76326 19.9107 58.429 in (null):Y-9999 (7) Number of specific fragments= 1 total=2215 # 2bnh.241.241 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 241 :EFADLMYPV 2bnh 241 :ELCPGLLSP Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81553 Ang C(50) at 18.343 55.514 31.086 in (null):M-9999 (6) and CD(67) at 20.6037 55.7378 32.7492 in (null):P-9999 (8) neighbor-bump: 2.54689 Ang N(51) at 18.274 56.462 32.018 in (null):Y-9999 (7) and CD(67) at 20.6037 55.7378 32.7492 in (null):P-9999 (8) other bump:1.7571 Ang O(41) at 20.128 54.069 33.025 in (null):L-9999 (5) and CD(67) at 20.6037 55.7378 32.7492 in (null):P-9999 (8) other bump:2.59936 Ang C(42) at 19.076 53.805 33.578 in (null):L-9999 (5) and CD(67) at 20.6037 55.7378 32.7492 in (null):P-9999 (8) other bump:2.29825 Ang O(41) at 20.128 54.069 33.025 in (null):L-9999 (5) and CG(66) at 21.6711 55.5663 33.8367 in (null):P-9999 (8) other bump:3.14702 Ang C(42) at 19.076 53.805 33.578 in (null):L-9999 (5) and CG(66) at 21.6711 55.5663 33.8367 in (null):P-9999 (8) other bump:2.55514 Ang O(25) at 15.798 55.521 33.755 in (null):A-9999 (3) and CD1(55) at 15.3309 57.821 32.7447 in (null):Y-9999 (7) other bump:2.23302 Ang CE2(18) at 14.5766 49.5164 31.3267 in (null):F-9999 (2) and CE(48) at 16.4714 49.6804 30.1566 in (null):M-9999 (6) other bump:1.64979 Ang CZ(19) at 15.7907 48.8646 31.4188 in (null):F-9999 (2) and CE(48) at 16.4714 49.6804 30.1566 in (null):M-9999 (6) other bump:2.72933 Ang CE1(17) at 16.3248 48.4946 32.6105 in (null):F-9999 (2) and CE(48) at 16.4714 49.6804 30.1566 in (null):M-9999 (6) Number of specific fragments= 1 total=2216 # 1d2eA.241.152 read from T0147_twice.t2k.frag # found chain 1d2eA in template set T0147_twice 241 :EFADLMYPV 1d2eA 207 :GYKGEETPI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.12826 Ang C(21) at 2.861 10.902 51.707 in (null):F-9999 (2) and CE2(58) at 5.01043 10.796 49.4366 in (null):Y-9999 (7) other bump:2.19873 Ang N(22) at 3.203 11.406 50.53 in (null):A-9999 (3) and CE2(58) at 5.01043 10.796 49.4366 in (null):Y-9999 (7) other bump:2.95224 Ang CA(23) at 2.197 11.687 49.517 in (null):A-9999 (3) and CE2(58) at 5.01043 10.796 49.4366 in (null):Y-9999 (7) other bump:3.0981 Ang C(26) at 2.041 10.471 48.615 in (null):A-9999 (3) and CE2(58) at 5.01043 10.796 49.4366 in (null):Y-9999 (7) other bump:3.09211 Ang CB(13) at 4.798 9.417 52.196 in (null):F-9999 (2) and CE2(58) at 5.01043 10.796 49.4366 in (null):Y-9999 (7) other bump:2.40673 Ang O(25) at 2.634 10.395 47.54 in (null):A-9999 (3) and CD2(56) at 4.75298 9.79257 48.5092 in (null):Y-9999 (7) other bump:2.79755 Ang C(26) at 2.041 10.471 48.615 in (null):A-9999 (3) and CD2(56) at 4.75298 9.79257 48.5092 in (null):Y-9999 (7) Number of specific fragments= 1 total=2217 # 1ej6D.241.241 read from T0147_twice.t2k.frag # adding 1ej6D to template set 1ej6D:# found chain 1ej6D in template set T0147_twice 241 :EFADLMYPV 1ej6D 242 :NRRGDAAEV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94225 Ang CB(13) at 134.698 121.026 230.025 in (null):F-9999 (2) and CD1(39) at 135.364 119.6 232.511 in (null):L-9999 (5) neighbor-bump: 2.69647 Ang C(26) at 130.656 117.878 229.691 in (null):A-9999 (3) and CB(29) at 131.33 115.389 228.901 in (null):D-9999 (4) neighbor-bump: 2.47666 Ang O(9) at 133.359 123.273 228.493 in (null):E-9999 (1) and CD1(15) at 135.644 122.383 228.147 in (null):F-9999 (2) Number of specific fragments= 1 total=2218 # 1qbqA.242.243 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 242 :FADLMYPVD 1qbqA 288 :GLSRYPNLL Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.31418 Ang CE2(9) at 209.922 90.9269 32.2465 in (null):F-9999 (1) and CD2(31) at 210.621 90.0525 31.558 in (null):L-9999 (4) other bump:1.34247 Ang CZ(10) at 209.765 90.8217 30.8673 in (null):F-9999 (1) and CD2(31) at 210.621 90.0525 31.558 in (null):L-9999 (4) other bump:2.072 Ang O(0) at 208.392 93.841 30.445 in (null):G-9999 (0) and CD1(30) at 209.291 91.9978 30.7421 in (null):L-9999 (4) other bump:2.02287 Ang CG(5) at 208.205 92.6356 32.3253 in (null):F-9999 (1) and CD1(30) at 209.291 91.9978 30.7421 in (null):L-9999 (4) other bump:1.35863 Ang CD1(6) at 208.053 92.5191 30.9454 in (null):F-9999 (1) and CD1(30) at 209.291 91.9978 30.7421 in (null):L-9999 (4) other bump:2.23868 Ang CD2(7) at 209.141 91.8336 32.9698 in (null):F-9999 (1) and CD1(30) at 209.291 91.9978 30.7421 in (null):L-9999 (4) other bump:0.798751 Ang CE1(8) at 208.83 91.6136 30.2151 in (null):F-9999 (1) and CD1(30) at 209.291 91.9978 30.7421 in (null):L-9999 (4) other bump:1.95165 Ang CE2(9) at 209.922 90.9269 32.2465 in (null):F-9999 (1) and CD1(30) at 209.291 91.9978 30.7421 in (null):L-9999 (4) other bump:1.27427 Ang CZ(10) at 209.765 90.8217 30.8673 in (null):F-9999 (1) and CD1(30) at 209.291 91.9978 30.7421 in (null):L-9999 (4) other bump:2.37398 Ang CG(5) at 208.205 92.6356 32.3253 in (null):F-9999 (1) and CG(29) at 210.228 91.5015 31.8203 in (null):L-9999 (4) other bump:2.55642 Ang CD1(6) at 208.053 92.5191 30.9454 in (null):F-9999 (1) and CG(29) at 210.228 91.5015 31.8203 in (null):L-9999 (4) other bump:1.61648 Ang CD2(7) at 209.141 91.8336 32.9698 in (null):F-9999 (1) and CG(29) at 210.228 91.5015 31.8203 in (null):L-9999 (4) other bump:2.13217 Ang CE1(8) at 208.83 91.6136 30.2151 in (null):F-9999 (1) and CG(29) at 210.228 91.5015 31.8203 in (null):L-9999 (4) other bump:0.778085 Ang CE2(9) at 209.922 90.9269 32.2465 in (null):F-9999 (1) and CG(29) at 210.228 91.5015 31.8203 in (null):L-9999 (4) other bump:1.25913 Ang CZ(10) at 209.765 90.8217 30.8673 in (null):F-9999 (1) and CG(29) at 210.228 91.5015 31.8203 in (null):L-9999 (4) other bump:2.65098 Ang CD2(7) at 209.141 91.8336 32.9698 in (null):F-9999 (1) and CB(28) at 211.489 92.3719 31.8616 in (null):L-9999 (4) other bump:2.16563 Ang CE2(9) at 209.922 90.9269 32.2465 in (null):F-9999 (1) and CB(28) at 211.489 92.3719 31.8616 in (null):L-9999 (4) other bump:2.52275 Ang CZ(10) at 209.765 90.8217 30.8673 in (null):F-9999 (1) and CB(28) at 211.489 92.3719 31.8616 in (null):L-9999 (4) other bump:2.88908 Ang CE2(9) at 209.922 90.9269 32.2465 in (null):F-9999 (1) and CA(27) at 212.489 91.952 33.088 in (null):L-9999 (4) other bump:2.97972 Ang CD2(7) at 209.141 91.8336 32.9698 in (null):F-9999 (1) and N(26) at 211.756 92.586 34.185 in (null):L-9999 (4) other bump:3.14208 Ang CE2(9) at 209.922 90.9269 32.2465 in (null):F-9999 (1) and N(26) at 211.756 92.586 34.185 in (null):L-9999 (4) neighbor-bump: 2.2816 Ang O(0) at 208.392 93.841 30.445 in (null):G-9999 (0) and CE1(8) at 208.83 91.6136 30.2151 in (null):F-9999 (1) neighbor-bump: 1.45359 Ang O(0) at 208.392 93.841 30.445 in (null):G-9999 (0) and CD1(6) at 208.053 92.5191 30.9454 in (null):F-9999 (1) neighbor-bump: 2.52277 Ang C(1) at 208.027 95.006 30.522 in (null):G-9999 (0) and CD1(6) at 208.053 92.5191 30.9454 in (null):F-9999 (1) neighbor-bump: 2.24132 Ang O(0) at 208.392 93.841 30.445 in (null):G-9999 (0) and CG(5) at 208.205 92.6356 32.3253 in (null):F-9999 (1) Number of specific fragments= 1 total=2219 # 1et0A.242.242 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 242 :FADLMYPVD 1et0A 263 :PVCACGDVS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.68991 Ang C(53) at -22.024 13.602 77.071 in (null):Y-9999 (6) and CD(58) at -21.7998 12.0882 77.7879 in (null):P-9999 (7) self-bump: 1.27793 Ang N(54) at -21.88 13.236 78.344 in (null):P-9999 (7) and CD(58) at -21.7998 12.0882 77.7879 in (null):P-9999 (7) neighbor-bump: 1.59685 Ang CB(44) at -21.0812 11.7666 76.3987 in (null):Y-9999 (6) and CD(58) at -21.7998 12.0882 77.7879 in (null):P-9999 (7) neighbor-bump: 2.07127 Ang CA(43) at -21.042 12.999 76.089 in (null):Y-9999 (6) and CD(58) at -21.7998 12.0882 77.7879 in (null):P-9999 (7) self-bump: 2.12688 Ang N(54) at -21.88 13.236 78.344 in (null):P-9999 (7) and CG(57) at -22.6852 11.308 78.7417 in (null):P-9999 (7) neighbor-bump: 2.8763 Ang CB(44) at -21.0812 11.7666 76.3987 in (null):Y-9999 (6) and CG(57) at -22.6852 11.308 78.7417 in (null):P-9999 (7) self-bump: 2.15237 Ang N(54) at -21.88 13.236 78.344 in (null):P-9999 (7) and CB(56) at -22.6596 12.1113 80.0053 in (null):P-9999 (7) self-bump: 2.17018 Ang CB(44) at -21.0812 11.7666 76.3987 in (null):Y-9999 (6) and C(53) at -22.024 13.602 77.071 in (null):Y-9999 (6) self-bump: 1.27132 Ang CA(43) at -21.042 12.999 76.089 in (null):Y-9999 (6) and CB(44) at -21.0812 11.7666 76.3987 in (null):Y-9999 (6) Number of specific fragments= 1 total=2220 # 1d7oA.242.242 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 242 :FADLMYPVD 1d7oA 253 :YSYNNAPIQ Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41046 Ang OD2(23) at -4.95543 25.8504 59.0278 in (null):D-9999 (3) and OD1(72) at -5.44728 25.6453 61.3786 in (null):D-9999 (9) other bump:2.44394 Ang CB(15) at -5.262 19.717 55.661 in (null):A-9999 (2) and OH(51) at -3.62904 17.9219 55.3713 in (null):Y-9999 (6) other bump:2.43429 Ang CB(15) at -5.262 19.717 55.661 in (null):A-9999 (2) and CZ(50) at -3.63805 18.2402 56.7134 in (null):Y-9999 (6) other bump:2.79506 Ang CA(14) at -6.454 19.828 56.603 in (null):A-9999 (2) and CE2(49) at -3.71159 19.5798 57.0825 in (null):Y-9999 (6) other bump:2.10791 Ang CB(15) at -5.262 19.717 55.661 in (null):A-9999 (2) and CE2(49) at -3.71159 19.5798 57.0825 in (null):Y-9999 (6) other bump:2.89679 Ang C(17) at -6.217 20.916 57.656 in (null):A-9999 (2) and CE2(49) at -3.71159 19.5798 57.0825 in (null):Y-9999 (6) other bump:3.2529 Ang CA(14) at -6.454 19.828 56.603 in (null):A-9999 (2) and CD2(47) at -3.76326 19.9107 58.429 in (null):Y-9999 (6) other bump:2.76209 Ang C(17) at -6.217 20.916 57.656 in (null):A-9999 (2) and CD2(47) at -3.76326 19.9107 58.429 in (null):Y-9999 (6) other bump:2.23816 Ang O(16) at -5.847 20.644 58.789 in (null):A-9999 (2) and CD2(47) at -3.76326 19.9107 58.429 in (null):Y-9999 (6) Number of specific fragments= 1 total=2221 # 2bnh.242.242 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 242 :FADLMYPVD 2bnh 242 :LCPGLLSPA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81553 Ang C(41) at 18.343 55.514 31.086 in (null):M-9999 (5) and CD(58) at 20.6037 55.7378 32.7492 in (null):P-9999 (7) neighbor-bump: 2.54689 Ang N(42) at 18.274 56.462 32.018 in (null):Y-9999 (6) and CD(58) at 20.6037 55.7378 32.7492 in (null):P-9999 (7) other bump:1.7571 Ang O(32) at 20.128 54.069 33.025 in (null):L-9999 (4) and CD(58) at 20.6037 55.7378 32.7492 in (null):P-9999 (7) other bump:2.59936 Ang C(33) at 19.076 53.805 33.578 in (null):L-9999 (4) and CD(58) at 20.6037 55.7378 32.7492 in (null):P-9999 (7) other bump:2.29825 Ang O(32) at 20.128 54.069 33.025 in (null):L-9999 (4) and CG(57) at 21.6711 55.5663 33.8367 in (null):P-9999 (7) other bump:3.14702 Ang C(33) at 19.076 53.805 33.578 in (null):L-9999 (4) and CG(57) at 21.6711 55.5663 33.8367 in (null):P-9999 (7) other bump:2.55514 Ang O(16) at 15.798 55.521 33.755 in (null):A-9999 (2) and CD1(46) at 15.3309 57.821 32.7447 in (null):Y-9999 (6) other bump:2.85448 Ang CE2(9) at 14.6326 48.1583 31.7219 in (null):F-9999 (1) and CE(39) at 16.4714 49.6804 30.1566 in (null):M-9999 (5) other bump:2.57848 Ang CZ(10) at 15.9857 47.8992 31.9567 in (null):F-9999 (1) and CE(39) at 16.4714 49.6804 30.1566 in (null):M-9999 (5) Number of specific fragments= 1 total=2222 # 1ej6D.242.242 read from T0147_twice.t2k.frag # found chain 1ej6D in template set T0147_twice 242 :FADLMYPVD 1ej6D 243 :RRGDAAEVW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94224 Ang CB(4) at 134.698 121.026 230.025 in (null):F-9999 (1) and CD1(30) at 135.364 119.6 232.511 in (null):L-9999 (4) neighbor-bump: 2.69647 Ang C(17) at 130.656 117.878 229.691 in (null):A-9999 (2) and CB(20) at 131.33 115.389 228.901 in (null):D-9999 (3) neighbor-bump: 2.47666 Ang O(0) at 133.359 123.273 228.493 in (null):G-9999 (0) and CD1(6) at 135.644 122.383 228.147 in (null):F-9999 (1) Number of specific fragments= 1 total=2223 # 1jc9A.242.247 read from T0147_twice.t2k.frag # adding 1jc9A to template set 1jc9A:# found chain 1jc9A in template set T0147_twice 242 :FADLMYPVD 1jc9A 248 :YHYSLPQVE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2224 # 1qbqA.243.244 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 243 :ADLMYPVDL 1qbqA 289 :LSRYPNLLN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2225 # 1jc9A.243.248 read from T0147_twice.t2k.frag # found chain 1jc9A in template set T0147_twice 243 :ADLMYPVDL 1jc9A 249 :HYSLPQVEM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2226 # 1et0A.243.243 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 243 :ADLMYPVDL 1et0A 264 :VCACGDVSF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80181 Ang CD1(19) at -22.6116 17.3323 76.4139 in (null):L-9999 (3) and OD1(61) at -24.3935 19.316 77.2738 in (null):D-9999 (8) neighbor-bump: 1.68991 Ang C(42) at -22.024 13.602 77.071 in (null):Y-9999 (5) and CD(47) at -21.7998 12.0882 77.7879 in (null):P-9999 (6) self-bump: 1.27793 Ang N(43) at -21.88 13.236 78.344 in (null):P-9999 (6) and CD(47) at -21.7998 12.0882 77.7879 in (null):P-9999 (6) neighbor-bump: 2.07127 Ang CA(32) at -21.042 12.999 76.089 in (null):Y-9999 (5) and CD(47) at -21.7998 12.0882 77.7879 in (null):P-9999 (6) neighbor-bump: 1.59685 Ang CB(33) at -21.0812 11.7666 76.3987 in (null):Y-9999 (5) and CD(47) at -21.7998 12.0882 77.7879 in (null):P-9999 (6) self-bump: 2.12688 Ang N(43) at -21.88 13.236 78.344 in (null):P-9999 (6) and CG(46) at -22.6852 11.308 78.7417 in (null):P-9999 (6) neighbor-bump: 2.8763 Ang CB(33) at -21.0812 11.7666 76.3987 in (null):Y-9999 (5) and CG(46) at -22.6852 11.308 78.7417 in (null):P-9999 (6) self-bump: 2.15237 Ang N(43) at -21.88 13.236 78.344 in (null):P-9999 (6) and CB(45) at -22.6596 12.1113 80.0053 in (null):P-9999 (6) self-bump: 2.17018 Ang CB(33) at -21.0812 11.7666 76.3987 in (null):Y-9999 (5) and C(42) at -22.024 13.602 77.071 in (null):Y-9999 (5) self-bump: 1.27132 Ang CA(32) at -21.042 12.999 76.089 in (null):Y-9999 (5) and CB(33) at -21.0812 11.7666 76.3987 in (null):Y-9999 (5) Number of specific fragments= 1 total=2227 # 1ej6D.243.243 read from T0147_twice.t2k.frag # found chain 1ej6D in template set T0147_twice 243 :ADLMYPVDL 1ej6D 244 :RGDAAEVWI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.69647 Ang C(6) at 130.656 117.878 229.691 in (null):A-9999 (1) and CB(9) at 131.33 115.389 228.901 in (null):D-9999 (2) Number of specific fragments= 1 total=2228 # 2bnh.243.243 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 243 :ADLMYPVDL 2bnh 243 :CPGLLSPAS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.22129 Ang O(21) at 20.128 54.069 33.025 in (null):L-9999 (3) and CD1(69) at 21.4275 52.6765 31.8821 in (null):L-9999 (9) other bump:2.7321 Ang CB(45) at 22.8937 56.2711 33.2807 in (null):P-9999 (6) and OD1(61) at 25.5091 55.7979 32.6483 in (null):D-9999 (8) other bump:2.81553 Ang C(30) at 18.343 55.514 31.086 in (null):M-9999 (4) and CD(47) at 20.6037 55.7378 32.7492 in (null):P-9999 (6) neighbor-bump: 2.54689 Ang N(31) at 18.274 56.462 32.018 in (null):Y-9999 (5) and CD(47) at 20.6037 55.7378 32.7492 in (null):P-9999 (6) other bump:2.59936 Ang C(22) at 19.076 53.805 33.578 in (null):L-9999 (3) and CD(47) at 20.6037 55.7378 32.7492 in (null):P-9999 (6) other bump:1.7571 Ang O(21) at 20.128 54.069 33.025 in (null):L-9999 (3) and CD(47) at 20.6037 55.7378 32.7492 in (null):P-9999 (6) other bump:3.14702 Ang C(22) at 19.076 53.805 33.578 in (null):L-9999 (3) and CG(46) at 21.6711 55.5663 33.8367 in (null):P-9999 (6) other bump:2.29825 Ang O(21) at 20.128 54.069 33.025 in (null):L-9999 (3) and CG(46) at 21.6711 55.5663 33.8367 in (null):P-9999 (6) other bump:2.55514 Ang O(5) at 15.798 55.521 33.755 in (null):A-9999 (1) and CD1(35) at 15.3309 57.821 32.7447 in (null):Y-9999 (5) Number of specific fragments= 1 total=2229 # 1d7oA.243.243 read from T0147_twice.t2k.frag # found chain 1d7oA in template set T0147_twice 243 :ADLMYPVDL 1d7oA 254 :SYNNAPIQK Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.44394 Ang CB(4) at -5.262 19.717 55.661 in (null):A-9999 (1) and OH(40) at -3.62904 17.9219 55.3713 in (null):Y-9999 (5) other bump:2.43429 Ang CB(4) at -5.262 19.717 55.661 in (null):A-9999 (1) and CZ(39) at -3.63805 18.2402 56.7134 in (null):Y-9999 (5) other bump:2.79506 Ang CA(3) at -6.454 19.828 56.603 in (null):A-9999 (1) and CE2(38) at -3.71159 19.5798 57.0825 in (null):Y-9999 (5) other bump:2.89679 Ang C(6) at -6.217 20.916 57.656 in (null):A-9999 (1) and CE2(38) at -3.71159 19.5798 57.0825 in (null):Y-9999 (5) other bump:2.10791 Ang CB(4) at -5.262 19.717 55.661 in (null):A-9999 (1) and CE2(38) at -3.71159 19.5798 57.0825 in (null):Y-9999 (5) other bump:3.2529 Ang CA(3) at -6.454 19.828 56.603 in (null):A-9999 (1) and CD2(36) at -3.76326 19.9107 58.429 in (null):Y-9999 (5) other bump:2.23816 Ang O(5) at -5.847 20.644 58.789 in (null):A-9999 (1) and CD2(36) at -3.76326 19.9107 58.429 in (null):Y-9999 (5) other bump:2.76209 Ang C(6) at -6.217 20.916 57.656 in (null):A-9999 (1) and CD2(36) at -3.76326 19.9107 58.429 in (null):Y-9999 (5) Number of specific fragments= 1 total=2230 # 1qbqA.244.245 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 244 :DLMYPVDLH 1qbqA 290 :SRYPNLLNQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2231 # 1jc9A.244.249 read from T0147_twice.t2k.frag # found chain 1jc9A in template set T0147_twice 244 :DLMYPVDLH 1jc9A 250 :YSLPQVEMK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2232 # 1et0A.244.244 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 244 :DLMYPVDLH 1et0A 265 :CACGDVSFS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80181 Ang CD1(14) at -22.6116 17.3323 76.4139 in (null):L-9999 (2) and OD1(56) at -24.3935 19.316 77.2738 in (null):D-9999 (7) neighbor-bump: 1.68991 Ang C(37) at -22.024 13.602 77.071 in (null):Y-9999 (4) and CD(42) at -21.7998 12.0882 77.7879 in (null):P-9999 (5) self-bump: 1.27793 Ang N(38) at -21.88 13.236 78.344 in (null):P-9999 (5) and CD(42) at -21.7998 12.0882 77.7879 in (null):P-9999 (5) neighbor-bump: 1.59685 Ang CB(28) at -21.0812 11.7666 76.3987 in (null):Y-9999 (4) and CD(42) at -21.7998 12.0882 77.7879 in (null):P-9999 (5) neighbor-bump: 2.07127 Ang CA(27) at -21.042 12.999 76.089 in (null):Y-9999 (4) and CD(42) at -21.7998 12.0882 77.7879 in (null):P-9999 (5) self-bump: 2.12688 Ang N(38) at -21.88 13.236 78.344 in (null):P-9999 (5) and CG(41) at -22.6852 11.308 78.7417 in (null):P-9999 (5) neighbor-bump: 2.8763 Ang CB(28) at -21.0812 11.7666 76.3987 in (null):Y-9999 (4) and CG(41) at -22.6852 11.308 78.7417 in (null):P-9999 (5) self-bump: 2.15237 Ang N(38) at -21.88 13.236 78.344 in (null):P-9999 (5) and CB(40) at -22.6596 12.1113 80.0053 in (null):P-9999 (5) self-bump: 2.17018 Ang CB(28) at -21.0812 11.7666 76.3987 in (null):Y-9999 (4) and C(37) at -22.024 13.602 77.071 in (null):Y-9999 (4) self-bump: 1.27132 Ang CA(27) at -21.042 12.999 76.089 in (null):Y-9999 (4) and CB(28) at -21.0812 11.7666 76.3987 in (null):Y-9999 (4) Number of specific fragments= 1 total=2233 # 2bnh.244.244 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 244 :DLMYPVDLH 2bnh 244 :PGLLSPASR Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.95434 Ang CA(19) at 17.964 54.075 31.477 in (null):M-9999 (3) and CD1(64) at 20.9041 53.9559 31.7414 in (null):L-9999 (8) other bump:2.59569 Ang C(17) at 19.076 53.805 33.578 in (null):L-9999 (2) and CD1(64) at 20.9041 53.9559 31.7414 in (null):L-9999 (8) other bump:1.50421 Ang O(16) at 20.128 54.069 33.025 in (null):L-9999 (2) and CD1(64) at 20.9041 53.9559 31.7414 in (null):L-9999 (8) other bump:2.0691 Ang CD(42) at 20.6037 55.7378 32.7492 in (null):P-9999 (5) and CD1(64) at 20.9041 53.9559 31.7414 in (null):L-9999 (8) other bump:2.7321 Ang CB(40) at 22.8937 56.2711 33.2807 in (null):P-9999 (5) and OD1(56) at 25.5091 55.7979 32.6483 in (null):D-9999 (7) other bump:2.81553 Ang C(25) at 18.343 55.514 31.086 in (null):M-9999 (3) and CD(42) at 20.6037 55.7378 32.7492 in (null):P-9999 (5) other bump:2.59936 Ang C(17) at 19.076 53.805 33.578 in (null):L-9999 (2) and CD(42) at 20.6037 55.7378 32.7492 in (null):P-9999 (5) neighbor-bump: 2.54689 Ang N(26) at 18.274 56.462 32.018 in (null):Y-9999 (4) and CD(42) at 20.6037 55.7378 32.7492 in (null):P-9999 (5) other bump:1.7571 Ang O(16) at 20.128 54.069 33.025 in (null):L-9999 (2) and CD(42) at 20.6037 55.7378 32.7492 in (null):P-9999 (5) other bump:3.14702 Ang C(17) at 19.076 53.805 33.578 in (null):L-9999 (2) and CG(41) at 21.6711 55.5663 33.8367 in (null):P-9999 (5) other bump:2.29825 Ang O(16) at 20.128 54.069 33.025 in (null):L-9999 (2) and CG(41) at 21.6711 55.5663 33.8367 in (null):P-9999 (5) other bump:2.55514 Ang O(0) at 15.798 55.521 33.755 in (null):G-9999 (0) and CD1(30) at 15.3309 57.821 32.7447 in (null):Y-9999 (4) Number of specific fragments= 1 total=2234 # 1ej6D.244.244 read from T0147_twice.t2k.frag # found chain 1ej6D in template set T0147_twice 244 :DLMYPVDLH 1ej6D 245 :GDAAEVWIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2235 # 1fnf.244.244 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 244 :DLMYPVDLH 1fnf 1386 :NLTPGTEYV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.74521 Ang C(37) at 19.839 18.253 -29.839 in (null):Y-9999 (4) and CD(42) at 18.7353 17.9401 -31.1541 in (null):P-9999 (5) self-bump: 1.29295 Ang N(38) at 19.318 17.131 -30.331 in (null):P-9999 (5) and CD(42) at 18.7353 17.9401 -31.1541 in (null):P-9999 (5) neighbor-bump: 2.09687 Ang CA(27) at 18.855 19.393 -29.647 in (null):Y-9999 (4) and CD(42) at 18.7353 17.9401 -31.1541 in (null):P-9999 (5) neighbor-bump: 2.28347 Ang CB(28) at 18.8764 20.2136 -30.9951 in (null):Y-9999 (4) and CD(42) at 18.7353 17.9401 -31.1541 in (null):P-9999 (5) neighbor-bump: 2.76104 Ang C(37) at 19.839 18.253 -29.839 in (null):Y-9999 (4) and CG(41) at 19.375 17.4479 -32.439 in (null):P-9999 (5) self-bump: 2.13241 Ang N(38) at 19.318 17.131 -30.331 in (null):P-9999 (5) and CG(41) at 19.375 17.4479 -32.439 in (null):P-9999 (5) self-bump: 2.14448 Ang N(38) at 19.318 17.131 -30.331 in (null):P-9999 (5) and CB(40) at 20.633 16.7731 -31.9867 in (null):P-9999 (5) Number of specific fragments= 1 total=2236 # 1qbqA.245.246 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 245 :LMYPVDLHM 1qbqA 291 :RYPNLLNQL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.14166 Ang CG1(40) at 215.369 98.9014 38.1112 in (null):V-9999 (5) and SD(74) at 214.835 101.1 40.2912 in (null):M-9999 (9) Number of specific fragments= 1 total=2237 # 1jc9A.245.250 read from T0147_twice.t2k.frag # found chain 1jc9A in template set T0147_twice 245 :LMYPVDLHM 1jc9A 251 :SLPQVEMKI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2238 # 1et0A.245.245 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 245 :LMYPVDLHM 1et0A 266 :ACGDVSFSS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.68991 Ang C(29) at -22.024 13.602 77.071 in (null):Y-9999 (3) and CD(34) at -21.7998 12.0882 77.7879 in (null):P-9999 (4) self-bump: 1.27793 Ang N(30) at -21.88 13.236 78.344 in (null):P-9999 (4) and CD(34) at -21.7998 12.0882 77.7879 in (null):P-9999 (4) neighbor-bump: 1.59685 Ang CB(20) at -21.0812 11.7666 76.3987 in (null):Y-9999 (3) and CD(34) at -21.7998 12.0882 77.7879 in (null):P-9999 (4) neighbor-bump: 2.07127 Ang CA(19) at -21.042 12.999 76.089 in (null):Y-9999 (3) and CD(34) at -21.7998 12.0882 77.7879 in (null):P-9999 (4) self-bump: 2.12688 Ang N(30) at -21.88 13.236 78.344 in (null):P-9999 (4) and CG(33) at -22.6852 11.308 78.7417 in (null):P-9999 (4) neighbor-bump: 2.8763 Ang CB(20) at -21.0812 11.7666 76.3987 in (null):Y-9999 (3) and CG(33) at -22.6852 11.308 78.7417 in (null):P-9999 (4) self-bump: 2.15237 Ang N(30) at -21.88 13.236 78.344 in (null):P-9999 (4) and CB(32) at -22.6596 12.1113 80.0053 in (null):P-9999 (4) self-bump: 2.17018 Ang CB(20) at -21.0812 11.7666 76.3987 in (null):Y-9999 (3) and C(29) at -22.024 13.602 77.071 in (null):Y-9999 (3) self-bump: 1.27132 Ang CA(19) at -21.042 12.999 76.089 in (null):Y-9999 (3) and CB(20) at -21.0812 11.7666 76.3987 in (null):Y-9999 (3) Number of specific fragments= 1 total=2239 # 2bnh.245.245 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 245 :LMYPVDLHM 2bnh 245 :GLLSPASRL Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.04214 Ang SD(14) at 17.2758 51.3071 30.1445 in (null):M-9999 (2) and CE(75) at 18.8586 48.9855 28.9787 in (null):M-9999 (9) other bump:2.75124 Ang CE(15) at 16.4714 49.6804 30.1566 in (null):M-9999 (2) and CE(75) at 18.8586 48.9855 28.9787 in (null):M-9999 (9) other bump:2.83021 Ang CE(15) at 16.4714 49.6804 30.1566 in (null):M-9999 (2) and SD(74) at 17.6566 49.0703 27.66 in (null):M-9999 (9) other bump:2.95434 Ang CA(11) at 17.964 54.075 31.477 in (null):M-9999 (2) and CD1(56) at 20.9041 53.9559 31.7414 in (null):L-9999 (7) other bump:2.59569 Ang C(9) at 19.076 53.805 33.578 in (null):L-9999 (1) and CD1(56) at 20.9041 53.9559 31.7414 in (null):L-9999 (7) other bump:1.50421 Ang O(8) at 20.128 54.069 33.025 in (null):L-9999 (1) and CD1(56) at 20.9041 53.9559 31.7414 in (null):L-9999 (7) other bump:2.0691 Ang CD(34) at 20.6037 55.7378 32.7492 in (null):P-9999 (4) and CD1(56) at 20.9041 53.9559 31.7414 in (null):L-9999 (7) other bump:2.7321 Ang CB(32) at 22.8937 56.2711 33.2807 in (null):P-9999 (4) and OD1(48) at 25.5091 55.7979 32.6483 in (null):D-9999 (6) other bump:2.81553 Ang C(17) at 18.343 55.514 31.086 in (null):M-9999 (2) and CD(34) at 20.6037 55.7378 32.7492 in (null):P-9999 (4) neighbor-bump: 2.54689 Ang N(18) at 18.274 56.462 32.018 in (null):Y-9999 (3) and CD(34) at 20.6037 55.7378 32.7492 in (null):P-9999 (4) other bump:2.59936 Ang C(9) at 19.076 53.805 33.578 in (null):L-9999 (1) and CD(34) at 20.6037 55.7378 32.7492 in (null):P-9999 (4) other bump:1.7571 Ang O(8) at 20.128 54.069 33.025 in (null):L-9999 (1) and CD(34) at 20.6037 55.7378 32.7492 in (null):P-9999 (4) other bump:3.14702 Ang C(9) at 19.076 53.805 33.578 in (null):L-9999 (1) and CG(33) at 21.6711 55.5663 33.8367 in (null):P-9999 (4) other bump:2.29825 Ang O(8) at 20.128 54.069 33.025 in (null):L-9999 (1) and CG(33) at 21.6711 55.5663 33.8367 in (null):P-9999 (4) Number of specific fragments= 1 total=2240 # 1ej6D.245.245 read from T0147_twice.t2k.frag # found chain 1ej6D in template set T0147_twice 245 :LMYPVDLHM 1ej6D 246 :DAAEVWILS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2241 # 1fnf.245.245 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 245 :LMYPVDLHM 1fnf 1387 :LTPGTEYVV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.09687 Ang CA(19) at 18.855 19.393 -29.647 in (null):Y-9999 (3) and CD(34) at 18.7353 17.9401 -31.1541 in (null):P-9999 (4) neighbor-bump: 1.74521 Ang C(29) at 19.839 18.253 -29.839 in (null):Y-9999 (3) and CD(34) at 18.7353 17.9401 -31.1541 in (null):P-9999 (4) self-bump: 1.29295 Ang N(30) at 19.318 17.131 -30.331 in (null):P-9999 (4) and CD(34) at 18.7353 17.9401 -31.1541 in (null):P-9999 (4) neighbor-bump: 2.28347 Ang CB(20) at 18.8764 20.2136 -30.9951 in (null):Y-9999 (3) and CD(34) at 18.7353 17.9401 -31.1541 in (null):P-9999 (4) neighbor-bump: 2.76104 Ang C(29) at 19.839 18.253 -29.839 in (null):Y-9999 (3) and CG(33) at 19.375 17.4479 -32.439 in (null):P-9999 (4) self-bump: 2.13241 Ang N(30) at 19.318 17.131 -30.331 in (null):P-9999 (4) and CG(33) at 19.375 17.4479 -32.439 in (null):P-9999 (4) self-bump: 2.14448 Ang N(30) at 19.318 17.131 -30.331 in (null):P-9999 (4) and CB(32) at 20.633 16.7731 -31.9867 in (null):P-9999 (4) Number of specific fragments= 1 total=2242 # 1qbqA.246.247 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 246 :MYPVDLHMH 1qbqA 292 :YPNLLNQLL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16411 Ang OD2(41) at 214.855 95.9734 43.9409 in (null):D-9999 (5) and NE2(77) at 215.675 96.9859 45.6686 in (null):H-9999 (9) other bump:2.94215 Ang CG(39) at 215.769 95.2542 43.4819 in (null):D-9999 (5) and CD2(74) at 216.732 97.5842 44.9984 in (null):H-9999 (9) other bump:2.09593 Ang O(42) at 217.873 97.686 43.243 in (null):D-9999 (5) and CD2(74) at 216.732 97.5842 44.9984 in (null):H-9999 (9) other bump:3.04165 Ang C(43) at 217.869 96.978 42.243 in (null):D-9999 (5) and CD2(74) at 216.732 97.5842 44.9984 in (null):H-9999 (9) other bump:3.14168 Ang CG1(32) at 215.369 98.9014 38.1112 in (null):V-9999 (4) and SD(66) at 214.835 101.1 40.2912 in (null):M-9999 (8) neighbor-bump: 2.6969 Ang CD2(15) at 220.009 90.8749 35.3633 in (null):Y-9999 (2) and CD(26) at 219.396 93.4998 35.4463 in (null):P-9999 (3) Number of specific fragments= 1 total=2243 # 1jc9A.246.251 read from T0147_twice.t2k.frag # found chain 1jc9A in template set T0147_twice 246 :MYPVDLHMH 1jc9A 252 :LPQVEMKIR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74125 Ang SD(6) at -30.8427 -21.9852 -14.7248 in (null):M-9999 (1) and CG1(32) at -29.302 -19.935 -15.693 in (null):V-9999 (4) other bump:2.95946 Ang SD(6) at -30.8427 -21.9852 -14.7248 in (null):M-9999 (1) and O(27) at -31.829 -19.305 -13.949 in (null):P-9999 (3) Number of specific fragments= 1 total=2244 # 1et0A.246.246 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 246 :MYPVDLHMH 1et0A 267 :CGDVSFSSA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01553 Ang CG(65) at -15.506 30.7123 77.276 in (null):M-9999 (8) and N(80) at -14.355 31.207 74.533 in (null):G-9999 (10) neighbor-bump: 1.68991 Ang C(21) at -22.024 13.602 77.071 in (null):Y-9999 (2) and CD(26) at -21.7998 12.0882 77.7879 in (null):P-9999 (3) self-bump: 1.27793 Ang N(22) at -21.88 13.236 78.344 in (null):P-9999 (3) and CD(26) at -21.7998 12.0882 77.7879 in (null):P-9999 (3) neighbor-bump: 1.59685 Ang CB(12) at -21.0812 11.7666 76.3987 in (null):Y-9999 (2) and CD(26) at -21.7998 12.0882 77.7879 in (null):P-9999 (3) neighbor-bump: 2.07127 Ang CA(11) at -21.042 12.999 76.089 in (null):Y-9999 (2) and CD(26) at -21.7998 12.0882 77.7879 in (null):P-9999 (3) self-bump: 2.12688 Ang N(22) at -21.88 13.236 78.344 in (null):P-9999 (3) and CG(25) at -22.6852 11.308 78.7417 in (null):P-9999 (3) neighbor-bump: 2.8763 Ang CB(12) at -21.0812 11.7666 76.3987 in (null):Y-9999 (2) and CG(25) at -22.6852 11.308 78.7417 in (null):P-9999 (3) self-bump: 2.15237 Ang N(22) at -21.88 13.236 78.344 in (null):P-9999 (3) and CB(24) at -22.6596 12.1113 80.0053 in (null):P-9999 (3) self-bump: 2.17019 Ang CB(12) at -21.0812 11.7666 76.3987 in (null):Y-9999 (2) and C(21) at -22.024 13.602 77.071 in (null):Y-9999 (2) self-bump: 1.27133 Ang CA(11) at -21.042 12.999 76.089 in (null):Y-9999 (2) and CB(12) at -21.0812 11.7666 76.3987 in (null):Y-9999 (2) Number of specific fragments= 1 total=2245 # 2bnh.246.246 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 246 :MYPVDLHMH 2bnh 246 :LLSPASRLK Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6516 Ang O(60) at 22.561 51.655 23.515 in (null):H-9999 (7) and CD2(74) at 22.0874 51.5748 20.9073 in (null):H-9999 (9) other bump:2.75124 Ang CE(7) at 16.4714 49.6804 30.1566 in (null):M-9999 (1) and CE(67) at 18.8587 48.9855 28.9787 in (null):M-9999 (8) other bump:3.04214 Ang SD(6) at 17.2758 51.3071 30.1445 in (null):M-9999 (1) and CE(67) at 18.8587 48.9855 28.9787 in (null):M-9999 (8) other bump:2.83019 Ang CE(7) at 16.4714 49.6804 30.1566 in (null):M-9999 (1) and SD(66) at 17.6566 49.0703 27.66 in (null):M-9999 (8) other bump:2.59569 Ang C(1) at 19.076 53.805 33.578 in (null):G-9999 (0) and CD1(48) at 20.9041 53.9559 31.7414 in (null):L-9999 (6) other bump:2.95434 Ang CA(3) at 17.964 54.075 31.477 in (null):M-9999 (1) and CD1(48) at 20.9041 53.9559 31.7414 in (null):L-9999 (6) other bump:1.50421 Ang O(0) at 20.128 54.069 33.025 in (null):G-9999 (0) and CD1(48) at 20.9041 53.9559 31.7414 in (null):L-9999 (6) other bump:2.0691 Ang CD(26) at 20.6037 55.7378 32.7492 in (null):P-9999 (3) and CD1(48) at 20.9041 53.9559 31.7414 in (null):L-9999 (6) other bump:2.7321 Ang CB(24) at 22.8937 56.2711 33.2807 in (null):P-9999 (3) and OD1(40) at 25.5091 55.7979 32.6483 in (null):D-9999 (5) other bump:2.59936 Ang C(1) at 19.076 53.805 33.578 in (null):G-9999 (0) and CD(26) at 20.6037 55.7378 32.7492 in (null):P-9999 (3) other bump:2.81553 Ang C(9) at 18.343 55.514 31.086 in (null):M-9999 (1) and CD(26) at 20.6037 55.7378 32.7492 in (null):P-9999 (3) neighbor-bump: 2.54689 Ang N(10) at 18.274 56.462 32.018 in (null):Y-9999 (2) and CD(26) at 20.6037 55.7378 32.7492 in (null):P-9999 (3) other bump:1.7571 Ang O(0) at 20.128 54.069 33.025 in (null):G-9999 (0) and CD(26) at 20.6037 55.7378 32.7492 in (null):P-9999 (3) other bump:3.14702 Ang C(1) at 19.076 53.805 33.578 in (null):G-9999 (0) and CG(25) at 21.6711 55.5663 33.8367 in (null):P-9999 (3) other bump:2.29825 Ang O(0) at 20.128 54.069 33.025 in (null):G-9999 (0) and CG(25) at 21.6711 55.5663 33.8367 in (null):P-9999 (3) Number of specific fragments= 1 total=2246 # 1ej6D.246.246 read from T0147_twice.t2k.frag # found chain 1ej6D in template set T0147_twice 246 :MYPVDLHMH 1ej6D 247 :AAEVWILSC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2247 # 1k8kB.246.248 read from T0147_twice.t2k.frag # adding 1k8kB to template set 1k8kB:# found chain 1k8kB in template set T0147_twice 246 :MYPVDLHMH 1k8kB 249 :GRIIKVGGE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36594 Ang CB(46) at -9.61756 19.3958 45.9843 in (null):L-9999 (6) and NE2(77) at -9.86903 21.6651 45.364 in (null):H-9999 (9) other bump:2.40171 Ang CA(45) at -8.995 19.581 47.391 in (null):L-9999 (6) and CE1(76) at -9.37389 21.8105 46.5822 in (null):H-9999 (9) other bump:2.49949 Ang CB(46) at -9.61756 19.3958 45.9843 in (null):L-9999 (6) and CE1(76) at -9.37389 21.8105 46.5822 in (null):H-9999 (9) other bump:2.72524 Ang C(51) at -10.067 19.933 48.432 in (null):L-9999 (6) and CE1(76) at -9.37389 21.8105 46.5822 in (null):H-9999 (9) other bump:2.53482 Ang N(52) at -10.046 21.163 48.939 in (null):H-9999 (7) and CE1(76) at -9.37389 21.8105 46.5822 in (null):H-9999 (9) neighbor-bump: 2.17371 Ang CB(54) at -9.60672 22.739 50.5533 in (null):H-9999 (7) and N(62) at -11.405 23.95 50.396 in (null):M-9999 (8) neighbor-bump: 1.91021 Ang O(0) at 0.408 8.593 37.928 in (null):G-9999 (0) and CB(4) at -0.307934 7.4389 39.2713 in (null):M-9999 (1) neighbor-bump: 2.43297 Ang C(1) at -0.641 9.059 37.487 in (null):G-9999 (0) and CB(4) at -0.307934 7.4389 39.2713 in (null):M-9999 (1) Number of specific fragments= 1 total=2248 # 1qbqA.247.248 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 247 :YPVDLHMHT 1qbqA 293 :PNLLNQLLD Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16413 Ang OD2(33) at 214.855 95.9734 43.9409 in (null):D-9999 (4) and NE2(69) at 215.675 96.986 45.6686 in (null):H-9999 (8) other bump:2.94215 Ang CG(31) at 215.769 95.2542 43.4819 in (null):D-9999 (4) and CD2(66) at 216.732 97.5842 44.9984 in (null):H-9999 (8) other bump:2.09596 Ang O(34) at 217.873 97.686 43.243 in (null):D-9999 (4) and CD2(66) at 216.732 97.5842 44.9984 in (null):H-9999 (8) other bump:3.04168 Ang C(35) at 217.869 96.978 42.243 in (null):D-9999 (4) and CD2(66) at 216.732 97.5842 44.9984 in (null):H-9999 (8) other bump:3.14167 Ang CG1(24) at 215.369 98.9014 38.1112 in (null):V-9999 (3) and SD(58) at 214.835 101.1 40.2912 in (null):M-9999 (7) neighbor-bump: 2.69687 Ang CD2(7) at 220.009 90.8749 35.3633 in (null):Y-9999 (1) and CD(18) at 219.396 93.4998 35.4463 in (null):P-9999 (2) Number of specific fragments= 1 total=2249 # 1et0A.247.247 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 247 :YPVDLHMHT 1et0A 268 :GDVSFSSAT Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.71937 Ang SD(58) at -14.2105 31.2022 78.4162 in (null):M-9999 (7) and OG1(76) at -14.366 33.222 76.602 in (null):T-9999 (9) other bump:3.01553 Ang CG(57) at -15.506 30.7123 77.276 in (null):M-9999 (7) and N(72) at -14.355 31.207 74.533 in (null):T-9999 (9) neighbor-bump: 1.61833 Ang CG(5) at -22.2026 10.945 76.7157 in (null):Y-9999 (1) and CD(18) at -21.7998 12.0882 77.7879 in (null):P-9999 (2) neighbor-bump: 2.92256 Ang CD1(6) at -23.0209 10.4233 75.7195 in (null):Y-9999 (1) and CD(18) at -21.7998 12.0882 77.7879 in (null):P-9999 (2) neighbor-bump: 1.56145 Ang CD2(7) at -22.6276 10.7872 78.0338 in (null):Y-9999 (1) and CD(18) at -21.7998 12.0882 77.7879 in (null):P-9999 (2) neighbor-bump: 2.85573 Ang CE2(9) at -23.8162 10.1392 78.327 in (null):Y-9999 (1) and CD(18) at -21.7998 12.0882 77.7879 in (null):P-9999 (2) neighbor-bump: 1.68991 Ang C(13) at -22.024 13.602 77.071 in (null):Y-9999 (1) and CD(18) at -21.7998 12.0882 77.7879 in (null):P-9999 (2) neighbor-bump: 2.07127 Ang CA(3) at -21.042 12.999 76.089 in (null):Y-9999 (1) and CD(18) at -21.7998 12.0882 77.7879 in (null):P-9999 (2) neighbor-bump: 1.72289 Ang CB(4) at -20.9201 11.6772 76.3647 in (null):Y-9999 (1) and CD(18) at -21.7998 12.0882 77.7879 in (null):P-9999 (2) self-bump: 1.27793 Ang N(14) at -21.88 13.236 78.344 in (null):P-9999 (2) and CD(18) at -21.7998 12.0882 77.7879 in (null):P-9999 (2) neighbor-bump: 2.11414 Ang CG(5) at -22.2026 10.945 76.7157 in (null):Y-9999 (1) and CG(17) at -22.6852 11.308 78.7417 in (null):P-9999 (2) neighbor-bump: 0.880723 Ang CD2(7) at -22.6276 10.7872 78.0338 in (null):Y-9999 (1) and CG(17) at -22.6852 11.308 78.7417 in (null):P-9999 (2) neighbor-bump: 1.67851 Ang CE2(9) at -23.8162 10.1392 78.327 in (null):Y-9999 (1) and CG(17) at -22.6852 11.308 78.7417 in (null):P-9999 (2) neighbor-bump: 2.98363 Ang CB(4) at -20.9201 11.6772 76.3647 in (null):Y-9999 (1) and CG(17) at -22.6852 11.308 78.7417 in (null):P-9999 (2) self-bump: 2.12688 Ang N(14) at -21.88 13.236 78.344 in (null):P-9999 (2) and CG(17) at -22.6852 11.308 78.7417 in (null):P-9999 (2) neighbor-bump: 2.37505 Ang CD2(7) at -22.6276 10.7872 78.0338 in (null):Y-9999 (1) and CB(16) at -22.6596 12.1113 80.0053 in (null):P-9999 (2) neighbor-bump: 2.83613 Ang CE2(9) at -23.8162 10.1392 78.327 in (null):Y-9999 (1) and CB(16) at -22.6596 12.1113 80.0053 in (null):P-9999 (2) self-bump: 2.15237 Ang N(14) at -21.88 13.236 78.344 in (null):P-9999 (2) and CB(16) at -22.6596 12.1113 80.0053 in (null):P-9999 (2) neighbor-bump: 2.57905 Ang CD2(7) at -22.6276 10.7872 78.0338 in (null):Y-9999 (1) and N(14) at -21.88 13.236 78.344 in (null):P-9999 (2) self-bump: 1.35573 Ang CA(3) at -21.042 12.999 76.089 in (null):Y-9999 (1) and CB(4) at -20.9201 11.6772 76.3647 in (null):Y-9999 (1) Number of specific fragments= 1 total=2250 # 2bnh.247.247 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 247 :YPVDLHMHT 2bnh 247 :LSPASRLKT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6516 Ang O(52) at 22.561 51.655 23.515 in (null):H-9999 (6) and CD2(66) at 22.0874 51.5748 20.9073 in (null):H-9999 (8) other bump:2.06911 Ang CD(18) at 20.6037 55.7379 32.7492 in (null):P-9999 (2) and CD1(40) at 20.9041 53.9559 31.7414 in (null):L-9999 (5) other bump:2.7321 Ang CB(16) at 22.8937 56.2711 33.2807 in (null):P-9999 (2) and OD1(32) at 25.5091 55.7979 32.6483 in (null):D-9999 (4) other bump:2.81553 Ang C(1) at 18.343 55.514 31.086 in (null):G-9999 (0) and CD(18) at 20.6037 55.7379 32.7492 in (null):P-9999 (2) neighbor-bump: 2.54688 Ang N(2) at 18.274 56.462 32.018 in (null):Y-9999 (1) and CD(18) at 20.6037 55.7379 32.7492 in (null):P-9999 (2) Number of specific fragments= 1 total=2251 # 1k8kB.247.249 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 247 :YPVDLHMHT 1k8kB 250 :RIIKVGGER Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36594 Ang CB(38) at -9.61756 19.3958 45.9843 in (null):L-9999 (5) and NE2(69) at -9.86905 21.6651 45.364 in (null):H-9999 (8) other bump:2.40171 Ang CA(37) at -8.995 19.581 47.391 in (null):L-9999 (5) and CE1(68) at -9.37391 21.8105 46.5822 in (null):H-9999 (8) other bump:2.49948 Ang CB(38) at -9.61756 19.3958 45.9843 in (null):L-9999 (5) and CE1(68) at -9.37391 21.8105 46.5822 in (null):H-9999 (8) other bump:2.72524 Ang C(43) at -10.067 19.933 48.432 in (null):L-9999 (5) and CE1(68) at -9.37391 21.8105 46.5822 in (null):H-9999 (8) other bump:2.53482 Ang N(44) at -10.046 21.163 48.939 in (null):H-9999 (6) and CE1(68) at -9.37391 21.8105 46.5822 in (null):H-9999 (8) neighbor-bump: 2.17371 Ang CB(46) at -9.60672 22.739 50.5533 in (null):H-9999 (6) and N(54) at -11.405 23.95 50.396 in (null):M-9999 (7) Number of specific fragments= 1 total=2252 # 1jc9A.247.252 read from T0147_twice.t2k.frag # found chain 1jc9A in template set T0147_twice 247 :YPVDLHMHT 1jc9A 253 :PQVEMKIRP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2253 # 1bpyA.247.247 read from T0147_twice.t2k.frag # adding 1bpyA to template set 1bpyA:# found chain 1bpyA in template set T0147_twice 247 :YPVDLHMHT 1bpyA 248 :KEYPHRRID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2254 # 1qbqA.248.249 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 248 :PVDLHMHTV 1qbqA 294 :NLLNQLLDL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16413 Ang OD2(21) at 214.855 95.9734 43.9409 in (null):D-9999 (3) and NE2(57) at 215.675 96.986 45.6686 in (null):H-9999 (7) other bump:2.94216 Ang CG(19) at 215.769 95.2542 43.4819 in (null):D-9999 (3) and CD2(54) at 216.732 97.5842 44.9984 in (null):H-9999 (7) other bump:2.09596 Ang O(22) at 217.873 97.686 43.243 in (null):D-9999 (3) and CD2(54) at 216.732 97.5842 44.9984 in (null):H-9999 (7) other bump:3.04168 Ang C(23) at 217.869 96.978 42.243 in (null):D-9999 (3) and CD2(54) at 216.732 97.5842 44.9984 in (null):H-9999 (7) other bump:3.14168 Ang CG1(12) at 215.369 98.9014 38.1112 in (null):V-9999 (2) and SD(46) at 214.835 101.1 40.2912 in (null):M-9999 (6) Number of specific fragments= 1 total=2255 # 1et0A.248.248 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 248 :PVDLHMHTV 1et0A 269 :DVSFSSATL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.71937 Ang SD(46) at -14.2105 31.2022 78.4162 in (null):M-9999 (6) and OG1(64) at -14.366 33.222 76.602 in (null):T-9999 (8) other bump:3.01553 Ang CG(45) at -15.506 30.7123 77.276 in (null):M-9999 (6) and N(60) at -14.355 31.207 74.533 in (null):T-9999 (8) neighbor-bump: 1.68992 Ang C(1) at -22.024 13.602 77.071 in (null):G-9999 (0) and CD(6) at -21.7998 12.0882 77.7879 in (null):P-9999 (1) self-bump: 1.27793 Ang N(2) at -21.88 13.236 78.344 in (null):P-9999 (1) and CD(6) at -21.7998 12.0882 77.7879 in (null):P-9999 (1) self-bump: 2.12688 Ang N(2) at -21.88 13.236 78.344 in (null):P-9999 (1) and CG(5) at -22.6852 11.308 78.7417 in (null):P-9999 (1) self-bump: 2.15238 Ang N(2) at -21.88 13.236 78.344 in (null):P-9999 (1) and CB(4) at -22.6596 12.1113 80.0053 in (null):P-9999 (1) Number of specific fragments= 1 total=2256 # 1k8kB.248.250 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 248 :PVDLHMHTV 1k8kB 251 :IIKVGGERF Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36594 Ang CB(26) at -9.61756 19.3958 45.9843 in (null):L-9999 (4) and NE2(57) at -9.86905 21.6651 45.364 in (null):H-9999 (7) other bump:2.40171 Ang CA(25) at -8.995 19.581 47.391 in (null):L-9999 (4) and CE1(56) at -9.37391 21.8105 46.5822 in (null):H-9999 (7) other bump:2.49948 Ang CB(26) at -9.61756 19.3958 45.9843 in (null):L-9999 (4) and CE1(56) at -9.37391 21.8105 46.5822 in (null):H-9999 (7) other bump:2.72524 Ang C(31) at -10.067 19.933 48.432 in (null):L-9999 (4) and CE1(56) at -9.37391 21.8105 46.5822 in (null):H-9999 (7) other bump:2.53482 Ang N(32) at -10.046 21.163 48.939 in (null):H-9999 (5) and CE1(56) at -9.37391 21.8105 46.5822 in (null):H-9999 (7) neighbor-bump: 2.17371 Ang CB(34) at -9.60672 22.739 50.5533 in (null):H-9999 (5) and N(42) at -11.405 23.95 50.396 in (null):M-9999 (6) Number of specific fragments= 1 total=2257 # 2bnh.248.248 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 248 :PVDLHMHTV 2bnh 248 :SPASRLKTL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86164 Ang SD(46) at 17.6566 49.0703 27.66 in (null):M-9999 (6) and CG2(71) at 15.3568 49.4668 26.0039 in (null):V-9999 (9) other bump:2.6516 Ang O(40) at 22.561 51.655 23.515 in (null):H-9999 (5) and CD2(54) at 22.0874 51.5748 20.9073 in (null):H-9999 (7) other bump:1.84441 Ang CG(5) at 22.0329 55.082 32.6684 in (null):P-9999 (1) and CD1(28) at 20.9041 53.9559 31.7414 in (null):L-9999 (4) other bump:1.92111 Ang CD(6) at 20.6397 55.6612 32.5856 in (null):P-9999 (1) and CD1(28) at 20.9041 53.9559 31.7414 in (null):L-9999 (4) other bump:2.17911 Ang CG(5) at 22.0329 55.082 32.6684 in (null):P-9999 (1) and CG(27) at 22.2252 53.5855 31.0961 in (null):L-9999 (4) other bump:3.00679 Ang CD(6) at 20.6397 55.6612 32.5856 in (null):P-9999 (1) and CG(27) at 22.2252 53.5855 31.0961 in (null):L-9999 (4) other bump:2.77865 Ang CB(4) at 22.8269 56.2135 33.2433 in (null):P-9999 (1) and OD1(20) at 25.5091 55.7979 32.6483 in (null):D-9999 (3) Number of specific fragments= 1 total=2258 # 1amp.248.249 read from T0147_twice.t2k.frag # adding 1amp to template set 1amp:# found chain 1amp in template set T0147_twice 248 :PVDLHMHTV 1amp 250 :DYNPRIHTT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.84067 Ang CG(45) at 33.5241 -7.19604 37.2502 in (null):M-9999 (6) and CD2(54) at 35.95 -7.685 38.645 in (null):H-9999 (7) neighbor-bump: 1.65571 Ang C(1) at 23.236 -2.125 41.873 in (null):G-9999 (0) and CD(6) at 22.786 -0.724368 41.1133 in (null):P-9999 (1) self-bump: 1.29207 Ang N(2) at 23.195 -1.818 40.56 in (null):P-9999 (1) and CD(6) at 22.786 -0.724368 41.1133 in (null):P-9999 (1) neighbor-bump: 2.80709 Ang C(1) at 23.236 -2.125 41.873 in (null):G-9999 (0) and CG(5) at 21.4898 -0.544958 40.3452 in (null):P-9999 (1) self-bump: 2.13877 Ang N(2) at 23.195 -1.818 40.56 in (null):P-9999 (1) and CG(5) at 21.4898 -0.544958 40.3452 in (null):P-9999 (1) Number of specific fragments= 1 total=2259 # 1fnf.248.248 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 248 :PVDLHMHTV 1fnf 1390 :GTEYVVSIV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76973 Ang NE2(57) at 18.8649 8.45107 -8.34699 in (null):H-9999 (7) and CG1(70) at 16.843 8.557 -6.457 in (null):V-9999 (9) neighbor-bump: 1.84768 Ang C(1) at 19.839 18.253 -29.839 in (null):G-9999 (0) and CD(6) at 19.8069 17.8549 -31.643 in (null):P-9999 (1) self-bump: 2.20662 Ang CA(3) at 20.114 15.943 -30.585 in (null):P-9999 (1) and CD(6) at 19.8069 17.8549 -31.643 in (null):P-9999 (1) Number of specific fragments= 1 total=2260 # 1qbqA.249.250 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 249 :VDLHMHTVA 1qbqA 295 :LLNQLLDLQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.1641 Ang OD2(14) at 214.855 95.9734 43.9409 in (null):D-9999 (2) and NE2(50) at 215.675 96.986 45.6686 in (null):H-9999 (6) other bump:2.94213 Ang CG(12) at 215.769 95.2543 43.4819 in (null):D-9999 (2) and CD2(47) at 216.732 97.5842 44.9984 in (null):H-9999 (6) other bump:2.09595 Ang O(15) at 217.873 97.686 43.243 in (null):D-9999 (2) and CD2(47) at 216.732 97.5842 44.9984 in (null):H-9999 (6) other bump:3.04168 Ang C(16) at 217.869 96.978 42.243 in (null):D-9999 (2) and CD2(47) at 216.732 97.5842 44.9984 in (null):H-9999 (6) other bump:3.14167 Ang CG1(5) at 215.369 98.9014 38.1112 in (null):V-9999 (1) and SD(39) at 214.835 101.1 40.2912 in (null):M-9999 (5) Number of specific fragments= 1 total=2261 # 1et0A.249.249 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 249 :VDLHMHTVA 1et0A 270 :VSFSSATLY Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82042 Ang CG(46) at -15.5641 28.0542 71.5615 in (null):H-9999 (6) and CB(69) at -13.084 28.552 70.314 in (null):A-9999 (9) other bump:2.06915 Ang CD2(47) at -14.2902 27.6228 71.7151 in (null):H-9999 (6) and CB(69) at -13.084 28.552 70.314 in (null):A-9999 (9) other bump:3.01162 Ang ND1(48) at -15.9571 27.6493 70.3015 in (null):H-9999 (6) and CB(69) at -13.084 28.552 70.314 in (null):A-9999 (9) other bump:2.50691 Ang CE1(49) at -14.9619 27.0012 69.7199 in (null):H-9999 (6) and CB(69) at -13.084 28.552 70.314 in (null):A-9999 (9) other bump:1.81266 Ang NE2(50) at -13.938 26.9718 70.5576 in (null):H-9999 (6) and CB(69) at -13.084 28.552 70.314 in (null):A-9999 (9) other bump:2.71937 Ang SD(39) at -14.2105 31.2022 78.4162 in (null):M-9999 (5) and OG1(57) at -14.366 33.222 76.602 in (null):T-9999 (7) other bump:3.01553 Ang CG(38) at -15.506 30.7123 77.276 in (null):M-9999 (5) and N(53) at -14.355 31.207 74.533 in (null):T-9999 (7) Number of specific fragments= 1 total=2262 # 1k8kB.249.251 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 249 :VDLHMHTVA 1k8kB 252 :IKVGGERFE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36594 Ang CB(19) at -9.61756 19.3958 45.9843 in (null):L-9999 (3) and NE2(50) at -9.86905 21.6651 45.364 in (null):H-9999 (6) other bump:2.49948 Ang CB(19) at -9.61756 19.3958 45.9843 in (null):L-9999 (3) and CE1(49) at -9.37391 21.8105 46.5822 in (null):H-9999 (6) other bump:2.40171 Ang CA(18) at -8.995 19.581 47.391 in (null):L-9999 (3) and CE1(49) at -9.37391 21.8105 46.5822 in (null):H-9999 (6) other bump:2.72524 Ang C(24) at -10.067 19.933 48.432 in (null):L-9999 (3) and CE1(49) at -9.37391 21.8105 46.5822 in (null):H-9999 (6) other bump:2.53482 Ang N(25) at -10.046 21.163 48.939 in (null):H-9999 (4) and CE1(49) at -9.37391 21.8105 46.5822 in (null):H-9999 (6) neighbor-bump: 2.17371 Ang CB(27) at -9.60672 22.739 50.5533 in (null):H-9999 (4) and N(35) at -11.405 23.95 50.396 in (null):M-9999 (5) Number of specific fragments= 1 total=2263 # 2bnh.249.249 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 249 :VDLHMHTVA 2bnh 249 :PASRLKTLW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86164 Ang SD(39) at 17.6566 49.0703 27.66 in (null):M-9999 (5) and CG2(64) at 15.3568 49.4668 26.0039 in (null):V-9999 (8) other bump:2.6516 Ang O(33) at 22.561 51.655 23.515 in (null):H-9999 (4) and CD2(47) at 22.0874 51.5748 20.9073 in (null):H-9999 (6) Number of specific fragments= 1 total=2264 # 1amp.249.250 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 249 :VDLHMHTVA 1amp 251 :YNPRIHTTQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.84066 Ang CG(38) at 33.5241 -7.19604 37.2502 in (null):M-9999 (5) and CD2(47) at 35.95 -7.685 38.645 in (null):H-9999 (6) Number of specific fragments= 1 total=2265 # 1fnf.249.249 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 249 :VDLHMHTVA 1fnf 1391 :TEYVVSIVA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76973 Ang NE2(50) at 18.8649 8.45107 -8.34699 in (null):H-9999 (6) and CG1(63) at 16.843 8.557 -6.457 in (null):V-9999 (8) Number of specific fragments= 1 total=2266 # 1qbqA.250.251 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 250 :DLHMHTVAS 1qbqA 296 :LNQLLDLQP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.1641 Ang OD2(7) at 214.855 95.9734 43.9409 in (null):D-9999 (1) and NE2(43) at 215.675 96.986 45.6686 in (null):H-9999 (5) other bump:2.94215 Ang CG(5) at 215.769 95.2542 43.4819 in (null):D-9999 (1) and CD2(40) at 216.732 97.5842 44.9984 in (null):H-9999 (5) other bump:3.04168 Ang C(9) at 217.869 96.978 42.243 in (null):D-9999 (1) and CD2(40) at 216.732 97.5842 44.9984 in (null):H-9999 (5) other bump:2.09595 Ang O(8) at 217.873 97.686 43.243 in (null):D-9999 (1) and CD2(40) at 216.732 97.5842 44.9984 in (null):H-9999 (5) Number of specific fragments= 1 total=2267 # 1et0A.250.250 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 250 :DLHMHTVAS 1et0A 271 :SFSSATLYE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82042 Ang CG(39) at -15.5641 28.0542 71.5615 in (null):H-9999 (5) and CB(62) at -13.084 28.552 70.314 in (null):A-9999 (8) other bump:2.06915 Ang CD2(40) at -14.2902 27.6228 71.7151 in (null):H-9999 (5) and CB(62) at -13.084 28.552 70.314 in (null):A-9999 (8) other bump:3.01162 Ang ND1(41) at -15.9571 27.6493 70.3015 in (null):H-9999 (5) and CB(62) at -13.084 28.552 70.314 in (null):A-9999 (8) other bump:2.50691 Ang CE1(42) at -14.9619 27.0012 69.7199 in (null):H-9999 (5) and CB(62) at -13.084 28.552 70.314 in (null):A-9999 (8) other bump:1.81266 Ang NE2(43) at -13.938 26.9718 70.5576 in (null):H-9999 (5) and CB(62) at -13.084 28.552 70.314 in (null):A-9999 (8) other bump:2.71937 Ang SD(32) at -14.2105 31.2022 78.4162 in (null):M-9999 (4) and OG1(50) at -14.366 33.222 76.602 in (null):T-9999 (6) other bump:3.01553 Ang CG(31) at -15.506 30.7123 77.276 in (null):M-9999 (4) and N(46) at -14.355 31.207 74.533 in (null):T-9999 (6) Number of specific fragments= 1 total=2268 # 1k8kB.250.252 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 250 :DLHMHTVAS 1k8kB 253 :KVGGERFEA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36594 Ang CB(12) at -9.61756 19.3958 45.9843 in (null):L-9999 (2) and NE2(43) at -9.86905 21.6651 45.364 in (null):H-9999 (5) other bump:2.40171 Ang CA(11) at -8.995 19.581 47.391 in (null):L-9999 (2) and CE1(42) at -9.37391 21.8105 46.5822 in (null):H-9999 (5) other bump:2.49947 Ang CB(12) at -9.61756 19.3958 45.9843 in (null):L-9999 (2) and CE1(42) at -9.37391 21.8105 46.5822 in (null):H-9999 (5) other bump:2.72524 Ang C(17) at -10.067 19.933 48.432 in (null):L-9999 (2) and CE1(42) at -9.37391 21.8105 46.5822 in (null):H-9999 (5) other bump:2.53482 Ang N(18) at -10.046 21.163 48.939 in (null):H-9999 (3) and CE1(42) at -9.37391 21.8105 46.5822 in (null):H-9999 (5) neighbor-bump: 2.17371 Ang CB(20) at -9.60672 22.739 50.5533 in (null):H-9999 (3) and N(28) at -11.405 23.95 50.396 in (null):M-9999 (4) Number of specific fragments= 1 total=2269 # 1amp.250.251 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 250 :DLHMHTVAS 1amp 252 :NPRIHTTQD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87707 Ang CA(29) at 32.164 -9.377 36.972 in (null):M-9999 (4) and OG(68) at 32.4165 -11.2325 34.7878 in (null):S-9999 (9) neighbor-bump: 2.84066 Ang CG(31) at 33.5241 -7.19604 37.2502 in (null):M-9999 (4) and CD2(40) at 35.95 -7.685 38.645 in (null):H-9999 (5) Number of specific fragments= 1 total=2270 # 2bnh.250.250 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 250 :DLHMHTVAS 2bnh 250 :ASRLKTLWL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86164 Ang SD(32) at 17.6566 49.0703 27.66 in (null):M-9999 (4) and CG2(57) at 15.3568 49.4668 26.0039 in (null):V-9999 (7) other bump:2.6516 Ang O(26) at 22.561 51.655 23.515 in (null):H-9999 (3) and CD2(40) at 22.0874 51.5748 20.9073 in (null):H-9999 (5) Number of specific fragments= 1 total=2271 # 1fnf.250.250 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 250 :DLHMHTVAS 1fnf 1392 :EYVVSIVAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76973 Ang NE2(43) at 18.8649 8.45107 -8.34699 in (null):H-9999 (5) and CG1(56) at 16.843 8.557 -6.457 in (null):V-9999 (7) Number of specific fragments= 1 total=2272 # 1qbqA.251.252 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 251 :LHMHTVAST 1qbqA 297 :NQLLDLQPS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.09595 Ang O(0) at 217.873 97.686 43.243 in (null):G-9999 (0) and CD2(32) at 216.732 97.5842 44.9984 in (null):H-9999 (4) other bump:3.04168 Ang C(1) at 217.869 96.978 42.243 in (null):G-9999 (0) and CD2(32) at 216.732 97.5842 44.9984 in (null):H-9999 (4) Number of specific fragments= 1 total=2273 # 1et0A.251.251 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 251 :LHMHTVAST 1et0A 272 :FSSATLYEY Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01162 Ang ND1(33) at -15.9571 27.6493 70.3015 in (null):H-9999 (4) and CB(54) at -13.084 28.552 70.314 in (null):A-9999 (7) other bump:2.82042 Ang CG(31) at -15.5641 28.0542 71.5615 in (null):H-9999 (4) and CB(54) at -13.084 28.552 70.314 in (null):A-9999 (7) other bump:2.06915 Ang CD2(32) at -14.2902 27.6228 71.7151 in (null):H-9999 (4) and CB(54) at -13.084 28.552 70.314 in (null):A-9999 (7) other bump:2.50691 Ang CE1(34) at -14.9619 27.0012 69.7199 in (null):H-9999 (4) and CB(54) at -13.084 28.552 70.314 in (null):A-9999 (7) other bump:1.81266 Ang NE2(35) at -13.938 26.9718 70.5576 in (null):H-9999 (4) and CB(54) at -13.084 28.552 70.314 in (null):A-9999 (7) other bump:2.71937 Ang SD(24) at -14.2105 31.2022 78.4162 in (null):M-9999 (3) and OG1(42) at -14.366 33.222 76.602 in (null):T-9999 (5) other bump:3.01553 Ang CG(23) at -15.506 30.7123 77.276 in (null):M-9999 (3) and N(38) at -14.355 31.207 74.533 in (null):T-9999 (5) Number of specific fragments= 1 total=2274 # 1k8kB.251.253 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 251 :LHMHTVAST 1k8kB 254 :VGGERFEAP Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52333 Ang CD1(6) at -11.423 21.2879 45.7906 in (null):L-9999 (1) and OG1(42) at -13.7796 21.6062 46.6346 in (null):T-9999 (5) other bump:1.65498 Ang CD1(6) at -11.423 21.2879 45.7906 in (null):L-9999 (1) and NE2(35) at -9.86905 21.6651 45.364 in (null):H-9999 (4) other bump:2.24061 Ang CB(4) at -9.58038 19.5267 45.9674 in (null):L-9999 (1) and NE2(35) at -9.86905 21.6651 45.364 in (null):H-9999 (4) other bump:0.885865 Ang CG(5) at -10.063 20.8041 45.2875 in (null):L-9999 (1) and NE2(35) at -9.86905 21.6651 45.364 in (null):H-9999 (4) other bump:0.872426 Ang CD2(7) at -9.03369 21.9121 45.4116 in (null):L-9999 (1) and NE2(35) at -9.86905 21.6651 45.364 in (null):H-9999 (4) other bump:2.25795 Ang CD1(6) at -11.423 21.2879 45.7906 in (null):L-9999 (1) and CE1(34) at -9.37391 21.8105 46.5822 in (null):H-9999 (4) other bump:2.40171 Ang CA(3) at -8.995 19.581 47.391 in (null):L-9999 (1) and CE1(34) at -9.37391 21.8105 46.5822 in (null):H-9999 (4) other bump:2.37411 Ang CB(4) at -9.58038 19.5267 45.9674 in (null):L-9999 (1) and CE1(34) at -9.37391 21.8105 46.5822 in (null):H-9999 (4) other bump:1.77874 Ang CG(5) at -10.063 20.8041 45.2875 in (null):L-9999 (1) and CE1(34) at -9.37391 21.8105 46.5822 in (null):H-9999 (4) other bump:2.72524 Ang C(9) at -10.067 19.933 48.432 in (null):L-9999 (1) and CE1(34) at -9.37391 21.8105 46.5822 in (null):H-9999 (4) other bump:2.53482 Ang N(10) at -10.046 21.163 48.939 in (null):H-9999 (2) and CE1(34) at -9.37391 21.8105 46.5822 in (null):H-9999 (4) other bump:1.22329 Ang CD2(7) at -9.03369 21.9121 45.4116 in (null):L-9999 (1) and CE1(34) at -9.37391 21.8105 46.5822 in (null):H-9999 (4) other bump:2.97393 Ang CD1(6) at -11.423 21.2879 45.7906 in (null):L-9999 (1) and ND1(33) at -9.31534 23.0925 46.8608 in (null):H-9999 (4) other bump:2.87599 Ang CG(5) at -10.063 20.8041 45.2875 in (null):L-9999 (1) and ND1(33) at -9.31534 23.0925 46.8608 in (null):H-9999 (4) other bump:1.89022 Ang CD2(7) at -9.03369 21.9121 45.4116 in (null):L-9999 (1) and ND1(33) at -9.31534 23.0925 46.8608 in (null):H-9999 (4) other bump:2.27445 Ang CD1(6) at -11.423 21.2879 45.7906 in (null):L-9999 (1) and CD2(32) at -10.1372 22.9053 44.8399 in (null):H-9999 (4) other bump:2.14955 Ang CG(5) at -10.063 20.8041 45.2875 in (null):L-9999 (1) and CD2(32) at -10.1372 22.9053 44.8399 in (null):H-9999 (4) other bump:1.59085 Ang CD2(7) at -9.03369 21.9121 45.4116 in (null):L-9999 (1) and CD2(32) at -10.1372 22.9053 44.8399 in (null):H-9999 (4) other bump:3.05816 Ang CG(5) at -10.063 20.8041 45.2875 in (null):L-9999 (1) and CG(31) at -9.79652 23.8099 45.7843 in (null):H-9999 (4) other bump:2.07898 Ang CD2(7) at -9.03369 21.9121 45.4116 in (null):L-9999 (1) and CG(31) at -9.79652 23.8099 45.7843 in (null):H-9999 (4) neighbor-bump: 2.17371 Ang CB(12) at -9.60672 22.739 50.5533 in (null):H-9999 (2) and N(20) at -11.405 23.95 50.396 in (null):M-9999 (3) Number of specific fragments= 1 total=2275 # 1amp.251.252 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 251 :LHMHTVAST 1amp 253 :PRIHTTQDT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.89271 Ang O(18) at 31.417 -11.954 36.727 in (null):H-9999 (2) and OG(60) at 31.4914 -11.3195 34.9454 in (null):S-9999 (8) other bump:2.29264 Ang C(19) at 30.515 -11.153 37.013 in (null):H-9999 (2) and OG(60) at 31.4914 -11.3195 34.9454 in (null):S-9999 (8) other bump:2.88665 Ang CA(21) at 32.164 -9.377 36.972 in (null):M-9999 (3) and OG(60) at 31.4914 -11.3195 34.9454 in (null):S-9999 (8) neighbor-bump: 2.84066 Ang CG(23) at 33.5241 -7.19604 37.2502 in (null):M-9999 (3) and CD2(32) at 35.95 -7.685 38.645 in (null):H-9999 (4) Number of specific fragments= 1 total=2276 # 2bnh.251.251 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 251 :LHMHTVAST 2bnh 251 :SRLKTLWLW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86164 Ang SD(24) at 17.6566 49.0703 27.66 in (null):M-9999 (3) and CG2(49) at 15.3568 49.4668 26.0039 in (null):V-9999 (6) other bump:2.6516 Ang O(18) at 22.561 51.655 23.515 in (null):H-9999 (2) and CD2(32) at 22.0874 51.5748 20.9073 in (null):H-9999 (4) Number of specific fragments= 1 total=2277 # 1fnf.251.251 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 251 :LHMHTVAST 1fnf 1393 :YVVSIVALN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76973 Ang NE2(35) at 18.8649 8.45107 -8.34699 in (null):H-9999 (4) and CG1(48) at 16.843 8.557 -6.457 in (null):V-9999 (6) Number of specific fragments= 1 total=2278 # 1qbqA.252.253 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 252 :HMHTVASTH 1qbqA 298 :QLLDLQPSH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.90527 Ang CG2(58) at 225.139 108.316 46.2416 in (null):T-9999 (8) and CD2(66) at 223.082 108.753 44.237 in (null):H-9999 (9) other bump:2.48933 Ang CG2(41) at 220.127 106.937 44.164 in (null):V-9999 (5) and CB(64) at 220.595 109.323 44.699 in (null):H-9999 (9) Number of specific fragments= 1 total=2279 # 1et0A.252.252 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 252 :HMHTVASTH 1et0A 273 :SSATLYEYL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01162 Ang ND1(25) at -15.9571 27.6493 70.3015 in (null):H-9999 (3) and CB(46) at -13.084 28.552 70.314 in (null):A-9999 (6) other bump:2.82044 Ang CG(23) at -15.5641 28.0542 71.5615 in (null):H-9999 (3) and CB(46) at -13.084 28.552 70.314 in (null):A-9999 (6) other bump:2.06915 Ang CD2(24) at -14.2902 27.6228 71.7151 in (null):H-9999 (3) and CB(46) at -13.084 28.552 70.314 in (null):A-9999 (6) other bump:2.50692 Ang CE1(26) at -14.9619 27.0011 69.7199 in (null):H-9999 (3) and CB(46) at -13.084 28.552 70.314 in (null):A-9999 (6) other bump:1.81267 Ang NE2(27) at -13.938 26.9718 70.5576 in (null):H-9999 (3) and CB(46) at -13.084 28.552 70.314 in (null):A-9999 (6) other bump:2.71938 Ang SD(16) at -14.2105 31.2022 78.4162 in (null):M-9999 (2) and OG1(34) at -14.366 33.222 76.602 in (null):T-9999 (4) other bump:3.01552 Ang CG(15) at -15.506 30.7123 77.276 in (null):M-9999 (2) and N(30) at -14.355 31.207 74.533 in (null):T-9999 (4) Number of specific fragments= 1 total=2280 # 1k8kB.252.254 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 252 :HMHTVASTH 1k8kB 255 :GGERFEAPE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72524 Ang C(1) at -10.067 19.933 48.432 in (null):G-9999 (0) and CE1(26) at -9.37391 21.8105 46.5822 in (null):H-9999 (3) other bump:2.53482 Ang N(2) at -10.046 21.163 48.939 in (null):H-9999 (1) and CE1(26) at -9.37391 21.8105 46.5822 in (null):H-9999 (3) self-bump: 1.3477 Ang CA(3) at -10.965 21.615 49.976 in (null):H-9999 (1) and CB(4) at -10.8956 21.4802 51.3152 in (null):H-9999 (1) Number of specific fragments= 1 total=2281 # 1amp.252.253 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 252 :HMHTVASTH 1amp 254 :RIHTTQDTL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.89271 Ang O(10) at 31.417 -11.954 36.727 in (null):H-9999 (1) and OG(52) at 31.4914 -11.3195 34.9454 in (null):S-9999 (7) other bump:2.29264 Ang C(11) at 30.515 -11.153 37.013 in (null):H-9999 (1) and OG(52) at 31.4914 -11.3195 34.9454 in (null):S-9999 (7) other bump:2.88665 Ang CA(13) at 32.164 -9.377 36.972 in (null):M-9999 (2) and OG(52) at 31.4914 -11.3195 34.9454 in (null):S-9999 (7) neighbor-bump: 2.84066 Ang CG(15) at 33.5241 -7.19604 37.2502 in (null):M-9999 (2) and CD2(24) at 35.95 -7.685 38.645 in (null):H-9999 (3) Number of specific fragments= 1 total=2282 # 2bnh.252.252 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 252 :HMHTVASTH 2bnh 252 :RLKTLWLWE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86164 Ang SD(16) at 17.6566 49.0703 27.66 in (null):M-9999 (2) and CG2(41) at 15.3568 49.4668 26.0039 in (null):V-9999 (5) other bump:2.6516 Ang O(10) at 22.561 51.655 23.515 in (null):H-9999 (1) and CD2(24) at 22.0874 51.5748 20.9073 in (null):H-9999 (3) Number of specific fragments= 1 total=2283 # 1fnf.252.252 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 252 :HMHTVASTH 1fnf 1394 :VVSIVALNG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.24079 Ang CA(63) at 10.985 12.656 4.301 in (null):H-9999 (9) and CB(64) at 10.9467 13.0795 5.46664 in (null):H-9999 (9) other bump:2.76973 Ang NE2(27) at 18.8649 8.45107 -8.34699 in (null):H-9999 (3) and CG1(40) at 16.843 8.557 -6.457 in (null):V-9999 (5) Number of specific fragments= 1 total=2284 # 1qbqA.253.254 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 253 :MHTVASTHA 1qbqA 299 :LLDLQPSHS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.90527 Ang CG2(48) at 225.139 108.316 46.2416 in (null):T-9999 (7) and CD2(56) at 223.082 108.753 44.237 in (null):H-9999 (8) other bump:2.48933 Ang CG2(31) at 220.127 106.937 44.164 in (null):V-9999 (4) and CB(54) at 220.595 109.323 44.699 in (null):H-9999 (8) Number of specific fragments= 1 total=2285 # 1et0A.253.253 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 253 :MHTVASTHA 1et0A 274 :SATLYEYLA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82042 Ang CG(13) at -15.5641 28.0542 71.5615 in (null):H-9999 (2) and CB(36) at -13.084 28.552 70.314 in (null):A-9999 (5) other bump:3.01162 Ang ND1(15) at -15.9571 27.6493 70.3015 in (null):H-9999 (2) and CB(36) at -13.084 28.552 70.314 in (null):A-9999 (5) other bump:2.50691 Ang CE1(16) at -14.9619 27.0011 69.7199 in (null):H-9999 (2) and CB(36) at -13.084 28.552 70.314 in (null):A-9999 (5) other bump:1.81266 Ang NE2(17) at -13.938 26.9718 70.5576 in (null):H-9999 (2) and CB(36) at -13.084 28.552 70.314 in (null):A-9999 (5) other bump:2.06915 Ang CD2(14) at -14.2902 27.6228 71.7151 in (null):H-9999 (2) and CB(36) at -13.084 28.552 70.314 in (null):A-9999 (5) other bump:2.71937 Ang SD(6) at -14.2105 31.2022 78.4162 in (null):M-9999 (1) and OG1(24) at -14.366 33.222 76.602 in (null):T-9999 (3) other bump:3.01553 Ang CG(5) at -15.506 30.7123 77.276 in (null):M-9999 (1) and N(20) at -14.355 31.207 74.533 in (null):T-9999 (3) Number of specific fragments= 1 total=2286 # 1k8kB.253.255 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 253 :MHTVASTHA 1k8kB 256 :GERFEAPEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2287 # 1amp.253.254 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 253 :MHTVASTHA 1amp 255 :IHTTQDTLA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.89271 Ang O(0) at 31.417 -11.954 36.727 in (null):G-9999 (0) and OG(42) at 31.4914 -11.3195 34.9454 in (null):S-9999 (6) other bump:2.29264 Ang C(1) at 30.515 -11.153 37.013 in (null):G-9999 (0) and OG(42) at 31.4914 -11.3195 34.9454 in (null):S-9999 (6) other bump:2.88665 Ang CA(3) at 32.164 -9.377 36.972 in (null):M-9999 (1) and OG(42) at 31.4914 -11.3195 34.9454 in (null):S-9999 (6) neighbor-bump: 2.84067 Ang CG(5) at 33.5241 -7.19604 37.2502 in (null):M-9999 (1) and CD2(14) at 35.95 -7.685 38.645 in (null):H-9999 (2) Number of specific fragments= 1 total=2288 # 2bnh.253.253 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 253 :MHTVASTHA 2bnh 253 :LKTLWLWEC Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86163 Ang SD(6) at 17.6566 49.0703 27.66 in (null):M-9999 (1) and CG2(31) at 15.3568 49.4668 26.0039 in (null):V-9999 (4) other bump:2.6516 Ang O(0) at 22.561 51.655 23.515 in (null):G-9999 (0) and CD2(14) at 22.0874 51.5748 20.9073 in (null):H-9999 (2) Number of specific fragments= 1 total=2289 # 1fnf.253.253 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 253 :MHTVASTHA 1fnf 1395 :VSIVALNGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.24079 Ang CA(53) at 10.985 12.656 4.301 in (null):H-9999 (8) and CB(54) at 10.9467 13.0795 5.46664 in (null):H-9999 (8) other bump:2.76973 Ang NE2(17) at 18.8649 8.45107 -8.347 in (null):H-9999 (2) and CG1(30) at 16.843 8.557 -6.457 in (null):V-9999 (4) Number of specific fragments= 1 total=2290 # 1qbqA.254.255 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 254 :HTVASTHAY 1qbqA 300 :LDLQPSHSS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.90527 Ang CG2(40) at 225.139 108.316 46.2416 in (null):T-9999 (6) and CD2(48) at 223.082 108.753 44.237 in (null):H-9999 (7) other bump:2.48932 Ang CG2(23) at 220.127 106.937 44.164 in (null):V-9999 (3) and CB(46) at 220.595 109.323 44.699 in (null):H-9999 (7) Number of specific fragments= 1 total=2291 # 1et0A.254.254 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 254 :HTVASTHAY 1et0A 278 :ATLYEYLAP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2292 # 1k8kB.254.256 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 254 :HTVASTHAY 1k8kB 257 :ERFEAPEAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40731 Ang O(42) at -18.521 31.537 41.484 in (null):T-9999 (6) and CD1(63) at -19.1132 30.9366 39.2293 in (null):Y-9999 (9) Number of specific fragments= 1 total=2293 # 1amp.254.255 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 254 :HTVASTHAY 1amp 256 :HTTQDTLAN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54156 Ang OG1(41) at 29.338 -15.257 29.634 in (null):T-9999 (6) and CD2(64) at 27.5251 -16.0728 31.2175 in (null):Y-9999 (9) Number of specific fragments= 1 total=2294 # 2bnh.254.254 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 254 :HTVASTHAY 2bnh 254 :KTLWLWECD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2295 # 1fnf.254.254 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 254 :HTVASTHAY 1fnf 1396 :SIVALNGRE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.24079 Ang CA(45) at 10.985 12.656 4.301 in (null):H-9999 (7) and CB(46) at 10.9467 13.0795 5.46664 in (null):H-9999 (7) other bump:2.76973 Ang NE2(9) at 18.8649 8.45107 -8.347 in (null):H-9999 (1) and CG1(22) at 16.843 8.557 -6.457 in (null):V-9999 (3) Number of specific fragments= 1 total=2296 # 1qbqA.255.256 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 255 :TVASTHAYS 1qbqA 301 :DLQPSHSSP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.90527 Ang CG2(30) at 225.139 108.316 46.2416 in (null):T-9999 (5) and CD2(38) at 223.082 108.753 44.237 in (null):H-9999 (6) other bump:2.48932 Ang CG2(13) at 220.127 106.937 44.164 in (null):V-9999 (2) and CB(36) at 220.595 109.323 44.699 in (null):H-9999 (6) Number of specific fragments= 1 total=2297 # 1et0A.255.255 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 255 :TVASTHAYS 1et0A 279 :TLYEYLAPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2298 # 1k8kB.255.257 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 255 :TVASTHAYS 1k8kB 258 :RFEAPEALF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.4073 Ang O(32) at -18.521 31.537 41.484 in (null):T-9999 (5) and CD1(53) at -19.1132 30.9366 39.2293 in (null):Y-9999 (8) Number of specific fragments= 1 total=2299 # 1amp.255.256 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 255 :TVASTHAYS 1amp 257 :TTQDTLANS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91103 Ang OG1(31) at 29.338 -15.257 29.634 in (null):T-9999 (5) and CE2(56) at 28.6569 -16.7693 32.0263 in (null):Y-9999 (8) other bump:2.74583 Ang O(19) at 29.801 -14.513 33.094 in (null):A-9999 (3) and CE2(56) at 28.6569 -16.7693 32.0263 in (null):Y-9999 (8) other bump:2.52958 Ang OG1(31) at 29.338 -15.257 29.634 in (null):T-9999 (5) and CD2(54) at 28.3347 -15.4245 31.9501 in (null):Y-9999 (8) other bump:2.0711 Ang O(19) at 29.801 -14.513 33.094 in (null):A-9999 (3) and CD2(54) at 28.3347 -15.4245 31.9501 in (null):Y-9999 (8) other bump:3.11285 Ang C(20) at 30.903 -14.781 33.587 in (null):A-9999 (3) and CD2(54) at 28.3347 -15.4245 31.9501 in (null):Y-9999 (8) Number of specific fragments= 1 total=2300 # 2bnh.255.255 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 255 :TVASTHAYS 2bnh 255 :TLWLWECDI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2301 # 1fnf.255.255 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 255 :TVASTHAYS 1fnf 1397 :IVALNGREE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.24079 Ang CA(35) at 10.985 12.656 4.301 in (null):H-9999 (6) and CB(36) at 10.9467 13.0795 5.46664 in (null):H-9999 (6) Number of specific fragments= 1 total=2302 # 1qbqA.256.257 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 256 :VASTHAYST 1qbqA 302 :LQPSHSSPY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.90527 Ang CG2(23) at 225.139 108.316 46.2416 in (null):T-9999 (4) and CD2(31) at 223.082 108.753 44.237 in (null):H-9999 (5) other bump:2.48934 Ang CG2(6) at 220.127 106.937 44.164 in (null):V-9999 (1) and CB(29) at 220.595 109.323 44.699 in (null):H-9999 (5) Number of specific fragments= 1 total=2303 # 1amp.256.257 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 256 :VASTHAYST 1amp 258 :TQDTLANSD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91103 Ang OG1(24) at 29.338 -15.257 29.634 in (null):T-9999 (4) and CE2(49) at 28.6569 -16.7693 32.0263 in (null):Y-9999 (7) other bump:2.74583 Ang O(12) at 29.801 -14.513 33.094 in (null):A-9999 (2) and CE2(49) at 28.6569 -16.7693 32.0263 in (null):Y-9999 (7) other bump:2.52958 Ang OG1(24) at 29.338 -15.257 29.634 in (null):T-9999 (4) and CD2(47) at 28.3347 -15.4245 31.9501 in (null):Y-9999 (7) other bump:2.0711 Ang O(12) at 29.801 -14.513 33.094 in (null):A-9999 (2) and CD2(47) at 28.3347 -15.4245 31.9501 in (null):Y-9999 (7) other bump:3.11285 Ang C(13) at 30.903 -14.781 33.587 in (null):A-9999 (2) and CD2(47) at 28.3347 -15.4245 31.9501 in (null):Y-9999 (7) Number of specific fragments= 1 total=2304 # 1et0A.256.256 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 256 :VASTHAYST 1et0A 280 :LYEYLAPLC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2305 # 1k8kB.256.258 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 256 :VASTHAYST 1k8kB 259 :FEAPEALFQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5548 Ang ND1(32) at -16.2943 34.9523 45.9233 in (null):H-9999 (5) and OG1(64) at -16.5184 36.7419 44.1138 in (null):T-9999 (9) other bump:3.04752 Ang CE1(33) at -16.7716 35.7475 46.867 in (null):H-9999 (5) and CG2(63) at -17.8938 38.1863 45.4247 in (null):T-9999 (9) other bump:2.4073 Ang O(25) at -18.521 31.537 41.484 in (null):T-9999 (4) and CD1(46) at -19.1132 30.9366 39.2293 in (null):Y-9999 (7) Number of specific fragments= 1 total=2306 # 2bnh.256.256 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 256 :VASTHAYST 2bnh 256 :LWLWECDIT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2307 # 1fnf.256.256 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 256 :VASTHAYST 1fnf 1398 :VALNGREES Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6088 Ang N(9) at 12.455 7.745 -5.315 in (null):A-9999 (2) and OG1(64) at 13.6278 5.54281 -4.55296 in (null):T-9999 (9) self-bump: 1.24079 Ang CA(28) at 10.985 12.656 4.301 in (null):H-9999 (5) and CB(29) at 10.9467 13.0795 5.46664 in (null):H-9999 (5) Number of specific fragments= 1 total=2308 # 1qbqA.257.258 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 257 :ASTHAYSTL 1qbqA 303 :QPSHSSPYL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.90527 Ang CG2(16) at 225.139 108.316 46.2416 in (null):T-9999 (3) and CD2(24) at 223.082 108.753 44.237 in (null):H-9999 (4) Number of specific fragments= 1 total=2309 # 1amp.257.258 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 257 :ASTHAYSTL 1amp 259 :QDTLANSDP Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56024 Ang C(29) at 28.132 -12.479 26.425 in (null):H-9999 (4) and CD2(65) at 26.7421 -13.2987 24.4372 in (null):L-9999 (9) other bump:2.43893 Ang N(30) at 27.911 -13.797 26.519 in (null):A-9999 (5) and CD2(65) at 26.7421 -13.2987 24.4372 in (null):L-9999 (9) other bump:2.45752 Ang CA(31) at 26.585 -14.387 26.635 in (null):A-9999 (5) and CD2(65) at 26.7421 -13.2987 24.4372 in (null):L-9999 (9) other bump:3.02432 Ang CA(31) at 26.585 -14.387 26.635 in (null):A-9999 (5) and CG(63) at 25.2409 -13.0835 24.26 in (null):L-9999 (9) other bump:2.91103 Ang OG1(17) at 29.338 -15.257 29.634 in (null):T-9999 (3) and CE2(42) at 28.6569 -16.7693 32.0263 in (null):Y-9999 (6) other bump:2.74583 Ang O(5) at 29.801 -14.513 33.094 in (null):A-9999 (1) and CE2(42) at 28.6569 -16.7693 32.0263 in (null):Y-9999 (6) other bump:2.52958 Ang OG1(17) at 29.338 -15.257 29.634 in (null):T-9999 (3) and CD2(40) at 28.3347 -15.4245 31.9501 in (null):Y-9999 (6) other bump:2.0711 Ang O(5) at 29.801 -14.513 33.094 in (null):A-9999 (1) and CD2(40) at 28.3347 -15.4245 31.9501 in (null):Y-9999 (6) other bump:3.11285 Ang C(6) at 30.903 -14.781 33.587 in (null):A-9999 (1) and CD2(40) at 28.3347 -15.4245 31.9501 in (null):Y-9999 (6) Number of specific fragments= 1 total=2310 # 1et0A.257.257 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 257 :ASTHAYST 1et0A 281 :YEYLAPLC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=2311 # 1k8kB.257.259 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 257 :ASTHAYSTL 1k8kB 260 :EAPEALFQP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55479 Ang ND1(25) at -16.2943 34.9523 45.9233 in (null):H-9999 (4) and OG1(57) at -16.5184 36.7419 44.1138 in (null):T-9999 (8) other bump:3.0475 Ang CE1(26) at -16.7716 35.7475 46.867 in (null):H-9999 (4) and CG2(56) at -17.8938 38.1863 45.4247 in (null):T-9999 (8) other bump:2.4073 Ang O(18) at -18.521 31.537 41.484 in (null):T-9999 (3) and CD1(39) at -19.1132 30.9366 39.2293 in (null):Y-9999 (6) Number of specific fragments= 1 total=2312 # 2bnh.257.257 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 257 :ASTHAYSTL 2bnh 257 :WLWECDITA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2313 # 1fnf.257.257 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 257 :ASTHAYSTL 1fnf 1399 :ALNGREESP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50851 Ang N(2) at 12.455 7.745 -5.315 in (null):A-9999 (1) and OG1(57) at 13.7443 5.72865 -4.56349 in (null):T-9999 (8) self-bump: 1.24079 Ang CA(21) at 10.985 12.656 4.301 in (null):H-9999 (4) and CB(22) at 10.9467 13.0795 5.46664 in (null):H-9999 (4) Number of specific fragments= 1 total=2314 # 1qbqA.258.259 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 258 :STHAYSTLS 1qbqA 304 :PSHSSPYLI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.90527 Ang CG2(11) at 225.139 108.316 46.2416 in (null):T-9999 (2) and CD2(19) at 223.082 108.753 44.237 in (null):H-9999 (3) Number of specific fragments= 1 total=2315 # 1amp.258.259 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 258 :STHAYSTLS 1amp 260 :DTLANSDPT Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76668 Ang C(24) at 28.132 -12.479 26.425 in (null):H-9999 (3) and CD2(60) at 26.7764 -13.3433 24.1734 in (null):L-9999 (8) other bump:2.64483 Ang N(25) at 27.911 -13.797 26.519 in (null):A-9999 (4) and CD2(60) at 26.7764 -13.3433 24.1734 in (null):L-9999 (8) other bump:2.68057 Ang CA(26) at 26.585 -14.387 26.635 in (null):A-9999 (4) and CD2(60) at 26.7764 -13.3433 24.1734 in (null):L-9999 (8) other bump:2.97177 Ang CA(26) at 26.585 -14.387 26.635 in (null):A-9999 (4) and CD1(59) at 24.5321 -14.3852 24.4863 in (null):L-9999 (8) other bump:2.91284 Ang CA(26) at 26.585 -14.387 26.635 in (null):A-9999 (4) and CG(58) at 25.2892 -13.0801 24.3772 in (null):L-9999 (8) other bump:2.91103 Ang OG1(12) at 29.338 -15.257 29.634 in (null):T-9999 (2) and CE2(37) at 28.6569 -16.7693 32.0263 in (null):Y-9999 (5) other bump:2.74583 Ang O(0) at 29.801 -14.513 33.094 in (null):G-9999 (0) and CE2(37) at 28.6569 -16.7693 32.0263 in (null):Y-9999 (5) other bump:2.52958 Ang OG1(12) at 29.338 -15.257 29.634 in (null):T-9999 (2) and CD2(35) at 28.3347 -15.4245 31.9501 in (null):Y-9999 (5) other bump:3.11285 Ang C(1) at 30.903 -14.781 33.587 in (null):G-9999 (0) and CD2(35) at 28.3347 -15.4245 31.9501 in (null):Y-9999 (5) other bump:2.0711 Ang O(0) at 29.801 -14.513 33.094 in (null):G-9999 (0) and CD2(35) at 28.3347 -15.4245 31.9501 in (null):Y-9999 (5) Number of specific fragments= 1 total=2316 # 1k8kB.258.260 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 258 :STHAYSTLS 1k8kB 261 :APEALFQPH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55478 Ang ND1(20) at -16.2943 34.9523 45.9232 in (null):H-9999 (3) and OG1(52) at -16.5184 36.7419 44.1138 in (null):T-9999 (7) other bump:3.0475 Ang CE1(21) at -16.7716 35.7475 46.867 in (null):H-9999 (3) and CG2(51) at -17.8938 38.1863 45.4247 in (null):T-9999 (7) other bump:2.4073 Ang O(13) at -18.521 31.537 41.484 in (null):T-9999 (2) and CD1(34) at -19.1132 30.9366 39.2293 in (null):Y-9999 (5) Number of specific fragments= 1 total=2317 # 1et0A.258.258 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 258 :STHAYST 1et0A 282 :EYLAPLC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 1 total=2318 # 2bnh.258.258 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 258 :STHAYSTLS 2bnh 258 :LWECDITAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2319 # 1fnf.258.258 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 258 :STHAYSTLS 1fnf 1400 :LNGREESPL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.24079 Ang CA(16) at 10.985 12.656 4.301 in (null):H-9999 (3) and CB(17) at 10.9467 13.0795 5.46664 in (null):H-9999 (3) Number of specific fragments= 1 total=2320 # 1qbqA.259.260 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 259 :THAYSTLSD 1qbqA 305 :SHSSPYLIA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.90525 Ang CG2(5) at 225.139 108.316 46.2416 in (null):T-9999 (1) and CD2(13) at 223.082 108.753 44.237 in (null):H-9999 (2) Number of specific fragments= 1 total=2321 # 1amp.259.260 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 259 :THAYSTLSD 1amp 261 :TLANSDPTG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76668 Ang C(18) at 28.132 -12.479 26.425 in (null):H-9999 (2) and CD2(54) at 26.7764 -13.3433 24.1734 in (null):L-9999 (7) other bump:2.64483 Ang N(19) at 27.911 -13.797 26.519 in (null):A-9999 (3) and CD2(54) at 26.7764 -13.3433 24.1734 in (null):L-9999 (7) other bump:2.68057 Ang CA(20) at 26.585 -14.387 26.635 in (null):A-9999 (3) and CD2(54) at 26.7764 -13.3433 24.1734 in (null):L-9999 (7) other bump:2.97177 Ang CA(20) at 26.585 -14.387 26.635 in (null):A-9999 (3) and CD1(53) at 24.5321 -14.3852 24.4863 in (null):L-9999 (7) other bump:2.91284 Ang CA(20) at 26.585 -14.387 26.635 in (null):A-9999 (3) and CG(52) at 25.2892 -13.0801 24.3772 in (null):L-9999 (7) other bump:2.91103 Ang OG1(6) at 29.338 -15.257 29.634 in (null):T-9999 (1) and CE2(31) at 28.6569 -16.7693 32.0263 in (null):Y-9999 (4) other bump:2.52958 Ang OG1(6) at 29.338 -15.257 29.634 in (null):T-9999 (1) and CD2(29) at 28.3347 -15.4245 31.9501 in (null):Y-9999 (4) Number of specific fragments= 1 total=2322 # 1k8kB.259.261 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 259 :THAYSTLSD 1k8kB 262 :PEALFQPHL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.34766 Ang OG1(46) at -16.5184 36.7419 44.1138 in (null):T-9999 (6) and OD1(67) at -14.2183 36.5769 44.5542 in (null):D-9999 (9) other bump:2.55479 Ang ND1(14) at -16.2943 34.9523 45.9233 in (null):H-9999 (2) and OG1(46) at -16.5184 36.7419 44.1138 in (null):T-9999 (6) other bump:3.0475 Ang CE1(15) at -16.7716 35.7475 46.867 in (null):H-9999 (2) and CG2(45) at -17.8938 38.1863 45.4247 in (null):T-9999 (6) other bump:2.4073 Ang O(7) at -18.521 31.537 41.484 in (null):T-9999 (1) and CD1(28) at -19.1132 30.9366 39.2293 in (null):Y-9999 (4) Number of specific fragments= 1 total=2323 # 1et0A.259.259 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 259 :THAYST 1et0A 283 :YLAPLC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 1 total=2324 # 2bnh.259.259 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 259 :THAYSTLSD 2bnh 259 :WECDITASG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2325 # 1fnf.259.259 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 259 :THAYSTLSD 1fnf 1401 :NGREESPLL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72556 Ang OG1(6) at 11.1002 7.62481 2.20409 in (null):T-9999 (1) and CB(26) at 13.3617 7.56463 3.72412 in (null):Y-9999 (4) self-bump: 1.24079 Ang CA(10) at 10.985 12.656 4.301 in (null):H-9999 (2) and CB(11) at 10.9467 13.0795 5.46663 in (null):H-9999 (2) Number of specific fragments= 1 total=2326 # 1qbqA.260.261 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 260 :HAYSTLSDY 1qbqA 306 :HSSPYLIAF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2327 # 1amp.260.261 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 260 :HAYSTLSDY 1amp 262 :LANSDPTGS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68057 Ang CA(13) at 26.585 -14.387 26.635 in (null):A-9999 (2) and CD2(47) at 26.7764 -13.3433 24.1734 in (null):L-9999 (6) other bump:2.76668 Ang C(11) at 28.132 -12.479 26.425 in (null):H-9999 (1) and CD2(47) at 26.7764 -13.3433 24.1734 in (null):L-9999 (6) other bump:2.64483 Ang N(12) at 27.911 -13.797 26.519 in (null):A-9999 (2) and CD2(47) at 26.7764 -13.3433 24.1734 in (null):L-9999 (6) other bump:2.97177 Ang CA(13) at 26.585 -14.387 26.635 in (null):A-9999 (2) and CD1(46) at 24.5321 -14.3852 24.4863 in (null):L-9999 (6) other bump:2.91284 Ang CA(13) at 26.585 -14.387 26.635 in (null):A-9999 (2) and CG(45) at 25.2892 -13.0801 24.3772 in (null):L-9999 (6) Number of specific fragments= 1 total=2328 # 1k8kB.260.262 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 260 :HAYSTLSDY 1k8kB 263 :EALFQPHLI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21236 Ang CD2(47) at -17.5475 38.1758 37.1084 in (null):L-9999 (6) and OH(73) at -16.1726 37.8912 35.3987 in (null):Y-9999 (9) other bump:2.84488 Ang CD2(47) at -17.5475 38.1758 37.1084 in (null):L-9999 (6) and CZ(72) at -14.9878 37.5526 36.0346 in (null):Y-9999 (9) other bump:2.82185 Ang CD2(47) at -17.5475 38.1758 37.1084 in (null):L-9999 (6) and CE2(71) at -15.0191 36.9343 37.2777 in (null):Y-9999 (9) other bump:2.55479 Ang ND1(7) at -16.2943 34.9523 45.9233 in (null):H-9999 (1) and OG1(39) at -16.5184 36.7419 44.1138 in (null):T-9999 (5) other bump:3.04749 Ang CE1(8) at -16.7716 35.7475 46.867 in (null):H-9999 (1) and CG2(38) at -17.8938 38.1863 45.4247 in (null):T-9999 (5) other bump:2.4073 Ang O(0) at -18.521 31.537 41.484 in (null):G-9999 (0) and CD1(21) at -19.1132 30.9366 39.2293 in (null):Y-9999 (3) Number of specific fragments= 1 total=2329 # 1et0A.260.260 read from T0147_twice.t2k.frag # found chain 1et0A in template set T0147_twice 260 :HAYST 1et0A 284 :LAPLC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 1 total=2330 # 2bnh.260.260 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 260 :HAYSTLSDY 2bnh 260 :ECDITASGC Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00453 Ang C(41) at 0.245 51.644 31.95 in (null):T-9999 (5) and CE2(71) at 0.939595 50.9088 29.1208 in (null):Y-9999 (9) other bump:3.15306 Ang CA(43) at -0.553 53.859 31.378 in (null):L-9999 (6) and CD2(69) at 1.29957 52.2128 29.4287 in (null):Y-9999 (9) other bump:2.596 Ang O(40) at 1.423 52.026 32.015 in (null):T-9999 (5) and CD2(69) at 1.29957 52.2128 29.4287 in (null):Y-9999 (9) other bump:2.79156 Ang C(41) at 0.245 51.644 31.95 in (null):T-9999 (5) and CD2(69) at 1.29957 52.2128 29.4287 in (null):Y-9999 (9) Number of specific fragments= 1 total=2331 # 1fnf.260.260 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 260 :HAYSTLSDY 1fnf 1402 :GREESPLLI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.24079 Ang CA(3) at 10.985 12.656 4.301 in (null):H-9999 (1) and CB(4) at 10.9467 13.0795 5.46663 in (null):H-9999 (1) Number of specific fragments= 1 total=2332 # 1qbqA.261.262 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 261 :AYSTLSDYI 1qbqA 307 :SSPYLIAFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2333 # 1amp.261.262 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 261 :AYSTLSDYI 1amp 263 :ANSDPTGSH Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76668 Ang C(1) at 28.132 -12.479 26.425 in (null):G-9999 (0) and CD2(37) at 26.7764 -13.3433 24.1734 in (null):L-9999 (5) other bump:2.64483 Ang N(2) at 27.911 -13.797 26.519 in (null):A-9999 (1) and CD2(37) at 26.7764 -13.3433 24.1734 in (null):L-9999 (5) other bump:2.68057 Ang CA(3) at 26.585 -14.387 26.635 in (null):A-9999 (1) and CD2(37) at 26.7764 -13.3433 24.1734 in (null):L-9999 (5) other bump:2.97177 Ang CA(3) at 26.585 -14.387 26.635 in (null):A-9999 (1) and CD1(36) at 24.5321 -14.3852 24.4863 in (null):L-9999 (5) other bump:2.91284 Ang CA(3) at 26.585 -14.387 26.635 in (null):A-9999 (1) and CG(35) at 25.2892 -13.0801 24.3772 in (null):L-9999 (5) Number of specific fragments= 1 total=2334 # 1k8kB.261.263 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 261 :AYSTLSDYI 1k8kB 264 :ALFQPHLIN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21236 Ang CD2(37) at -17.5475 38.1758 37.1084 in (null):L-9999 (5) and OH(63) at -16.1726 37.8911 35.3987 in (null):Y-9999 (8) other bump:2.84488 Ang CD2(37) at -17.5475 38.1758 37.1084 in (null):L-9999 (5) and CZ(62) at -14.9878 37.5526 36.0346 in (null):Y-9999 (8) other bump:2.82186 Ang CD2(37) at -17.5475 38.1758 37.1084 in (null):L-9999 (5) and CE2(61) at -15.0191 36.9343 37.2777 in (null):Y-9999 (8) Number of specific fragments= 1 total=2335 # 2bnh.261.261 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 261 :AYSTLSDYI 2bnh 261 :CDITASGCR Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66281 Ang CD1(36) at -1.41733 55.6214 29.0012 in (null):L-9999 (5) and OH(63) at -1.03496 58.2564 28.9712 in (null):Y-9999 (8) other bump:2.5644 Ang CG(35) at -1.80631 55.9141 30.4365 in (null):L-9999 (5) and CZ(62) at -0.0890625 57.2645 29.0935 in (null):Y-9999 (8) other bump:2.11489 Ang CD1(36) at -1.41733 55.6214 29.0012 in (null):L-9999 (5) and CZ(62) at -0.0890625 57.2645 29.0935 in (null):Y-9999 (8) other bump:2.78342 Ang CA(33) at -0.553 53.859 31.378 in (null):L-9999 (5) and CE2(61) at -0.258035 56.2194 29.9326 in (null):Y-9999 (8) other bump:2.61808 Ang CB(34) at -1.87439 54.6033 31.2094 in (null):L-9999 (5) and CE2(61) at -0.258035 56.2194 29.9326 in (null):Y-9999 (8) other bump:3.08968 Ang C(39) at 0.322 54.547 32.465 in (null):L-9999 (5) and CE2(61) at -0.258035 56.2194 29.9326 in (null):Y-9999 (8) other bump:1.65658 Ang CG(35) at -1.80631 55.9141 30.4365 in (null):L-9999 (5) and CE2(61) at -0.258035 56.2194 29.9326 in (null):Y-9999 (8) other bump:1.60283 Ang CD1(36) at -1.41733 55.6214 29.0012 in (null):L-9999 (5) and CE2(61) at -0.258035 56.2194 29.9326 in (null):Y-9999 (8) other bump:2.97836 Ang CD2(37) at -3.15771 56.5947 30.4998 in (null):L-9999 (5) and CE2(61) at -0.258035 56.2194 29.9326 in (null):Y-9999 (8) other bump:2.84355 Ang O(38) at 1.257 55.299 32.156 in (null):L-9999 (5) and CE2(61) at -0.258035 56.2194 29.9326 in (null):Y-9999 (8) other bump:2.30478 Ang CA(33) at -0.553 53.859 31.378 in (null):L-9999 (5) and CD2(59) at 0.720857 55.2147 30.0174 in (null):Y-9999 (8) other bump:2.92062 Ang CB(34) at -1.87439 54.6033 31.2094 in (null):L-9999 (5) and CD2(59) at 0.720857 55.2147 30.0174 in (null):Y-9999 (8) other bump:2.56823 Ang C(39) at 0.322 54.547 32.465 in (null):L-9999 (5) and CD2(59) at 0.720857 55.2147 30.0174 in (null):Y-9999 (8) other bump:2.65544 Ang CG(35) at -1.80631 55.9141 30.4365 in (null):L-9999 (5) and CD2(59) at 0.720857 55.2147 30.0174 in (null):Y-9999 (8) other bump:2.40203 Ang CD1(36) at -1.41733 55.6214 29.0012 in (null):L-9999 (5) and CD2(59) at 0.720857 55.2147 30.0174 in (null):Y-9999 (8) other bump:2.2064 Ang O(38) at 1.257 55.299 32.156 in (null):L-9999 (5) and CD2(59) at 0.720857 55.2147 30.0174 in (null):Y-9999 (8) Number of specific fragments= 1 total=2336 # 1fnf.261.261 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 261 :AYSTLSDYI 1fnf 1403 :REESPLLIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2337 # 2bnh.261.263 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 261 :AYSTLSDYI 2bnh 263 :ITASGCRDL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.99305 Ang CA(3) at 2.771 47.693 32.685 in (null):A-9999 (1) and CD1(36) at 4.12591 49.3083 34.8095 in (null):L-9999 (5) Number of specific fragments= 1 total=2338 # 1qbqA.262.263 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 262 :YSTLSDYIA 1qbqA 308 :SPYLIAFLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2339 # 1amp.262.263 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 262 :YSTLSDYIA 1amp 264 :NSDPTGSHA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01399 Ang OG1(24) at 23.0111 -6.69334 26.9552 in (null):T-9999 (3) and CD1(66) at 22.5921 -3.80722 27.7161 in (null):I-9999 (8) Number of specific fragments= 1 total=2340 # 1k8kB.262.264 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 262 :YSTLSDYIA 1k8kB 265 :LFQPHLINV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64526 Ang CE1(55) at -13.7658 37.8206 35.4225 in (null):Y-9999 (7) and CB(71) at -14.035 40.437 35.704 in (null):A-9999 (9) other bump:2.21236 Ang CD2(32) at -17.5475 38.1758 37.1084 in (null):L-9999 (4) and OH(58) at -16.1726 37.8912 35.3987 in (null):Y-9999 (7) other bump:2.84487 Ang CD2(32) at -17.5475 38.1758 37.1084 in (null):L-9999 (4) and CZ(57) at -14.9878 37.5526 36.0346 in (null):Y-9999 (7) other bump:2.82185 Ang CD2(32) at -17.5475 38.1758 37.1084 in (null):L-9999 (4) and CE2(56) at -15.0191 36.9343 37.2777 in (null):Y-9999 (7) Number of specific fragments= 1 total=2341 # 2bnh.262.262 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 262 :YSTLSDYIA 2bnh 262 :DITASGCRD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66281 Ang CD1(31) at -1.41733 55.6214 29.0012 in (null):L-9999 (4) and OH(58) at -1.03496 58.2564 28.9712 in (null):Y-9999 (7) other bump:2.5644 Ang CG(30) at -1.80631 55.9141 30.4365 in (null):L-9999 (4) and CZ(57) at -0.0890625 57.2645 29.0935 in (null):Y-9999 (7) other bump:2.11489 Ang CD1(31) at -1.41733 55.6214 29.0012 in (null):L-9999 (4) and CZ(57) at -0.0890625 57.2645 29.0935 in (null):Y-9999 (7) other bump:2.78342 Ang CA(28) at -0.553 53.859 31.378 in (null):L-9999 (4) and CE2(56) at -0.258035 56.2194 29.9326 in (null):Y-9999 (7) other bump:2.61808 Ang CB(29) at -1.87439 54.6033 31.2094 in (null):L-9999 (4) and CE2(56) at -0.258035 56.2194 29.9326 in (null):Y-9999 (7) other bump:3.08968 Ang C(34) at 0.322 54.547 32.465 in (null):L-9999 (4) and CE2(56) at -0.258035 56.2194 29.9326 in (null):Y-9999 (7) other bump:1.65658 Ang CG(30) at -1.80631 55.9141 30.4365 in (null):L-9999 (4) and CE2(56) at -0.258035 56.2194 29.9326 in (null):Y-9999 (7) other bump:1.60283 Ang CD1(31) at -1.41733 55.6214 29.0012 in (null):L-9999 (4) and CE2(56) at -0.258035 56.2194 29.9326 in (null):Y-9999 (7) other bump:2.97836 Ang CD2(32) at -3.15771 56.5947 30.4998 in (null):L-9999 (4) and CE2(56) at -0.258035 56.2194 29.9326 in (null):Y-9999 (7) other bump:2.84355 Ang O(33) at 1.257 55.299 32.156 in (null):L-9999 (4) and CE2(56) at -0.258035 56.2194 29.9326 in (null):Y-9999 (7) other bump:2.30478 Ang CA(28) at -0.553 53.859 31.378 in (null):L-9999 (4) and CD2(54) at 0.720857 55.2147 30.0174 in (null):Y-9999 (7) other bump:2.92062 Ang CB(29) at -1.87439 54.6033 31.2094 in (null):L-9999 (4) and CD2(54) at 0.720857 55.2147 30.0174 in (null):Y-9999 (7) other bump:2.56823 Ang C(34) at 0.322 54.547 32.465 in (null):L-9999 (4) and CD2(54) at 0.720857 55.2147 30.0174 in (null):Y-9999 (7) other bump:2.65544 Ang CG(30) at -1.80631 55.9141 30.4365 in (null):L-9999 (4) and CD2(54) at 0.720857 55.2147 30.0174 in (null):Y-9999 (7) other bump:2.40203 Ang CD1(31) at -1.41733 55.6214 29.0012 in (null):L-9999 (4) and CD2(54) at 0.720857 55.2147 30.0174 in (null):Y-9999 (7) other bump:2.2064 Ang O(33) at 1.257 55.299 32.156 in (null):L-9999 (4) and CD2(54) at 0.720857 55.2147 30.0174 in (null):Y-9999 (7) Number of specific fragments= 1 total=2342 # 1fnf.262.262 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 262 :YSTLSDYIA 1fnf 1404 :EESPLLIGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2343 # 1dryA.262.262 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 262 :YSTLSDYIA 1dryA 263 :YLEPGDLLI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.99542 Ang O(33) at -19.153 3.691 13.679 in (null):L-9999 (4) and CB(37) at -18.9505 2.45997 15.2363 in (null):S-9999 (5) neighbor-bump: 2.44581 Ang C(34) at -18.09 4.285 13.854 in (null):L-9999 (4) and CB(37) at -18.9505 2.45997 15.2363 in (null):S-9999 (5) self-bump: 1.28137 Ang CA(28) at -17.837 5.633 13.21 in (null):L-9999 (4) and CB(29) at -17.1349 6.29523 14.0529 in (null):L-9999 (4) Number of specific fragments= 1 total=2344 # 1qbqA.263.264 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 263 :STLSDYIAQ 1qbqA 309 :PYLIAFLVD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2345 # 1amp.263.264 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 263 :STLSDYIAQ 1amp 265 :SDPTGSHAK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01399 Ang OG1(12) at 23.0111 -6.69334 26.9552 in (null):T-9999 (2) and CD1(54) at 22.5921 -3.80722 27.7161 in (null):I-9999 (7) Number of specific fragments= 1 total=2346 # 1k8kB.263.265 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 263 :STLSDYIAQ 1k8kB 266 :FQPHLINVE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64526 Ang CE1(43) at -13.7658 37.8206 35.4225 in (null):Y-9999 (6) and CB(59) at -14.035 40.437 35.704 in (null):A-9999 (8) other bump:2.21236 Ang CD2(20) at -17.5475 38.1758 37.1084 in (null):L-9999 (3) and OH(46) at -16.1726 37.8912 35.3987 in (null):Y-9999 (6) other bump:2.84487 Ang CD2(20) at -17.5475 38.1758 37.1084 in (null):L-9999 (3) and CZ(45) at -14.9878 37.5526 36.0346 in (null):Y-9999 (6) other bump:2.82185 Ang CD2(20) at -17.5475 38.1758 37.1084 in (null):L-9999 (3) and CE2(44) at -15.0191 36.9343 37.2777 in (null):Y-9999 (6) Number of specific fragments= 1 total=2347 # 2bnh.263.263 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 263 :STLSDYIAQ 2bnh 263 :ITASGCRDL Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66281 Ang CD1(19) at -1.41733 55.6214 29.0012 in (null):L-9999 (3) and OH(46) at -1.03496 58.2564 28.9712 in (null):Y-9999 (6) other bump:2.5644 Ang CG(18) at -1.80631 55.9141 30.4365 in (null):L-9999 (3) and CZ(45) at -0.0890625 57.2645 29.0935 in (null):Y-9999 (6) other bump:2.11489 Ang CD1(19) at -1.41733 55.6214 29.0012 in (null):L-9999 (3) and CZ(45) at -0.0890625 57.2645 29.0935 in (null):Y-9999 (6) other bump:2.78342 Ang CA(16) at -0.553 53.859 31.378 in (null):L-9999 (3) and CE2(44) at -0.258035 56.2194 29.9326 in (null):Y-9999 (6) other bump:2.61808 Ang CB(17) at -1.87439 54.6033 31.2094 in (null):L-9999 (3) and CE2(44) at -0.258035 56.2194 29.9326 in (null):Y-9999 (6) other bump:1.65658 Ang CG(18) at -1.80631 55.9141 30.4365 in (null):L-9999 (3) and CE2(44) at -0.258035 56.2194 29.9326 in (null):Y-9999 (6) other bump:1.60283 Ang CD1(19) at -1.41733 55.6214 29.0012 in (null):L-9999 (3) and CE2(44) at -0.258035 56.2194 29.9326 in (null):Y-9999 (6) other bump:2.84355 Ang O(21) at 1.257 55.299 32.156 in (null):L-9999 (3) and CE2(44) at -0.258035 56.2194 29.9326 in (null):Y-9999 (6) other bump:3.08968 Ang C(22) at 0.322 54.547 32.465 in (null):L-9999 (3) and CE2(44) at -0.258035 56.2194 29.9326 in (null):Y-9999 (6) other bump:2.97836 Ang CD2(20) at -3.15771 56.5947 30.4998 in (null):L-9999 (3) and CE2(44) at -0.258035 56.2194 29.9326 in (null):Y-9999 (6) other bump:2.30478 Ang CA(16) at -0.553 53.859 31.378 in (null):L-9999 (3) and CD2(42) at 0.720857 55.2147 30.0174 in (null):Y-9999 (6) other bump:2.92062 Ang CB(17) at -1.87439 54.6033 31.2094 in (null):L-9999 (3) and CD2(42) at 0.720857 55.2147 30.0174 in (null):Y-9999 (6) other bump:2.65544 Ang CG(18) at -1.80631 55.9141 30.4365 in (null):L-9999 (3) and CD2(42) at 0.720857 55.2147 30.0174 in (null):Y-9999 (6) other bump:2.40203 Ang CD1(19) at -1.41733 55.6214 29.0012 in (null):L-9999 (3) and CD2(42) at 0.720857 55.2147 30.0174 in (null):Y-9999 (6) other bump:2.2064 Ang O(21) at 1.257 55.299 32.156 in (null):L-9999 (3) and CD2(42) at 0.720857 55.2147 30.0174 in (null):Y-9999 (6) other bump:2.56823 Ang C(22) at 0.322 54.547 32.465 in (null):L-9999 (3) and CD2(42) at 0.720857 55.2147 30.0174 in (null):Y-9999 (6) Number of specific fragments= 1 total=2348 # 1fnf.263.263 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 263 :STLSDYIAQ 1fnf 1405 :ESPLLIGQQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2349 # 1dryA.263.263 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 263 :STLSDYIAQ 1dryA 264 :LEPGDLLIV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.99542 Ang O(21) at -19.153 3.691 13.679 in (null):L-9999 (3) and CB(25) at -18.9505 2.45997 15.2363 in (null):S-9999 (4) neighbor-bump: 2.4458 Ang C(22) at -18.09 4.285 13.854 in (null):L-9999 (3) and CB(25) at -18.9505 2.45997 15.2363 in (null):S-9999 (4) self-bump: 1.28137 Ang CA(16) at -17.837 5.633 13.21 in (null):L-9999 (3) and CB(17) at -17.1349 6.29523 14.0529 in (null):L-9999 (3) Number of specific fragments= 1 total=2350 # 1qbqA.264.265 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 264 :TLSDYIAQA 1qbqA 310 :YLIAFLVDI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2351 # 1amp.264.265 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 264 :TLSDYIAQA 1amp 266 :DPTGSHAKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2352 # 1k8kB.264.266 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 264 :TLSDYIAQA 1k8kB 267 :QPHLINVEG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32225 Ang CD1(13) at -18.7062 40.3806 36.98 in (null):L-9999 (2) and CB(67) at -18.9552 42.6641 36.6381 in (null):A-9999 (9) other bump:2.64527 Ang CE1(37) at -13.7658 37.8206 35.4225 in (null):Y-9999 (5) and CB(53) at -14.035 40.437 35.704 in (null):A-9999 (7) other bump:2.21235 Ang CD2(14) at -17.5475 38.1758 37.1084 in (null):L-9999 (2) and OH(40) at -16.1726 37.8912 35.3987 in (null):Y-9999 (5) other bump:2.84487 Ang CD2(14) at -17.5475 38.1758 37.1084 in (null):L-9999 (2) and CZ(39) at -14.9878 37.5526 36.0346 in (null):Y-9999 (5) other bump:2.82184 Ang CD2(14) at -17.5475 38.1758 37.1084 in (null):L-9999 (2) and CE2(38) at -15.0191 36.9343 37.2777 in (null):Y-9999 (5) Number of specific fragments= 1 total=2353 # 2bnh.264.264 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 264 :TLSDYIAQA 2bnh 264 :TASGCRDLC Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66281 Ang CD1(13) at -1.41733 55.6214 29.0012 in (null):L-9999 (2) and OH(40) at -1.03496 58.2564 28.9712 in (null):Y-9999 (5) other bump:2.5644 Ang CG(12) at -1.80631 55.9141 30.4365 in (null):L-9999 (2) and CZ(39) at -0.0890625 57.2645 29.0935 in (null):Y-9999 (5) other bump:2.11489 Ang CD1(13) at -1.41733 55.6214 29.0012 in (null):L-9999 (2) and CZ(39) at -0.0890625 57.2645 29.0935 in (null):Y-9999 (5) other bump:2.78342 Ang CA(10) at -0.553 53.859 31.378 in (null):L-9999 (2) and CE2(38) at -0.258035 56.2194 29.9326 in (null):Y-9999 (5) other bump:2.61808 Ang CB(11) at -1.87439 54.6033 31.2094 in (null):L-9999 (2) and CE2(38) at -0.258035 56.2194 29.9326 in (null):Y-9999 (5) other bump:1.65658 Ang CG(12) at -1.80631 55.9141 30.4365 in (null):L-9999 (2) and CE2(38) at -0.258035 56.2194 29.9326 in (null):Y-9999 (5) other bump:1.60283 Ang CD1(13) at -1.41733 55.6214 29.0012 in (null):L-9999 (2) and CE2(38) at -0.258035 56.2194 29.9326 in (null):Y-9999 (5) other bump:2.97836 Ang CD2(14) at -3.15771 56.5947 30.4998 in (null):L-9999 (2) and CE2(38) at -0.258035 56.2194 29.9326 in (null):Y-9999 (5) other bump:2.84355 Ang O(15) at 1.257 55.299 32.156 in (null):L-9999 (2) and CE2(38) at -0.258035 56.2194 29.9326 in (null):Y-9999 (5) other bump:3.08968 Ang C(16) at 0.322 54.547 32.465 in (null):L-9999 (2) and CE2(38) at -0.258035 56.2194 29.9326 in (null):Y-9999 (5) other bump:2.30478 Ang CA(10) at -0.553 53.859 31.378 in (null):L-9999 (2) and CD2(36) at 0.720857 55.2147 30.0174 in (null):Y-9999 (5) other bump:2.92062 Ang CB(11) at -1.87439 54.6033 31.2094 in (null):L-9999 (2) and CD2(36) at 0.720857 55.2147 30.0174 in (null):Y-9999 (5) other bump:2.65544 Ang CG(12) at -1.80631 55.9141 30.4365 in (null):L-9999 (2) and CD2(36) at 0.720857 55.2147 30.0174 in (null):Y-9999 (5) other bump:2.40203 Ang CD1(13) at -1.41733 55.6214 29.0012 in (null):L-9999 (2) and CD2(36) at 0.720857 55.2147 30.0174 in (null):Y-9999 (5) other bump:2.2064 Ang O(15) at 1.257 55.299 32.156 in (null):L-9999 (2) and CD2(36) at 0.720857 55.2147 30.0174 in (null):Y-9999 (5) other bump:2.56823 Ang C(16) at 0.322 54.547 32.465 in (null):L-9999 (2) and CD2(36) at 0.720857 55.2147 30.0174 in (null):Y-9999 (5) Number of specific fragments= 1 total=2354 # 1fnf.264.264 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 264 :TLSDYIAQA 1fnf 1406 :SPLLIGQQS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2355 # 1dryA.264.264 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 264 :TLSDYIAQA 1dryA 265 :EPGDLLIVD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.99542 Ang O(15) at -19.153 3.691 13.679 in (null):L-9999 (2) and CB(19) at -18.9505 2.45997 15.2363 in (null):S-9999 (3) neighbor-bump: 2.4458 Ang C(16) at -18.09 4.285 13.854 in (null):L-9999 (2) and CB(19) at -18.9505 2.45997 15.2363 in (null):S-9999 (3) self-bump: 1.28137 Ang CA(10) at -17.837 5.633 13.21 in (null):L-9999 (2) and CB(11) at -17.1349 6.29523 14.0529 in (null):L-9999 (2) Number of specific fragments= 1 total=2356 # 1qbqA.265.266 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 265 :LSDYIAQAK 1qbqA 311 :LIAFLVDIY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2357 # 1k8kB.265.267 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 265 :LSDYIAQAK 1k8kB 268 :PHLINVEGV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32226 Ang CD1(6) at -18.7062 40.3806 36.98 in (null):L-9999 (1) and CB(60) at -18.9552 42.6641 36.6381 in (null):A-9999 (8) other bump:2.64529 Ang CE1(30) at -13.7658 37.8206 35.4225 in (null):Y-9999 (4) and CB(46) at -14.035 40.437 35.704 in (null):A-9999 (6) other bump:2.21237 Ang CD2(7) at -17.5475 38.1758 37.1084 in (null):L-9999 (1) and OH(33) at -16.1726 37.8911 35.3987 in (null):Y-9999 (4) other bump:2.84488 Ang CD2(7) at -17.5475 38.1758 37.1084 in (null):L-9999 (1) and CZ(32) at -14.9878 37.5526 36.0346 in (null):Y-9999 (4) other bump:2.82186 Ang CD2(7) at -17.5475 38.1758 37.1084 in (null):L-9999 (1) and CE2(31) at -15.0191 36.9343 37.2777 in (null):Y-9999 (4) Number of specific fragments= 1 total=2358 # 1amp.265.266 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 265 :LSDYIAQAK 1amp 267 :PTGSHAKKF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2359 # 2bnh.265.265 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 265 :LSDYIAQAK 2bnh 265 :ASGCRDLCR Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78342 Ang CA(3) at -0.553 53.859 31.378 in (null):L-9999 (1) and CE2(31) at -0.258035 56.2194 29.9326 in (null):Y-9999 (4) other bump:2.5888 Ang CB(4) at -1.84017 54.6313 31.2275 in (null):L-9999 (1) and CE2(31) at -0.258035 56.2194 29.9326 in (null):Y-9999 (4) other bump:3.09296 Ang CG(5) at -2.65373 54.2637 29.9822 in (null):L-9999 (1) and CE2(31) at -0.258035 56.2194 29.9326 in (null):Y-9999 (4) other bump:2.54405 Ang CD2(7) at -1.88049 54.6698 28.7332 in (null):L-9999 (1) and CE2(31) at -0.258035 56.2194 29.9326 in (null):Y-9999 (4) other bump:3.08968 Ang C(9) at 0.322 54.547 32.465 in (null):L-9999 (1) and CE2(31) at -0.258035 56.2194 29.9326 in (null):Y-9999 (4) other bump:2.84355 Ang O(8) at 1.257 55.299 32.156 in (null):L-9999 (1) and CE2(31) at -0.258035 56.2194 29.9326 in (null):Y-9999 (4) other bump:2.30478 Ang CA(3) at -0.553 53.859 31.378 in (null):L-9999 (1) and CD2(29) at 0.720857 55.2147 30.0174 in (null):Y-9999 (4) other bump:2.892 Ang CB(4) at -1.84017 54.6313 31.2275 in (null):L-9999 (1) and CD2(29) at 0.720857 55.2147 30.0174 in (null):Y-9999 (4) other bump:2.56823 Ang C(9) at 0.322 54.547 32.465 in (null):L-9999 (1) and CD2(29) at 0.720857 55.2147 30.0174 in (null):Y-9999 (4) other bump:2.2064 Ang O(8) at 1.257 55.299 32.156 in (null):L-9999 (1) and CD2(29) at 0.720857 55.2147 30.0174 in (null):Y-9999 (4) Number of specific fragments= 1 total=2360 # 1fnf.265.265 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 265 :LSDYIAQAK 1fnf 1407 :PLLIGQQST Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2361 # 1dryA.265.265 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 265 :LSDYIAQAK 1dryA 266 :PGDLLIVDN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.4984 Ang O(56) at -3.382 -5.574 7.957 in (null):Q-9999 (7) and CD(67) at -1.45593 -4.01834 7.62207 in (null):K-9999 (9) neighbor-bump: 1.99542 Ang O(8) at -19.153 3.691 13.679 in (null):L-9999 (1) and CB(12) at -18.9505 2.45997 15.2363 in (null):S-9999 (2) neighbor-bump: 2.4458 Ang C(9) at -18.09 4.285 13.854 in (null):L-9999 (1) and CB(12) at -18.9505 2.45997 15.2363 in (null):S-9999 (2) self-bump: 1.28137 Ang CA(3) at -17.837 5.633 13.21 in (null):L-9999 (1) and CB(4) at -17.1349 6.29523 14.0529 in (null):L-9999 (1) Number of specific fragments= 1 total=2362 # 1qbqA.266.267 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 266 :SDYIAQAKQ 1qbqA 312 :IAFLVDIYE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2363 # 1k8kB.266.268 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 266 :SDYIAQAKQ 1k8kB 269 :HLINVEGVG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.73046 Ang O(62) at -22.293 41.661 41.498 in (null):K-9999 (8) and CG(67) at -22.5625 40.0584 42.0926 in (null):Q-9999 (9) neighbor-bump: 2.62974 Ang C(63) at -21.849 41.911 40.368 in (null):K-9999 (8) and CG(67) at -22.5625 40.0584 42.0926 in (null):Q-9999 (9) other bump:2.64527 Ang CE1(22) at -13.7658 37.8206 35.4225 in (null):Y-9999 (3) and CB(38) at -14.035 40.437 35.704 in (null):A-9999 (5) Number of specific fragments= 1 total=2364 # 1amp.266.267 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 266 :SDYIAQAKQ 1amp 268 :TGSHAKKFT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2365 # 2bnh.266.266 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 266 :SDYIAQAKQ 2bnh 266 :SGCRDLCRV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84355 Ang O(0) at 1.257 55.299 32.156 in (null):G-9999 (0) and CE2(23) at -0.258035 56.2194 29.9326 in (null):Y-9999 (3) other bump:3.08968 Ang C(1) at 0.322 54.547 32.465 in (null):G-9999 (0) and CE2(23) at -0.258035 56.2194 29.9326 in (null):Y-9999 (3) other bump:2.2064 Ang O(0) at 1.257 55.299 32.156 in (null):G-9999 (0) and CD2(21) at 0.720857 55.2147 30.0174 in (null):Y-9999 (3) other bump:2.56823 Ang C(1) at 0.322 54.547 32.465 in (null):G-9999 (0) and CD2(21) at 0.720857 55.2147 30.0174 in (null):Y-9999 (3) Number of specific fragments= 1 total=2366 # 1fnf.266.266 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 266 :SDYIAQAKQ 1fnf 1408 :LLIGQQSTV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2367 # 1dryA.266.266 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 266 :SDYIAQAKQ 1dryA 267 :GDLLIVDNF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2368 # 1qbqA.267.268 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 267 :DYIAQAKQK 1qbqA 313 :AFLVDIYED Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2369 # 1k8kB.267.269 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 267 :DYIAQAKQK 1k8kB 270 :LINVEGVGV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.73046 Ang O(56) at -22.293 41.661 41.498 in (null):K-9999 (7) and CG(61) at -22.5625 40.0584 42.0926 in (null):Q-9999 (8) neighbor-bump: 2.62974 Ang C(57) at -21.849 41.911 40.368 in (null):K-9999 (7) and CG(61) at -22.5625 40.0584 42.0926 in (null):Q-9999 (8) other bump:2.64527 Ang CE1(16) at -13.7658 37.8206 35.4225 in (null):Y-9999 (2) and CB(32) at -14.035 40.437 35.704 in (null):A-9999 (4) Number of specific fragments= 1 total=2370 # 1amp.267.268 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 267 :DYIAQAKQK 1amp 269 :GSHAKKFTQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2371 # 2bnh.267.267 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 267 :DYIAQAKQK 2bnh 267 :GCRDLCRVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2372 # 1fnf.267.267 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 267 :DYIAQAKQK 1fnf 1409 :LIGQQSTVS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2373 # 1dryA.267.267 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 267 :DYIAQAKQK 1dryA 268 :DLLIVDNFR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2374 # 1qbqA.268.269 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 268 :YIAQAKQKG 1qbqA 314 :FLVDIYEDM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2375 # 1k8kB.268.270 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 268 :YIAQAKQKG 1k8kB 271 :INVEGVGVA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.73046 Ang O(48) at -22.293 41.661 41.498 in (null):K-9999 (6) and CG(53) at -22.5625 40.0584 42.0926 in (null):Q-9999 (7) neighbor-bump: 2.62974 Ang C(49) at -21.849 41.911 40.368 in (null):K-9999 (6) and CG(53) at -22.5625 40.0584 42.0926 in (null):Q-9999 (7) other bump:2.64527 Ang CE1(8) at -13.7658 37.8206 35.4225 in (null):Y-9999 (1) and CB(24) at -14.035 40.437 35.704 in (null):A-9999 (3) Number of specific fragments= 1 total=2376 # 1amp.268.269 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 268 :YIAQAKQKG 1amp 270 :SHAKKFTQL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2377 # 2bnh.268.268 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 268 :YIAQAKQKG 2bnh 268 :CRDLCRVLQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2378 # 1fnf.268.268 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 268 :YIAQAKQKG 1fnf 1410 :IGQQSTVSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2379 # 1qs0A.268.268 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 268 :YIAQAKQKG 1qs0A 270 :ASLRVDGND Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2380 # 1qbqA.269.270 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 269 :IAQAKQKGI 1qbqA 315 :LVDIYEDML Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2381 # 1k8kB.269.271 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 269 :IAQAKQKGI 1k8kB 272 :NVEGVGVAE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66014 Ang OE1(43) at -21.6605 41.2455 43.9355 in (null):Q-9999 (6) and CD1(65) at -23.7959 42.8177 43.7236 in (null):I-9999 (9) neighbor-bump: 1.73046 Ang O(36) at -22.293 41.661 41.498 in (null):K-9999 (5) and CG(41) at -22.5625 40.0584 42.0926 in (null):Q-9999 (6) neighbor-bump: 2.62974 Ang C(37) at -21.849 41.911 40.368 in (null):K-9999 (5) and CG(41) at -22.5625 40.0584 42.0926 in (null):Q-9999 (6) Number of specific fragments= 1 total=2382 # 1amp.269.270 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 269 :IAQAKQKGI 1amp 271 :HAKKFTQLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2383 # 2bnh.269.269 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 269 :IAQAKQKGI 2bnh 269 :RDLCRVLQA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2384 # 1fnf.269.269 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 269 :IAQAKQKGI 1fnf 1411 :GQQSTVSDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2385 # 1qs0A.269.269 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 269 :IAQAKQKGI 1qs0A 271 :SLRVDGNDF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2386 # 1qbqA.270.271 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 270 :AQAKQKGIK 1qbqA 316 :VDIYEDMLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2387 # 1k8kB.270.272 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 270 :AQAKQKGIK 1k8kB 273 :VEGVGVAEL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66013 Ang OE1(35) at -21.6605 41.2455 43.9355 in (null):Q-9999 (5) and CD1(57) at -23.7959 42.8177 43.7236 in (null):I-9999 (8) neighbor-bump: 1.73046 Ang O(28) at -22.293 41.661 41.498 in (null):K-9999 (4) and CG(33) at -22.5625 40.0584 42.0926 in (null):Q-9999 (5) neighbor-bump: 2.62974 Ang C(29) at -21.849 41.911 40.368 in (null):K-9999 (4) and CG(33) at -22.5625 40.0584 42.0926 in (null):Q-9999 (5) Number of specific fragments= 1 total=2388 # 1amp.270.271 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 270 :AQAKQKGIK 1amp 272 :AKKFTQLGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2389 # 2bnh.270.270 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 270 :AQAKQKGIK 2bnh 270 :DLCRVLQAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2390 # 1qs0A.270.270 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 270 :AQAKQKGIK 1qs0A 272 :LRVDGNDFV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2391 # 1fnf.270.270 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 270 :AQAKQKGIK 1fnf 1412 :QQSTVSDVP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2392 # 1qbqA.271.272 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 271 :QAKQKGIKL 1qbqA 317 :DIYEDMLEN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2393 # 1k8kB.271.273 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 271 :QAKQKGIKL 1k8kB 274 :EGVGVAELL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66013 Ang OE1(30) at -21.6605 41.2455 43.9355 in (null):Q-9999 (4) and CD1(52) at -23.7959 42.8177 43.7236 in (null):I-9999 (7) neighbor-bump: 1.73046 Ang O(23) at -22.293 41.661 41.498 in (null):K-9999 (3) and CG(28) at -22.5625 40.0584 42.0926 in (null):Q-9999 (4) neighbor-bump: 2.62974 Ang C(24) at -21.849 41.911 40.368 in (null):K-9999 (3) and CG(28) at -22.5625 40.0584 42.0926 in (null):Q-9999 (4) Number of specific fragments= 1 total=2394 # 1amp.271.272 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 271 :QAKQKGIKL 1amp 273 :KKFTQLGLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2395 # 2bnh.271.271 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 271 :QAKQKGIKL 2bnh 271 :LCRVLQAKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2396 # 1qs0A.271.271 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 271 :QAKQKGIKL 1qs0A 273 :RVDGNDFVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2397 # 1dryA.271.271 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 271 :QAKQKGIKL 1dryA 272 :VDNFRTTHA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67384 Ang OE1(7) at -3.32907 -1.65695 5.03229 in (null):Q-9999 (1) and CE(60) at -3.6091 0.965887 4.59439 in (null):K-9999 (8) other bump:2.62081 Ang NE2(8) at -3.89039 -2.57668 3.06756 in (null):Q-9999 (1) and CB(57) at -4.77032 -0.425008 1.85733 in (null):K-9999 (8) Number of specific fragments= 1 total=2398 # 1qbqA.272.273 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 272 :AKQKGIKLF 1qbqA 318 :IYEDMLENQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2399 # 1k8kB.272.274 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 272 :AKQKGIKLF 1k8kB 275 :GVGVAELLF Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66013 Ang OE1(21) at -21.6605 41.2455 43.9355 in (null):Q-9999 (3) and CD1(43) at -23.7959 42.8177 43.7236 in (null):I-9999 (6) neighbor-bump: 1.73046 Ang O(14) at -22.293 41.661 41.498 in (null):K-9999 (2) and CG(19) at -22.5625 40.0584 42.0926 in (null):Q-9999 (3) neighbor-bump: 2.62974 Ang C(15) at -21.849 41.911 40.368 in (null):K-9999 (2) and CG(19) at -22.5625 40.0584 42.0926 in (null):Q-9999 (3) neighbor-bump: 2.43139 Ang CB(4) at -20.0777 43.9948 36.3986 in (null):A-9999 (1) and N(7) at -20.845 43.469 38.645 in (null):K-9999 (2) self-bump: 2.17023 Ang CB(4) at -20.0777 43.9948 36.3986 in (null):A-9999 (1) and C(6) at -19.653 44.054 38.526 in (null):A-9999 (1) self-bump: 1.24722 Ang CA(3) at -19.085 44.197 37.126 in (null):A-9999 (1) and CB(4) at -20.0777 43.9948 36.3986 in (null):A-9999 (1) Number of specific fragments= 1 total=2400 # 1amp.272.273 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 272 :AKQKGIKLF 1amp 274 :KFTQLGLAY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2401 # 2bnh.272.272 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 272 :AKQKGIKLF 2bnh 272 :CRVLQAKET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2402 # 1qs0A.272.272 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 272 :AKQKGIKLF 1qs0A 274 :VDGNDFVAV Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.06169 Ang O(23) at -1.263 -23.635 89.007 in (null):Q-9999 (3) and CZ(71) at -0.487599 -22.5104 87.4628 in (null):F-9999 (9) other bump:1.53633 Ang C(24) at -1.798 -22.97 88.12 in (null):Q-9999 (3) and CZ(71) at -0.487599 -22.5104 87.4628 in (null):F-9999 (9) other bump:2.36304 Ang N(25) at -2.62 -23.498 87.215 in (null):K-9999 (4) and CZ(71) at -0.487599 -22.5104 87.4628 in (null):F-9999 (9) other bump:2.52936 Ang C(15) at -1.379 -20.934 85.697 in (null):K-9999 (2) and CZ(71) at -0.487599 -22.5104 87.4628 in (null):F-9999 (9) other bump:2.37064 Ang N(16) at -2.031 -20.82 86.846 in (null):Q-9999 (3) and CZ(71) at -0.487599 -22.5104 87.4628 in (null):F-9999 (9) other bump:1.58322 Ang CA(17) at -1.542 -21.48 88.04 in (null):Q-9999 (3) and CZ(71) at -0.487599 -22.5104 87.4628 in (null):F-9999 (9) other bump:2.10425 Ang O(14) at -0.354 -21.605 85.568 in (null):K-9999 (2) and CZ(71) at -0.487599 -22.5104 87.4628 in (null):F-9999 (9) other bump:2.92933 Ang N(34) at -1.214 -24.96 85.481 in (null):G-9999 (5) and CE2(70) at -0.0196548 -23.7587 87.8708 in (null):F-9999 (9) other bump:1.68881 Ang O(23) at -1.263 -23.635 89.007 in (null):Q-9999 (3) and CE2(70) at -0.0196548 -23.7587 87.8708 in (null):F-9999 (9) other bump:1.96128 Ang C(24) at -1.798 -22.97 88.12 in (null):Q-9999 (3) and CE2(70) at -0.0196548 -23.7587 87.8708 in (null):F-9999 (9) other bump:2.69442 Ang N(25) at -2.62 -23.498 87.215 in (null):K-9999 (4) and CE2(70) at -0.0196548 -23.7587 87.8708 in (null):F-9999 (9) other bump:3.18363 Ang CA(26) at -2.907 -24.928 87.214 in (null):K-9999 (4) and CE2(70) at -0.0196548 -23.7587 87.8708 in (null):F-9999 (9) other bump:2.74564 Ang CA(17) at -1.542 -21.48 88.04 in (null):Q-9999 (3) and CE2(70) at -0.0196548 -23.7587 87.8708 in (null):F-9999 (9) other bump:2.84291 Ang C(24) at -1.798 -22.97 88.12 in (null):Q-9999 (3) and CE1(69) at 0.404992 -21.5087 87.0743 in (null):F-9999 (9) other bump:2.3259 Ang C(15) at -1.379 -20.934 85.697 in (null):K-9999 (2) and CE1(69) at 0.404992 -21.5087 87.0743 in (null):F-9999 (9) other bump:2.54174 Ang N(16) at -2.031 -20.82 86.846 in (null):Q-9999 (3) and CE1(69) at 0.404992 -21.5087 87.0743 in (null):F-9999 (9) other bump:2.17353 Ang CA(17) at -1.542 -21.48 88.04 in (null):Q-9999 (3) and CE1(69) at 0.404992 -21.5087 87.0743 in (null):F-9999 (9) other bump:1.68944 Ang O(14) at -0.354 -21.605 85.568 in (null):K-9999 (2) and CE1(69) at 0.404992 -21.5087 87.0743 in (null):F-9999 (9) Number of specific fragments= 1 total=2403 # 1dryA.272.272 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 272 :AKQKGIKLF 1dryA 273 :DNFRTTHAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2404 # 1qbqA.273.274 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 273 :KQKGIKLFA 1qbqA 319 :YEDMLENQC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2405 # 1k8kB.273.275 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 273 :KQKGIKLFA 1k8kB 276 :VGVAELLFN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66013 Ang OE1(16) at -21.6605 41.2455 43.9355 in (null):Q-9999 (2) and CD1(38) at -23.7959 42.8177 43.7236 in (null):I-9999 (5) other bump:2.35763 Ang CE(7) at -24.9698 45.9066 40.1206 in (null):K-9999 (1) and CG2(37) at -25.6078 44.0892 41.4801 in (null):I-9999 (5) neighbor-bump: 1.73046 Ang O(9) at -22.293 41.661 41.498 in (null):K-9999 (1) and CG(14) at -22.5625 40.0584 42.0926 in (null):Q-9999 (2) neighbor-bump: 2.62974 Ang C(10) at -21.849 41.911 40.368 in (null):K-9999 (1) and CG(14) at -22.5625 40.0584 42.0926 in (null):Q-9999 (2) Number of specific fragments= 1 total=2406 # 1amp.273.274 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 273 :KQKGIKLFA 1amp 275 :FTQLGLAYA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2407 # 2bnh.273.273 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 273 :KQKGIKLFA 2bnh 273 :RVLQAKETL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2408 # 1dryA.273.273 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 273 :KQKGIKLFA 1dryA 274 :NFRTTHART Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2409 # 1drtA.273.273 read from T0147_twice.t2k.frag # adding 1drtA to template set 1drtA:# found chain 1drtA in template set T0147_twice 273 :KQKGIKLFA 1drtA 274 :NFRTTHART Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2410 # 1qbqA.274.275 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 274 :QKGIKLFAI 1qbqA 320 :EDMLENQCD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2411 # 1k8kB.274.276 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 274 :QKGIKLFAI 1k8kB 277 :GVAELLFNT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66013 Ang OE1(7) at -21.6606 41.2455 43.9355 in (null):Q-9999 (1) and CD1(29) at -23.7959 42.8177 43.7236 in (null):I-9999 (4) neighbor-bump: 1.73046 Ang O(0) at -22.293 41.661 41.498 in (null):G-9999 (0) and CG(5) at -22.5625 40.0584 42.0926 in (null):Q-9999 (1) neighbor-bump: 2.62974 Ang C(1) at -21.849 41.911 40.368 in (null):G-9999 (0) and CG(5) at -22.5625 40.0584 42.0926 in (null):Q-9999 (1) Number of specific fragments= 1 total=2412 # 1amp.274.275 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 274 :QKGIKLFAI 1amp 276 :TQLGLAYAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2413 # 1dryA.274.274 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 274 :QKGIKLFAI 1dryA 275 :FRTTHARTP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2414 # 1drtA.274.274 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 274 :QKGIKLFAI 1drtA 275 :FRTTHARTP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2415 # 2bnh.274.274 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 274 :QKGIKLFAI 2bnh 274 :VLQAKETLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2416 # 1qbqA.275.276 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 275 :KGIKLFAIT 1qbqA 321 :DMLENQCDN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62656 Ang C(63) at 211.735 83.953 45.468 in (null):I-9999 (8) and CB(66) at 213.15 85.1992 47.2969 in (null):T-9999 (9) neighbor-bump: 2.87599 Ang CG2(60) at 211.556 81.9726 46.6712 in (null):I-9999 (8) and CA(65) at 211.713 84.604 47.821 in (null):T-9999 (9) neighbor-bump: 2.42644 Ang CB(58) at 211.255 81.7934 45.2023 in (null):I-9999 (8) and N(64) at 211.511 83.652 46.741 in (null):T-9999 (9) neighbor-bump: 1.68148 Ang CG2(60) at 211.556 81.9726 46.6712 in (null):I-9999 (8) and N(64) at 211.511 83.652 46.741 in (null):T-9999 (9) self-bump: 2.32423 Ang CG2(60) at 211.556 81.9726 46.6712 in (null):I-9999 (8) and C(63) at 211.735 83.953 45.468 in (null):I-9999 (8) self-bump: 1.29655 Ang CA(57) at 211.433 82.847 44.468 in (null):I-9999 (8) and CB(58) at 211.255 81.7934 45.2023 in (null):I-9999 (8) Number of specific fragments= 1 total=2417 # 1k8kB.275.277 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 275 :KGIKLFAIT 1k8kB 278 :VAELLFNTI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2418 # 1dryA.275.275 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 275 :KGIKLFAIT 1dryA 276 :RTTHARTPF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2419 # 1amp.275.276 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 275 :KGIKLFAIT 1amp 277 :QLGLAYAIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2420 # 1drtA.275.275 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 275 :KGIKLFAIT 1drtA 276 :RTTHARTPF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2421 # 1ds1A.275.275 read from T0147_twice.t2k.frag # adding 1ds1A to template set 1ds1A:# found chain 1ds1A in template set T0147_twice 275 :KGIKLFAIT 1ds1A 276 :RTTHARTPF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2422 # 1qbqA.276.277 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 276 :GIKLFAITD 1qbqA 322 :MLENQCDNK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62655 Ang C(54) at 211.735 83.953 45.468 in (null):I-9999 (7) and CB(57) at 213.149 85.1992 47.2969 in (null):T-9999 (8) neighbor-bump: 2.87599 Ang CG2(51) at 211.556 81.9726 46.6712 in (null):I-9999 (7) and CA(56) at 211.713 84.604 47.821 in (null):T-9999 (8) neighbor-bump: 2.42644 Ang CB(49) at 211.255 81.7934 45.2023 in (null):I-9999 (7) and N(55) at 211.511 83.652 46.741 in (null):T-9999 (8) neighbor-bump: 1.68148 Ang CG2(51) at 211.556 81.9726 46.6712 in (null):I-9999 (7) and N(55) at 211.511 83.652 46.741 in (null):T-9999 (8) self-bump: 2.32423 Ang CG2(51) at 211.556 81.9726 46.6712 in (null):I-9999 (7) and C(54) at 211.735 83.953 45.468 in (null):I-9999 (7) self-bump: 1.29655 Ang CA(48) at 211.433 82.847 44.468 in (null):I-9999 (7) and CB(49) at 211.255 81.7934 45.2023 in (null):I-9999 (7) Number of specific fragments= 1 total=2423 # 1dryA.276.276 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 276 :GIKLFAITD 1dryA 277 :TTHARTPFS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2424 # 1k8kB.276.278 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 276 :GIKLFAITD 1k8kB 279 :AELLFNTIQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42453 Ang CE2(38) at -31.864 45.532 43.359 in (null):F-9999 (5) and OD2(67) at -33.7272 46.1352 41.9297 in (null):D-9999 (9) Number of specific fragments= 1 total=2425 # 1drtA.276.276 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 276 :GIKLFAITD 1drtA 277 :TTHARTPFS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2426 # 1amp.276.277 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 276 :GIKLFAITD 1amp 278 :LGLAYAIEM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84148 Ang CD1(35) at 34.855 13.683 24.753 in (null):F-9999 (5) and OD2(67) at 35.6875 16.3994 24.7998 in (null):D-9999 (9) Number of specific fragments= 1 total=2427 # 1ds1A.276.276 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 276 :GIKLFAITD 1ds1A 277 :TTHARTPFS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2428 # 1qbqA.277.278 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 277 :IKLFAITDH 1qbqA 323 :LENQCDNKE Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19023 Ang O(41) at 209.218 84.498 44.197 in (null):A-9999 (5) and OD2(63) at 207.057 84.462 43.8394 in (null):D-9999 (8) other bump:2.53654 Ang CA(39) at 209.6 84.978 41.888 in (null):A-9999 (5) and OD1(62) at 208.794 85.7875 44.1528 in (null):D-9999 (8) other bump:2.82572 Ang CB(40) at 210.286 86.338 41.817 in (null):A-9999 (5) and OD1(62) at 208.794 85.7875 44.1528 in (null):D-9999 (8) other bump:1.35816 Ang O(41) at 209.218 84.498 44.197 in (null):A-9999 (5) and OD1(62) at 208.794 85.7875 44.1528 in (null):D-9999 (8) other bump:2.08697 Ang C(42) at 209.929 84.309 43.214 in (null):A-9999 (5) and OD1(62) at 208.794 85.7875 44.1528 in (null):D-9999 (8) other bump:2.88463 Ang N(38) at 208.172 85.145 41.701 in (null):A-9999 (5) and CG(61) at 207.753 85.2156 44.5542 in (null):D-9999 (8) other bump:1.66969 Ang O(41) at 209.218 84.498 44.197 in (null):A-9999 (5) and CG(61) at 207.753 85.2156 44.5542 in (null):D-9999 (8) other bump:2.7114 Ang C(42) at 209.929 84.309 43.214 in (null):A-9999 (5) and CG(61) at 207.753 85.2156 44.5542 in (null):D-9999 (8) neighbor-bump: 2.62655 Ang C(50) at 211.735 83.953 45.468 in (null):I-9999 (6) and CB(53) at 213.149 85.1992 47.2969 in (null):T-9999 (7) neighbor-bump: 2.87599 Ang CG2(47) at 211.556 81.9726 46.6712 in (null):I-9999 (6) and CA(52) at 211.713 84.604 47.821 in (null):T-9999 (7) neighbor-bump: 2.42644 Ang CB(45) at 211.255 81.7934 45.2023 in (null):I-9999 (6) and N(51) at 211.511 83.652 46.741 in (null):T-9999 (7) neighbor-bump: 1.68148 Ang CG2(47) at 211.556 81.9726 46.6712 in (null):I-9999 (6) and N(51) at 211.511 83.652 46.741 in (null):T-9999 (7) self-bump: 2.32423 Ang CG2(47) at 211.556 81.9726 46.6712 in (null):I-9999 (6) and C(50) at 211.735 83.953 45.468 in (null):I-9999 (6) self-bump: 1.29655 Ang CA(44) at 211.433 82.847 44.468 in (null):I-9999 (6) and CB(45) at 211.255 81.7934 45.2023 in (null):I-9999 (6) Number of specific fragments= 1 total=2429 # 1dryA.277.277 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 277 :IKLFAITDH 1dryA 278 :THARTPFSP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2430 # 1drtA.277.277 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 277 :IKLFAITDH 1drtA 278 :THARTPFSP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2431 # 1k8kB.277.279 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 277 :IKLFAITDH 1k8kB 280 :ELLFNTIQA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30194 Ang CE2(34) at -31.864 45.532 43.359 in (null):F-9999 (4) and OD2(63) at -33.3965 45.8106 41.6641 in (null):D-9999 (8) Number of specific fragments= 1 total=2432 # 1amp.277.278 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 277 :IKLFAITDH 1amp 279 :GLAYAIEMG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.21134 Ang CA(39) at 36.209 12.385 19.864 in (null):A-9999 (5) and CD2(70) at 39.1023 13.7097 20.2958 in (null):H-9999 (9) other bump:2.24534 Ang O(41) at 37.039 14.256 18.633 in (null):A-9999 (5) and CB(68) at 38.9933 15.2724 18.1978 in (null):H-9999 (9) other bump:2.42736 Ang CD1(31) at 34.855 13.683 24.753 in (null):F-9999 (4) and OD2(63) at 35.3821 16.0432 24.5437 in (null):D-9999 (8) Number of specific fragments= 1 total=2433 # 1ds1A.277.277 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 277 :IKLFAITDH 1ds1A 278 :THARTPFSP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2434 # 1dryA.278.278 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 278 :KLFAITDHG 1dryA 279 :HARTPFSPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2435 # 1drtA.278.278 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 278 :KLFAITDHG 1drtA 279 :HARTPFSPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2436 # 1ds1A.278.278 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 278 :KLFAITDHG 1ds1A 279 :HARTPFSPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2437 # 1qbqA.278.279 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 278 :KLFAITDHG 1qbqA 324 :ENQCDNKED Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19023 Ang O(33) at 209.218 84.498 44.197 in (null):A-9999 (4) and OD2(55) at 207.057 84.462 43.8394 in (null):D-9999 (7) other bump:2.53654 Ang CA(31) at 209.6 84.978 41.888 in (null):A-9999 (4) and OD1(54) at 208.794 85.7875 44.1528 in (null):D-9999 (7) other bump:2.82572 Ang CB(32) at 210.286 86.338 41.817 in (null):A-9999 (4) and OD1(54) at 208.794 85.7875 44.1528 in (null):D-9999 (7) other bump:1.35816 Ang O(33) at 209.218 84.498 44.197 in (null):A-9999 (4) and OD1(54) at 208.794 85.7875 44.1528 in (null):D-9999 (7) other bump:2.08697 Ang C(34) at 209.929 84.309 43.214 in (null):A-9999 (4) and OD1(54) at 208.794 85.7875 44.1528 in (null):D-9999 (7) other bump:2.88463 Ang N(30) at 208.172 85.145 41.701 in (null):A-9999 (4) and CG(53) at 207.753 85.2156 44.5542 in (null):D-9999 (7) other bump:1.66969 Ang O(33) at 209.218 84.498 44.197 in (null):A-9999 (4) and CG(53) at 207.753 85.2156 44.5542 in (null):D-9999 (7) other bump:2.7114 Ang C(34) at 209.929 84.309 43.214 in (null):A-9999 (4) and CG(53) at 207.753 85.2156 44.5542 in (null):D-9999 (7) neighbor-bump: 2.62655 Ang C(42) at 211.735 83.953 45.468 in (null):I-9999 (5) and CB(45) at 213.149 85.1992 47.2969 in (null):T-9999 (6) neighbor-bump: 2.87599 Ang CG2(39) at 211.556 81.9726 46.6712 in (null):I-9999 (5) and CA(44) at 211.713 84.604 47.821 in (null):T-9999 (6) neighbor-bump: 2.42644 Ang CB(37) at 211.255 81.7934 45.2023 in (null):I-9999 (5) and N(43) at 211.511 83.652 46.741 in (null):T-9999 (6) neighbor-bump: 1.68148 Ang CG2(39) at 211.556 81.9726 46.6712 in (null):I-9999 (5) and N(43) at 211.511 83.652 46.741 in (null):T-9999 (6) self-bump: 2.32423 Ang CG2(39) at 211.556 81.9726 46.6712 in (null):I-9999 (5) and C(42) at 211.735 83.953 45.468 in (null):I-9999 (5) self-bump: 1.29655 Ang CA(36) at 211.433 82.847 44.468 in (null):I-9999 (5) and CB(37) at 211.255 81.7934 45.2023 in (null):I-9999 (5) Number of specific fragments= 1 total=2438 # 1k8kB.278.280 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 278 :KLFAITDHG 1k8kB 281 :LLFNTIQAA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30194 Ang CE2(26) at -31.864 45.532 43.359 in (null):F-9999 (3) and OD2(55) at -33.3965 45.8106 41.6641 in (null):D-9999 (7) Number of specific fragments= 1 total=2439 # 1amp.278.279 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 278 :KLFAITDHG 1amp 280 :LAYAIEMGS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.21133 Ang CA(31) at 36.209 12.385 19.864 in (null):A-9999 (4) and CD2(62) at 39.1023 13.7097 20.2958 in (null):H-9999 (8) other bump:2.24533 Ang O(33) at 37.039 14.256 18.633 in (null):A-9999 (4) and CB(60) at 38.9933 15.2724 18.1978 in (null):H-9999 (8) other bump:2.42736 Ang CD1(23) at 34.855 13.683 24.753 in (null):F-9999 (3) and OD2(55) at 35.3821 16.0432 24.5437 in (null):D-9999 (7) Number of specific fragments= 1 total=2440 # 1dryA.279.279 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 279 :LFAITDHGP 1dryA 280 :ARTPFSPRW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.25966 Ang O(61) at -14.385 23.287 5.889 in (null):G-9999 (8) and CD(67) at -12.4556 22.318 5.22221 in (null):P-9999 (9) neighbor-bump: 1.71986 Ang C(62) at -14.063 22.098 5.793 in (null):G-9999 (8) and CD(67) at -12.4556 22.318 5.22221 in (null):P-9999 (9) self-bump: 2.22447 Ang CA(64) at -12.251 22.351 7.437 in (null):P-9999 (9) and CD(67) at -12.4556 22.318 5.22221 in (null):P-9999 (9) Number of specific fragments= 1 total=2441 # 1drtA.279.279 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 279 :LFAITDHGP 1drtA 280 :ARTPFSPRW Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.2118 Ang O(61) at -14.882 23.284 6.012 in (null):G-9999 (8) and CD(67) at -12.9618 22.4003 5.36084 in (null):P-9999 (9) neighbor-bump: 1.67026 Ang C(62) at -14.51 22.117 5.92 in (null):G-9999 (8) and CD(67) at -12.9618 22.4003 5.36084 in (null):P-9999 (9) self-bump: 2.23062 Ang CA(64) at -12.764 22.455 7.582 in (null):P-9999 (9) and CD(67) at -12.9618 22.4003 5.36084 in (null):P-9999 (9) self-bump: 1.3999 Ang CA(64) at -12.764 22.455 7.582 in (null):P-9999 (9) and CB(65) at -11.4831 22.8044 7.13837 in (null):P-9999 (9) Number of specific fragments= 1 total=2442 # 1ds1A.279.279 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 279 :LFAITDHGP 1ds1A 280 :ARTPFSPRW Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11599 Ang O(61) at -15.533 23.592 6.104 in (null):G-9999 (8) and CD(67) at -13.6861 22.837 5.39942 in (null):P-9999 (9) neighbor-bump: 1.60282 Ang C(62) at -15.117 22.393 5.969 in (null):G-9999 (8) and CD(67) at -13.6861 22.837 5.39942 in (null):P-9999 (9) self-bump: 2.2286 Ang CA(64) at -13.334 22.826 7.6 in (null):P-9999 (9) and CD(67) at -13.6861 22.837 5.39942 in (null):P-9999 (9) self-bump: 1.39188 Ang CA(64) at -13.334 22.826 7.6 in (null):P-9999 (9) and CB(65) at -12.1145 23.2623 7.09026 in (null):P-9999 (9) Number of specific fragments= 1 total=2443 # 1amp.279.280 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 279 :LFAITDHGP 1amp 281 :AYAIEMGSA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.0253 Ang O(39) at 35.298 19.041 19.363 in (null):T-9999 (5) and CD(67) at 37.0148 20.047 18.9856 in (null):P-9999 (9) other bump:3.11173 Ang C(40) at 34.82 17.95 19.67 in (null):T-9999 (5) and CD(67) at 37.0148 20.047 18.9856 in (null):P-9999 (9) neighbor-bump: 2.41649 Ang N(59) at 37.944 18.454 17.424 in (null):G-9999 (8) and CD(67) at 37.0148 20.047 18.9856 in (null):P-9999 (9) other bump:2.95759 Ang C(48) at 37.795 17.699 20.606 in (null):D-9999 (6) and CD(67) at 37.0148 20.047 18.9856 in (null):P-9999 (9) other bump:3.16092 Ang CA(42) at 36.504 17.705 21.416 in (null):D-9999 (6) and CG(66) at 37.1379 20.6223 20.3774 in (null):P-9999 (9) other bump:3.00499 Ang C(48) at 37.795 17.699 20.606 in (null):D-9999 (6) and CG(66) at 37.1379 20.6223 20.3774 in (null):P-9999 (9) other bump:3.21133 Ang CA(22) at 36.209 12.385 19.864 in (null):A-9999 (3) and CD2(53) at 39.1023 13.7097 20.2958 in (null):H-9999 (7) other bump:2.24533 Ang O(24) at 37.039 14.256 18.633 in (null):A-9999 (3) and CB(51) at 38.9933 15.2724 18.1978 in (null):H-9999 (7) other bump:2.42736 Ang CD1(14) at 34.855 13.683 24.753 in (null):F-9999 (2) and OD2(46) at 35.3821 16.0432 24.5437 in (null):D-9999 (6) Number of specific fragments= 1 total=2444 # 1qbqA.279.280 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 279 :LFAITDHGP 1qbqA 325 :NQCDNKEDI Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13318 Ang CA(42) at 208.385 86.177 46.849 in (null):D-9999 (6) and CD(67) at 210.26 87.9953 48.5795 in (null):P-9999 (9) other bump:2.87214 Ang C(48) at 207.797 86.57 48.191 in (null):D-9999 (6) and CD(67) at 210.26 87.9953 48.5795 in (null):P-9999 (9) other bump:1.48508 Ang O(39) at 210.524 86.534 48.558 in (null):T-9999 (5) and CD(67) at 210.26 87.9953 48.5795 in (null):P-9999 (9) other bump:2.55974 Ang C(40) at 210.541 85.574 47.798 in (null):T-9999 (5) and CD(67) at 210.26 87.9953 48.5795 in (null):P-9999 (9) other bump:2.46324 Ang O(39) at 210.524 86.534 48.558 in (null):T-9999 (5) and CG(66) at 210.543 88.6002 47.2172 in (null):P-9999 (9) other bump:3.08147 Ang C(40) at 210.541 85.574 47.798 in (null):T-9999 (5) and CG(66) at 210.543 88.6002 47.2172 in (null):P-9999 (9) other bump:2.19023 Ang O(24) at 209.218 84.498 44.197 in (null):A-9999 (3) and OD2(46) at 207.057 84.462 43.8394 in (null):D-9999 (6) other bump:2.53654 Ang CA(22) at 209.6 84.978 41.888 in (null):A-9999 (3) and OD1(45) at 208.794 85.7875 44.1528 in (null):D-9999 (6) other bump:1.35816 Ang O(24) at 209.218 84.498 44.197 in (null):A-9999 (3) and OD1(45) at 208.794 85.7875 44.1528 in (null):D-9999 (6) other bump:2.82572 Ang CB(23) at 210.286 86.338 41.817 in (null):A-9999 (3) and OD1(45) at 208.794 85.7875 44.1528 in (null):D-9999 (6) other bump:2.08697 Ang C(25) at 209.929 84.309 43.214 in (null):A-9999 (3) and OD1(45) at 208.794 85.7875 44.1528 in (null):D-9999 (6) other bump:2.88463 Ang N(21) at 208.172 85.145 41.701 in (null):A-9999 (3) and CG(44) at 207.753 85.2156 44.5542 in (null):D-9999 (6) other bump:1.66969 Ang O(24) at 209.218 84.498 44.197 in (null):A-9999 (3) and CG(44) at 207.753 85.2156 44.5542 in (null):D-9999 (6) other bump:2.7114 Ang C(25) at 209.929 84.309 43.214 in (null):A-9999 (3) and CG(44) at 207.753 85.2156 44.5542 in (null):D-9999 (6) neighbor-bump: 2.62655 Ang C(33) at 211.735 83.953 45.468 in (null):I-9999 (4) and CB(36) at 213.149 85.1992 47.2969 in (null):T-9999 (5) neighbor-bump: 2.87599 Ang CG2(30) at 211.556 81.9726 46.6712 in (null):I-9999 (4) and CA(35) at 211.713 84.604 47.821 in (null):T-9999 (5) neighbor-bump: 2.42644 Ang CB(28) at 211.255 81.7934 45.2023 in (null):I-9999 (4) and N(34) at 211.511 83.652 46.741 in (null):T-9999 (5) neighbor-bump: 1.68148 Ang CG2(30) at 211.556 81.9726 46.6712 in (null):I-9999 (4) and N(34) at 211.511 83.652 46.741 in (null):T-9999 (5) self-bump: 2.32423 Ang CG2(30) at 211.556 81.9726 46.6712 in (null):I-9999 (4) and C(33) at 211.735 83.953 45.468 in (null):I-9999 (4) self-bump: 1.29655 Ang CA(27) at 211.433 82.847 44.468 in (null):I-9999 (4) and CB(28) at 211.255 81.7934 45.2023 in (null):I-9999 (4) Number of specific fragments= 1 total=2445 # 1k8kB.279.281 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 279 :LFAITDHGP 1k8kB 282 :LFNTIQAAD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30194 Ang CE2(17) at -31.864 45.532 43.359 in (null):F-9999 (2) and OD2(46) at -33.3965 45.8106 41.6641 in (null):D-9999 (6) Number of specific fragments= 1 total=2446 # 1dryA.280.280 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 280 :FAITDHGPD 1dryA 281 :RTPFSPRWD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.25966 Ang O(53) at -14.385 23.287 5.889 in (null):G-9999 (7) and CD(59) at -12.4556 22.318 5.22221 in (null):P-9999 (8) neighbor-bump: 1.71986 Ang C(54) at -14.063 22.098 5.793 in (null):G-9999 (7) and CD(59) at -12.4556 22.318 5.22221 in (null):P-9999 (8) self-bump: 2.22447 Ang CA(56) at -12.251 22.351 7.437 in (null):P-9999 (8) and CD(59) at -12.4556 22.318 5.22221 in (null):P-9999 (8) Number of specific fragments= 1 total=2447 # 1drtA.280.280 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 280 :FAITDHGPD 1drtA 281 :RTPFSPRWD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.2118 Ang O(53) at -14.882 23.284 6.012 in (null):G-9999 (7) and CD(59) at -12.9618 22.4003 5.36084 in (null):P-9999 (8) neighbor-bump: 1.67026 Ang C(54) at -14.51 22.117 5.92 in (null):G-9999 (7) and CD(59) at -12.9618 22.4003 5.36084 in (null):P-9999 (8) self-bump: 2.23062 Ang CA(56) at -12.764 22.455 7.582 in (null):P-9999 (8) and CD(59) at -12.9618 22.4003 5.36084 in (null):P-9999 (8) self-bump: 1.3999 Ang CA(56) at -12.764 22.455 7.582 in (null):P-9999 (8) and CB(57) at -11.4831 22.8044 7.13837 in (null):P-9999 (8) Number of specific fragments= 1 total=2448 # 1ds1A.280.280 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 280 :FAITDHGPD 1ds1A 281 :RTPFSPRWD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11599 Ang O(53) at -15.533 23.592 6.104 in (null):G-9999 (7) and CD(59) at -13.6861 22.837 5.39942 in (null):P-9999 (8) neighbor-bump: 1.60282 Ang C(54) at -15.117 22.393 5.969 in (null):G-9999 (7) and CD(59) at -13.6861 22.837 5.39942 in (null):P-9999 (8) self-bump: 2.2286 Ang CA(56) at -13.334 22.826 7.6 in (null):P-9999 (8) and CD(59) at -13.6861 22.837 5.39942 in (null):P-9999 (8) self-bump: 1.39188 Ang CA(56) at -13.334 22.826 7.6 in (null):P-9999 (8) and CB(57) at -12.1145 23.2623 7.09026 in (null):P-9999 (8) Number of specific fragments= 1 total=2449 # 1amp.280.281 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 280 :FAITDHGPD 1amp 282 :YAIEMGSAT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.14134 Ang C(32) at 34.82 17.95 19.67 in (null):T-9999 (4) and CD(59) at 37.0619 20.0757 19.1012 in (null):P-9999 (8) other bump:2.06164 Ang O(31) at 35.298 19.041 19.363 in (null):T-9999 (4) and CD(59) at 37.0619 20.0757 19.1012 in (null):P-9999 (8) neighbor-bump: 2.49414 Ang N(51) at 37.944 18.454 17.424 in (null):G-9999 (7) and CD(59) at 37.0619 20.0757 19.1012 in (null):P-9999 (8) other bump:2.90697 Ang C(40) at 37.795 17.699 20.606 in (null):D-9999 (5) and CD(59) at 37.0619 20.0757 19.1012 in (null):P-9999 (8) other bump:3.17373 Ang C(40) at 37.795 17.699 20.606 in (null):D-9999 (5) and CG(58) at 37.0958 20.7907 20.4479 in (null):P-9999 (8) other bump:3.21133 Ang CA(14) at 36.209 12.385 19.864 in (null):A-9999 (2) and CD2(45) at 39.1023 13.7097 20.2958 in (null):H-9999 (6) other bump:2.24533 Ang O(16) at 37.039 14.256 18.633 in (null):A-9999 (2) and CB(43) at 38.9933 15.2724 18.1978 in (null):H-9999 (6) other bump:2.42736 Ang CD1(6) at 34.855 13.683 24.753 in (null):F-9999 (1) and OD2(38) at 35.3821 16.0432 24.5437 in (null):D-9999 (5) Number of specific fragments= 1 total=2450 # 1qbqA.280.281 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 280 :FAITDHGPD 1qbqA 326 :QCDNKEDIL Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13318 Ang CA(34) at 208.385 86.177 46.849 in (null):D-9999 (5) and CD(59) at 210.26 87.9953 48.5795 in (null):P-9999 (8) other bump:2.87213 Ang C(40) at 207.797 86.57 48.191 in (null):D-9999 (5) and CD(59) at 210.26 87.9953 48.5795 in (null):P-9999 (8) other bump:1.48507 Ang O(31) at 210.524 86.534 48.558 in (null):T-9999 (4) and CD(59) at 210.26 87.9953 48.5795 in (null):P-9999 (8) other bump:2.55974 Ang C(32) at 210.541 85.574 47.798 in (null):T-9999 (4) and CD(59) at 210.26 87.9953 48.5795 in (null):P-9999 (8) other bump:2.46323 Ang O(31) at 210.524 86.534 48.558 in (null):T-9999 (4) and CG(58) at 210.543 88.6002 47.2172 in (null):P-9999 (8) other bump:3.08147 Ang C(32) at 210.541 85.574 47.798 in (null):T-9999 (4) and CG(58) at 210.543 88.6002 47.2172 in (null):P-9999 (8) other bump:2.19023 Ang O(16) at 209.218 84.498 44.197 in (null):A-9999 (2) and OD2(38) at 207.057 84.462 43.8394 in (null):D-9999 (5) other bump:2.53654 Ang CA(14) at 209.6 84.978 41.888 in (null):A-9999 (2) and OD1(37) at 208.794 85.7875 44.1528 in (null):D-9999 (5) other bump:1.35816 Ang O(16) at 209.218 84.498 44.197 in (null):A-9999 (2) and OD1(37) at 208.794 85.7875 44.1528 in (null):D-9999 (5) other bump:2.82572 Ang CB(15) at 210.286 86.338 41.817 in (null):A-9999 (2) and OD1(37) at 208.794 85.7875 44.1528 in (null):D-9999 (5) other bump:2.08697 Ang C(17) at 209.929 84.309 43.214 in (null):A-9999 (2) and OD1(37) at 208.794 85.7875 44.1528 in (null):D-9999 (5) other bump:2.88463 Ang N(13) at 208.172 85.145 41.701 in (null):A-9999 (2) and CG(36) at 207.753 85.2156 44.5542 in (null):D-9999 (5) other bump:1.66969 Ang O(16) at 209.218 84.498 44.197 in (null):A-9999 (2) and CG(36) at 207.753 85.2156 44.5542 in (null):D-9999 (5) other bump:2.7114 Ang C(17) at 209.929 84.309 43.214 in (null):A-9999 (2) and CG(36) at 207.753 85.2156 44.5542 in (null):D-9999 (5) neighbor-bump: 2.62655 Ang C(25) at 211.735 83.953 45.468 in (null):I-9999 (3) and CB(28) at 213.149 85.1992 47.2969 in (null):T-9999 (4) neighbor-bump: 2.87599 Ang CG2(22) at 211.556 81.9726 46.6712 in (null):I-9999 (3) and CA(27) at 211.713 84.604 47.821 in (null):T-9999 (4) neighbor-bump: 2.42644 Ang CB(20) at 211.255 81.7934 45.2023 in (null):I-9999 (3) and N(26) at 211.511 83.652 46.741 in (null):T-9999 (4) neighbor-bump: 1.68148 Ang CG2(22) at 211.556 81.9726 46.6712 in (null):I-9999 (3) and N(26) at 211.511 83.652 46.741 in (null):T-9999 (4) self-bump: 2.32423 Ang CG2(22) at 211.556 81.9726 46.6712 in (null):I-9999 (3) and C(25) at 211.735 83.953 45.468 in (null):I-9999 (3) self-bump: 1.29655 Ang CA(19) at 211.433 82.847 44.468 in (null):I-9999 (3) and CB(20) at 211.255 81.7934 45.2023 in (null):I-9999 (3) Number of specific fragments= 1 total=2451 # 2bnh.280.280 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 280 :FAITDHGPD 2bnh 280 :TLKELSLAG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.2235 Ang CA(42) at 8.279 46.492 22.37 in (null):H-9999 (6) and CD(59) at 5.54022 44.9 22.9662 in (null):P-9999 (8) other bump:2.50702 Ang CG(44) at 7.73101 44.0131 22.1301 in (null):H-9999 (6) and CD(59) at 5.54022 44.9 22.9662 in (null):P-9999 (8) other bump:1.48541 Ang CD2(45) at 6.39142 44.1587 22.0006 in (null):H-9999 (6) and CD(59) at 5.54022 44.9 22.9662 in (null):P-9999 (8) other bump:2.72541 Ang C(50) at 7.567 46.576 23.681 in (null):H-9999 (6) and CD(59) at 5.54022 44.9 22.9662 in (null):P-9999 (8) neighbor-bump: 2.24535 Ang N(51) at 6.294 46.914 23.612 in (null):G-9999 (7) and CD(59) at 5.54022 44.9 22.9662 in (null):P-9999 (8) other bump:2.22185 Ang CE1(47) at 6.81335 42.0078 22.1202 in (null):H-9999 (6) and CG(58) at 5.21151 43.4725 22.595 in (null):P-9999 (8) other bump:1.04152 Ang NE2(48) at 5.84297 42.8991 21.9974 in (null):H-9999 (6) and CG(58) at 5.21151 43.4725 22.595 in (null):P-9999 (8) other bump:2.61844 Ang CG(44) at 7.73101 44.0131 22.1301 in (null):H-9999 (6) and CG(58) at 5.21151 43.4725 22.595 in (null):P-9999 (8) other bump:1.48879 Ang CD2(45) at 6.39142 44.1587 22.0006 in (null):H-9999 (6) and CG(58) at 5.21151 43.4725 22.595 in (null):P-9999 (8) other bump:2.18168 Ang NE2(48) at 5.84297 42.8991 21.9974 in (null):H-9999 (6) and CB(57) at 3.77274 43.5597 22.1908 in (null):P-9999 (8) other bump:2.69305 Ang CD2(45) at 6.39142 44.1587 22.0006 in (null):H-9999 (6) and CB(57) at 3.77274 43.5597 22.1908 in (null):P-9999 (8) Number of specific fragments= 1 total=2452 # 1dryA.281.281 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 281 :AITDHGPDM 1dryA 282 :TPFSPRWDG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.25966 Ang O(42) at -14.385 23.287 5.889 in (null):G-9999 (6) and CD(48) at -12.4556 22.318 5.22221 in (null):P-9999 (7) neighbor-bump: 1.71986 Ang C(43) at -14.063 22.098 5.793 in (null):G-9999 (6) and CD(48) at -12.4556 22.318 5.22221 in (null):P-9999 (7) self-bump: 2.22447 Ang CA(45) at -12.251 22.351 7.437 in (null):P-9999 (7) and CD(48) at -12.4556 22.318 5.22221 in (null):P-9999 (7) Number of specific fragments= 1 total=2453 # 1drtA.281.281 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 281 :AITDHGPDM 1drtA 282 :TPFSPRWDG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.2118 Ang O(42) at -14.882 23.284 6.012 in (null):G-9999 (6) and CD(48) at -12.9618 22.4003 5.36084 in (null):P-9999 (7) neighbor-bump: 1.67026 Ang C(43) at -14.51 22.117 5.92 in (null):G-9999 (6) and CD(48) at -12.9618 22.4003 5.36084 in (null):P-9999 (7) self-bump: 2.23062 Ang CA(45) at -12.764 22.455 7.582 in (null):P-9999 (7) and CD(48) at -12.9618 22.4003 5.36084 in (null):P-9999 (7) self-bump: 1.3999 Ang CA(45) at -12.764 22.455 7.582 in (null):P-9999 (7) and CB(46) at -11.4831 22.8044 7.13837 in (null):P-9999 (7) Number of specific fragments= 1 total=2454 # 1ds1A.281.281 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 281 :AITDHGPDM 1ds1A 282 :TPFSPRWDG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11599 Ang O(42) at -15.533 23.592 6.104 in (null):G-9999 (6) and CD(48) at -13.6861 22.837 5.39942 in (null):P-9999 (7) neighbor-bump: 1.60282 Ang C(43) at -15.117 22.393 5.969 in (null):G-9999 (6) and CD(48) at -13.6861 22.837 5.39942 in (null):P-9999 (7) self-bump: 2.2286 Ang CA(45) at -13.334 22.826 7.6 in (null):P-9999 (7) and CD(48) at -13.6861 22.837 5.39942 in (null):P-9999 (7) self-bump: 1.39188 Ang CA(45) at -13.334 22.826 7.6 in (null):P-9999 (7) and CB(46) at -12.1145 23.2623 7.09026 in (null):P-9999 (7) Number of specific fragments= 1 total=2455 # 1qbqA.281.282 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 281 :AITDHGPDM 1qbqA 327 :CDNKEDILN Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13318 Ang CA(23) at 208.385 86.177 46.849 in (null):D-9999 (4) and CD(48) at 210.26 87.9953 48.5795 in (null):P-9999 (7) other bump:2.87213 Ang C(29) at 207.797 86.57 48.191 in (null):D-9999 (4) and CD(48) at 210.26 87.9953 48.5795 in (null):P-9999 (7) other bump:1.48507 Ang O(20) at 210.524 86.534 48.558 in (null):T-9999 (3) and CD(48) at 210.26 87.9953 48.5795 in (null):P-9999 (7) other bump:2.55974 Ang C(21) at 210.541 85.574 47.798 in (null):T-9999 (3) and CD(48) at 210.26 87.9953 48.5795 in (null):P-9999 (7) other bump:2.46323 Ang O(20) at 210.524 86.534 48.558 in (null):T-9999 (3) and CG(47) at 210.543 88.6002 47.2172 in (null):P-9999 (7) other bump:3.08147 Ang C(21) at 210.541 85.574 47.798 in (null):T-9999 (3) and CG(47) at 210.543 88.6002 47.2172 in (null):P-9999 (7) other bump:2.19023 Ang O(5) at 209.218 84.498 44.197 in (null):A-9999 (1) and OD2(27) at 207.057 84.462 43.8394 in (null):D-9999 (4) other bump:2.53654 Ang CA(3) at 209.6 84.978 41.888 in (null):A-9999 (1) and OD1(26) at 208.794 85.7875 44.1528 in (null):D-9999 (4) other bump:2.82572 Ang CB(4) at 210.286 86.338 41.817 in (null):A-9999 (1) and OD1(26) at 208.794 85.7875 44.1528 in (null):D-9999 (4) other bump:2.08697 Ang C(6) at 209.929 84.309 43.214 in (null):A-9999 (1) and OD1(26) at 208.794 85.7875 44.1528 in (null):D-9999 (4) other bump:1.35816 Ang O(5) at 209.218 84.498 44.197 in (null):A-9999 (1) and OD1(26) at 208.794 85.7875 44.1528 in (null):D-9999 (4) other bump:2.88463 Ang N(2) at 208.172 85.145 41.701 in (null):A-9999 (1) and CG(25) at 207.753 85.2156 44.5542 in (null):D-9999 (4) other bump:2.7114 Ang C(6) at 209.929 84.309 43.214 in (null):A-9999 (1) and CG(25) at 207.753 85.2156 44.5542 in (null):D-9999 (4) other bump:1.66969 Ang O(5) at 209.218 84.498 44.197 in (null):A-9999 (1) and CG(25) at 207.753 85.2156 44.5542 in (null):D-9999 (4) neighbor-bump: 2.62655 Ang C(14) at 211.735 83.953 45.468 in (null):I-9999 (2) and CB(17) at 213.149 85.1992 47.2969 in (null):T-9999 (3) neighbor-bump: 2.87599 Ang CG2(11) at 211.556 81.9726 46.6712 in (null):I-9999 (2) and CA(16) at 211.713 84.604 47.821 in (null):T-9999 (3) neighbor-bump: 2.42644 Ang CB(9) at 211.255 81.7934 45.2023 in (null):I-9999 (2) and N(15) at 211.511 83.652 46.741 in (null):T-9999 (3) neighbor-bump: 1.68148 Ang CG2(11) at 211.556 81.9726 46.6712 in (null):I-9999 (2) and N(15) at 211.511 83.652 46.741 in (null):T-9999 (3) self-bump: 2.32423 Ang CG2(11) at 211.556 81.9726 46.6712 in (null):I-9999 (2) and C(14) at 211.735 83.953 45.468 in (null):I-9999 (2) self-bump: 1.29655 Ang CA(8) at 211.433 82.847 44.468 in (null):I-9999 (2) and CB(9) at 211.255 81.7934 45.2023 in (null):I-9999 (2) Number of specific fragments= 1 total=2456 # 1amp.281.282 read from T0147_twice.t2k.frag # found chain 1amp in template set T0147_twice 281 :AITDHGPD 1amp 283 :AIEMGSAT Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:3.14134 Ang C(21) at 34.82 17.95 19.67 in (null):T-9999 (3) and CD(48) at 37.0619 20.0757 19.1012 in (null):P-9999 (7) other bump:2.06164 Ang O(20) at 35.298 19.041 19.363 in (null):T-9999 (3) and CD(48) at 37.0619 20.0757 19.1012 in (null):P-9999 (7) neighbor-bump: 2.49414 Ang N(40) at 37.944 18.454 17.424 in (null):G-9999 (6) and CD(48) at 37.0619 20.0757 19.1012 in (null):P-9999 (7) other bump:2.90697 Ang C(29) at 37.795 17.699 20.606 in (null):D-9999 (4) and CD(48) at 37.0619 20.0757 19.1012 in (null):P-9999 (7) other bump:3.17373 Ang C(29) at 37.795 17.699 20.606 in (null):D-9999 (4) and CG(47) at 37.0958 20.7907 20.4479 in (null):P-9999 (7) other bump:3.21133 Ang CA(3) at 36.209 12.385 19.864 in (null):A-9999 (1) and CD2(34) at 39.1023 13.7097 20.2958 in (null):H-9999 (5) other bump:2.24533 Ang O(5) at 37.039 14.256 18.633 in (null):A-9999 (1) and CB(32) at 38.9933 15.2724 18.1978 in (null):H-9999 (5) Number of specific fragments= 1 total=2457 # 2bnh.281.281 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 281 :AITDHGPDM 2bnh 281 :LKELSLAGN Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.2235 Ang CA(31) at 8.279 46.492 22.37 in (null):H-9999 (5) and CD(48) at 5.54022 44.9 22.9662 in (null):P-9999 (7) other bump:2.50702 Ang CG(33) at 7.73101 44.0131 22.1301 in (null):H-9999 (5) and CD(48) at 5.54022 44.9 22.9662 in (null):P-9999 (7) other bump:1.48541 Ang CD2(34) at 6.39142 44.1587 22.0006 in (null):H-9999 (5) and CD(48) at 5.54022 44.9 22.9662 in (null):P-9999 (7) other bump:2.72541 Ang C(39) at 7.567 46.576 23.681 in (null):H-9999 (5) and CD(48) at 5.54022 44.9 22.9662 in (null):P-9999 (7) neighbor-bump: 2.24535 Ang N(40) at 6.294 46.914 23.612 in (null):G-9999 (6) and CD(48) at 5.54022 44.9 22.9662 in (null):P-9999 (7) other bump:1.04152 Ang NE2(37) at 5.84297 42.8991 21.9974 in (null):H-9999 (5) and CG(47) at 5.21151 43.4725 22.595 in (null):P-9999 (7) other bump:2.22185 Ang CE1(36) at 6.81335 42.0078 22.1202 in (null):H-9999 (5) and CG(47) at 5.21151 43.4725 22.595 in (null):P-9999 (7) other bump:2.61844 Ang CG(33) at 7.73101 44.0131 22.1301 in (null):H-9999 (5) and CG(47) at 5.21151 43.4725 22.595 in (null):P-9999 (7) other bump:1.48879 Ang CD2(34) at 6.39142 44.1587 22.0006 in (null):H-9999 (5) and CG(47) at 5.21151 43.4725 22.595 in (null):P-9999 (7) other bump:2.18168 Ang NE2(37) at 5.84297 42.8991 21.9974 in (null):H-9999 (5) and CB(46) at 3.77274 43.5597 22.1908 in (null):P-9999 (7) other bump:2.69305 Ang CD2(34) at 6.39142 44.1587 22.0006 in (null):H-9999 (5) and CB(46) at 3.77274 43.5597 22.1908 in (null):P-9999 (7) Number of specific fragments= 1 total=2458 # 1dryA.282.282 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 282 :ITDHGPDME 1dryA 283 :PFSPRWDGK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.25966 Ang O(37) at -14.385 23.287 5.889 in (null):G-9999 (5) and CD(43) at -12.4556 22.318 5.22221 in (null):P-9999 (6) neighbor-bump: 1.71986 Ang C(38) at -14.063 22.098 5.793 in (null):G-9999 (5) and CD(43) at -12.4556 22.318 5.22221 in (null):P-9999 (6) self-bump: 2.22447 Ang CA(40) at -12.251 22.351 7.437 in (null):P-9999 (6) and CD(43) at -12.4556 22.318 5.22221 in (null):P-9999 (6) Number of specific fragments= 1 total=2459 # 1drtA.282.282 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 282 :ITDHGPDME 1drtA 283 :PFSPRWDGK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.2118 Ang O(37) at -14.882 23.284 6.012 in (null):G-9999 (5) and CD(43) at -12.9618 22.4003 5.36084 in (null):P-9999 (6) neighbor-bump: 1.67026 Ang C(38) at -14.51 22.117 5.92 in (null):G-9999 (5) and CD(43) at -12.9618 22.4003 5.36084 in (null):P-9999 (6) self-bump: 2.23062 Ang CA(40) at -12.764 22.455 7.582 in (null):P-9999 (6) and CD(43) at -12.9618 22.4003 5.36084 in (null):P-9999 (6) self-bump: 1.3999 Ang CA(40) at -12.764 22.455 7.582 in (null):P-9999 (6) and CB(41) at -11.4831 22.8044 7.13837 in (null):P-9999 (6) Number of specific fragments= 1 total=2460 # 1ds1A.282.282 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 282 :ITDHGPDME 1ds1A 283 :PFSPRWDGK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11599 Ang O(37) at -15.533 23.592 6.104 in (null):G-9999 (5) and CD(43) at -13.6861 22.837 5.39942 in (null):P-9999 (6) neighbor-bump: 1.60282 Ang C(38) at -15.117 22.393 5.969 in (null):G-9999 (5) and CD(43) at -13.6861 22.837 5.39942 in (null):P-9999 (6) self-bump: 2.2286 Ang CA(40) at -13.334 22.826 7.6 in (null):P-9999 (6) and CD(43) at -13.6861 22.837 5.39942 in (null):P-9999 (6) self-bump: 1.39188 Ang CA(40) at -13.334 22.826 7.6 in (null):P-9999 (6) and CB(41) at -12.1145 23.2623 7.09026 in (null):P-9999 (6) Number of specific fragments= 1 total=2461 # 1qbqA.282.283 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 282 :ITDHGPDME 1qbqA 328 :DNKEDILNK Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13318 Ang CA(18) at 208.385 86.177 46.849 in (null):D-9999 (3) and CD(43) at 210.26 87.9953 48.5795 in (null):P-9999 (6) other bump:2.87213 Ang C(24) at 207.797 86.57 48.191 in (null):D-9999 (3) and CD(43) at 210.26 87.9953 48.5795 in (null):P-9999 (6) other bump:1.48507 Ang O(15) at 210.524 86.534 48.558 in (null):T-9999 (2) and CD(43) at 210.26 87.9953 48.5795 in (null):P-9999 (6) other bump:2.55974 Ang C(16) at 210.541 85.574 47.798 in (null):T-9999 (2) and CD(43) at 210.26 87.9953 48.5795 in (null):P-9999 (6) other bump:2.46323 Ang O(15) at 210.524 86.534 48.558 in (null):T-9999 (2) and CG(42) at 210.543 88.6002 47.2172 in (null):P-9999 (6) other bump:3.08147 Ang C(16) at 210.541 85.574 47.798 in (null):T-9999 (2) and CG(42) at 210.543 88.6002 47.2172 in (null):P-9999 (6) other bump:2.19024 Ang O(0) at 209.218 84.498 44.197 in (null):G-9999 (0) and OD2(22) at 207.057 84.462 43.8394 in (null):D-9999 (3) other bump:1.35817 Ang O(0) at 209.218 84.498 44.197 in (null):G-9999 (0) and OD1(21) at 208.794 85.7875 44.1528 in (null):D-9999 (3) other bump:2.08699 Ang C(1) at 209.929 84.309 43.214 in (null):G-9999 (0) and OD1(21) at 208.794 85.7875 44.1528 in (null):D-9999 (3) other bump:1.6697 Ang O(0) at 209.218 84.498 44.197 in (null):G-9999 (0) and CG(20) at 207.753 85.2156 44.5542 in (null):D-9999 (3) other bump:2.71141 Ang C(1) at 209.929 84.309 43.214 in (null):G-9999 (0) and CG(20) at 207.753 85.2156 44.5542 in (null):D-9999 (3) neighbor-bump: 2.62655 Ang C(9) at 211.735 83.953 45.468 in (null):I-9999 (1) and CB(12) at 213.149 85.1992 47.2969 in (null):T-9999 (2) neighbor-bump: 2.87602 Ang CG2(6) at 211.556 81.9725 46.6712 in (null):I-9999 (1) and CA(11) at 211.713 84.604 47.821 in (null):T-9999 (2) neighbor-bump: 2.42646 Ang CB(4) at 211.255 81.7933 45.2023 in (null):I-9999 (1) and N(10) at 211.511 83.652 46.741 in (null):T-9999 (2) neighbor-bump: 1.68152 Ang CG2(6) at 211.556 81.9725 46.6712 in (null):I-9999 (1) and N(10) at 211.511 83.652 46.741 in (null):T-9999 (2) self-bump: 2.32425 Ang CG2(6) at 211.556 81.9725 46.6712 in (null):I-9999 (1) and C(9) at 211.735 83.953 45.468 in (null):I-9999 (1) self-bump: 1.29656 Ang CA(3) at 211.433 82.847 44.468 in (null):I-9999 (1) and CB(4) at 211.255 81.7933 45.2023 in (null):I-9999 (1) Number of specific fragments= 1 total=2462 # 2bnh.282.282 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 282 :ITDHGPDME 2bnh 282 :KELSLAGNK Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.24535 Ang N(35) at 6.294 46.914 23.612 in (null):G-9999 (5) and CD(43) at 5.54022 44.9 22.9662 in (null):P-9999 (6) other bump:3.2235 Ang CA(26) at 8.279 46.492 22.37 in (null):H-9999 (4) and CD(43) at 5.54022 44.9 22.9662 in (null):P-9999 (6) other bump:2.50702 Ang CG(28) at 7.73101 44.0131 22.1301 in (null):H-9999 (4) and CD(43) at 5.54022 44.9 22.9662 in (null):P-9999 (6) other bump:1.48541 Ang CD2(29) at 6.39142 44.1587 22.0006 in (null):H-9999 (4) and CD(43) at 5.54022 44.9 22.9662 in (null):P-9999 (6) other bump:2.72541 Ang C(34) at 7.567 46.576 23.681 in (null):H-9999 (4) and CD(43) at 5.54022 44.9 22.9662 in (null):P-9999 (6) other bump:1.04152 Ang NE2(32) at 5.84297 42.8991 21.9974 in (null):H-9999 (4) and CG(42) at 5.21151 43.4725 22.595 in (null):P-9999 (6) other bump:2.22185 Ang CE1(31) at 6.81335 42.0078 22.1202 in (null):H-9999 (4) and CG(42) at 5.21151 43.4725 22.595 in (null):P-9999 (6) other bump:2.61844 Ang CG(28) at 7.73101 44.0131 22.1301 in (null):H-9999 (4) and CG(42) at 5.21151 43.4725 22.595 in (null):P-9999 (6) other bump:1.48879 Ang CD2(29) at 6.39142 44.1587 22.0006 in (null):H-9999 (4) and CG(42) at 5.21151 43.4725 22.595 in (null):P-9999 (6) other bump:2.18168 Ang NE2(32) at 5.84297 42.8991 21.9974 in (null):H-9999 (4) and CB(41) at 3.77274 43.5597 22.1908 in (null):P-9999 (6) other bump:2.69305 Ang CD2(29) at 6.39142 44.1587 22.0006 in (null):H-9999 (4) and CB(41) at 3.77274 43.5597 22.1908 in (null):P-9999 (6) Number of specific fragments= 1 total=2463 # 1k8kB.282.284 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 282 :ITDHGPDME 1k8kB 285 :TIQAADIDT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70797 Ang CG(42) at -41.4659 44.8715 32.119 in (null):P-9999 (6) and OE2(68) at -40.9372 42.249 31.6993 in (null):E-9999 (9) other bump:2.31229 Ang CG(42) at -41.4659 44.8715 32.119 in (null):P-9999 (6) and CD(66) at -42.1109 42.6703 31.8271 in (null):E-9999 (9) other bump:2.46304 Ang CG(42) at -41.4659 44.8715 32.119 in (null):P-9999 (6) and CG(65) at -42.6087 42.9872 33.2188 in (null):E-9999 (9) Number of specific fragments= 1 total=2464 # 1dryA.283.283 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 283 :TDHGPDMED 1dryA 284 :FSPRWDGKD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.25966 Ang O(29) at -14.385 23.287 5.889 in (null):G-9999 (4) and CD(35) at -12.4556 22.318 5.22221 in (null):P-9999 (5) neighbor-bump: 1.71986 Ang C(30) at -14.063 22.098 5.793 in (null):G-9999 (4) and CD(35) at -12.4556 22.318 5.22221 in (null):P-9999 (5) self-bump: 2.22447 Ang CA(32) at -12.251 22.351 7.437 in (null):P-9999 (5) and CD(35) at -12.4556 22.318 5.22221 in (null):P-9999 (5) Number of specific fragments= 1 total=2465 # 1drtA.283.283 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 283 :TDHGPDMED 1drtA 284 :FSPRWDGKD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.2118 Ang O(29) at -14.882 23.284 6.012 in (null):G-9999 (4) and CD(35) at -12.9618 22.4003 5.36084 in (null):P-9999 (5) neighbor-bump: 1.67026 Ang C(30) at -14.51 22.117 5.92 in (null):G-9999 (4) and CD(35) at -12.9618 22.4003 5.36084 in (null):P-9999 (5) self-bump: 2.23062 Ang CA(32) at -12.764 22.455 7.582 in (null):P-9999 (5) and CD(35) at -12.9618 22.4003 5.36084 in (null):P-9999 (5) self-bump: 1.3999 Ang CA(32) at -12.764 22.455 7.582 in (null):P-9999 (5) and CB(33) at -11.4831 22.8044 7.13837 in (null):P-9999 (5) Number of specific fragments= 1 total=2466 # 1ds1A.283.283 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 283 :TDHGPDMED 1ds1A 284 :FSPRWDGKD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11599 Ang O(29) at -15.533 23.592 6.104 in (null):G-9999 (4) and CD(35) at -13.6861 22.837 5.39942 in (null):P-9999 (5) neighbor-bump: 1.60282 Ang C(30) at -15.117 22.393 5.969 in (null):G-9999 (4) and CD(35) at -13.6861 22.837 5.39942 in (null):P-9999 (5) self-bump: 2.2286 Ang CA(32) at -13.334 22.826 7.6 in (null):P-9999 (5) and CD(35) at -13.6861 22.837 5.39942 in (null):P-9999 (5) self-bump: 1.39188 Ang CA(32) at -13.334 22.826 7.6 in (null):P-9999 (5) and CB(33) at -12.1145 23.2623 7.09026 in (null):P-9999 (5) Number of specific fragments= 1 total=2467 # 1qbqA.283.284 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 283 :TDHGPDMED 1qbqA 329 :NKEDILNKA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13318 Ang CA(10) at 208.385 86.177 46.849 in (null):D-9999 (2) and CD(35) at 210.26 87.9953 48.5795 in (null):P-9999 (5) other bump:2.87213 Ang C(16) at 207.797 86.57 48.191 in (null):D-9999 (2) and CD(35) at 210.26 87.9953 48.5795 in (null):P-9999 (5) other bump:2.55974 Ang C(8) at 210.541 85.574 47.798 in (null):T-9999 (1) and CD(35) at 210.26 87.9953 48.5795 in (null):P-9999 (5) other bump:1.48507 Ang O(7) at 210.524 86.534 48.558 in (null):T-9999 (1) and CD(35) at 210.26 87.9953 48.5795 in (null):P-9999 (5) other bump:3.08147 Ang C(8) at 210.541 85.574 47.798 in (null):T-9999 (1) and CG(34) at 210.543 88.6002 47.2172 in (null):P-9999 (5) other bump:2.46323 Ang O(7) at 210.524 86.534 48.558 in (null):T-9999 (1) and CG(34) at 210.543 88.6002 47.2172 in (null):P-9999 (5) neighbor-bump: 2.62655 Ang C(1) at 211.735 83.953 45.468 in (null):G-9999 (0) and CB(4) at 213.149 85.1992 47.2969 in (null):T-9999 (1) Number of specific fragments= 1 total=2468 # 2bnh.283.283 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 283 :TDHGPDMED 2bnh 283 :ELSLAGNKL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.48541 Ang CD2(21) at 6.39142 44.1587 22.0006 in (null):H-9999 (3) and CD(35) at 5.54022 44.9 22.9662 in (null):P-9999 (5) neighbor-bump: 2.24535 Ang N(27) at 6.294 46.914 23.612 in (null):G-9999 (4) and CD(35) at 5.54022 44.9 22.9662 in (null):P-9999 (5) other bump:3.2235 Ang CA(18) at 8.279 46.492 22.37 in (null):H-9999 (3) and CD(35) at 5.54022 44.9 22.9662 in (null):P-9999 (5) other bump:2.50702 Ang CG(20) at 7.73101 44.0131 22.1301 in (null):H-9999 (3) and CD(35) at 5.54022 44.9 22.9662 in (null):P-9999 (5) other bump:2.72541 Ang C(26) at 7.567 46.576 23.681 in (null):H-9999 (3) and CD(35) at 5.54022 44.9 22.9662 in (null):P-9999 (5) other bump:2.22185 Ang CE1(23) at 6.81335 42.0078 22.1202 in (null):H-9999 (3) and CG(34) at 5.21151 43.4725 22.595 in (null):P-9999 (5) other bump:1.04152 Ang NE2(24) at 5.84297 42.8991 21.9974 in (null):H-9999 (3) and CG(34) at 5.21151 43.4725 22.595 in (null):P-9999 (5) other bump:1.48879 Ang CD2(21) at 6.39142 44.1587 22.0006 in (null):H-9999 (3) and CG(34) at 5.21151 43.4725 22.595 in (null):P-9999 (5) other bump:2.61844 Ang CG(20) at 7.73101 44.0131 22.1301 in (null):H-9999 (3) and CG(34) at 5.21151 43.4725 22.595 in (null):P-9999 (5) other bump:2.18168 Ang NE2(24) at 5.84297 42.8991 21.9974 in (null):H-9999 (3) and CB(33) at 3.77274 43.5597 22.1908 in (null):P-9999 (5) other bump:2.69305 Ang CD2(21) at 6.39142 44.1587 22.0006 in (null):H-9999 (3) and CB(33) at 3.77274 43.5597 22.1908 in (null):P-9999 (5) Number of specific fragments= 1 total=2469 # 1k8kB.283.285 read from T0147_twice.t2k.frag # found chain 1k8kB in template set T0147_twice 283 :TDHGPDMED 1k8kB 286 :IQAADIDTR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2470 # 1dryA.284.284 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 284 :DHGPDMEDA 1dryA 285 :SPRWDGKDR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.25966 Ang O(22) at -14.385 23.287 5.889 in (null):G-9999 (3) and CD(28) at -12.4556 22.318 5.22221 in (null):P-9999 (4) neighbor-bump: 1.71986 Ang C(23) at -14.063 22.098 5.793 in (null):G-9999 (3) and CD(28) at -12.4556 22.318 5.22221 in (null):P-9999 (4) self-bump: 2.22447 Ang CA(25) at -12.251 22.351 7.437 in (null):P-9999 (4) and CD(28) at -12.4556 22.318 5.22221 in (null):P-9999 (4) Number of specific fragments= 1 total=2471 # 1drtA.284.284 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 284 :DHGPDMEDA 1drtA 285 :SPRWDGKDR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.2118 Ang O(22) at -14.882 23.284 6.012 in (null):G-9999 (3) and CD(28) at -12.9618 22.4003 5.36084 in (null):P-9999 (4) neighbor-bump: 1.67026 Ang C(23) at -14.51 22.117 5.92 in (null):G-9999 (3) and CD(28) at -12.9618 22.4003 5.36084 in (null):P-9999 (4) self-bump: 2.23062 Ang CA(25) at -12.764 22.455 7.582 in (null):P-9999 (4) and CD(28) at -12.9618 22.4003 5.36084 in (null):P-9999 (4) self-bump: 1.3999 Ang CA(25) at -12.764 22.455 7.582 in (null):P-9999 (4) and CB(26) at -11.4831 22.8044 7.13837 in (null):P-9999 (4) Number of specific fragments= 1 total=2472 # 1ds1A.284.284 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 284 :DHGPDMEDA 1ds1A 285 :SPRWDGKDR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11599 Ang O(22) at -15.533 23.592 6.104 in (null):G-9999 (3) and CD(28) at -13.6861 22.837 5.39942 in (null):P-9999 (4) neighbor-bump: 1.60282 Ang C(23) at -15.117 22.393 5.969 in (null):G-9999 (3) and CD(28) at -13.6861 22.837 5.39942 in (null):P-9999 (4) self-bump: 2.2286 Ang CA(25) at -13.334 22.826 7.6 in (null):P-9999 (4) and CD(28) at -13.6861 22.837 5.39942 in (null):P-9999 (4) self-bump: 1.39188 Ang CA(25) at -13.334 22.826 7.6 in (null):P-9999 (4) and CB(26) at -12.1145 23.2623 7.09026 in (null):P-9999 (4) Number of specific fragments= 1 total=2473 # 2bnh.284.284 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 284 :DHGPDMEDA 2bnh 284 :LSLAGNKLG Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.35058 Ang CB(66) at -6.32082 51.1498 26.5362 in (null):A-9999 (9) and N(69) at -5.915 53.147 25.365 in (null):G-9999 (10) self-bump: 2.16079 Ang CB(66) at -6.32082 51.1498 26.5362 in (null):A-9999 (9) and C(68) at -4.825 52.526 25.803 in (null):A-9999 (9) self-bump: 1.26977 Ang CA(65) at -5.06 51.272 26.624 in (null):A-9999 (9) and CB(66) at -6.32082 51.1498 26.5362 in (null):A-9999 (9) other bump:3.2235 Ang CA(11) at 8.279 46.492 22.37 in (null):H-9999 (2) and CD(28) at 5.54022 44.9 22.9662 in (null):P-9999 (4) other bump:2.50702 Ang CG(13) at 7.73101 44.0131 22.1301 in (null):H-9999 (2) and CD(28) at 5.54022 44.9 22.9662 in (null):P-9999 (4) other bump:1.48541 Ang CD2(14) at 6.39142 44.1587 22.0006 in (null):H-9999 (2) and CD(28) at 5.54022 44.9 22.9662 in (null):P-9999 (4) other bump:2.72541 Ang C(19) at 7.567 46.576 23.681 in (null):H-9999 (2) and CD(28) at 5.54022 44.9 22.9662 in (null):P-9999 (4) neighbor-bump: 2.24535 Ang N(20) at 6.294 46.914 23.612 in (null):G-9999 (3) and CD(28) at 5.54022 44.9 22.9662 in (null):P-9999 (4) other bump:2.22185 Ang CE1(16) at 6.81335 42.0078 22.1202 in (null):H-9999 (2) and CG(27) at 5.21151 43.4725 22.595 in (null):P-9999 (4) other bump:1.04152 Ang NE2(17) at 5.84297 42.8991 21.9974 in (null):H-9999 (2) and CG(27) at 5.21151 43.4725 22.595 in (null):P-9999 (4) other bump:2.61844 Ang CG(13) at 7.73101 44.0131 22.1301 in (null):H-9999 (2) and CG(27) at 5.21151 43.4725 22.595 in (null):P-9999 (4) other bump:1.48879 Ang CD2(14) at 6.39142 44.1587 22.0006 in (null):H-9999 (2) and CG(27) at 5.21151 43.4725 22.595 in (null):P-9999 (4) other bump:2.18168 Ang NE2(17) at 5.84297 42.8991 21.9974 in (null):H-9999 (2) and CB(26) at 3.77274 43.5597 22.1908 in (null):P-9999 (4) other bump:2.69305 Ang CD2(14) at 6.39142 44.1587 22.0006 in (null):H-9999 (2) and CB(26) at 3.77274 43.5597 22.1908 in (null):P-9999 (4) Number of specific fragments= 1 total=2474 # 1qbqA.284.285 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 284 :DHGPDMEDA 1qbqA 330 :KEDILNKAL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13318 Ang CA(3) at 208.385 86.177 46.849 in (null):D-9999 (1) and CD(28) at 210.26 87.9953 48.5795 in (null):P-9999 (4) other bump:2.87213 Ang C(9) at 207.797 86.57 48.191 in (null):D-9999 (1) and CD(28) at 210.26 87.9953 48.5795 in (null):P-9999 (4) other bump:1.48507 Ang O(0) at 210.524 86.534 48.558 in (null):G-9999 (0) and CD(28) at 210.26 87.9953 48.5795 in (null):P-9999 (4) other bump:2.55974 Ang C(1) at 210.541 85.574 47.798 in (null):G-9999 (0) and CD(28) at 210.26 87.9953 48.5795 in (null):P-9999 (4) other bump:2.46323 Ang O(0) at 210.524 86.534 48.558 in (null):G-9999 (0) and CG(27) at 210.543 88.6002 47.2172 in (null):P-9999 (4) other bump:3.08147 Ang C(1) at 210.541 85.574 47.798 in (null):G-9999 (0) and CG(27) at 210.543 88.6002 47.2172 in (null):P-9999 (4) Number of specific fragments= 1 total=2475 # 2bnh.284.286 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 284 :DHGPDMEDA 2bnh 286 :LAGNKLGDE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.69923 Ang C(46) at -2.964 51.035 27.8 in (null):M-9999 (6) and CB(49) at -5.50954 51.8986 28.0454 in (null):E-9999 (7) other bump:3.26171 Ang CA(11) at 3.166 44.468 23.274 in (null):H-9999 (2) and CD(28) at 2.21163 45.0731 26.3337 in (null):P-9999 (4) other bump:2.21697 Ang O(18) at 3.444 43.479 25.409 in (null):H-9999 (2) and CD(28) at 2.21163 45.0731 26.3337 in (null):P-9999 (4) other bump:2.3641 Ang C(19) at 2.677 43.691 24.473 in (null):H-9999 (2) and CD(28) at 2.21163 45.0731 26.3337 in (null):P-9999 (4) other bump:1.95474 Ang O(8) at 3.318 46.375 25.384 in (null):D-9999 (1) and CD(28) at 2.21163 45.0731 26.3337 in (null):P-9999 (4) other bump:2.91652 Ang C(9) at 4.261 46.227 24.609 in (null):D-9999 (1) and CD(28) at 2.21163 45.0731 26.3337 in (null):P-9999 (4) other bump:1.88036 Ang O(8) at 3.318 46.375 25.384 in (null):D-9999 (1) and CG(27) at 2.30835 46.4408 26.9689 in (null):P-9999 (4) other bump:3.07049 Ang C(9) at 4.261 46.227 24.609 in (null):D-9999 (1) and CG(27) at 2.30835 46.4408 26.9689 in (null):P-9999 (4) Number of specific fragments= 1 total=2476 # 1dryA.285.285 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 285 :HGPDMEDAP 1dryA 286 :PRWDGKDRW Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.27539 Ang O(54) at -13.307 14.574 10.676 in (null):D-9999 (7) and CD(65) at -12.8615 12.3849 11.1082 in (null):P-9999 (9) neighbor-bump: 1.83951 Ang C(60) at -11.788 12.473 9.617 in (null):A-9999 (8) and CD(65) at -12.8615 12.3849 11.1082 in (null):P-9999 (9) neighbor-bump: 2.25966 Ang O(14) at -14.385 23.287 5.889 in (null):G-9999 (2) and CD(20) at -12.4556 22.318 5.22221 in (null):P-9999 (3) neighbor-bump: 1.71986 Ang C(15) at -14.063 22.098 5.793 in (null):G-9999 (2) and CD(20) at -12.4556 22.318 5.22221 in (null):P-9999 (3) self-bump: 2.22447 Ang CA(17) at -12.251 22.351 7.437 in (null):P-9999 (3) and CD(20) at -12.4556 22.318 5.22221 in (null):P-9999 (3) Number of specific fragments= 1 total=2477 # 1drtA.285.285 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 285 :HGPDMEDAP 1drtA 286 :PRWDGKDRW Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.33851 Ang O(54) at -13.772 14.464 10.473 in (null):D-9999 (7) and CD(65) at -13.2344 12.3038 11.1893 in (null):P-9999 (9) neighbor-bump: 2.05565 Ang C(60) at -12.01 12.455 9.545 in (null):A-9999 (8) and CD(65) at -13.2344 12.3038 11.1893 in (null):P-9999 (9) neighbor-bump: 2.2118 Ang O(14) at -14.882 23.284 6.012 in (null):G-9999 (2) and CD(20) at -12.9618 22.4003 5.36084 in (null):P-9999 (3) neighbor-bump: 1.67026 Ang C(15) at -14.51 22.117 5.92 in (null):G-9999 (2) and CD(20) at -12.9618 22.4003 5.36084 in (null):P-9999 (3) self-bump: 2.23062 Ang CA(17) at -12.764 22.455 7.582 in (null):P-9999 (3) and CD(20) at -12.9618 22.4003 5.36084 in (null):P-9999 (3) self-bump: 1.3999 Ang CA(17) at -12.764 22.455 7.582 in (null):P-9999 (3) and CB(18) at -11.4831 22.8044 7.13837 in (null):P-9999 (3) Number of specific fragments= 1 total=2478 # 1ds1A.285.285 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 285 :HGPDMEDAP 1ds1A 286 :PRWDGKDRW Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.29134 Ang O(54) at -14.041 14.725 10.702 in (null):D-9999 (7) and CD(65) at -13.6062 12.5163 11.1295 in (null):P-9999 (9) neighbor-bump: 1.95351 Ang C(60) at -12.423 12.724 9.589 in (null):A-9999 (8) and CD(65) at -13.6062 12.5163 11.1295 in (null):P-9999 (9) neighbor-bump: 2.11599 Ang O(14) at -15.533 23.592 6.104 in (null):G-9999 (2) and CD(20) at -13.6861 22.837 5.39942 in (null):P-9999 (3) neighbor-bump: 1.60282 Ang C(15) at -15.117 22.393 5.969 in (null):G-9999 (2) and CD(20) at -13.6861 22.837 5.39942 in (null):P-9999 (3) self-bump: 2.2286 Ang CA(17) at -13.334 22.826 7.6 in (null):P-9999 (3) and CD(20) at -13.6861 22.837 5.39942 in (null):P-9999 (3) self-bump: 1.39188 Ang CA(17) at -13.334 22.826 7.6 in (null):P-9999 (3) and CB(18) at -12.1145 23.2623 7.09026 in (null):P-9999 (3) Number of specific fragments= 1 total=2479 # 2bnh.285.285 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 285 :HGPDMEDAP 2bnh 285 :SLAGNKLGD Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.05068 Ang CB(58) at -6.32082 51.1498 26.5362 in (null):A-9999 (8) and CD(65) at -7.27841 52.63 25.4887 in (null):P-9999 (9) neighbor-bump: 2.35058 Ang CB(58) at -6.32082 51.1498 26.5362 in (null):A-9999 (8) and N(61) at -5.915 53.147 25.365 in (null):P-9999 (9) self-bump: 2.16079 Ang CB(58) at -6.32082 51.1498 26.5362 in (null):A-9999 (8) and C(60) at -4.825 52.526 25.803 in (null):A-9999 (8) self-bump: 1.26978 Ang CA(57) at -5.06 51.272 26.624 in (null):A-9999 (8) and CB(58) at -6.32082 51.1498 26.5362 in (null):A-9999 (8) other bump:3.2235 Ang CA(3) at 8.279 46.492 22.37 in (null):H-9999 (1) and CD(20) at 5.54022 44.9 22.9662 in (null):P-9999 (3) other bump:2.50702 Ang CG(5) at 7.73101 44.0131 22.1301 in (null):H-9999 (1) and CD(20) at 5.54022 44.9 22.9662 in (null):P-9999 (3) other bump:1.4854 Ang CD2(6) at 6.39142 44.1587 22.0006 in (null):H-9999 (1) and CD(20) at 5.54022 44.9 22.9662 in (null):P-9999 (3) other bump:2.72541 Ang C(11) at 7.567 46.576 23.681 in (null):H-9999 (1) and CD(20) at 5.54022 44.9 22.9662 in (null):P-9999 (3) neighbor-bump: 2.24535 Ang N(12) at 6.294 46.914 23.612 in (null):G-9999 (2) and CD(20) at 5.54022 44.9 22.9662 in (null):P-9999 (3) other bump:2.22185 Ang CE1(8) at 6.81335 42.0078 22.1202 in (null):H-9999 (1) and CG(19) at 5.21151 43.4725 22.595 in (null):P-9999 (3) other bump:1.04151 Ang NE2(9) at 5.84297 42.8991 21.9974 in (null):H-9999 (1) and CG(19) at 5.21151 43.4725 22.595 in (null):P-9999 (3) other bump:2.61844 Ang CG(5) at 7.73101 44.0131 22.1301 in (null):H-9999 (1) and CG(19) at 5.21151 43.4725 22.595 in (null):P-9999 (3) other bump:1.48879 Ang CD2(6) at 6.39142 44.1587 22.0006 in (null):H-9999 (1) and CG(19) at 5.21151 43.4725 22.595 in (null):P-9999 (3) other bump:2.18168 Ang NE2(9) at 5.84297 42.8991 21.9974 in (null):H-9999 (1) and CB(18) at 3.77274 43.5597 22.1908 in (null):P-9999 (3) other bump:2.69305 Ang CD2(6) at 6.39142 44.1587 22.0006 in (null):H-9999 (1) and CB(18) at 3.77274 43.5597 22.1908 in (null):P-9999 (3) Number of specific fragments= 1 total=2480 # 1qbqA.285.286 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 285 :HGPDMEDAP 1qbqA 331 :EDILNKALE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87213 Ang C(1) at 207.797 86.57 48.191 in (null):G-9999 (0) and CD(20) at 210.26 87.9953 48.5795 in (null):P-9999 (3) Number of specific fragments= 1 total=2481 # 1frb.285.285 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 285 :HGPDMEDAP 1frb 286 :ATILSFNRN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.21293 Ang O(59) at 93.163 5.378 20.371 in (null):A-9999 (8) and CD(65) at 94.067 6.41085 22.1068 in (null):P-9999 (9) neighbor-bump: 1.7352 Ang C(60) at 93.931 4.925 21.221 in (null):A-9999 (8) and CD(65) at 94.067 6.41085 22.1068 in (null):P-9999 (9) self-bump: 2.22295 Ang CA(62) at 92.309 5.382 22.997 in (null):P-9999 (9) and CD(65) at 94.067 6.41085 22.1068 in (null):P-9999 (9) Number of specific fragments= 1 total=2482 # 1dryA.286.286 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 286 :GPDMEDAPH 1dryA 287 :RWDGKDRWL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.14756 Ang O(44) at -13.307 14.574 10.676 in (null):D-9999 (6) and CD(55) at -12.7787 12.5077 10.9279 in (null):P-9999 (8) other bump:2.86658 Ang C(45) at -13.381 14.897 9.463 in (null):D-9999 (6) and CD(55) at -12.7787 12.5077 10.9279 in (null):P-9999 (8) neighbor-bump: 2.33171 Ang CA(47) at -12.95 12.616 8.605 in (null):A-9999 (7) and CD(55) at -12.7787 12.5077 10.9279 in (null):P-9999 (8) neighbor-bump: 1.64353 Ang C(50) at -11.788 12.473 9.617 in (null):A-9999 (7) and CD(55) at -12.7787 12.5077 10.9279 in (null):P-9999 (8) other bump:2.25294 Ang O(44) at -13.307 14.574 10.676 in (null):D-9999 (6) and CG(54) at -11.8627 13.2861 11.8297 in (null):P-9999 (8) other bump:3.24062 Ang C(45) at -13.381 14.897 9.463 in (null):D-9999 (6) and CG(54) at -11.8627 13.2861 11.8297 in (null):P-9999 (8) neighbor-bump: 2.3586 Ang C(50) at -11.788 12.473 9.617 in (null):A-9999 (7) and CG(54) at -11.8627 13.2861 11.8297 in (null):P-9999 (8) neighbor-bump: 2.51369 Ang O(49) at -10.805 13.234 9.55 in (null):A-9999 (7) and CG(54) at -11.8627 13.2861 11.8297 in (null):P-9999 (8) neighbor-bump: 2.25966 Ang O(4) at -14.385 23.287 5.889 in (null):G-9999 (1) and CD(10) at -12.4556 22.318 5.22221 in (null):P-9999 (2) neighbor-bump: 1.71986 Ang C(5) at -14.063 22.098 5.793 in (null):G-9999 (1) and CD(10) at -12.4556 22.318 5.22221 in (null):P-9999 (2) self-bump: 2.22447 Ang CA(7) at -12.251 22.351 7.437 in (null):P-9999 (2) and CD(10) at -12.4556 22.318 5.22221 in (null):P-9999 (2) Number of specific fragments= 1 total=2483 # 1drtA.286.286 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 286 :GPDMEDAPH 1drtA 287 :RWDGKDRWL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.18588 Ang O(44) at -13.772 14.464 10.473 in (null):D-9999 (6) and CD(55) at -13.1666 12.433 11.0083 in (null):P-9999 (8) neighbor-bump: 1.86528 Ang C(50) at -12.01 12.455 9.545 in (null):A-9999 (7) and CD(55) at -13.1666 12.433 11.0083 in (null):P-9999 (8) other bump:2.39209 Ang O(44) at -13.772 14.464 10.473 in (null):D-9999 (6) and CG(54) at -12.2732 13.2561 11.8931 in (null):P-9999 (8) neighbor-bump: 2.49492 Ang C(50) at -12.01 12.455 9.545 in (null):A-9999 (7) and CG(54) at -12.2732 13.2561 11.8931 in (null):P-9999 (8) neighbor-bump: 2.2118 Ang O(4) at -14.882 23.284 6.012 in (null):G-9999 (1) and CD(10) at -12.9618 22.4003 5.36084 in (null):P-9999 (2) neighbor-bump: 1.67026 Ang C(5) at -14.51 22.117 5.92 in (null):G-9999 (1) and CD(10) at -12.9618 22.4003 5.36084 in (null):P-9999 (2) self-bump: 2.23062 Ang CA(7) at -12.764 22.455 7.582 in (null):P-9999 (2) and CD(10) at -12.9618 22.4003 5.36084 in (null):P-9999 (2) self-bump: 1.3999 Ang CA(7) at -12.764 22.455 7.582 in (null):P-9999 (2) and CB(8) at -11.4831 22.8044 7.13837 in (null):P-9999 (2) Number of specific fragments= 1 total=2484 # 1ds1A.286.286 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 286 :GPDMEDAPH 1ds1A 287 :RWDGKDRWL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15117 Ang O(44) at -14.041 14.725 10.702 in (null):D-9999 (6) and CD(55) at -13.5269 12.6518 10.9575 in (null):P-9999 (8) other bump:2.90112 Ang C(45) at -14.169 15.098 9.536 in (null):D-9999 (6) and CD(55) at -13.5269 12.6518 10.9575 in (null):P-9999 (8) neighbor-bump: 2.38178 Ang CA(47) at -13.575 12.889 8.588 in (null):A-9999 (7) and CD(55) at -13.5269 12.6518 10.9575 in (null):P-9999 (8) neighbor-bump: 1.75969 Ang C(50) at -12.423 12.724 9.589 in (null):A-9999 (7) and CD(55) at -13.5269 12.6518 10.9575 in (null):P-9999 (8) other bump:2.25119 Ang O(44) at -14.041 14.725 10.702 in (null):D-9999 (6) and CG(54) at -12.6686 13.4219 11.9212 in (null):P-9999 (8) other bump:3.27865 Ang C(45) at -14.169 15.098 9.536 in (null):D-9999 (6) and CG(54) at -12.6686 13.4219 11.9212 in (null):P-9999 (8) neighbor-bump: 2.44675 Ang C(50) at -12.423 12.724 9.589 in (null):A-9999 (7) and CG(54) at -12.6686 13.4219 11.9212 in (null):P-9999 (8) neighbor-bump: 2.11599 Ang O(4) at -15.533 23.592 6.104 in (null):G-9999 (1) and CD(10) at -13.6861 22.837 5.39942 in (null):P-9999 (2) neighbor-bump: 1.60282 Ang C(5) at -15.117 22.393 5.969 in (null):G-9999 (1) and CD(10) at -13.6861 22.837 5.39942 in (null):P-9999 (2) self-bump: 2.2286 Ang CA(7) at -13.334 22.826 7.6 in (null):P-9999 (2) and CD(10) at -13.6861 22.837 5.39942 in (null):P-9999 (2) self-bump: 1.39188 Ang CA(7) at -13.334 22.826 7.6 in (null):P-9999 (2) and CB(8) at -12.1145 23.2623 7.09026 in (null):P-9999 (2) Number of specific fragments= 1 total=2485 # 2bnh.286.286 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 286 :GPDMEDAPH 2bnh 286 :LAGNKLGDE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.90091 Ang CB(48) at -6.32082 51.1498 26.5362 in (null):A-9999 (7) and CD(55) at -7.12979 52.4781 25.4432 in (null):P-9999 (8) self-bump: 1.38899 Ang N(51) at -5.915 53.147 25.365 in (null):P-9999 (8) and CD(55) at -7.12979 52.4781 25.4432 in (null):P-9999 (8) neighbor-bump: 2.35058 Ang CB(48) at -6.32082 51.1498 26.5362 in (null):A-9999 (7) and N(51) at -5.915 53.147 25.365 in (null):P-9999 (8) self-bump: 2.16079 Ang CB(48) at -6.32082 51.1498 26.5362 in (null):A-9999 (7) and C(50) at -4.825 52.526 25.803 in (null):A-9999 (7) self-bump: 1.26978 Ang CA(47) at -5.06 51.272 26.624 in (null):A-9999 (7) and CB(48) at -6.32082 51.1498 26.5362 in (null):A-9999 (7) other bump:2.72541 Ang C(1) at 7.567 46.576 23.681 in (null):G-9999 (0) and CD(10) at 5.54022 44.9 22.9662 in (null):P-9999 (2) neighbor-bump: 2.24535 Ang N(2) at 6.294 46.914 23.612 in (null):G-9999 (1) and CD(10) at 5.54022 44.9 22.9662 in (null):P-9999 (2) Number of specific fragments= 1 total=2486 # 1qbqA.286.287 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 286 :GPDMEDAPH 1qbqA 332 :DILNKALEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30416 Ang OE2(35) at 213.279 96.8823 51.4186 in (null):E-9999 (5) and NE2(65) at 212.441 99.0092 51.1306 in (null):H-9999 (9) other bump:2.78747 Ang OE2(35) at 213.279 96.8823 51.4186 in (null):E-9999 (5) and CD2(62) at 211.119 98.6418 51.3343 in (null):H-9999 (9) Number of specific fragments= 1 total=2487 # 1frb.286.286 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 286 :GPDMEDAPH 1frb 287 :TILSFNRNW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.21293 Ang O(49) at 93.163 5.378 20.371 in (null):A-9999 (7) and CD(55) at 94.067 6.41086 22.1068 in (null):P-9999 (8) neighbor-bump: 1.73521 Ang C(50) at 93.931 4.925 21.221 in (null):A-9999 (7) and CD(55) at 94.067 6.41086 22.1068 in (null):P-9999 (8) self-bump: 2.22295 Ang CA(52) at 92.309 5.382 22.997 in (null):P-9999 (8) and CD(55) at 94.067 6.41086 22.1068 in (null):P-9999 (8) Number of specific fragments= 1 total=2488 # 1dryA.287.287 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 287 :PDMEDAPHH 1dryA 288 :WDGKDRWLH Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.33171 Ang CA(43) at -12.95 12.616 8.605 in (null):A-9999 (6) and CD(51) at -12.7787 12.5077 10.9279 in (null):P-9999 (7) other bump:2.14756 Ang O(40) at -13.307 14.574 10.676 in (null):D-9999 (5) and CD(51) at -12.7787 12.5077 10.9279 in (null):P-9999 (7) other bump:2.86658 Ang C(41) at -13.381 14.897 9.463 in (null):D-9999 (5) and CD(51) at -12.7787 12.5077 10.9279 in (null):P-9999 (7) neighbor-bump: 1.64353 Ang C(46) at -11.788 12.473 9.617 in (null):A-9999 (6) and CD(51) at -12.7787 12.5077 10.9279 in (null):P-9999 (7) other bump:2.25294 Ang O(40) at -13.307 14.574 10.676 in (null):D-9999 (5) and CG(50) at -11.8627 13.2861 11.8297 in (null):P-9999 (7) other bump:3.24062 Ang C(41) at -13.381 14.897 9.463 in (null):D-9999 (5) and CG(50) at -11.8627 13.2861 11.8297 in (null):P-9999 (7) neighbor-bump: 2.51369 Ang O(45) at -10.805 13.234 9.55 in (null):A-9999 (6) and CG(50) at -11.8627 13.2861 11.8297 in (null):P-9999 (7) neighbor-bump: 2.3586 Ang C(46) at -11.788 12.473 9.617 in (null):A-9999 (6) and CG(50) at -11.8627 13.2861 11.8297 in (null):P-9999 (7) neighbor-bump: 2.25966 Ang O(0) at -14.385 23.287 5.889 in (null):G-9999 (0) and CD(6) at -12.4556 22.318 5.22221 in (null):P-9999 (1) neighbor-bump: 1.71985 Ang C(1) at -14.063 22.098 5.793 in (null):G-9999 (0) and CD(6) at -12.4556 22.318 5.22221 in (null):P-9999 (1) self-bump: 2.22447 Ang CA(3) at -12.251 22.351 7.437 in (null):P-9999 (1) and CD(6) at -12.4556 22.318 5.22221 in (null):P-9999 (1) Number of specific fragments= 1 total=2489 # 1drtA.287.287 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 287 :PDMEDAPHH 1drtA 288 :WDGKDRWLH Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.18588 Ang O(40) at -13.772 14.464 10.473 in (null):D-9999 (5) and CD(51) at -13.1666 12.433 11.0083 in (null):P-9999 (7) neighbor-bump: 1.86528 Ang C(46) at -12.01 12.455 9.545 in (null):A-9999 (6) and CD(51) at -13.1666 12.433 11.0083 in (null):P-9999 (7) other bump:2.39209 Ang O(40) at -13.772 14.464 10.473 in (null):D-9999 (5) and CG(50) at -12.2732 13.2561 11.8931 in (null):P-9999 (7) neighbor-bump: 2.49492 Ang C(46) at -12.01 12.455 9.545 in (null):A-9999 (6) and CG(50) at -12.2732 13.2561 11.8931 in (null):P-9999 (7) neighbor-bump: 2.2118 Ang O(0) at -14.882 23.284 6.012 in (null):G-9999 (0) and CD(6) at -12.9618 22.4003 5.36084 in (null):P-9999 (1) neighbor-bump: 1.67026 Ang C(1) at -14.51 22.117 5.92 in (null):G-9999 (0) and CD(6) at -12.9618 22.4003 5.36084 in (null):P-9999 (1) self-bump: 2.23062 Ang CA(3) at -12.764 22.455 7.582 in (null):P-9999 (1) and CD(6) at -12.9618 22.4003 5.36084 in (null):P-9999 (1) self-bump: 1.3999 Ang CA(3) at -12.764 22.455 7.582 in (null):P-9999 (1) and CB(4) at -11.4831 22.8044 7.13837 in (null):P-9999 (1) Number of specific fragments= 1 total=2490 # 1ds1A.287.287 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 287 :PDMEDAPHH 1ds1A 288 :WDGKDRWLH Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.38178 Ang CA(43) at -13.575 12.889 8.588 in (null):A-9999 (6) and CD(51) at -13.5269 12.6518 10.9575 in (null):P-9999 (7) other bump:2.15117 Ang O(40) at -14.041 14.725 10.702 in (null):D-9999 (5) and CD(51) at -13.5269 12.6518 10.9575 in (null):P-9999 (7) other bump:2.90112 Ang C(41) at -14.169 15.098 9.536 in (null):D-9999 (5) and CD(51) at -13.5269 12.6518 10.9575 in (null):P-9999 (7) neighbor-bump: 1.75969 Ang C(46) at -12.423 12.724 9.589 in (null):A-9999 (6) and CD(51) at -13.5269 12.6518 10.9575 in (null):P-9999 (7) other bump:2.25119 Ang O(40) at -14.041 14.725 10.702 in (null):D-9999 (5) and CG(50) at -12.6686 13.4219 11.9212 in (null):P-9999 (7) other bump:3.27865 Ang C(41) at -14.169 15.098 9.536 in (null):D-9999 (5) and CG(50) at -12.6686 13.4219 11.9212 in (null):P-9999 (7) neighbor-bump: 2.44675 Ang C(46) at -12.423 12.724 9.589 in (null):A-9999 (6) and CG(50) at -12.6686 13.4219 11.9212 in (null):P-9999 (7) neighbor-bump: 2.11599 Ang O(0) at -15.533 23.592 6.104 in (null):G-9999 (0) and CD(6) at -13.6861 22.837 5.39942 in (null):P-9999 (1) neighbor-bump: 1.60282 Ang C(1) at -15.117 22.393 5.969 in (null):G-9999 (0) and CD(6) at -13.6861 22.837 5.39942 in (null):P-9999 (1) self-bump: 2.2286 Ang CA(3) at -13.334 22.826 7.6 in (null):P-9999 (1) and CD(6) at -13.6861 22.837 5.39942 in (null):P-9999 (1) self-bump: 1.39188 Ang CA(3) at -13.334 22.826 7.6 in (null):P-9999 (1) and CB(4) at -12.1145 23.2623 7.09026 in (null):P-9999 (1) Number of specific fragments= 1 total=2491 # 2bnh.287.287 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 287 :PDMEDAPHH 2bnh 287 :AGNKLGDEG Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52738 Ang CG(37) at 0.70086 50.4194 27.5012 in (null):D-9999 (5) and NE2(71) at 2.2045 51.9449 26.1598 in (null):H-9999 (9) other bump:1.91575 Ang OD2(39) at 1.54209 50.2044 26.609 in (null):D-9999 (5) and NE2(71) at 2.2045 51.9449 26.1598 in (null):H-9999 (9) other bump:2.94346 Ang CG(37) at 0.70086 50.4194 27.5012 in (null):D-9999 (5) and ND1(69) at 1.49903 53.2444 27.7156 in (null):H-9999 (9) other bump:2.33745 Ang CB(36) at -0.719131 50.7155 27.1067 in (null):D-9999 (5) and CD2(68) at 0.842579 52.0566 25.9993 in (null):H-9999 (9) other bump:2.22621 Ang CG(37) at 0.70086 50.4194 27.5012 in (null):D-9999 (5) and CD2(68) at 0.842579 52.0566 25.9993 in (null):H-9999 (9) other bump:2.07162 Ang OD2(39) at 1.54209 50.2044 26.609 in (null):D-9999 (5) and CD2(68) at 0.842579 52.0566 25.9993 in (null):H-9999 (9) other bump:2.43413 Ang CB(36) at -0.719131 50.7155 27.1067 in (null):D-9999 (5) and CG(67) at 0.387727 52.8797 26.9784 in (null):H-9999 (9) other bump:2.53462 Ang CG(37) at 0.70086 50.4194 27.5012 in (null):D-9999 (5) and CG(67) at 0.387727 52.8797 26.9784 in (null):H-9999 (9) other bump:2.69359 Ang CB(36) at -0.719131 50.7155 27.1067 in (null):D-9999 (5) and CB(66) at -0.992265 53.3897 27.2797 in (null):H-9999 (9) other bump:3.11494 Ang C(41) at -2.964 51.035 27.8 in (null):D-9999 (5) and CB(66) at -0.992265 53.3897 27.2797 in (null):H-9999 (9) other bump:2.65037 Ang O(40) at -3.085 52.148 28.33 in (null):D-9999 (5) and CB(66) at -0.992265 53.3897 27.2797 in (null):H-9999 (9) neighbor-bump: 1.90091 Ang CB(44) at -6.32082 51.1498 26.5362 in (null):A-9999 (6) and CD(51) at -7.12979 52.4781 25.4432 in (null):P-9999 (7) self-bump: 1.38899 Ang N(47) at -5.915 53.147 25.365 in (null):P-9999 (7) and CD(51) at -7.12979 52.4781 25.4432 in (null):P-9999 (7) neighbor-bump: 2.35058 Ang CB(44) at -6.32082 51.1498 26.5362 in (null):A-9999 (6) and N(47) at -5.915 53.147 25.365 in (null):P-9999 (7) self-bump: 2.16079 Ang CB(44) at -6.32082 51.1498 26.5362 in (null):A-9999 (6) and C(46) at -4.825 52.526 25.803 in (null):A-9999 (6) self-bump: 1.26978 Ang CA(43) at -5.06 51.272 26.624 in (null):A-9999 (6) and CB(44) at -6.32082 51.1498 26.5362 in (null):A-9999 (6) Number of specific fragments= 1 total=2492 # 1frb.287.287 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 287 :PDMEDAPHH 1frb 288 :ILSFNRNWR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.21293 Ang O(45) at 93.163 5.378 20.371 in (null):A-9999 (6) and CD(51) at 94.067 6.41086 22.1068 in (null):P-9999 (7) neighbor-bump: 1.73521 Ang C(46) at 93.931 4.925 21.221 in (null):A-9999 (6) and CD(51) at 94.067 6.41086 22.1068 in (null):P-9999 (7) self-bump: 2.22295 Ang CA(48) at 92.309 5.382 22.997 in (null):P-9999 (7) and CD(51) at 94.067 6.41086 22.1068 in (null):P-9999 (7) Number of specific fragments= 1 total=2493 # 1qbqA.287.288 read from T0147_twice.t2k.frag # found chain 1qbqA in template set T0147_twice 287 :PDMEDAPHH 1qbqA 333 :ILNKALELC Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42588 Ang O(40) at 206.099 97.647 50.419 in (null):D-9999 (5) and CD2(68) at 204.379 98.7673 49.126 in (null):H-9999 (9) other bump:2.30419 Ang OE2(31) at 213.279 96.8823 51.4186 in (null):E-9999 (4) and NE2(61) at 212.441 99.0092 51.1306 in (null):H-9999 (8) other bump:2.78747 Ang OE2(31) at 213.279 96.8823 51.4186 in (null):E-9999 (4) and CD2(58) at 211.119 98.6419 51.3343 in (null):H-9999 (8) Number of specific fragments= 1 total=2494 # 1dryA.288.288 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 288 :DMEDAPHHW 1dryA 289 :DGKDRWLHR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86658 Ang C(34) at -13.381 14.897 9.463 in (null):D-9999 (4) and CD(44) at -12.7787 12.5077 10.9279 in (null):P-9999 (6) neighbor-bump: 2.33171 Ang CA(36) at -12.95 12.616 8.605 in (null):A-9999 (5) and CD(44) at -12.7787 12.5077 10.9279 in (null):P-9999 (6) neighbor-bump: 1.64353 Ang C(39) at -11.788 12.473 9.617 in (null):A-9999 (5) and CD(44) at -12.7787 12.5077 10.9279 in (null):P-9999 (6) other bump:2.14756 Ang O(33) at -13.307 14.574 10.676 in (null):D-9999 (4) and CD(44) at -12.7787 12.5077 10.9279 in (null):P-9999 (6) other bump:3.24062 Ang C(34) at -13.381 14.897 9.463 in (null):D-9999 (4) and CG(43) at -11.8627 13.2861 11.8297 in (null):P-9999 (6) neighbor-bump: 2.3586 Ang C(39) at -11.788 12.473 9.617 in (null):A-9999 (5) and CG(43) at -11.8627 13.2861 11.8297 in (null):P-9999 (6) other bump:2.25294 Ang O(33) at -13.307 14.574 10.676 in (null):D-9999 (4) and CG(43) at -11.8627 13.2861 11.8297 in (null):P-9999 (6) neighbor-bump: 2.51369 Ang O(38) at -10.805 13.234 9.55 in (null):A-9999 (5) and CG(43) at -11.8627 13.2861 11.8297 in (null):P-9999 (6) Number of specific fragments= 1 total=2495 # 1drtA.288.288 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 288 :DMEDAPHHW 1drtA 289 :DGKDRWLHR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.86528 Ang C(39) at -12.01 12.455 9.545 in (null):A-9999 (5) and CD(44) at -13.1666 12.433 11.0083 in (null):P-9999 (6) other bump:2.18588 Ang O(33) at -13.772 14.464 10.473 in (null):D-9999 (4) and CD(44) at -13.1666 12.433 11.0083 in (null):P-9999 (6) neighbor-bump: 2.49492 Ang C(39) at -12.01 12.455 9.545 in (null):A-9999 (5) and CG(43) at -12.2732 13.2561 11.8931 in (null):P-9999 (6) other bump:2.39209 Ang O(33) at -13.772 14.464 10.473 in (null):D-9999 (4) and CG(43) at -12.2732 13.2561 11.8931 in (null):P-9999 (6) Number of specific fragments= 1 total=2496 # 1ds1A.288.288 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 288 :DMEDAPHHW 1ds1A 289 :DGKDRWLHR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90112 Ang C(34) at -14.169 15.098 9.536 in (null):D-9999 (4) and CD(44) at -13.5269 12.6518 10.9575 in (null):P-9999 (6) neighbor-bump: 2.38178 Ang CA(36) at -13.575 12.889 8.588 in (null):A-9999 (5) and CD(44) at -13.5269 12.6518 10.9575 in (null):P-9999 (6) neighbor-bump: 1.75969 Ang C(39) at -12.423 12.724 9.589 in (null):A-9999 (5) and CD(44) at -13.5269 12.6518 10.9575 in (null):P-9999 (6) other bump:2.15117 Ang O(33) at -14.041 14.725 10.702 in (null):D-9999 (4) and CD(44) at -13.5269 12.6518 10.9575 in (null):P-9999 (6) other bump:3.27865 Ang C(34) at -14.169 15.098 9.536 in (null):D-9999 (4) and CG(43) at -12.6686 13.4219 11.9212 in (null):P-9999 (6) neighbor-bump: 2.44675 Ang C(39) at -12.423 12.724 9.589 in (null):A-9999 (5) and CG(43) at -12.6686 13.4219 11.9212 in (null):P-9999 (6) other bump:2.25119 Ang O(33) at -14.041 14.725 10.702 in (null):D-9999 (4) and CG(43) at -12.6686 13.4219 11.9212 in (null):P-9999 (6) Number of specific fragments= 1 total=2497 # 2bnh.288.288 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 288 :DMEDAPHHW 2bnh 288 :GNKLGDEGA Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52738 Ang CG(30) at 0.70086 50.4194 27.5012 in (null):D-9999 (4) and NE2(64) at 2.2045 51.9449 26.1598 in (null):H-9999 (8) other bump:1.91575 Ang OD2(32) at 1.54209 50.2044 26.609 in (null):D-9999 (4) and NE2(64) at 2.2045 51.9449 26.1598 in (null):H-9999 (8) other bump:2.94346 Ang CG(30) at 0.70086 50.4194 27.5012 in (null):D-9999 (4) and ND1(62) at 1.49903 53.2444 27.7156 in (null):H-9999 (8) other bump:2.33745 Ang CB(29) at -0.719131 50.7155 27.1067 in (null):D-9999 (4) and CD2(61) at 0.842582 52.0566 25.9993 in (null):H-9999 (8) other bump:2.22621 Ang CG(30) at 0.70086 50.4194 27.5012 in (null):D-9999 (4) and CD2(61) at 0.842582 52.0566 25.9993 in (null):H-9999 (8) other bump:2.07162 Ang OD2(32) at 1.54209 50.2044 26.609 in (null):D-9999 (4) and CD2(61) at 0.842582 52.0566 25.9993 in (null):H-9999 (8) other bump:2.43413 Ang CB(29) at -0.719131 50.7155 27.1067 in (null):D-9999 (4) and CG(60) at 0.387726 52.8796 26.9784 in (null):H-9999 (8) other bump:2.53461 Ang CG(30) at 0.70086 50.4194 27.5012 in (null):D-9999 (4) and CG(60) at 0.387726 52.8796 26.9784 in (null):H-9999 (8) other bump:2.69359 Ang CB(29) at -0.719131 50.7155 27.1067 in (null):D-9999 (4) and CB(59) at -0.992264 53.3897 27.2797 in (null):H-9999 (8) other bump:3.11494 Ang C(34) at -2.964 51.035 27.8 in (null):D-9999 (4) and CB(59) at -0.992264 53.3897 27.2797 in (null):H-9999 (8) other bump:2.65037 Ang O(33) at -3.085 52.148 28.33 in (null):D-9999 (4) and CB(59) at -0.992264 53.3897 27.2797 in (null):H-9999 (8) neighbor-bump: 1.90091 Ang CB(37) at -6.32082 51.1498 26.5362 in (null):A-9999 (5) and CD(44) at -7.12979 52.4781 25.4432 in (null):P-9999 (6) self-bump: 1.38899 Ang N(40) at -5.915 53.147 25.365 in (null):P-9999 (6) and CD(44) at -7.12979 52.4781 25.4432 in (null):P-9999 (6) neighbor-bump: 2.35058 Ang CB(37) at -6.32082 51.1498 26.5362 in (null):A-9999 (5) and N(40) at -5.915 53.147 25.365 in (null):P-9999 (6) self-bump: 2.16079 Ang CB(37) at -6.32082 51.1498 26.5362 in (null):A-9999 (5) and C(39) at -4.825 52.526 25.803 in (null):A-9999 (5) self-bump: 1.26978 Ang CA(36) at -5.06 51.272 26.624 in (null):A-9999 (5) and CB(37) at -6.32082 51.1498 26.5362 in (null):A-9999 (5) Number of specific fragments= 1 total=2498 # 1frb.288.288 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 288 :DMEDAPHHW 1frb 289 :LSFNRNWRA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.21293 Ang O(38) at 93.163 5.378 20.371 in (null):A-9999 (5) and CD(44) at 94.067 6.41086 22.1068 in (null):P-9999 (6) neighbor-bump: 1.73521 Ang C(39) at 93.931 4.925 21.221 in (null):A-9999 (5) and CD(44) at 94.067 6.41086 22.1068 in (null):P-9999 (6) self-bump: 2.22295 Ang CA(41) at 92.309 5.382 22.997 in (null):P-9999 (6) and CD(44) at 94.067 6.41086 22.1068 in (null):P-9999 (6) Number of specific fragments= 1 total=2499 # 1qs0A.288.292 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 288 :DMEDAPHHW 1qs0A 294 :RRGLGPSLI Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.08851 Ang CD2(51) at 8.24698 -13.2802 88.2339 in (null):H-9999 (7) and CH2(78) at 9.94211 -13.6714 89.3894 in (null):W-9999 (9) other bump:2.30601 Ang CB(49) at 9.94606 -11.4141 88.9184 in (null):H-9999 (7) and CH2(78) at 9.94211 -13.6714 89.3894 in (null):W-9999 (9) other bump:2.31148 Ang CG(50) at 8.87961 -12.0811 88.0914 in (null):H-9999 (7) and CH2(78) at 9.94211 -13.6714 89.3894 in (null):W-9999 (9) other bump:2.29363 Ang CD2(51) at 8.24698 -13.2802 88.2339 in (null):H-9999 (7) and CZ3(77) at 9.03477 -13.2627 90.3879 in (null):W-9999 (9) other bump:3.23485 Ang C(56) at 8.264 -10.128 90.179 in (null):H-9999 (7) and CZ3(77) at 9.03477 -13.2627 90.3879 in (null):W-9999 (9) other bump:2.53132 Ang CB(49) at 9.94606 -11.4141 88.9184 in (null):H-9999 (7) and CZ3(77) at 9.03477 -13.2627 90.3879 in (null):W-9999 (9) other bump:2.58733 Ang CG(50) at 8.87961 -12.0811 88.0914 in (null):H-9999 (7) and CZ3(77) at 9.03477 -13.2627 90.3879 in (null):W-9999 (9) other bump:2.65368 Ang NE2(54) at 7.29911 -13.334 87.2373 in (null):H-9999 (7) and CZ2(76) at 9.52151 -14.3501 88.272 in (null):W-9999 (9) other bump:1.66455 Ang CD2(51) at 8.24698 -13.2802 88.2339 in (null):H-9999 (7) and CZ2(76) at 9.52151 -14.3501 88.272 in (null):W-9999 (9) other bump:3.03619 Ang CB(49) at 9.94606 -11.4141 88.9184 in (null):H-9999 (7) and CZ2(76) at 9.52151 -14.3501 88.272 in (null):W-9999 (9) other bump:2.36495 Ang CG(50) at 8.87961 -12.0811 88.0914 in (null):H-9999 (7) and CZ2(76) at 9.52151 -14.3501 88.272 in (null):W-9999 (9) other bump:1.95331 Ang NE2(54) at 7.29911 -13.334 87.2373 in (null):H-9999 (7) and NE1(75) at 7.46223 -15.2795 87.1745 in (null):W-9999 (9) other bump:2.3949 Ang CD2(51) at 8.24698 -13.2802 88.2339 in (null):H-9999 (7) and NE1(75) at 7.46223 -15.2795 87.1745 in (null):W-9999 (9) other bump:3.0652 Ang NE2(54) at 7.29911 -13.334 87.2373 in (null):H-9999 (7) and CE3(74) at 7.67159 -13.5336 90.2733 in (null):W-9999 (9) other bump:2.1341 Ang CD2(51) at 8.24698 -13.2802 88.2339 in (null):H-9999 (7) and CE3(74) at 7.67159 -13.5336 90.2733 in (null):W-9999 (9) other bump:2.88611 Ang CG(50) at 8.87961 -12.0811 88.0914 in (null):H-9999 (7) and CE3(74) at 7.67159 -13.5336 90.2733 in (null):W-9999 (9) other bump:3.34725 Ang ND1(52) at 8.27114 -11.4883 86.9958 in (null):H-9999 (7) and CE2(73) at 8.15248 -14.6246 88.1591 in (null):W-9999 (9) other bump:1.80096 Ang NE2(54) at 7.29911 -13.334 87.2373 in (null):H-9999 (7) and CE2(73) at 8.15248 -14.6246 88.1591 in (null):W-9999 (9) other bump:1.34984 Ang CD2(51) at 8.24698 -13.2802 88.2339 in (null):H-9999 (7) and CE2(73) at 8.15248 -14.6246 88.1591 in (null):W-9999 (9) other bump:2.64624 Ang CG(50) at 8.87961 -12.0811 88.0914 in (null):H-9999 (7) and CE2(73) at 8.15248 -14.6246 88.1591 in (null):W-9999 (9) other bump:2.10141 Ang NE2(54) at 7.29911 -13.334 87.2373 in (null):H-9999 (7) and CD2(72) at 7.21583 -14.2256 89.1384 in (null):W-9999 (9) other bump:1.66593 Ang CD2(51) at 8.24698 -13.2802 88.2339 in (null):H-9999 (7) and CD2(72) at 7.21583 -14.2256 89.1384 in (null):W-9999 (9) other bump:2.90917 Ang CG(50) at 8.87961 -12.0811 88.0914 in (null):H-9999 (7) and CD2(72) at 7.21583 -14.2256 89.1384 in (null):W-9999 (9) other bump:2.30198 Ang NE2(54) at 7.29911 -13.334 87.2373 in (null):H-9999 (7) and CD1(71) at 6.12784 -15.2978 87.5032 in (null):W-9999 (9) other bump:2.40662 Ang NE2(54) at 7.29911 -13.334 87.2373 in (null):H-9999 (7) and CG(70) at 5.92468 -14.6657 88.6966 in (null):W-9999 (9) other bump:2.74351 Ang CD2(51) at 8.24698 -13.2802 88.2339 in (null):H-9999 (7) and CG(70) at 5.92468 -14.6657 88.6966 in (null):W-9999 (9) neighbor-bump: 2.12674 Ang CB(37) at 15.3509 -6.00507 90.2778 in (null):A-9999 (5) and CD(44) at 13.435 -6.176 91.185 in (null):P-9999 (6) neighbor-bump: 2.3795 Ang CB(37) at 15.3509 -6.00507 90.2778 in (null):A-9999 (5) and N(40) at 13.615 -7.569 90.728 in (null):P-9999 (6) self-bump: 2.17745 Ang CB(37) at 15.3509 -6.00507 90.2778 in (null):A-9999 (5) and C(39) at 14.575 -8.004 89.899 in (null):A-9999 (5) self-bump: 1.30286 Ang CA(36) at 15.669 -7.013 89.516 in (null):A-9999 (5) and CB(37) at 15.3509 -6.00507 90.2778 in (null):A-9999 (5) Number of specific fragments= 1 total=2500 # 1dryA.289.289 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 289 :MEDAPHHWH 1dryA 290 :GKDRWLHRV Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86658 Ang C(26) at -13.381 14.897 9.463 in (null):D-9999 (3) and CD(36) at -12.7787 12.5077 10.9279 in (null):P-9999 (5) neighbor-bump: 2.33171 Ang CA(28) at -12.95 12.616 8.605 in (null):A-9999 (4) and CD(36) at -12.7787 12.5077 10.9279 in (null):P-9999 (5) neighbor-bump: 1.64353 Ang C(31) at -11.788 12.473 9.617 in (null):A-9999 (4) and CD(36) at -12.7787 12.5077 10.9279 in (null):P-9999 (5) other bump:2.14756 Ang O(25) at -13.307 14.574 10.676 in (null):D-9999 (3) and CD(36) at -12.7787 12.5077 10.9279 in (null):P-9999 (5) other bump:3.24062 Ang C(26) at -13.381 14.897 9.463 in (null):D-9999 (3) and CG(35) at -11.8627 13.2861 11.8297 in (null):P-9999 (5) neighbor-bump: 2.3586 Ang C(31) at -11.788 12.473 9.617 in (null):A-9999 (4) and CG(35) at -11.8627 13.2861 11.8297 in (null):P-9999 (5) other bump:2.25294 Ang O(25) at -13.307 14.574 10.676 in (null):D-9999 (3) and CG(35) at -11.8627 13.2861 11.8297 in (null):P-9999 (5) neighbor-bump: 2.51369 Ang O(30) at -10.805 13.234 9.55 in (null):A-9999 (4) and CG(35) at -11.8627 13.2861 11.8297 in (null):P-9999 (5) Number of specific fragments= 1 total=2501 # 1drtA.289.289 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 289 :MEDAPHHWH 1drtA 290 :GKDRWLHRV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.18588 Ang O(25) at -13.772 14.464 10.473 in (null):D-9999 (3) and CD(36) at -13.1666 12.433 11.0083 in (null):P-9999 (5) neighbor-bump: 1.86528 Ang C(31) at -12.01 12.455 9.545 in (null):A-9999 (4) and CD(36) at -13.1666 12.433 11.0083 in (null):P-9999 (5) other bump:2.39209 Ang O(25) at -13.772 14.464 10.473 in (null):D-9999 (3) and CG(35) at -12.2732 13.2561 11.8931 in (null):P-9999 (5) neighbor-bump: 2.49492 Ang C(31) at -12.01 12.455 9.545 in (null):A-9999 (4) and CG(35) at -12.2732 13.2561 11.8931 in (null):P-9999 (5) Number of specific fragments= 1 total=2502 # 1ds1A.289.289 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 289 :MEDAPHHWH 1ds1A 290 :GKDRWLHRV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90112 Ang C(26) at -14.169 15.098 9.536 in (null):D-9999 (3) and CD(36) at -13.5269 12.6518 10.9575 in (null):P-9999 (5) neighbor-bump: 2.38178 Ang CA(28) at -13.575 12.889 8.588 in (null):A-9999 (4) and CD(36) at -13.5269 12.6518 10.9575 in (null):P-9999 (5) neighbor-bump: 1.75969 Ang C(31) at -12.423 12.724 9.589 in (null):A-9999 (4) and CD(36) at -13.5269 12.6518 10.9575 in (null):P-9999 (5) other bump:2.15117 Ang O(25) at -14.041 14.725 10.702 in (null):D-9999 (3) and CD(36) at -13.5269 12.6518 10.9575 in (null):P-9999 (5) other bump:3.27865 Ang C(26) at -14.169 15.098 9.536 in (null):D-9999 (3) and CG(35) at -12.6686 13.4219 11.9212 in (null):P-9999 (5) neighbor-bump: 2.44675 Ang C(31) at -12.423 12.724 9.589 in (null):A-9999 (4) and CG(35) at -12.6686 13.4219 11.9212 in (null):P-9999 (5) other bump:2.25119 Ang O(25) at -14.041 14.725 10.702 in (null):D-9999 (3) and CG(35) at -12.6686 13.4219 11.9212 in (null):P-9999 (5) Number of specific fragments= 1 total=2503 # 2bnh.289.289 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 289 :MEDAPHHWH 2bnh 289 :NKLGDEGAR Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52738 Ang CG(22) at 0.70086 50.4194 27.5012 in (null):D-9999 (3) and NE2(56) at 2.2045 51.9449 26.1598 in (null):H-9999 (7) other bump:1.91575 Ang OD2(24) at 1.54209 50.2044 26.609 in (null):D-9999 (3) and NE2(56) at 2.2045 51.9449 26.1598 in (null):H-9999 (7) other bump:2.94346 Ang CG(22) at 0.70086 50.4194 27.5012 in (null):D-9999 (3) and ND1(54) at 1.49903 53.2444 27.7156 in (null):H-9999 (7) other bump:2.33745 Ang CB(21) at -0.719131 50.7155 27.1067 in (null):D-9999 (3) and CD2(53) at 0.842582 52.0566 25.9993 in (null):H-9999 (7) other bump:2.22621 Ang CG(22) at 0.70086 50.4194 27.5012 in (null):D-9999 (3) and CD2(53) at 0.842582 52.0566 25.9993 in (null):H-9999 (7) other bump:2.07162 Ang OD2(24) at 1.54209 50.2044 26.609 in (null):D-9999 (3) and CD2(53) at 0.842582 52.0566 25.9993 in (null):H-9999 (7) other bump:2.43413 Ang CB(21) at -0.719131 50.7155 27.1067 in (null):D-9999 (3) and CG(52) at 0.387726 52.8796 26.9784 in (null):H-9999 (7) other bump:2.53461 Ang CG(22) at 0.70086 50.4194 27.5012 in (null):D-9999 (3) and CG(52) at 0.387726 52.8796 26.9784 in (null):H-9999 (7) other bump:2.69359 Ang CB(21) at -0.719131 50.7155 27.1067 in (null):D-9999 (3) and CB(51) at -0.992264 53.3897 27.2797 in (null):H-9999 (7) other bump:2.65037 Ang O(25) at -3.085 52.148 28.33 in (null):D-9999 (3) and CB(51) at -0.992264 53.3897 27.2797 in (null):H-9999 (7) other bump:3.11494 Ang C(26) at -2.964 51.035 27.8 in (null):D-9999 (3) and CB(51) at -0.992264 53.3897 27.2797 in (null):H-9999 (7) neighbor-bump: 1.90091 Ang CB(29) at -6.32082 51.1498 26.5362 in (null):A-9999 (4) and CD(36) at -7.12979 52.4781 25.4432 in (null):P-9999 (5) self-bump: 1.38899 Ang N(32) at -5.915 53.147 25.365 in (null):P-9999 (5) and CD(36) at -7.12979 52.4781 25.4432 in (null):P-9999 (5) neighbor-bump: 2.35058 Ang CB(29) at -6.32082 51.1498 26.5362 in (null):A-9999 (4) and N(32) at -5.915 53.147 25.365 in (null):P-9999 (5) self-bump: 2.16079 Ang CB(29) at -6.32082 51.1498 26.5362 in (null):A-9999 (4) and C(31) at -4.825 52.526 25.803 in (null):A-9999 (4) self-bump: 1.26978 Ang CA(28) at -5.06 51.272 26.624 in (null):A-9999 (4) and CB(29) at -6.32082 51.1498 26.5362 in (null):A-9999 (4) Number of specific fragments= 1 total=2504 # 1frb.289.289 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 289 :MEDAPHHWH 1frb 290 :SFNRNWRAC Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.1442 Ang CE3(66) at 84.1068 -5.62963 21.5511 in (null):W-9999 (8) and NE2(80) at 83.4926 -6.46988 22.0265 in (null):H-9999 (9) neighbor-bump: 0.536934 Ang CZ3(69) at 82.9877 -6.28817 22.0437 in (null):W-9999 (8) and NE2(80) at 83.4926 -6.46988 22.0265 in (null):H-9999 (9) neighbor-bump: 2.59464 Ang CE2(65) at 84.6871 -4.98924 23.7908 in (null):W-9999 (8) and NE2(80) at 83.4926 -6.46988 22.0265 in (null):H-9999 (9) neighbor-bump: 2.40453 Ang CZ2(68) at 83.5642 -5.64987 24.2857 in (null):W-9999 (8) and NE2(80) at 83.4926 -6.46988 22.0265 in (null):H-9999 (9) neighbor-bump: 1.58518 Ang CH2(70) at 82.7232 -6.29571 23.4014 in (null):W-9999 (8) and NE2(80) at 83.4926 -6.46988 22.0265 in (null):H-9999 (9) neighbor-bump: 2.13987 Ang CD2(64) at 84.9665 -4.97192 22.4301 in (null):W-9999 (8) and NE2(80) at 83.4926 -6.46988 22.0265 in (null):H-9999 (9) neighbor-bump: 1.85241 Ang CE3(66) at 84.1068 -5.62963 21.5511 in (null):W-9999 (8) and CE1(79) at 82.5096 -6.47436 21.1426 in (null):H-9999 (9) neighbor-bump: 1.03692 Ang CZ3(69) at 82.9877 -6.28817 22.0437 in (null):W-9999 (8) and CE1(79) at 82.5096 -6.47436 21.1426 in (null):H-9999 (9) neighbor-bump: 2.27593 Ang CH2(70) at 82.7232 -6.29571 23.4014 in (null):W-9999 (8) and CE1(79) at 82.5096 -6.47436 21.1426 in (null):H-9999 (9) neighbor-bump: 2.23948 Ang CE3(66) at 84.1068 -5.62963 21.5511 in (null):W-9999 (8) and ND1(78) at 81.9288 -5.28606 21.1588 in (null):H-9999 (9) neighbor-bump: 1.70538 Ang CZ3(69) at 82.9877 -6.28817 22.0437 in (null):W-9999 (8) and ND1(78) at 81.9288 -5.28606 21.1588 in (null):H-9999 (9) neighbor-bump: 2.58449 Ang CH2(70) at 82.7232 -6.29571 23.4014 in (null):W-9999 (8) and ND1(78) at 81.9288 -5.28606 21.1588 in (null):H-9999 (9) neighbor-bump: 1.28295 Ang CE3(66) at 84.1068 -5.62963 21.5511 in (null):W-9999 (8) and CD2(77) at 83.5442 -5.23717 22.6352 in (null):H-9999 (9) neighbor-bump: 1.32825 Ang CZ3(69) at 82.9877 -6.28817 22.0437 in (null):W-9999 (8) and CD2(77) at 83.5442 -5.23717 22.6352 in (null):H-9999 (9) neighbor-bump: 1.64416 Ang CE2(65) at 84.6871 -4.98924 23.7908 in (null):W-9999 (8) and CD2(77) at 83.5442 -5.23717 22.6352 in (null):H-9999 (9) neighbor-bump: 1.70143 Ang CZ2(68) at 83.5642 -5.64987 24.2857 in (null):W-9999 (8) and CD2(77) at 83.5442 -5.23717 22.6352 in (null):H-9999 (9) neighbor-bump: 1.54322 Ang CH2(70) at 82.7232 -6.29571 23.4014 in (null):W-9999 (8) and CD2(77) at 83.5442 -5.23717 22.6352 in (null):H-9999 (9) neighbor-bump: 2.79646 Ang CG(62) at 86.1299 -4.20124 22.3883 in (null):W-9999 (8) and CD2(77) at 83.5442 -5.23717 22.6352 in (null):H-9999 (9) neighbor-bump: 1.46129 Ang CD2(64) at 84.9665 -4.97192 22.4301 in (null):W-9999 (8) and CD2(77) at 83.5442 -5.23717 22.6352 in (null):H-9999 (9) neighbor-bump: 2.92177 Ang NE1(67) at 85.6363 -4.29814 24.4458 in (null):W-9999 (8) and CD2(77) at 83.5442 -5.23717 22.6352 in (null):H-9999 (9) neighbor-bump: 1.99891 Ang CE3(66) at 84.1068 -5.62963 21.5511 in (null):W-9999 (8) and CG(76) at 82.5598 -4.48281 22.087 in (null):H-9999 (9) neighbor-bump: 1.85588 Ang CZ3(69) at 82.9877 -6.28817 22.0437 in (null):W-9999 (8) and CG(76) at 82.5598 -4.48281 22.087 in (null):H-9999 (9) neighbor-bump: 2.77223 Ang CE2(65) at 84.6871 -4.98924 23.7908 in (null):W-9999 (8) and CG(76) at 82.5598 -4.48281 22.087 in (null):H-9999 (9) neighbor-bump: 2.68428 Ang CZ2(68) at 83.5642 -5.64987 24.2857 in (null):W-9999 (8) and CG(76) at 82.5598 -4.48281 22.087 in (null):H-9999 (9) neighbor-bump: 2.24521 Ang CH2(70) at 82.7232 -6.29571 23.4014 in (null):W-9999 (8) and CG(76) at 82.5598 -4.48281 22.087 in (null):H-9999 (9) neighbor-bump: 2.47976 Ang CD2(64) at 84.9665 -4.97192 22.4301 in (null):W-9999 (8) and CG(76) at 82.5598 -4.48281 22.087 in (null):H-9999 (9) neighbor-bump: 2.21293 Ang O(30) at 93.163 5.378 20.371 in (null):A-9999 (4) and CD(36) at 94.067 6.41086 22.1068 in (null):P-9999 (5) self-bump: 2.22295 Ang CA(33) at 92.309 5.382 22.997 in (null):P-9999 (5) and CD(36) at 94.067 6.41086 22.1068 in (null):P-9999 (5) neighbor-bump: 1.73521 Ang C(31) at 93.931 4.925 21.221 in (null):A-9999 (4) and CD(36) at 94.067 6.41086 22.1068 in (null):P-9999 (5) Number of specific fragments= 1 total=2505 # 1qs0A.289.293 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 289 :MEDAPHHWH 1qs0A 295 :RGLGPSLIE Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88251 Ang CD2(43) at 8.24698 -13.2802 88.2339 in (null):H-9999 (6) and CZ2(68) at 8.93282 -15.777 86.9672 in (null):W-9999 (8) other bump:2.95126 Ang NE2(46) at 7.29911 -13.334 87.2373 in (null):H-9999 (6) and CZ2(68) at 8.93282 -15.777 86.9672 in (null):W-9999 (8) other bump:1.22332 Ang CD2(43) at 8.24698 -13.2802 88.2339 in (null):H-9999 (6) and NE1(67) at 7.67488 -13.6359 87.2128 in (null):W-9999 (8) other bump:2.23936 Ang ND1(44) at 8.27114 -11.4883 86.9958 in (null):H-9999 (6) and NE1(67) at 7.67488 -13.6359 87.2128 in (null):W-9999 (8) other bump:1.60092 Ang CE1(45) at 7.31835 -12.2502 86.4945 in (null):H-9999 (6) and NE1(67) at 7.67488 -13.6359 87.2128 in (null):W-9999 (8) other bump:0.482611 Ang NE2(46) at 7.29911 -13.334 87.2373 in (null):H-9999 (6) and NE1(67) at 7.67488 -13.6359 87.2128 in (null):W-9999 (8) other bump:2.15419 Ang CG(42) at 8.87961 -12.0811 88.0914 in (null):H-9999 (6) and NE1(67) at 7.67488 -13.6359 87.2128 in (null):W-9999 (8) other bump:1.92005 Ang CD2(43) at 8.24698 -13.2802 88.2339 in (null):H-9999 (6) and CE2(65) at 7.87188 -14.9633 87.3896 in (null):W-9999 (8) other bump:2.91008 Ang CE1(45) at 7.31835 -12.2502 86.4945 in (null):H-9999 (6) and CE2(65) at 7.87188 -14.9633 87.3896 in (null):W-9999 (8) other bump:1.73376 Ang NE2(46) at 7.29911 -13.334 87.2373 in (null):H-9999 (6) and CE2(65) at 7.87188 -14.9633 87.3896 in (null):W-9999 (8) other bump:2.35998 Ang NE2(46) at 7.29911 -13.334 87.2373 in (null):H-9999 (6) and CD2(64) at 6.78451 -15.4645 88.1124 in (null):W-9999 (8) other bump:1.79623 Ang CD2(43) at 8.24698 -13.2802 88.2339 in (null):H-9999 (6) and CD1(63) at 6.50086 -13.2653 87.8128 in (null):W-9999 (8) other bump:2.63806 Ang ND1(44) at 8.27114 -11.4883 86.9958 in (null):H-9999 (6) and CD1(63) at 6.50086 -13.2653 87.8128 in (null):W-9999 (8) other bump:1.85382 Ang CE1(45) at 7.31835 -12.2502 86.4945 in (null):H-9999 (6) and CD1(63) at 6.50086 -13.2653 87.8128 in (null):W-9999 (8) other bump:0.986469 Ang NE2(46) at 7.29911 -13.334 87.2373 in (null):H-9999 (6) and CD1(63) at 6.50086 -13.2653 87.8128 in (null):W-9999 (8) other bump:2.67176 Ang CG(42) at 8.87961 -12.0811 88.0914 in (null):H-9999 (6) and CD1(63) at 6.50086 -13.2653 87.8128 in (null):W-9999 (8) other bump:2.58605 Ang CD2(43) at 8.24698 -13.2802 88.2339 in (null):H-9999 (6) and CG(62) at 5.90505 -14.3667 88.3837 in (null):W-9999 (8) other bump:2.07939 Ang NE2(46) at 7.29911 -13.334 87.2373 in (null):H-9999 (6) and CG(62) at 5.90505 -14.3667 88.3837 in (null):W-9999 (8) neighbor-bump: 2.12674 Ang CB(29) at 15.3509 -6.00507 90.2778 in (null):A-9999 (4) and CD(36) at 13.435 -6.176 91.185 in (null):P-9999 (5) neighbor-bump: 2.3795 Ang CB(29) at 15.3509 -6.00507 90.2778 in (null):A-9999 (4) and N(32) at 13.615 -7.569 90.728 in (null):P-9999 (5) self-bump: 2.17745 Ang CB(29) at 15.3509 -6.00507 90.2778 in (null):A-9999 (4) and C(31) at 14.575 -8.004 89.899 in (null):A-9999 (4) self-bump: 1.30286 Ang CA(28) at 15.669 -7.013 89.516 in (null):A-9999 (4) and CB(29) at 15.3509 -6.00507 90.2778 in (null):A-9999 (4) Number of specific fragments= 1 total=2506 # 1dryA.290.290 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 290 :EDAPHHWHF 1dryA 291 :KDRWLHRVY Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72978 Ang CE2(57) at -0.887668 2.51076 10.0207 in (null):W-9999 (7) and CZ(83) at 1.783 3.074 9.976 in (null):F-9999 (9) other bump:1.69212 Ang CZ2(60) at 0.428457 2.06753 9.85144 in (null):W-9999 (7) and CZ(83) at 1.783 3.074 9.976 in (null):F-9999 (9) other bump:1.75717 Ang CZ3(61) at 1.10259 3.77168 11.4382 in (null):W-9999 (7) and CZ(83) at 1.783 3.074 9.976 in (null):F-9999 (9) other bump:0.782096 Ang CH2(62) at 1.40887 2.71637 10.5623 in (null):W-9999 (7) and CZ(83) at 1.783 3.074 9.976 in (null):F-9999 (9) other bump:2.81309 Ang CE3(58) at -0.209275 4.21071 11.6046 in (null):W-9999 (7) and CZ(83) at 1.783 3.074 9.976 in (null):F-9999 (9) other bump:2.72488 Ang CZ2(60) at 0.428457 2.06753 9.85144 in (null):W-9999 (7) and CE2(82) at 2.563 3.226 11.087 in (null):F-9999 (9) other bump:1.59809 Ang CZ3(61) at 1.10259 3.77168 11.4382 in (null):W-9999 (7) and CE2(82) at 2.563 3.226 11.087 in (null):F-9999 (9) other bump:1.36638 Ang CH2(62) at 1.40887 2.71637 10.5623 in (null):W-9999 (7) and CE2(82) at 2.563 3.226 11.087 in (null):F-9999 (9) other bump:2.98714 Ang CE3(58) at -0.209275 4.21071 11.6046 in (null):W-9999 (7) and CE2(82) at 2.563 3.226 11.087 in (null):F-9999 (9) other bump:3.14225 Ang NE1(59) at -2.05485 2.05885 9.44981 in (null):W-9999 (7) and CE1(81) at 1.069 1.914 9.757 in (null):F-9999 (9) other bump:2.06257 Ang CE2(57) at -0.887668 2.51076 10.0207 in (null):W-9999 (7) and CE1(81) at 1.069 1.914 9.757 in (null):F-9999 (9) other bump:0.665421 Ang CZ2(60) at 0.428457 2.06753 9.85144 in (null):W-9999 (7) and CE1(81) at 1.069 1.914 9.757 in (null):F-9999 (9) other bump:2.50568 Ang CZ3(61) at 1.10259 3.77168 11.4382 in (null):W-9999 (7) and CE1(81) at 1.069 1.914 9.757 in (null):F-9999 (9) other bump:1.18655 Ang CH2(62) at 1.40887 2.71637 10.5623 in (null):W-9999 (7) and CE1(81) at 1.069 1.914 9.757 in (null):F-9999 (9) other bump:3.21284 Ang CE3(58) at -0.209275 4.21071 11.6046 in (null):W-9999 (7) and CE1(81) at 1.069 1.914 9.757 in (null):F-9999 (9) other bump:2.30546 Ang CZ3(61) at 1.10259 3.77168 11.4382 in (null):W-9999 (7) and CD2(80) at 2.655 2.166 12.01 in (null):F-9999 (9) other bump:1.98782 Ang CH2(62) at 1.40887 2.71637 10.5623 in (null):W-9999 (7) and CD2(80) at 2.655 2.166 12.01 in (null):F-9999 (9) other bump:2.69941 Ang CE2(57) at -0.887668 2.51076 10.0207 in (null):W-9999 (7) and CD1(79) at 1.169 0.889 10.674 in (null):F-9999 (9) other bump:1.61677 Ang CZ2(60) at 0.428457 2.06753 9.85144 in (null):W-9999 (7) and CD1(79) at 1.169 0.889 10.674 in (null):F-9999 (9) other bump:2.98299 Ang CZ3(61) at 1.10259 3.77168 11.4382 in (null):W-9999 (7) and CD1(79) at 1.169 0.889 10.674 in (null):F-9999 (9) other bump:1.84642 Ang CH2(62) at 1.40887 2.71637 10.5623 in (null):W-9999 (7) and CD1(79) at 1.169 0.889 10.674 in (null):F-9999 (9) other bump:2.69942 Ang CZ2(60) at 0.428457 2.06753 9.85144 in (null):W-9999 (7) and CG(78) at 1.963 0.993 11.795 in (null):F-9999 (9) other bump:2.93065 Ang CZ3(61) at 1.10259 3.77168 11.4382 in (null):W-9999 (7) and CG(78) at 1.963 0.993 11.795 in (null):F-9999 (9) other bump:2.19009 Ang CH2(62) at 1.40887 2.71637 10.5623 in (null):W-9999 (7) and CG(78) at 1.963 0.993 11.795 in (null):F-9999 (9) other bump:2.86658 Ang C(18) at -13.381 14.897 9.463 in (null):D-9999 (2) and CD(28) at -12.7787 12.5077 10.9279 in (null):P-9999 (4) neighbor-bump: 2.33171 Ang CA(20) at -12.95 12.616 8.605 in (null):A-9999 (3) and CD(28) at -12.7787 12.5077 10.9279 in (null):P-9999 (4) neighbor-bump: 1.64353 Ang C(23) at -11.788 12.473 9.617 in (null):A-9999 (3) and CD(28) at -12.7787 12.5077 10.9279 in (null):P-9999 (4) other bump:2.14756 Ang O(17) at -13.307 14.574 10.676 in (null):D-9999 (2) and CD(28) at -12.7787 12.5077 10.9279 in (null):P-9999 (4) other bump:3.24062 Ang C(18) at -13.381 14.897 9.463 in (null):D-9999 (2) and CG(27) at -11.8627 13.2861 11.8297 in (null):P-9999 (4) neighbor-bump: 2.3586 Ang C(23) at -11.788 12.473 9.617 in (null):A-9999 (3) and CG(27) at -11.8627 13.2861 11.8297 in (null):P-9999 (4) other bump:2.25294 Ang O(17) at -13.307 14.574 10.676 in (null):D-9999 (2) and CG(27) at -11.8627 13.2861 11.8297 in (null):P-9999 (4) neighbor-bump: 2.51369 Ang O(22) at -10.805 13.234 9.55 in (null):A-9999 (3) and CG(27) at -11.8627 13.2861 11.8297 in (null):P-9999 (4) Number of specific fragments= 1 total=2507 # 1drtA.290.290 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 290 :EDAPHHWHF 1drtA 291 :KDRWLHRVY Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57338 Ang CE2(57) at -0.875991 2.78533 10.1125 in (null):W-9999 (7) and CZ(83) at 1.644 3.265 9.908 in (null):F-9999 (9) other bump:1.45731 Ang CZ2(60) at 0.464977 2.41105 9.97464 in (null):W-9999 (7) and CZ(83) at 1.644 3.265 9.908 in (null):F-9999 (9) other bump:0.864463 Ang CH2(62) at 1.39193 3.10043 10.7184 in (null):W-9999 (7) and CZ(83) at 1.644 3.265 9.908 in (null):F-9999 (9) other bump:2.95511 Ang CE3(58) at -0.327147 4.49924 11.7311 in (null):W-9999 (7) and CZ(83) at 1.644 3.265 9.908 in (null):F-9999 (9) other bump:1.99969 Ang CZ3(61) at 1.00928 4.12892 11.5961 in (null):W-9999 (7) and CZ(83) at 1.644 3.265 9.908 in (null):F-9999 (9) other bump:2.43219 Ang CZ2(60) at 0.464977 2.41105 9.97464 in (null):W-9999 (7) and CE2(82) at 2.409 3.39 11.06 in (null):F-9999 (9) other bump:1.11131 Ang CH2(62) at 1.39193 3.10043 10.7184 in (null):W-9999 (7) and CE2(82) at 2.409 3.39 11.06 in (null):F-9999 (9) other bump:3.02776 Ang CE3(58) at -0.327147 4.49924 11.7311 in (null):W-9999 (7) and CE2(82) at 2.409 3.39 11.06 in (null):F-9999 (9) other bump:1.6711 Ang CZ3(61) at 1.00928 4.12892 11.5961 in (null):W-9999 (7) and CE2(82) at 2.409 3.39 11.06 in (null):F-9999 (9) other bump:2.06871 Ang CE2(57) at -0.875991 2.78533 10.1125 in (null):W-9999 (7) and CE1(81) at 0.999 2.066 9.616 in (null):F-9999 (9) other bump:3.01187 Ang NE1(59) at -2.00312 2.28159 9.50569 in (null):W-9999 (7) and CE1(81) at 0.999 2.066 9.616 in (null):F-9999 (9) other bump:0.729975 Ang CZ2(60) at 0.464977 2.41105 9.97464 in (null):W-9999 (7) and CE1(81) at 0.999 2.066 9.616 in (null):F-9999 (9) other bump:1.56193 Ang CH2(62) at 1.39193 3.10043 10.7184 in (null):W-9999 (7) and CE1(81) at 0.999 2.066 9.616 in (null):F-9999 (9) other bump:2.85943 Ang CZ3(61) at 1.00928 4.12892 11.5961 in (null):W-9999 (7) and CE1(81) at 0.999 2.066 9.616 in (null):F-9999 (9) other bump:2.84263 Ang CZ2(60) at 0.464977 2.41105 9.97464 in (null):W-9999 (7) and CD2(80) at 2.528 2.298 11.927 in (null):F-9999 (9) other bump:1.84265 Ang CH2(62) at 1.39193 3.10043 10.7184 in (null):W-9999 (7) and CD2(80) at 2.528 2.298 11.927 in (null):F-9999 (9) other bump:2.40173 Ang CZ3(61) at 1.00928 4.12892 11.5961 in (null):W-9999 (7) and CD2(80) at 2.528 2.298 11.927 in (null):F-9999 (9) other bump:2.72061 Ang CE2(57) at -0.875991 2.78533 10.1125 in (null):W-9999 (7) and CD1(79) at 1.128 0.984 10.488 in (null):F-9999 (9) other bump:1.65518 Ang CZ2(60) at 0.464977 2.41105 9.97464 in (null):W-9999 (7) and CD1(79) at 1.128 0.984 10.488 in (null):F-9999 (9) other bump:2.14523 Ang CH2(62) at 1.39193 3.10043 10.7184 in (null):W-9999 (7) and CD1(79) at 1.128 0.984 10.488 in (null):F-9999 (9) other bump:2.57153 Ang CZ2(60) at 0.464977 2.41105 9.97464 in (null):W-9999 (7) and CG(78) at 1.891 1.081 11.651 in (null):F-9999 (9) other bump:2.27969 Ang CH2(62) at 1.39193 3.10043 10.7184 in (null):W-9999 (7) and CG(78) at 1.891 1.081 11.651 in (null):F-9999 (9) other bump:3.17337 Ang CZ3(61) at 1.00928 4.12892 11.5961 in (null):W-9999 (7) and CG(78) at 1.891 1.081 11.651 in (null):F-9999 (9) neighbor-bump: 1.86528 Ang C(23) at -12.01 12.455 9.545 in (null):A-9999 (3) and CD(28) at -13.1666 12.433 11.0083 in (null):P-9999 (4) other bump:2.18588 Ang O(17) at -13.772 14.464 10.473 in (null):D-9999 (2) and CD(28) at -13.1666 12.433 11.0083 in (null):P-9999 (4) neighbor-bump: 2.49492 Ang C(23) at -12.01 12.455 9.545 in (null):A-9999 (3) and CG(27) at -12.2732 13.2561 11.8931 in (null):P-9999 (4) other bump:2.39209 Ang O(17) at -13.772 14.464 10.473 in (null):D-9999 (2) and CG(27) at -12.2732 13.2561 11.8931 in (null):P-9999 (4) Number of specific fragments= 1 total=2508 # 1ds1A.290.290 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 290 :EDAPHHWHF 1ds1A 291 :KDRWLHRVY Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.1867 Ang CD2(69) at -1.61932 -1.07103 15.9254 in (null):H-9999 (8) and C(85) at 0.94 -1.248 14.035 in (null):F-9999 (9) other bump:2.71089 Ang CE2(57) at -1.09452 3.20191 9.89685 in (null):W-9999 (7) and CZ(83) at 1.547 3.805 9.81 in (null):F-9999 (9) other bump:1.61615 Ang CZ2(60) at 0.248437 2.84602 9.73227 in (null):W-9999 (7) and CZ(83) at 1.547 3.805 9.81 in (null):F-9999 (9) other bump:0.799196 Ang CH2(62) at 1.17929 3.53891 10.4678 in (null):W-9999 (7) and CZ(83) at 1.547 3.805 9.81 in (null):F-9999 (9) other bump:2.91615 Ang CE3(58) at -0.539512 4.905 11.5248 in (null):W-9999 (7) and CZ(83) at 1.547 3.805 9.81 in (null):F-9999 (9) other bump:1.87915 Ang CZ3(61) at 0.798906 4.55297 11.3631 in (null):W-9999 (7) and CZ(83) at 1.547 3.805 9.81 in (null):F-9999 (9) other bump:2.63489 Ang CZ2(60) at 0.248437 2.84602 9.73227 in (null):W-9999 (7) and CE2(82) at 2.32 3.919 10.957 in (null):F-9999 (9) other bump:1.29808 Ang CH2(62) at 1.17929 3.53891 10.4678 in (null):W-9999 (7) and CE2(82) at 2.32 3.919 10.957 in (null):F-9999 (9) other bump:3.07756 Ang CE3(58) at -0.539512 4.905 11.5248 in (null):W-9999 (7) and CE2(82) at 2.32 3.919 10.957 in (null):F-9999 (9) other bump:1.69722 Ang CZ3(61) at 0.798906 4.55297 11.3631 in (null):W-9999 (7) and CE2(82) at 2.32 3.919 10.957 in (null):F-9999 (9) other bump:3.12613 Ang NE1(59) at -2.22548 2.69064 9.30358 in (null):W-9999 (7) and CE1(81) at 0.888 2.611 9.573 in (null):F-9999 (9) other bump:2.09391 Ang CE2(57) at -1.09452 3.20191 9.89685 in (null):W-9999 (7) and CE1(81) at 0.888 2.611 9.573 in (null):F-9999 (9) other bump:0.699743 Ang CZ2(60) at 0.248437 2.84602 9.73227 in (null):W-9999 (7) and CE1(81) at 0.888 2.611 9.573 in (null):F-9999 (9) other bump:1.32157 Ang CH2(62) at 1.17929 3.53891 10.4678 in (null):W-9999 (7) and CE1(81) at 0.888 2.611 9.573 in (null):F-9999 (9) other bump:3.33311 Ang CE3(58) at -0.539512 4.905 11.5248 in (null):W-9999 (7) and CE1(81) at 0.888 2.611 9.573 in (null):F-9999 (9) other bump:2.64266 Ang CZ3(61) at 0.798906 4.55297 11.3631 in (null):W-9999 (7) and CE1(81) at 0.888 2.611 9.573 in (null):F-9999 (9) other bump:3.01404 Ang CZ2(60) at 0.248437 2.84602 9.73227 in (null):W-9999 (7) and CD2(80) at 2.399 2.857 11.844 in (null):F-9999 (9) other bump:1.96128 Ang CH2(62) at 1.17929 3.53891 10.4678 in (null):W-9999 (7) and CD2(80) at 2.399 2.857 11.844 in (null):F-9999 (9) other bump:2.38073 Ang CZ3(61) at 0.798906 4.55297 11.3631 in (null):W-9999 (7) and CD2(80) at 2.399 2.857 11.844 in (null):F-9999 (9) other bump:2.72794 Ang CE2(57) at -1.09452 3.20191 9.89685 in (null):W-9999 (7) and CD1(79) at 1.02 1.573 10.46 in (null):F-9999 (9) other bump:1.65695 Ang CZ2(60) at 0.248437 2.84602 9.73227 in (null):W-9999 (7) and CD1(79) at 1.02 1.573 10.46 in (null):F-9999 (9) other bump:1.97237 Ang CH2(62) at 1.17929 3.53891 10.4678 in (null):W-9999 (7) and CD1(79) at 1.02 1.573 10.46 in (null):F-9999 (9) other bump:3.12165 Ang CZ3(61) at 0.798906 4.55297 11.3631 in (null):W-9999 (7) and CD1(79) at 1.02 1.573 10.46 in (null):F-9999 (9) other bump:2.68731 Ang CZ2(60) at 0.248437 2.84602 9.73227 in (null):W-9999 (7) and CG(78) at 1.763 1.651 11.603 in (null):F-9999 (9) other bump:2.27895 Ang CH2(62) at 1.17929 3.53891 10.4678 in (null):W-9999 (7) and CG(78) at 1.763 1.651 11.603 in (null):F-9999 (9) other bump:3.06732 Ang CZ3(61) at 0.798906 4.55297 11.3631 in (null):W-9999 (7) and CG(78) at 1.763 1.651 11.603 in (null):F-9999 (9) other bump:2.90112 Ang C(18) at -14.169 15.098 9.536 in (null):D-9999 (2) and CD(28) at -13.5269 12.6518 10.9575 in (null):P-9999 (4) neighbor-bump: 2.38178 Ang CA(20) at -13.575 12.889 8.588 in (null):A-9999 (3) and CD(28) at -13.5269 12.6518 10.9575 in (null):P-9999 (4) neighbor-bump: 1.75969 Ang C(23) at -12.423 12.724 9.589 in (null):A-9999 (3) and CD(28) at -13.5269 12.6518 10.9575 in (null):P-9999 (4) other bump:2.15117 Ang O(17) at -14.041 14.725 10.702 in (null):D-9999 (2) and CD(28) at -13.5269 12.6518 10.9575 in (null):P-9999 (4) other bump:3.27865 Ang C(18) at -14.169 15.098 9.536 in (null):D-9999 (2) and CG(27) at -12.6686 13.4219 11.9212 in (null):P-9999 (4) neighbor-bump: 2.44675 Ang C(23) at -12.423 12.724 9.589 in (null):A-9999 (3) and CG(27) at -12.6686 13.4219 11.9212 in (null):P-9999 (4) other bump:2.25119 Ang O(17) at -14.041 14.725 10.702 in (null):D-9999 (2) and CG(27) at -12.6686 13.4219 11.9212 in (null):P-9999 (4) Number of specific fragments= 1 total=2509 # 2bnh.290.290 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 290 :EDAPHHWHF 2bnh 290 :KLGDEGARL Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52866 Ang NE2(38) at -2.60249 58.5508 30.9751 in (null):H-9999 (5) and CZ(83) at -0.861291 60.2876 30.387 in (null):F-9999 (9) other bump:2.61235 Ang CE1(37) at -3.34346 59.4732 30.3846 in (null):H-9999 (5) and CZ(83) at -0.861291 60.2876 30.387 in (null):F-9999 (9) other bump:2.27041 Ang NE2(38) at -2.60249 58.5508 30.9751 in (null):H-9999 (5) and CE1(81) at -0.439564 58.9779 30.4328 in (null):F-9999 (9) other bump:2.94623 Ang CE1(37) at -3.34346 59.4732 30.3846 in (null):H-9999 (5) and CE1(81) at -0.439564 58.9779 30.4328 in (null):F-9999 (9) other bump:2.52738 Ang CG(14) at 0.70086 50.4194 27.5012 in (null):D-9999 (2) and NE2(48) at 2.2045 51.9449 26.1598 in (null):H-9999 (6) other bump:1.91575 Ang OD2(16) at 1.54209 50.2044 26.609 in (null):D-9999 (2) and NE2(48) at 2.2045 51.9449 26.1598 in (null):H-9999 (6) other bump:2.94346 Ang CG(14) at 0.70086 50.4194 27.5012 in (null):D-9999 (2) and ND1(46) at 1.49903 53.2444 27.7156 in (null):H-9999 (6) other bump:2.33745 Ang CB(13) at -0.719131 50.7155 27.1067 in (null):D-9999 (2) and CD2(45) at 0.842582 52.0566 25.9993 in (null):H-9999 (6) other bump:2.22621 Ang CG(14) at 0.70086 50.4194 27.5012 in (null):D-9999 (2) and CD2(45) at 0.842582 52.0566 25.9993 in (null):H-9999 (6) other bump:2.07162 Ang OD2(16) at 1.54209 50.2044 26.609 in (null):D-9999 (2) and CD2(45) at 0.842582 52.0566 25.9993 in (null):H-9999 (6) other bump:2.43413 Ang CB(13) at -0.719131 50.7155 27.1067 in (null):D-9999 (2) and CG(44) at 0.387726 52.8796 26.9784 in (null):H-9999 (6) other bump:2.53461 Ang CG(14) at 0.70086 50.4194 27.5012 in (null):D-9999 (2) and CG(44) at 0.387726 52.8796 26.9784 in (null):H-9999 (6) other bump:2.69359 Ang CB(13) at -0.719131 50.7155 27.1067 in (null):D-9999 (2) and CB(43) at -0.992264 53.3897 27.2797 in (null):H-9999 (6) other bump:3.11494 Ang C(18) at -2.964 51.035 27.8 in (null):D-9999 (2) and CB(43) at -0.992264 53.3897 27.2797 in (null):H-9999 (6) other bump:2.65037 Ang O(17) at -3.085 52.148 28.33 in (null):D-9999 (2) and CB(43) at -0.992264 53.3897 27.2797 in (null):H-9999 (6) neighbor-bump: 1.90091 Ang CB(21) at -6.32082 51.1498 26.5362 in (null):A-9999 (3) and CD(28) at -7.12979 52.4781 25.4432 in (null):P-9999 (4) self-bump: 1.38899 Ang N(24) at -5.915 53.147 25.365 in (null):P-9999 (4) and CD(28) at -7.12979 52.4781 25.4432 in (null):P-9999 (4) neighbor-bump: 2.35058 Ang CB(21) at -6.32082 51.1498 26.5362 in (null):A-9999 (3) and N(24) at -5.915 53.147 25.365 in (null):P-9999 (4) self-bump: 2.16079 Ang CB(21) at -6.32082 51.1498 26.5362 in (null):A-9999 (3) and C(23) at -4.825 52.526 25.803 in (null):A-9999 (3) self-bump: 1.26978 Ang CA(20) at -5.06 51.272 26.624 in (null):A-9999 (3) and CB(21) at -6.32082 51.1498 26.5362 in (null):A-9999 (3) Number of specific fragments= 1 total=2510 # 1frb.290.290 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 290 :EDAPHHWHF 1frb 291 :FNRNWRACL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22364 Ang C(50) at 86.786 0.051 21.358 in (null):H-9999 (6) and CZ(83) at 85.268 2.86323 21.781 in (null):F-9999 (9) other bump:2.81256 Ang CA(42) at 87.322 1.045 22.402 in (null):H-9999 (6) and CZ(83) at 85.268 2.86323 21.781 in (null):F-9999 (9) other bump:1.68702 Ang CB(43) at 86.1491 1.93246 22.8779 in (null):H-9999 (6) and CZ(83) at 85.268 2.86323 21.781 in (null):F-9999 (9) other bump:2.35481 Ang CG(44) at 86.5921 3.10676 23.713 in (null):H-9999 (6) and CZ(83) at 85.268 2.86323 21.781 in (null):F-9999 (9) other bump:2.64114 Ang ND1(46) at 87.0123 4.289 23.1595 in (null):H-9999 (6) and CZ(83) at 85.268 2.86323 21.781 in (null):F-9999 (9) other bump:2.57153 Ang CB(43) at 86.1491 1.93246 22.8779 in (null):H-9999 (6) and CE2(82) at 84.1481 3.46186 22.3587 in (null):F-9999 (9) other bump:2.81658 Ang CG(44) at 86.5921 3.10676 23.713 in (null):H-9999 (6) and CE2(82) at 84.1481 3.46186 22.3587 in (null):F-9999 (9) other bump:3.08688 Ang ND1(46) at 87.0123 4.289 23.1595 in (null):H-9999 (6) and CE2(82) at 84.1481 3.46186 22.3587 in (null):F-9999 (9) other bump:2.01041 Ang O(49) at 86.253 0.442 20.305 in (null):H-9999 (6) and CE1(81) at 85.1229 2.07255 20.6304 in (null):F-9999 (9) other bump:2.71701 Ang C(50) at 86.786 0.051 21.358 in (null):H-9999 (6) and CE1(81) at 85.1229 2.07255 20.6304 in (null):F-9999 (9) other bump:3.00511 Ang CA(42) at 87.322 1.045 22.402 in (null):H-9999 (6) and CE1(81) at 85.1229 2.07255 20.6304 in (null):F-9999 (9) other bump:2.47474 Ang CB(43) at 86.1491 1.93246 22.8779 in (null):H-9999 (6) and CE1(81) at 85.1229 2.07255 20.6304 in (null):F-9999 (9) neighbor-bump: 2.52247 Ang CE3(58) at 84.1068 -5.62963 21.5511 in (null):W-9999 (7) and NE2(72) at 83.3168 -6.15966 19.2148 in (null):H-9999 (8) neighbor-bump: 1.43505 Ang CE3(58) at 84.1068 -5.62963 21.5511 in (null):W-9999 (7) and CE1(71) at 84.1573 -6.14404 20.2123 in (null):H-9999 (8) neighbor-bump: 2.63571 Ang CD2(56) at 84.9665 -4.97192 22.4301 in (null):W-9999 (7) and CE1(71) at 84.1573 -6.14404 20.2123 in (null):H-9999 (8) neighbor-bump: 2.17781 Ang CZ3(61) at 82.9877 -6.28817 22.0437 in (null):W-9999 (7) and CE1(71) at 84.1573 -6.14404 20.2123 in (null):H-9999 (8) neighbor-bump: 0.727999 Ang CE3(58) at 84.1068 -5.62963 21.5511 in (null):W-9999 (7) and ND1(70) at 83.7962 -5.19808 21.0537 in (null):H-9999 (8) neighbor-bump: 1.82069 Ang CD2(56) at 84.9665 -4.97192 22.4301 in (null):W-9999 (7) and ND1(70) at 83.7962 -5.19808 21.0537 in (null):H-9999 (8) neighbor-bump: 2.88601 Ang CE2(57) at 84.6871 -4.98924 23.7908 in (null):W-9999 (7) and ND1(70) at 83.7962 -5.19808 21.0537 in (null):H-9999 (8) neighbor-bump: 3.27165 Ang CZ2(60) at 83.5642 -5.64987 24.2857 in (null):W-9999 (7) and ND1(70) at 83.7962 -5.19808 21.0537 in (null):H-9999 (8) neighbor-bump: 1.67991 Ang CZ3(61) at 82.9877 -6.28817 22.0437 in (null):W-9999 (7) and ND1(70) at 83.7962 -5.19808 21.0537 in (null):H-9999 (8) neighbor-bump: 2.80496 Ang CH2(62) at 82.7232 -6.29571 23.4014 in (null):W-9999 (7) and ND1(70) at 83.7962 -5.19808 21.0537 in (null):H-9999 (8) neighbor-bump: 2.86718 Ang CG(54) at 86.1299 -4.20124 22.3883 in (null):W-9999 (7) and ND1(70) at 83.7962 -5.19808 21.0537 in (null):H-9999 (8) neighbor-bump: 2.81146 Ang CE3(58) at 84.1068 -5.62963 21.5511 in (null):W-9999 (7) and CD2(69) at 82.3655 -5.2067 19.3846 in (null):H-9999 (8) neighbor-bump: 2.93725 Ang CZ3(61) at 82.9877 -6.28817 22.0437 in (null):W-9999 (7) and CD2(69) at 82.3655 -5.2067 19.3846 in (null):H-9999 (8) neighbor-bump: 2.06435 Ang CE3(58) at 84.1068 -5.62963 21.5511 in (null):W-9999 (7) and CG(68) at 82.6442 -4.57823 20.5426 in (null):H-9999 (8) neighbor-bump: 2.3011 Ang CZ3(61) at 82.9877 -6.28817 22.0437 in (null):W-9999 (7) and CG(68) at 82.6442 -4.57823 20.5426 in (null):H-9999 (8) neighbor-bump: 3.10313 Ang CE3(58) at 84.1068 -5.62963 21.5511 in (null):W-9999 (7) and CB(67) at 81.9386 -3.43091 21.2443 in (null):H-9999 (8) neighbor-bump: 3.14699 Ang CZ3(61) at 82.9877 -6.28817 22.0437 in (null):W-9999 (7) and CB(67) at 81.9386 -3.43091 21.2443 in (null):H-9999 (8) neighbor-bump: 2.21293 Ang O(22) at 93.163 5.378 20.371 in (null):A-9999 (3) and CD(28) at 94.067 6.41086 22.1068 in (null):P-9999 (4) neighbor-bump: 1.73521 Ang C(23) at 93.931 4.925 21.221 in (null):A-9999 (3) and CD(28) at 94.067 6.41086 22.1068 in (null):P-9999 (4) self-bump: 2.22295 Ang CA(25) at 92.309 5.382 22.997 in (null):P-9999 (4) and CD(28) at 94.067 6.41086 22.1068 in (null):P-9999 (4) Number of specific fragments= 1 total=2511 # 1qs0A.290.294 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 290 :EDAPHHWHF 1qs0A 296 :GLGPSLIEW Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.95126 Ang NE2(38) at 7.29911 -13.334 87.2373 in (null):H-9999 (5) and CZ2(60) at 8.93282 -15.777 86.9672 in (null):W-9999 (7) other bump:2.88251 Ang CD2(35) at 8.24698 -13.2802 88.2339 in (null):H-9999 (5) and CZ2(60) at 8.93282 -15.777 86.9672 in (null):W-9999 (7) other bump:1.60092 Ang CE1(37) at 7.31835 -12.2502 86.4945 in (null):H-9999 (5) and NE1(59) at 7.67488 -13.6359 87.2128 in (null):W-9999 (7) other bump:0.482611 Ang NE2(38) at 7.29911 -13.334 87.2373 in (null):H-9999 (5) and NE1(59) at 7.67488 -13.6359 87.2128 in (null):W-9999 (7) other bump:2.15419 Ang CG(34) at 8.87961 -12.0811 88.0914 in (null):H-9999 (5) and NE1(59) at 7.67488 -13.6359 87.2128 in (null):W-9999 (7) other bump:1.22332 Ang CD2(35) at 8.24698 -13.2802 88.2339 in (null):H-9999 (5) and NE1(59) at 7.67488 -13.6359 87.2128 in (null):W-9999 (7) other bump:2.23936 Ang ND1(36) at 8.27114 -11.4883 86.9958 in (null):H-9999 (5) and NE1(59) at 7.67488 -13.6359 87.2128 in (null):W-9999 (7) other bump:2.91008 Ang CE1(37) at 7.31835 -12.2502 86.4945 in (null):H-9999 (5) and CE2(57) at 7.87188 -14.9633 87.3896 in (null):W-9999 (7) other bump:1.73376 Ang NE2(38) at 7.29911 -13.334 87.2373 in (null):H-9999 (5) and CE2(57) at 7.87188 -14.9633 87.3896 in (null):W-9999 (7) other bump:1.92005 Ang CD2(35) at 8.24698 -13.2802 88.2339 in (null):H-9999 (5) and CE2(57) at 7.87188 -14.9633 87.3896 in (null):W-9999 (7) other bump:2.35998 Ang NE2(38) at 7.29911 -13.334 87.2373 in (null):H-9999 (5) and CD2(56) at 6.78451 -15.4645 88.1124 in (null):W-9999 (7) other bump:1.85382 Ang CE1(37) at 7.31835 -12.2502 86.4945 in (null):H-9999 (5) and CD1(55) at 6.50086 -13.2653 87.8128 in (null):W-9999 (7) other bump:0.986469 Ang NE2(38) at 7.29911 -13.334 87.2373 in (null):H-9999 (5) and CD1(55) at 6.50086 -13.2653 87.8128 in (null):W-9999 (7) other bump:2.67176 Ang CG(34) at 8.87961 -12.0811 88.0914 in (null):H-9999 (5) and CD1(55) at 6.50086 -13.2653 87.8128 in (null):W-9999 (7) other bump:1.79623 Ang CD2(35) at 8.24698 -13.2802 88.2339 in (null):H-9999 (5) and CD1(55) at 6.50086 -13.2653 87.8128 in (null):W-9999 (7) other bump:2.63806 Ang ND1(36) at 8.27114 -11.4883 86.9958 in (null):H-9999 (5) and CD1(55) at 6.50086 -13.2653 87.8128 in (null):W-9999 (7) other bump:2.07939 Ang NE2(38) at 7.29911 -13.334 87.2373 in (null):H-9999 (5) and CG(54) at 5.90505 -14.3667 88.3837 in (null):W-9999 (7) other bump:2.58605 Ang CD2(35) at 8.24698 -13.2802 88.2339 in (null):H-9999 (5) and CG(54) at 5.90505 -14.3667 88.3837 in (null):W-9999 (7) neighbor-bump: 2.12674 Ang CB(21) at 15.3509 -6.00507 90.2778 in (null):A-9999 (3) and CD(28) at 13.435 -6.176 91.185 in (null):P-9999 (4) neighbor-bump: 2.3795 Ang CB(21) at 15.3509 -6.00507 90.2778 in (null):A-9999 (3) and N(24) at 13.615 -7.569 90.728 in (null):P-9999 (4) self-bump: 2.17745 Ang CB(21) at 15.3509 -6.00507 90.2778 in (null):A-9999 (3) and C(23) at 14.575 -8.004 89.899 in (null):A-9999 (3) self-bump: 1.30286 Ang CA(20) at 15.669 -7.013 89.516 in (null):A-9999 (3) and CB(21) at 15.3509 -6.00507 90.2778 in (null):A-9999 (3) Number of specific fragments= 1 total=2512 # 1dryA.291.291 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 291 :DAPHHWHFI 1dryA 292 :DRWLHRVYI Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04301 Ang CD2(60) at -1.54022 -1.4939 16.2341 in (null):H-9999 (7) and CD1(82) at -1.209 -3.383 16.938 in (null):I-9999 (9) other bump:1.68892 Ang NE2(63) at -0.458257 -1.87109 16.9925 in (null):H-9999 (7) and CD1(82) at -1.209 -3.383 16.938 in (null):I-9999 (9) other bump:2.57658 Ang CD2(60) at -1.54022 -1.4939 16.2341 in (null):H-9999 (7) and CG1(80) at -1.477 -3.962 15.497 in (null):I-9999 (9) other bump:2.76517 Ang NE2(63) at -0.458257 -1.87109 16.9925 in (null):H-9999 (7) and CG1(80) at -1.477 -3.962 15.497 in (null):I-9999 (9) other bump:2.72978 Ang CE2(48) at -0.887668 2.51076 10.0207 in (null):W-9999 (6) and CZ(74) at 1.783 3.074 9.976 in (null):F-9999 (8) other bump:2.81309 Ang CE3(49) at -0.209275 4.21071 11.6046 in (null):W-9999 (6) and CZ(74) at 1.783 3.074 9.976 in (null):F-9999 (8) other bump:1.69212 Ang CZ2(51) at 0.428457 2.06753 9.85144 in (null):W-9999 (6) and CZ(74) at 1.783 3.074 9.976 in (null):F-9999 (8) other bump:1.75717 Ang CZ3(52) at 1.10259 3.77168 11.4382 in (null):W-9999 (6) and CZ(74) at 1.783 3.074 9.976 in (null):F-9999 (8) other bump:0.782096 Ang CH2(53) at 1.40887 2.71637 10.5623 in (null):W-9999 (6) and CZ(74) at 1.783 3.074 9.976 in (null):F-9999 (8) other bump:2.98714 Ang CE3(49) at -0.209275 4.21071 11.6046 in (null):W-9999 (6) and CE2(73) at 2.563 3.226 11.087 in (null):F-9999 (8) other bump:2.72488 Ang CZ2(51) at 0.428457 2.06753 9.85144 in (null):W-9999 (6) and CE2(73) at 2.563 3.226 11.087 in (null):F-9999 (8) other bump:1.59809 Ang CZ3(52) at 1.10259 3.77168 11.4382 in (null):W-9999 (6) and CE2(73) at 2.563 3.226 11.087 in (null):F-9999 (8) other bump:1.36638 Ang CH2(53) at 1.40887 2.71637 10.5623 in (null):W-9999 (6) and CE2(73) at 2.563 3.226 11.087 in (null):F-9999 (8) other bump:2.06257 Ang CE2(48) at -0.887668 2.51076 10.0207 in (null):W-9999 (6) and CE1(72) at 1.069 1.914 9.757 in (null):F-9999 (8) other bump:3.14225 Ang NE1(50) at -2.05485 2.05885 9.44981 in (null):W-9999 (6) and CE1(72) at 1.069 1.914 9.757 in (null):F-9999 (8) other bump:3.21284 Ang CE3(49) at -0.209275 4.21071 11.6046 in (null):W-9999 (6) and CE1(72) at 1.069 1.914 9.757 in (null):F-9999 (8) other bump:0.665421 Ang CZ2(51) at 0.428457 2.06753 9.85144 in (null):W-9999 (6) and CE1(72) at 1.069 1.914 9.757 in (null):F-9999 (8) other bump:2.50568 Ang CZ3(52) at 1.10259 3.77168 11.4382 in (null):W-9999 (6) and CE1(72) at 1.069 1.914 9.757 in (null):F-9999 (8) other bump:1.18655 Ang CH2(53) at 1.40887 2.71637 10.5623 in (null):W-9999 (6) and CE1(72) at 1.069 1.914 9.757 in (null):F-9999 (8) other bump:2.30546 Ang CZ3(52) at 1.10259 3.77168 11.4382 in (null):W-9999 (6) and CD2(71) at 2.655 2.166 12.01 in (null):F-9999 (8) other bump:1.98782 Ang CH2(53) at 1.40887 2.71637 10.5623 in (null):W-9999 (6) and CD2(71) at 2.655 2.166 12.01 in (null):F-9999 (8) other bump:2.69941 Ang CE2(48) at -0.887668 2.51076 10.0207 in (null):W-9999 (6) and CD1(70) at 1.169 0.889 10.674 in (null):F-9999 (8) other bump:1.61677 Ang CZ2(51) at 0.428457 2.06753 9.85144 in (null):W-9999 (6) and CD1(70) at 1.169 0.889 10.674 in (null):F-9999 (8) other bump:2.98299 Ang CZ3(52) at 1.10259 3.77168 11.4382 in (null):W-9999 (6) and CD1(70) at 1.169 0.889 10.674 in (null):F-9999 (8) other bump:1.84642 Ang CH2(53) at 1.40887 2.71637 10.5623 in (null):W-9999 (6) and CD1(70) at 1.169 0.889 10.674 in (null):F-9999 (8) other bump:2.69942 Ang CZ2(51) at 0.428457 2.06753 9.85144 in (null):W-9999 (6) and CG(69) at 1.963 0.993 11.795 in (null):F-9999 (8) other bump:2.93065 Ang CZ3(52) at 1.10259 3.77168 11.4382 in (null):W-9999 (6) and CG(69) at 1.963 0.993 11.795 in (null):F-9999 (8) other bump:2.19009 Ang CH2(53) at 1.40887 2.71637 10.5623 in (null):W-9999 (6) and CG(69) at 1.963 0.993 11.795 in (null):F-9999 (8) neighbor-bump: 2.33171 Ang CA(11) at -12.95 12.616 8.605 in (null):A-9999 (2) and CD(19) at -12.7787 12.5077 10.9279 in (null):P-9999 (3) other bump:2.14756 Ang O(8) at -13.307 14.574 10.676 in (null):D-9999 (1) and CD(19) at -12.7787 12.5077 10.9279 in (null):P-9999 (3) other bump:2.86658 Ang C(9) at -13.381 14.897 9.463 in (null):D-9999 (1) and CD(19) at -12.7787 12.5077 10.9279 in (null):P-9999 (3) neighbor-bump: 1.64353 Ang C(14) at -11.788 12.473 9.617 in (null):A-9999 (2) and CD(19) at -12.7787 12.5077 10.9279 in (null):P-9999 (3) other bump:2.25294 Ang O(8) at -13.307 14.574 10.676 in (null):D-9999 (1) and CG(18) at -11.8627 13.2861 11.8297 in (null):P-9999 (3) other bump:3.24062 Ang C(9) at -13.381 14.897 9.463 in (null):D-9999 (1) and CG(18) at -11.8627 13.2861 11.8297 in (null):P-9999 (3) neighbor-bump: 2.51369 Ang O(13) at -10.805 13.234 9.55 in (null):A-9999 (2) and CG(18) at -11.8627 13.2861 11.8297 in (null):P-9999 (3) neighbor-bump: 2.3586 Ang C(14) at -11.788 12.473 9.617 in (null):A-9999 (2) and CG(18) at -11.8627 13.2861 11.8297 in (null):P-9999 (3) Number of specific fragments= 1 total=2513 # 1drtA.291.291 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 291 :DAPHHWHFI 1drtA 292 :DRWLHRVYI Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.22207 Ang CD2(60) at -1.65615 -1.27192 16.2954 in (null):H-9999 (7) and CD1(82) at -1.054 -3.344 16.826 in (null):I-9999 (9) other bump:1.76886 Ang NE2(63) at -0.595715 -1.65467 17.081 in (null):H-9999 (7) and CD1(82) at -1.054 -3.344 16.826 in (null):I-9999 (9) other bump:2.7696 Ang CD2(60) at -1.65615 -1.27192 16.2954 in (null):H-9999 (7) and CG1(80) at -1.463 -3.919 15.504 in (null):I-9999 (9) other bump:2.89244 Ang NE2(63) at -0.595715 -1.65467 17.081 in (null):H-9999 (7) and CG1(80) at -1.463 -3.919 15.504 in (null):I-9999 (9) other bump:2.57338 Ang CE2(48) at -0.875991 2.78533 10.1125 in (null):W-9999 (6) and CZ(74) at 1.644 3.265 9.908 in (null):F-9999 (8) other bump:2.95511 Ang CE3(49) at -0.327147 4.49924 11.7311 in (null):W-9999 (6) and CZ(74) at 1.644 3.265 9.908 in (null):F-9999 (8) other bump:1.45731 Ang CZ2(51) at 0.464977 2.41105 9.97464 in (null):W-9999 (6) and CZ(74) at 1.644 3.265 9.908 in (null):F-9999 (8) other bump:1.99969 Ang CZ3(52) at 1.00928 4.12892 11.5961 in (null):W-9999 (6) and CZ(74) at 1.644 3.265 9.908 in (null):F-9999 (8) other bump:0.864463 Ang CH2(53) at 1.39193 3.10043 10.7184 in (null):W-9999 (6) and CZ(74) at 1.644 3.265 9.908 in (null):F-9999 (8) other bump:3.02776 Ang CE3(49) at -0.327147 4.49924 11.7311 in (null):W-9999 (6) and CE2(73) at 2.409 3.39 11.06 in (null):F-9999 (8) other bump:2.43219 Ang CZ2(51) at 0.464977 2.41105 9.97464 in (null):W-9999 (6) and CE2(73) at 2.409 3.39 11.06 in (null):F-9999 (8) other bump:1.6711 Ang CZ3(52) at 1.00928 4.12892 11.5961 in (null):W-9999 (6) and CE2(73) at 2.409 3.39 11.06 in (null):F-9999 (8) other bump:1.11131 Ang CH2(53) at 1.39193 3.10043 10.7184 in (null):W-9999 (6) and CE2(73) at 2.409 3.39 11.06 in (null):F-9999 (8) other bump:2.06871 Ang CE2(48) at -0.875991 2.78533 10.1125 in (null):W-9999 (6) and CE1(72) at 0.999 2.066 9.616 in (null):F-9999 (8) other bump:3.01187 Ang NE1(50) at -2.00312 2.28159 9.50569 in (null):W-9999 (6) and CE1(72) at 0.999 2.066 9.616 in (null):F-9999 (8) other bump:0.729975 Ang CZ2(51) at 0.464977 2.41105 9.97464 in (null):W-9999 (6) and CE1(72) at 0.999 2.066 9.616 in (null):F-9999 (8) other bump:2.85943 Ang CZ3(52) at 1.00928 4.12892 11.5961 in (null):W-9999 (6) and CE1(72) at 0.999 2.066 9.616 in (null):F-9999 (8) other bump:1.56193 Ang CH2(53) at 1.39193 3.10043 10.7184 in (null):W-9999 (6) and CE1(72) at 0.999 2.066 9.616 in (null):F-9999 (8) other bump:2.84263 Ang CZ2(51) at 0.464977 2.41105 9.97464 in (null):W-9999 (6) and CD2(71) at 2.528 2.298 11.927 in (null):F-9999 (8) other bump:2.40173 Ang CZ3(52) at 1.00928 4.12892 11.5961 in (null):W-9999 (6) and CD2(71) at 2.528 2.298 11.927 in (null):F-9999 (8) other bump:1.84265 Ang CH2(53) at 1.39193 3.10043 10.7184 in (null):W-9999 (6) and CD2(71) at 2.528 2.298 11.927 in (null):F-9999 (8) other bump:2.72061 Ang CE2(48) at -0.875991 2.78533 10.1125 in (null):W-9999 (6) and CD1(70) at 1.128 0.984 10.488 in (null):F-9999 (8) other bump:1.65518 Ang CZ2(51) at 0.464977 2.41105 9.97464 in (null):W-9999 (6) and CD1(70) at 1.128 0.984 10.488 in (null):F-9999 (8) other bump:2.14523 Ang CH2(53) at 1.39193 3.10043 10.7184 in (null):W-9999 (6) and CD1(70) at 1.128 0.984 10.488 in (null):F-9999 (8) other bump:2.57153 Ang CZ2(51) at 0.464977 2.41105 9.97464 in (null):W-9999 (6) and CG(69) at 1.891 1.081 11.651 in (null):F-9999 (8) other bump:3.17337 Ang CZ3(52) at 1.00928 4.12892 11.5961 in (null):W-9999 (6) and CG(69) at 1.891 1.081 11.651 in (null):F-9999 (8) other bump:2.27969 Ang CH2(53) at 1.39193 3.10043 10.7184 in (null):W-9999 (6) and CG(69) at 1.891 1.081 11.651 in (null):F-9999 (8) other bump:2.18588 Ang O(8) at -13.772 14.464 10.473 in (null):D-9999 (1) and CD(19) at -13.1666 12.433 11.0083 in (null):P-9999 (3) neighbor-bump: 1.86528 Ang C(14) at -12.01 12.455 9.545 in (null):A-9999 (2) and CD(19) at -13.1666 12.433 11.0083 in (null):P-9999 (3) other bump:2.39209 Ang O(8) at -13.772 14.464 10.473 in (null):D-9999 (1) and CG(18) at -12.2732 13.2561 11.8931 in (null):P-9999 (3) neighbor-bump: 2.49492 Ang C(14) at -12.01 12.455 9.545 in (null):A-9999 (2) and CG(18) at -12.2732 13.2561 11.8931 in (null):P-9999 (3) Number of specific fragments= 1 total=2514 # 1ds1A.291.291 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 291 :DAPHHWHFI 1ds1A 292 :DRWLHRVYI Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15558 Ang CD2(60) at -1.61932 -1.07103 15.9254 in (null):H-9999 (7) and CD1(82) at -1.3 -3.115 16.531 in (null):I-9999 (9) other bump:1.86429 Ang NE2(63) at -0.512729 -1.42978 16.6567 in (null):H-9999 (7) and CD1(82) at -1.3 -3.115 16.531 in (null):I-9999 (9) other bump:2.70397 Ang CD2(60) at -1.61932 -1.07103 15.9254 in (null):H-9999 (7) and CG1(80) at -1.516 -3.648 15.113 in (null):I-9999 (9) other bump:2.88273 Ang NE2(63) at -0.512729 -1.42978 16.6567 in (null):H-9999 (7) and CG1(80) at -1.516 -3.648 15.113 in (null):I-9999 (9) neighbor-bump: 3.1867 Ang CD2(60) at -1.61932 -1.07103 15.9254 in (null):H-9999 (7) and C(76) at 0.94 -1.248 14.035 in (null):F-9999 (8) other bump:2.71089 Ang CE2(48) at -1.09452 3.20191 9.89685 in (null):W-9999 (6) and CZ(74) at 1.547 3.805 9.81 in (null):F-9999 (8) other bump:2.91615 Ang CE3(49) at -0.539512 4.905 11.5248 in (null):W-9999 (6) and CZ(74) at 1.547 3.805 9.81 in (null):F-9999 (8) other bump:1.61615 Ang CZ2(51) at 0.248437 2.84602 9.73227 in (null):W-9999 (6) and CZ(74) at 1.547 3.805 9.81 in (null):F-9999 (8) other bump:1.87915 Ang CZ3(52) at 0.798906 4.55297 11.3631 in (null):W-9999 (6) and CZ(74) at 1.547 3.805 9.81 in (null):F-9999 (8) other bump:0.799196 Ang CH2(53) at 1.17929 3.53891 10.4678 in (null):W-9999 (6) and CZ(74) at 1.547 3.805 9.81 in (null):F-9999 (8) other bump:3.07756 Ang CE3(49) at -0.539512 4.905 11.5248 in (null):W-9999 (6) and CE2(73) at 2.32 3.919 10.957 in (null):F-9999 (8) other bump:2.63489 Ang CZ2(51) at 0.248437 2.84602 9.73227 in (null):W-9999 (6) and CE2(73) at 2.32 3.919 10.957 in (null):F-9999 (8) other bump:1.69722 Ang CZ3(52) at 0.798906 4.55297 11.3631 in (null):W-9999 (6) and CE2(73) at 2.32 3.919 10.957 in (null):F-9999 (8) other bump:1.29808 Ang CH2(53) at 1.17929 3.53891 10.4678 in (null):W-9999 (6) and CE2(73) at 2.32 3.919 10.957 in (null):F-9999 (8) other bump:2.09391 Ang CE2(48) at -1.09452 3.20191 9.89685 in (null):W-9999 (6) and CE1(72) at 0.888 2.611 9.573 in (null):F-9999 (8) other bump:3.12613 Ang NE1(50) at -2.22548 2.69064 9.30358 in (null):W-9999 (6) and CE1(72) at 0.888 2.611 9.573 in (null):F-9999 (8) other bump:3.33311 Ang CE3(49) at -0.539512 4.905 11.5248 in (null):W-9999 (6) and CE1(72) at 0.888 2.611 9.573 in (null):F-9999 (8) other bump:0.699743 Ang CZ2(51) at 0.248437 2.84602 9.73227 in (null):W-9999 (6) and CE1(72) at 0.888 2.611 9.573 in (null):F-9999 (8) other bump:2.64266 Ang CZ3(52) at 0.798906 4.55297 11.3631 in (null):W-9999 (6) and CE1(72) at 0.888 2.611 9.573 in (null):F-9999 (8) other bump:1.32157 Ang CH2(53) at 1.17929 3.53891 10.4678 in (null):W-9999 (6) and CE1(72) at 0.888 2.611 9.573 in (null):F-9999 (8) other bump:3.01404 Ang CZ2(51) at 0.248437 2.84602 9.73227 in (null):W-9999 (6) and CD2(71) at 2.399 2.857 11.844 in (null):F-9999 (8) other bump:2.38073 Ang CZ3(52) at 0.798906 4.55297 11.3631 in (null):W-9999 (6) and CD2(71) at 2.399 2.857 11.844 in (null):F-9999 (8) other bump:1.96128 Ang CH2(53) at 1.17929 3.53891 10.4678 in (null):W-9999 (6) and CD2(71) at 2.399 2.857 11.844 in (null):F-9999 (8) other bump:2.72794 Ang CE2(48) at -1.09452 3.20191 9.89685 in (null):W-9999 (6) and CD1(70) at 1.02 1.573 10.46 in (null):F-9999 (8) other bump:1.65695 Ang CZ2(51) at 0.248437 2.84602 9.73227 in (null):W-9999 (6) and CD1(70) at 1.02 1.573 10.46 in (null):F-9999 (8) other bump:3.12165 Ang CZ3(52) at 0.798906 4.55297 11.3631 in (null):W-9999 (6) and CD1(70) at 1.02 1.573 10.46 in (null):F-9999 (8) other bump:1.97237 Ang CH2(53) at 1.17929 3.53891 10.4678 in (null):W-9999 (6) and CD1(70) at 1.02 1.573 10.46 in (null):F-9999 (8) other bump:2.68731 Ang CZ2(51) at 0.248437 2.84602 9.73227 in (null):W-9999 (6) and CG(69) at 1.763 1.651 11.603 in (null):F-9999 (8) other bump:3.06732 Ang CZ3(52) at 0.798906 4.55297 11.3631 in (null):W-9999 (6) and CG(69) at 1.763 1.651 11.603 in (null):F-9999 (8) other bump:2.27895 Ang CH2(53) at 1.17929 3.53891 10.4678 in (null):W-9999 (6) and CG(69) at 1.763 1.651 11.603 in (null):F-9999 (8) other bump:2.90112 Ang C(9) at -14.169 15.098 9.536 in (null):D-9999 (1) and CD(19) at -13.5269 12.6518 10.9575 in (null):P-9999 (3) neighbor-bump: 2.38178 Ang CA(11) at -13.575 12.889 8.588 in (null):A-9999 (2) and CD(19) at -13.5269 12.6518 10.9575 in (null):P-9999 (3) other bump:2.15117 Ang O(8) at -14.041 14.725 10.702 in (null):D-9999 (1) and CD(19) at -13.5269 12.6518 10.9575 in (null):P-9999 (3) neighbor-bump: 1.75969 Ang C(14) at -12.423 12.724 9.589 in (null):A-9999 (2) and CD(19) at -13.5269 12.6518 10.9575 in (null):P-9999 (3) other bump:3.27865 Ang C(9) at -14.169 15.098 9.536 in (null):D-9999 (1) and CG(18) at -12.6686 13.4219 11.9212 in (null):P-9999 (3) other bump:2.25119 Ang O(8) at -14.041 14.725 10.702 in (null):D-9999 (1) and CG(18) at -12.6686 13.4219 11.9212 in (null):P-9999 (3) neighbor-bump: 2.44675 Ang C(14) at -12.423 12.724 9.589 in (null):A-9999 (2) and CG(18) at -12.6686 13.4219 11.9212 in (null):P-9999 (3) Number of specific fragments= 1 total=2515 # 2bnh.291.291 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 291 :DAPHHWHFI 2bnh 291 :LGDEGARLL Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52866 Ang NE2(29) at -2.60249 58.5508 30.9751 in (null):H-9999 (4) and CZ(74) at -0.86129 60.2876 30.387 in (null):F-9999 (8) other bump:2.61235 Ang CE1(28) at -3.34346 59.4732 30.3846 in (null):H-9999 (4) and CZ(74) at -0.86129 60.2876 30.387 in (null):F-9999 (8) other bump:2.27041 Ang NE2(29) at -2.60249 58.5508 30.9751 in (null):H-9999 (4) and CE1(72) at -0.439561 58.9779 30.4328 in (null):F-9999 (8) other bump:2.94623 Ang CE1(28) at -3.34346 59.4732 30.3846 in (null):H-9999 (4) and CE1(72) at -0.439561 58.9779 30.4328 in (null):F-9999 (8) other bump:2.52738 Ang CG(5) at 0.70086 50.4194 27.5012 in (null):D-9999 (1) and NE2(39) at 2.2045 51.9449 26.1598 in (null):H-9999 (5) other bump:1.91575 Ang OD2(7) at 1.5421 50.2044 26.609 in (null):D-9999 (1) and NE2(39) at 2.2045 51.9449 26.1598 in (null):H-9999 (5) other bump:2.94346 Ang CG(5) at 0.70086 50.4194 27.5012 in (null):D-9999 (1) and ND1(37) at 1.49903 53.2444 27.7156 in (null):H-9999 (5) other bump:2.33745 Ang CB(4) at -0.719131 50.7155 27.1067 in (null):D-9999 (1) and CD2(36) at 0.842582 52.0566 25.9993 in (null):H-9999 (5) other bump:2.22621 Ang CG(5) at 0.70086 50.4194 27.5012 in (null):D-9999 (1) and CD2(36) at 0.842582 52.0566 25.9993 in (null):H-9999 (5) other bump:2.07162 Ang OD2(7) at 1.5421 50.2044 26.609 in (null):D-9999 (1) and CD2(36) at 0.842582 52.0566 25.9993 in (null):H-9999 (5) other bump:2.43413 Ang CB(4) at -0.719131 50.7155 27.1067 in (null):D-9999 (1) and CG(35) at 0.387726 52.8796 26.9784 in (null):H-9999 (5) other bump:2.53461 Ang CG(5) at 0.70086 50.4194 27.5012 in (null):D-9999 (1) and CG(35) at 0.387726 52.8796 26.9784 in (null):H-9999 (5) other bump:2.69359 Ang CB(4) at -0.719131 50.7155 27.1067 in (null):D-9999 (1) and CB(34) at -0.992264 53.3897 27.2797 in (null):H-9999 (5) other bump:3.11494 Ang C(9) at -2.964 51.035 27.8 in (null):D-9999 (1) and CB(34) at -0.992264 53.3897 27.2797 in (null):H-9999 (5) other bump:2.65037 Ang O(8) at -3.085 52.148 28.33 in (null):D-9999 (1) and CB(34) at -0.992264 53.3897 27.2797 in (null):H-9999 (5) neighbor-bump: 1.90091 Ang CB(12) at -6.32082 51.1498 26.5362 in (null):A-9999 (2) and CD(19) at -7.12979 52.4781 25.4432 in (null):P-9999 (3) self-bump: 1.38899 Ang N(15) at -5.915 53.147 25.365 in (null):P-9999 (3) and CD(19) at -7.12979 52.4781 25.4432 in (null):P-9999 (3) neighbor-bump: 2.35058 Ang CB(12) at -6.32082 51.1498 26.5362 in (null):A-9999 (2) and N(15) at -5.915 53.147 25.365 in (null):P-9999 (3) self-bump: 2.16079 Ang CB(12) at -6.32082 51.1498 26.5362 in (null):A-9999 (2) and C(14) at -4.825 52.526 25.803 in (null):A-9999 (2) self-bump: 1.26978 Ang CA(11) at -5.06 51.272 26.624 in (null):A-9999 (2) and CB(12) at -6.32082 51.1498 26.5362 in (null):A-9999 (2) Number of specific fragments= 1 total=2516 # 1frb.291.291 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 291 :DAPHHWHFI 1frb 292 :NRNWRACLL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22365 Ang C(41) at 86.786 0.051 21.358 in (null):H-9999 (5) and CZ(74) at 85.268 2.86324 21.781 in (null):F-9999 (8) other bump:1.68703 Ang CB(34) at 86.1491 1.93246 22.8779 in (null):H-9999 (5) and CZ(74) at 85.268 2.86324 21.781 in (null):F-9999 (8) other bump:2.35482 Ang CG(35) at 86.5921 3.10676 23.713 in (null):H-9999 (5) and CZ(74) at 85.268 2.86324 21.781 in (null):F-9999 (8) other bump:2.81258 Ang CA(33) at 87.322 1.045 22.402 in (null):H-9999 (5) and CZ(74) at 85.268 2.86324 21.781 in (null):F-9999 (8) other bump:2.64115 Ang ND1(37) at 87.0123 4.289 23.1595 in (null):H-9999 (5) and CZ(74) at 85.268 2.86324 21.781 in (null):F-9999 (8) other bump:2.57154 Ang CB(34) at 86.1491 1.93246 22.8779 in (null):H-9999 (5) and CE2(73) at 84.1481 3.46186 22.3587 in (null):F-9999 (8) other bump:2.81659 Ang CG(35) at 86.5921 3.10676 23.713 in (null):H-9999 (5) and CE2(73) at 84.1481 3.46186 22.3587 in (null):F-9999 (8) other bump:3.08689 Ang ND1(37) at 87.0123 4.289 23.1595 in (null):H-9999 (5) and CE2(73) at 84.1481 3.46186 22.3587 in (null):F-9999 (8) other bump:2.01042 Ang O(40) at 86.253 0.442 20.305 in (null):H-9999 (5) and CE1(72) at 85.1229 2.07256 20.6304 in (null):F-9999 (8) other bump:2.71702 Ang C(41) at 86.786 0.051 21.358 in (null):H-9999 (5) and CE1(72) at 85.1229 2.07256 20.6304 in (null):F-9999 (8) other bump:2.47476 Ang CB(34) at 86.1491 1.93246 22.8779 in (null):H-9999 (5) and CE1(72) at 85.1229 2.07256 20.6304 in (null):F-9999 (8) other bump:3.00512 Ang CA(33) at 87.322 1.045 22.402 in (null):H-9999 (5) and CE1(72) at 85.1229 2.07256 20.6304 in (null):F-9999 (8) neighbor-bump: 2.52247 Ang CE3(49) at 84.1068 -5.62963 21.5511 in (null):W-9999 (6) and NE2(63) at 83.3168 -6.15966 19.2148 in (null):H-9999 (7) neighbor-bump: 1.43505 Ang CE3(49) at 84.1068 -5.62963 21.5511 in (null):W-9999 (6) and CE1(62) at 84.1573 -6.14404 20.2123 in (null):H-9999 (7) neighbor-bump: 2.63571 Ang CD2(47) at 84.9665 -4.97192 22.4301 in (null):W-9999 (6) and CE1(62) at 84.1573 -6.14404 20.2123 in (null):H-9999 (7) neighbor-bump: 2.17781 Ang CZ3(52) at 82.9877 -6.28817 22.0437 in (null):W-9999 (6) and CE1(62) at 84.1573 -6.14404 20.2123 in (null):H-9999 (7) neighbor-bump: 2.80496 Ang CH2(53) at 82.7232 -6.29571 23.4014 in (null):W-9999 (6) and ND1(61) at 83.7962 -5.19808 21.0537 in (null):H-9999 (7) neighbor-bump: 0.727999 Ang CE3(49) at 84.1068 -5.62963 21.5511 in (null):W-9999 (6) and ND1(61) at 83.7962 -5.19808 21.0537 in (null):H-9999 (7) neighbor-bump: 2.86718 Ang CG(45) at 86.1299 -4.20124 22.3883 in (null):W-9999 (6) and ND1(61) at 83.7962 -5.19808 21.0537 in (null):H-9999 (7) neighbor-bump: 1.82069 Ang CD2(47) at 84.9665 -4.97192 22.4301 in (null):W-9999 (6) and ND1(61) at 83.7962 -5.19808 21.0537 in (null):H-9999 (7) neighbor-bump: 2.88601 Ang CE2(48) at 84.6871 -4.98924 23.7908 in (null):W-9999 (6) and ND1(61) at 83.7962 -5.19808 21.0537 in (null):H-9999 (7) neighbor-bump: 3.27165 Ang CZ2(51) at 83.5642 -5.64987 24.2857 in (null):W-9999 (6) and ND1(61) at 83.7962 -5.19808 21.0537 in (null):H-9999 (7) neighbor-bump: 1.67991 Ang CZ3(52) at 82.9877 -6.28817 22.0437 in (null):W-9999 (6) and ND1(61) at 83.7962 -5.19808 21.0537 in (null):H-9999 (7) neighbor-bump: 2.81146 Ang CE3(49) at 84.1068 -5.62963 21.5511 in (null):W-9999 (6) and CD2(60) at 82.3655 -5.2067 19.3846 in (null):H-9999 (7) neighbor-bump: 2.93725 Ang CZ3(52) at 82.9877 -6.28817 22.0437 in (null):W-9999 (6) and CD2(60) at 82.3655 -5.2067 19.3846 in (null):H-9999 (7) neighbor-bump: 2.06435 Ang CE3(49) at 84.1068 -5.62963 21.5511 in (null):W-9999 (6) and CG(59) at 82.6442 -4.57823 20.5426 in (null):H-9999 (7) neighbor-bump: 2.3011 Ang CZ3(52) at 82.9877 -6.28817 22.0437 in (null):W-9999 (6) and CG(59) at 82.6442 -4.57823 20.5426 in (null):H-9999 (7) neighbor-bump: 3.10313 Ang CE3(49) at 84.1068 -5.62963 21.5511 in (null):W-9999 (6) and CB(58) at 81.9386 -3.43091 21.2443 in (null):H-9999 (7) neighbor-bump: 3.14699 Ang CZ3(52) at 82.9877 -6.28817 22.0437 in (null):W-9999 (6) and CB(58) at 81.9386 -3.43091 21.2443 in (null):H-9999 (7) neighbor-bump: 2.21293 Ang O(13) at 93.163 5.378 20.371 in (null):A-9999 (2) and CD(19) at 94.067 6.41086 22.1068 in (null):P-9999 (3) neighbor-bump: 1.73521 Ang C(14) at 93.931 4.925 21.221 in (null):A-9999 (2) and CD(19) at 94.067 6.41086 22.1068 in (null):P-9999 (3) self-bump: 2.22295 Ang CA(16) at 92.309 5.382 22.997 in (null):P-9999 (3) and CD(19) at 94.067 6.41086 22.1068 in (null):P-9999 (3) Number of specific fragments= 1 total=2517 # 1qs0A.291.295 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 291 :DAPHHWHFI 1qs0A 297 :LGPSLIEWV Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.95126 Ang NE2(29) at 7.29911 -13.334 87.2373 in (null):H-9999 (4) and CZ2(51) at 8.93282 -15.777 86.9672 in (null):W-9999 (6) other bump:2.88251 Ang CD2(26) at 8.24698 -13.2802 88.2339 in (null):H-9999 (4) and CZ2(51) at 8.93282 -15.777 86.9672 in (null):W-9999 (6) other bump:0.482611 Ang NE2(29) at 7.29911 -13.334 87.2373 in (null):H-9999 (4) and NE1(50) at 7.67488 -13.6359 87.2128 in (null):W-9999 (6) other bump:2.15419 Ang CG(25) at 8.87961 -12.0811 88.0914 in (null):H-9999 (4) and NE1(50) at 7.67488 -13.6359 87.2128 in (null):W-9999 (6) other bump:2.23936 Ang ND1(27) at 8.27114 -11.4883 86.9958 in (null):H-9999 (4) and NE1(50) at 7.67488 -13.6359 87.2128 in (null):W-9999 (6) other bump:1.60092 Ang CE1(28) at 7.31835 -12.2502 86.4945 in (null):H-9999 (4) and NE1(50) at 7.67488 -13.6359 87.2128 in (null):W-9999 (6) other bump:1.22332 Ang CD2(26) at 8.24698 -13.2802 88.2339 in (null):H-9999 (4) and NE1(50) at 7.67488 -13.6359 87.2128 in (null):W-9999 (6) other bump:1.73376 Ang NE2(29) at 7.29911 -13.334 87.2373 in (null):H-9999 (4) and CE2(48) at 7.87188 -14.9633 87.3896 in (null):W-9999 (6) other bump:2.91008 Ang CE1(28) at 7.31835 -12.2502 86.4945 in (null):H-9999 (4) and CE2(48) at 7.87188 -14.9633 87.3896 in (null):W-9999 (6) other bump:1.92005 Ang CD2(26) at 8.24698 -13.2802 88.2339 in (null):H-9999 (4) and CE2(48) at 7.87188 -14.9633 87.3896 in (null):W-9999 (6) other bump:2.35998 Ang NE2(29) at 7.29911 -13.334 87.2373 in (null):H-9999 (4) and CD2(47) at 6.78451 -15.4645 88.1124 in (null):W-9999 (6) other bump:0.986469 Ang NE2(29) at 7.29911 -13.334 87.2373 in (null):H-9999 (4) and CD1(46) at 6.50086 -13.2653 87.8128 in (null):W-9999 (6) other bump:2.67176 Ang CG(25) at 8.87961 -12.0811 88.0914 in (null):H-9999 (4) and CD1(46) at 6.50086 -13.2653 87.8128 in (null):W-9999 (6) other bump:2.63806 Ang ND1(27) at 8.27114 -11.4883 86.9958 in (null):H-9999 (4) and CD1(46) at 6.50086 -13.2653 87.8128 in (null):W-9999 (6) other bump:1.85382 Ang CE1(28) at 7.31835 -12.2502 86.4945 in (null):H-9999 (4) and CD1(46) at 6.50086 -13.2653 87.8128 in (null):W-9999 (6) other bump:1.79623 Ang CD2(26) at 8.24698 -13.2802 88.2339 in (null):H-9999 (4) and CD1(46) at 6.50086 -13.2653 87.8128 in (null):W-9999 (6) other bump:2.07939 Ang NE2(29) at 7.29911 -13.334 87.2373 in (null):H-9999 (4) and CG(45) at 5.90505 -14.3667 88.3837 in (null):W-9999 (6) other bump:2.58605 Ang CD2(26) at 8.24698 -13.2802 88.2339 in (null):H-9999 (4) and CG(45) at 5.90505 -14.3667 88.3837 in (null):W-9999 (6) neighbor-bump: 2.12673 Ang CB(12) at 15.3509 -6.00507 90.2778 in (null):A-9999 (2) and CD(19) at 13.435 -6.176 91.185 in (null):P-9999 (3) neighbor-bump: 2.3795 Ang CB(12) at 15.3509 -6.00507 90.2778 in (null):A-9999 (2) and N(15) at 13.615 -7.569 90.728 in (null):P-9999 (3) self-bump: 2.17745 Ang CB(12) at 15.3509 -6.00507 90.2778 in (null):A-9999 (2) and C(14) at 14.575 -8.004 89.899 in (null):A-9999 (2) self-bump: 1.30286 Ang CA(11) at 15.669 -7.013 89.516 in (null):A-9999 (2) and CB(12) at 15.3509 -6.00507 90.2778 in (null):A-9999 (2) Number of specific fragments= 1 total=2518 # 1dryA.292.292 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 292 :APHHWHFIN 1dryA 293 :RWLHRVYIR Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04301 Ang CD2(52) at -1.54022 -1.4939 16.2341 in (null):H-9999 (6) and CD1(74) at -1.209 -3.383 16.938 in (null):I-9999 (8) other bump:1.68892 Ang NE2(55) at -0.458257 -1.87109 16.9925 in (null):H-9999 (6) and CD1(74) at -1.209 -3.383 16.938 in (null):I-9999 (8) other bump:2.57658 Ang CD2(52) at -1.54022 -1.4939 16.2341 in (null):H-9999 (6) and CG1(72) at -1.477 -3.962 15.497 in (null):I-9999 (8) other bump:2.76517 Ang NE2(55) at -0.458257 -1.87109 16.9925 in (null):H-9999 (6) and CG1(72) at -1.477 -3.962 15.497 in (null):I-9999 (8) other bump:1.69212 Ang CZ2(43) at 0.428457 2.06753 9.85144 in (null):W-9999 (5) and CZ(66) at 1.783 3.074 9.976 in (null):F-9999 (7) other bump:2.72978 Ang CE2(40) at -0.887668 2.51076 10.0207 in (null):W-9999 (5) and CZ(66) at 1.783 3.074 9.976 in (null):F-9999 (7) other bump:0.782096 Ang CH2(45) at 1.40887 2.71637 10.5623 in (null):W-9999 (5) and CZ(66) at 1.783 3.074 9.976 in (null):F-9999 (7) other bump:2.81309 Ang CE3(41) at -0.209275 4.21071 11.6046 in (null):W-9999 (5) and CZ(66) at 1.783 3.074 9.976 in (null):F-9999 (7) other bump:1.75717 Ang CZ3(44) at 1.10259 3.77168 11.4382 in (null):W-9999 (5) and CZ(66) at 1.783 3.074 9.976 in (null):F-9999 (7) other bump:2.72488 Ang CZ2(43) at 0.428457 2.06753 9.85144 in (null):W-9999 (5) and CE2(65) at 2.563 3.226 11.087 in (null):F-9999 (7) other bump:1.36638 Ang CH2(45) at 1.40887 2.71637 10.5623 in (null):W-9999 (5) and CE2(65) at 2.563 3.226 11.087 in (null):F-9999 (7) other bump:2.98714 Ang CE3(41) at -0.209275 4.21071 11.6046 in (null):W-9999 (5) and CE2(65) at 2.563 3.226 11.087 in (null):F-9999 (7) other bump:1.59809 Ang CZ3(44) at 1.10259 3.77168 11.4382 in (null):W-9999 (5) and CE2(65) at 2.563 3.226 11.087 in (null):F-9999 (7) other bump:3.14225 Ang NE1(42) at -2.05485 2.05885 9.44981 in (null):W-9999 (5) and CE1(64) at 1.069 1.914 9.757 in (null):F-9999 (7) other bump:0.665421 Ang CZ2(43) at 0.428457 2.06753 9.85144 in (null):W-9999 (5) and CE1(64) at 1.069 1.914 9.757 in (null):F-9999 (7) other bump:2.06257 Ang CE2(40) at -0.887668 2.51076 10.0207 in (null):W-9999 (5) and CE1(64) at 1.069 1.914 9.757 in (null):F-9999 (7) other bump:1.18655 Ang CH2(45) at 1.40887 2.71637 10.5623 in (null):W-9999 (5) and CE1(64) at 1.069 1.914 9.757 in (null):F-9999 (7) other bump:3.21284 Ang CE3(41) at -0.209275 4.21071 11.6046 in (null):W-9999 (5) and CE1(64) at 1.069 1.914 9.757 in (null):F-9999 (7) other bump:2.50568 Ang CZ3(44) at 1.10259 3.77168 11.4382 in (null):W-9999 (5) and CE1(64) at 1.069 1.914 9.757 in (null):F-9999 (7) other bump:1.98782 Ang CH2(45) at 1.40887 2.71637 10.5623 in (null):W-9999 (5) and CD2(63) at 2.655 2.166 12.01 in (null):F-9999 (7) other bump:2.30546 Ang CZ3(44) at 1.10259 3.77168 11.4382 in (null):W-9999 (5) and CD2(63) at 2.655 2.166 12.01 in (null):F-9999 (7) other bump:1.61677 Ang CZ2(43) at 0.428457 2.06753 9.85144 in (null):W-9999 (5) and CD1(62) at 1.169 0.889 10.674 in (null):F-9999 (7) other bump:2.69941 Ang CE2(40) at -0.887668 2.51076 10.0207 in (null):W-9999 (5) and CD1(62) at 1.169 0.889 10.674 in (null):F-9999 (7) other bump:1.84642 Ang CH2(45) at 1.40887 2.71637 10.5623 in (null):W-9999 (5) and CD1(62) at 1.169 0.889 10.674 in (null):F-9999 (7) other bump:2.98299 Ang CZ3(44) at 1.10259 3.77168 11.4382 in (null):W-9999 (5) and CD1(62) at 1.169 0.889 10.674 in (null):F-9999 (7) other bump:2.69942 Ang CZ2(43) at 0.428457 2.06753 9.85144 in (null):W-9999 (5) and CG(61) at 1.963 0.993 11.795 in (null):F-9999 (7) other bump:2.19009 Ang CH2(45) at 1.40887 2.71637 10.5623 in (null):W-9999 (5) and CG(61) at 1.963 0.993 11.795 in (null):F-9999 (7) other bump:2.93065 Ang CZ3(44) at 1.10259 3.77168 11.4382 in (null):W-9999 (5) and CG(61) at 1.963 0.993 11.795 in (null):F-9999 (7) other bump:2.86658 Ang C(1) at -13.381 14.897 9.463 in (null):G-9999 (0) and CD(11) at -12.7787 12.5077 10.9279 in (null):P-9999 (2) neighbor-bump: 2.33171 Ang CA(3) at -12.95 12.616 8.605 in (null):A-9999 (1) and CD(11) at -12.7787 12.5077 10.9279 in (null):P-9999 (2) neighbor-bump: 1.64353 Ang C(6) at -11.788 12.473 9.617 in (null):A-9999 (1) and CD(11) at -12.7787 12.5077 10.9279 in (null):P-9999 (2) other bump:2.14756 Ang O(0) at -13.307 14.574 10.676 in (null):G-9999 (0) and CD(11) at -12.7787 12.5077 10.9279 in (null):P-9999 (2) other bump:3.24062 Ang C(1) at -13.381 14.897 9.463 in (null):G-9999 (0) and CG(10) at -11.8627 13.2861 11.8297 in (null):P-9999 (2) neighbor-bump: 2.51369 Ang O(5) at -10.805 13.234 9.55 in (null):A-9999 (1) and CG(10) at -11.8627 13.2861 11.8297 in (null):P-9999 (2) neighbor-bump: 2.3586 Ang C(6) at -11.788 12.473 9.617 in (null):A-9999 (1) and CG(10) at -11.8627 13.2861 11.8297 in (null):P-9999 (2) other bump:2.25294 Ang O(0) at -13.307 14.574 10.676 in (null):G-9999 (0) and CG(10) at -11.8627 13.2861 11.8297 in (null):P-9999 (2) Number of specific fragments= 1 total=2519 # 1drtA.292.292 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 292 :APHHWHFIN 1drtA 293 :RWLHRVYIR Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.22207 Ang CD2(52) at -1.65615 -1.27192 16.2954 in (null):H-9999 (6) and CD1(74) at -1.054 -3.344 16.826 in (null):I-9999 (8) other bump:1.76886 Ang NE2(55) at -0.595715 -1.65467 17.081 in (null):H-9999 (6) and CD1(74) at -1.054 -3.344 16.826 in (null):I-9999 (8) other bump:2.7696 Ang CD2(52) at -1.65615 -1.27192 16.2954 in (null):H-9999 (6) and CG1(72) at -1.463 -3.919 15.504 in (null):I-9999 (8) other bump:2.89244 Ang NE2(55) at -0.595715 -1.65467 17.081 in (null):H-9999 (6) and CG1(72) at -1.463 -3.919 15.504 in (null):I-9999 (8) other bump:2.57338 Ang CE2(40) at -0.875991 2.78533 10.1125 in (null):W-9999 (5) and CZ(66) at 1.644 3.265 9.908 in (null):F-9999 (7) other bump:1.45731 Ang CZ2(43) at 0.464977 2.41105 9.97464 in (null):W-9999 (5) and CZ(66) at 1.644 3.265 9.908 in (null):F-9999 (7) other bump:2.95511 Ang CE3(41) at -0.327147 4.49924 11.7311 in (null):W-9999 (5) and CZ(66) at 1.644 3.265 9.908 in (null):F-9999 (7) other bump:1.99969 Ang CZ3(44) at 1.00928 4.12892 11.5961 in (null):W-9999 (5) and CZ(66) at 1.644 3.265 9.908 in (null):F-9999 (7) other bump:0.864463 Ang CH2(45) at 1.39193 3.10043 10.7184 in (null):W-9999 (5) and CZ(66) at 1.644 3.265 9.908 in (null):F-9999 (7) other bump:2.43219 Ang CZ2(43) at 0.464977 2.41105 9.97464 in (null):W-9999 (5) and CE2(65) at 2.409 3.39 11.06 in (null):F-9999 (7) other bump:3.02776 Ang CE3(41) at -0.327147 4.49924 11.7311 in (null):W-9999 (5) and CE2(65) at 2.409 3.39 11.06 in (null):F-9999 (7) other bump:1.6711 Ang CZ3(44) at 1.00928 4.12892 11.5961 in (null):W-9999 (5) and CE2(65) at 2.409 3.39 11.06 in (null):F-9999 (7) other bump:1.11131 Ang CH2(45) at 1.39193 3.10043 10.7184 in (null):W-9999 (5) and CE2(65) at 2.409 3.39 11.06 in (null):F-9999 (7) other bump:3.01187 Ang NE1(42) at -2.00312 2.28159 9.50569 in (null):W-9999 (5) and CE1(64) at 0.999 2.066 9.616 in (null):F-9999 (7) other bump:2.06871 Ang CE2(40) at -0.875991 2.78533 10.1125 in (null):W-9999 (5) and CE1(64) at 0.999 2.066 9.616 in (null):F-9999 (7) other bump:0.729975 Ang CZ2(43) at 0.464977 2.41105 9.97464 in (null):W-9999 (5) and CE1(64) at 0.999 2.066 9.616 in (null):F-9999 (7) other bump:2.85943 Ang CZ3(44) at 1.00928 4.12892 11.5961 in (null):W-9999 (5) and CE1(64) at 0.999 2.066 9.616 in (null):F-9999 (7) other bump:1.56193 Ang CH2(45) at 1.39193 3.10043 10.7184 in (null):W-9999 (5) and CE1(64) at 0.999 2.066 9.616 in (null):F-9999 (7) other bump:2.84263 Ang CZ2(43) at 0.464977 2.41105 9.97464 in (null):W-9999 (5) and CD2(63) at 2.528 2.298 11.927 in (null):F-9999 (7) other bump:2.40173 Ang CZ3(44) at 1.00928 4.12892 11.5961 in (null):W-9999 (5) and CD2(63) at 2.528 2.298 11.927 in (null):F-9999 (7) other bump:1.84265 Ang CH2(45) at 1.39193 3.10043 10.7184 in (null):W-9999 (5) and CD2(63) at 2.528 2.298 11.927 in (null):F-9999 (7) other bump:2.72061 Ang CE2(40) at -0.875991 2.78533 10.1125 in (null):W-9999 (5) and CD1(62) at 1.128 0.984 10.488 in (null):F-9999 (7) other bump:1.65518 Ang CZ2(43) at 0.464977 2.41105 9.97464 in (null):W-9999 (5) and CD1(62) at 1.128 0.984 10.488 in (null):F-9999 (7) other bump:2.14523 Ang CH2(45) at 1.39193 3.10043 10.7184 in (null):W-9999 (5) and CD1(62) at 1.128 0.984 10.488 in (null):F-9999 (7) other bump:2.57153 Ang CZ2(43) at 0.464977 2.41105 9.97464 in (null):W-9999 (5) and CG(61) at 1.891 1.081 11.651 in (null):F-9999 (7) other bump:3.17337 Ang CZ3(44) at 1.00928 4.12892 11.5961 in (null):W-9999 (5) and CG(61) at 1.891 1.081 11.651 in (null):F-9999 (7) other bump:2.27969 Ang CH2(45) at 1.39193 3.10043 10.7184 in (null):W-9999 (5) and CG(61) at 1.891 1.081 11.651 in (null):F-9999 (7) other bump:2.18588 Ang O(0) at -13.772 14.464 10.473 in (null):G-9999 (0) and CD(11) at -13.1666 12.433 11.0083 in (null):P-9999 (2) neighbor-bump: 1.86528 Ang C(6) at -12.01 12.455 9.545 in (null):A-9999 (1) and CD(11) at -13.1666 12.433 11.0083 in (null):P-9999 (2) other bump:2.39209 Ang O(0) at -13.772 14.464 10.473 in (null):G-9999 (0) and CG(10) at -12.2732 13.2561 11.8931 in (null):P-9999 (2) neighbor-bump: 2.49492 Ang C(6) at -12.01 12.455 9.545 in (null):A-9999 (1) and CG(10) at -12.2732 13.2561 11.8931 in (null):P-9999 (2) Number of specific fragments= 1 total=2520 # 1ds1A.292.292 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 292 :APHHWHFIN 1ds1A 293 :RWLHRVYIR Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15558 Ang CD2(52) at -1.61932 -1.07103 15.9254 in (null):H-9999 (6) and CD1(74) at -1.3 -3.115 16.531 in (null):I-9999 (8) other bump:1.86429 Ang NE2(55) at -0.512729 -1.42978 16.6567 in (null):H-9999 (6) and CD1(74) at -1.3 -3.115 16.531 in (null):I-9999 (8) other bump:2.70397 Ang CD2(52) at -1.61932 -1.07103 15.9254 in (null):H-9999 (6) and CG1(72) at -1.516 -3.648 15.113 in (null):I-9999 (8) other bump:2.88273 Ang NE2(55) at -0.512729 -1.42978 16.6567 in (null):H-9999 (6) and CG1(72) at -1.516 -3.648 15.113 in (null):I-9999 (8) neighbor-bump: 3.1867 Ang CD2(52) at -1.61932 -1.07103 15.9254 in (null):H-9999 (6) and C(68) at 0.94 -1.248 14.035 in (null):F-9999 (7) other bump:2.71089 Ang CE2(40) at -1.09452 3.20191 9.89685 in (null):W-9999 (5) and CZ(66) at 1.547 3.805 9.81 in (null):F-9999 (7) other bump:1.61615 Ang CZ2(43) at 0.248437 2.84602 9.73227 in (null):W-9999 (5) and CZ(66) at 1.547 3.805 9.81 in (null):F-9999 (7) other bump:0.799196 Ang CH2(45) at 1.17929 3.53891 10.4678 in (null):W-9999 (5) and CZ(66) at 1.547 3.805 9.81 in (null):F-9999 (7) other bump:2.91615 Ang CE3(41) at -0.539512 4.905 11.5248 in (null):W-9999 (5) and CZ(66) at 1.547 3.805 9.81 in (null):F-9999 (7) other bump:1.87915 Ang CZ3(44) at 0.798906 4.55297 11.3631 in (null):W-9999 (5) and CZ(66) at 1.547 3.805 9.81 in (null):F-9999 (7) other bump:2.63489 Ang CZ2(43) at 0.248437 2.84602 9.73227 in (null):W-9999 (5) and CE2(65) at 2.32 3.919 10.957 in (null):F-9999 (7) other bump:1.29808 Ang CH2(45) at 1.17929 3.53891 10.4678 in (null):W-9999 (5) and CE2(65) at 2.32 3.919 10.957 in (null):F-9999 (7) other bump:3.07756 Ang CE3(41) at -0.539512 4.905 11.5248 in (null):W-9999 (5) and CE2(65) at 2.32 3.919 10.957 in (null):F-9999 (7) other bump:1.69722 Ang CZ3(44) at 0.798906 4.55297 11.3631 in (null):W-9999 (5) and CE2(65) at 2.32 3.919 10.957 in (null):F-9999 (7) other bump:3.12613 Ang NE1(42) at -2.22548 2.69064 9.30358 in (null):W-9999 (5) and CE1(64) at 0.888 2.611 9.573 in (null):F-9999 (7) other bump:2.09391 Ang CE2(40) at -1.09452 3.20191 9.89685 in (null):W-9999 (5) and CE1(64) at 0.888 2.611 9.573 in (null):F-9999 (7) other bump:0.699743 Ang CZ2(43) at 0.248437 2.84602 9.73227 in (null):W-9999 (5) and CE1(64) at 0.888 2.611 9.573 in (null):F-9999 (7) other bump:1.32157 Ang CH2(45) at 1.17929 3.53891 10.4678 in (null):W-9999 (5) and CE1(64) at 0.888 2.611 9.573 in (null):F-9999 (7) other bump:3.33311 Ang CE3(41) at -0.539512 4.905 11.5248 in (null):W-9999 (5) and CE1(64) at 0.888 2.611 9.573 in (null):F-9999 (7) other bump:2.64266 Ang CZ3(44) at 0.798906 4.55297 11.3631 in (null):W-9999 (5) and CE1(64) at 0.888 2.611 9.573 in (null):F-9999 (7) other bump:3.01404 Ang CZ2(43) at 0.248437 2.84602 9.73227 in (null):W-9999 (5) and CD2(63) at 2.399 2.857 11.844 in (null):F-9999 (7) other bump:1.96128 Ang CH2(45) at 1.17929 3.53891 10.4678 in (null):W-9999 (5) and CD2(63) at 2.399 2.857 11.844 in (null):F-9999 (7) other bump:2.38073 Ang CZ3(44) at 0.798906 4.55297 11.3631 in (null):W-9999 (5) and CD2(63) at 2.399 2.857 11.844 in (null):F-9999 (7) other bump:2.72794 Ang CE2(40) at -1.09452 3.20191 9.89685 in (null):W-9999 (5) and CD1(62) at 1.02 1.573 10.46 in (null):F-9999 (7) other bump:1.65695 Ang CZ2(43) at 0.248437 2.84602 9.73227 in (null):W-9999 (5) and CD1(62) at 1.02 1.573 10.46 in (null):F-9999 (7) other bump:1.97237 Ang CH2(45) at 1.17929 3.53891 10.4678 in (null):W-9999 (5) and CD1(62) at 1.02 1.573 10.46 in (null):F-9999 (7) other bump:3.12165 Ang CZ3(44) at 0.798906 4.55297 11.3631 in (null):W-9999 (5) and CD1(62) at 1.02 1.573 10.46 in (null):F-9999 (7) other bump:2.68731 Ang CZ2(43) at 0.248437 2.84602 9.73227 in (null):W-9999 (5) and CG(61) at 1.763 1.651 11.603 in (null):F-9999 (7) other bump:2.27895 Ang CH2(45) at 1.17929 3.53891 10.4678 in (null):W-9999 (5) and CG(61) at 1.763 1.651 11.603 in (null):F-9999 (7) other bump:3.06732 Ang CZ3(44) at 0.798906 4.55297 11.3631 in (null):W-9999 (5) and CG(61) at 1.763 1.651 11.603 in (null):F-9999 (7) other bump:2.90112 Ang C(1) at -14.169 15.098 9.536 in (null):G-9999 (0) and CD(11) at -13.5269 12.6518 10.9575 in (null):P-9999 (2) neighbor-bump: 2.38178 Ang CA(3) at -13.575 12.889 8.588 in (null):A-9999 (1) and CD(11) at -13.5269 12.6518 10.9575 in (null):P-9999 (2) neighbor-bump: 1.75969 Ang C(6) at -12.423 12.724 9.589 in (null):A-9999 (1) and CD(11) at -13.5269 12.6518 10.9575 in (null):P-9999 (2) other bump:2.15117 Ang O(0) at -14.041 14.725 10.702 in (null):G-9999 (0) and CD(11) at -13.5269 12.6518 10.9575 in (null):P-9999 (2) other bump:3.27865 Ang C(1) at -14.169 15.098 9.536 in (null):G-9999 (0) and CG(10) at -12.6686 13.4219 11.9212 in (null):P-9999 (2) neighbor-bump: 2.44675 Ang C(6) at -12.423 12.724 9.589 in (null):A-9999 (1) and CG(10) at -12.6686 13.4219 11.9212 in (null):P-9999 (2) other bump:2.25119 Ang O(0) at -14.041 14.725 10.702 in (null):G-9999 (0) and CG(10) at -12.6686 13.4219 11.9212 in (null):P-9999 (2) Number of specific fragments= 1 total=2521 # 2bnh.292.292 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 292 :APHHWHFIN 2bnh 292 :GDEGARLLC Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52866 Ang NE2(21) at -2.60249 58.5508 30.9751 in (null):H-9999 (3) and CZ(66) at -0.86129 60.2876 30.387 in (null):F-9999 (7) other bump:2.61235 Ang CE1(20) at -3.34346 59.4732 30.3846 in (null):H-9999 (3) and CZ(66) at -0.86129 60.2876 30.387 in (null):F-9999 (7) other bump:2.27041 Ang NE2(21) at -2.60249 58.5508 30.9751 in (null):H-9999 (3) and CE1(64) at -0.439561 58.9779 30.4328 in (null):F-9999 (7) other bump:2.94623 Ang CE1(20) at -3.34346 59.4732 30.3846 in (null):H-9999 (3) and CE1(64) at -0.439561 58.9779 30.4328 in (null):F-9999 (7) other bump:2.65037 Ang O(0) at -3.085 52.148 28.33 in (null):G-9999 (0) and CB(26) at -0.992264 53.3897 27.2797 in (null):H-9999 (4) other bump:3.11494 Ang C(1) at -2.964 51.035 27.8 in (null):G-9999 (0) and CB(26) at -0.992264 53.3897 27.2797 in (null):H-9999 (4) neighbor-bump: 1.90091 Ang CB(4) at -6.32082 51.1498 26.5362 in (null):A-9999 (1) and CD(11) at -7.12979 52.4781 25.4432 in (null):P-9999 (2) self-bump: 1.38899 Ang N(7) at -5.915 53.147 25.365 in (null):P-9999 (2) and CD(11) at -7.12979 52.4781 25.4432 in (null):P-9999 (2) neighbor-bump: 2.35058 Ang CB(4) at -6.32082 51.1498 26.5362 in (null):A-9999 (1) and N(7) at -5.915 53.147 25.365 in (null):P-9999 (2) self-bump: 2.16079 Ang CB(4) at -6.32082 51.1498 26.5362 in (null):A-9999 (1) and C(6) at -4.825 52.526 25.803 in (null):A-9999 (1) self-bump: 1.26977 Ang CA(3) at -5.06 51.272 26.624 in (null):A-9999 (1) and CB(4) at -6.32082 51.1498 26.5362 in (null):A-9999 (1) Number of specific fragments= 1 total=2522 # 1frb.292.292 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 292 :APHHWHFIN 1frb 293 :RNWRACLLP Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22365 Ang C(33) at 86.786 0.051 21.358 in (null):H-9999 (4) and CZ(66) at 85.268 2.86324 21.781 in (null):F-9999 (7) other bump:2.81258 Ang CA(25) at 87.322 1.045 22.402 in (null):H-9999 (4) and CZ(66) at 85.268 2.86324 21.781 in (null):F-9999 (7) other bump:1.68703 Ang CB(26) at 86.1491 1.93246 22.8779 in (null):H-9999 (4) and CZ(66) at 85.268 2.86324 21.781 in (null):F-9999 (7) other bump:2.35482 Ang CG(27) at 86.5921 3.10676 23.713 in (null):H-9999 (4) and CZ(66) at 85.268 2.86324 21.781 in (null):F-9999 (7) other bump:2.64115 Ang ND1(29) at 87.0123 4.289 23.1595 in (null):H-9999 (4) and CZ(66) at 85.268 2.86324 21.781 in (null):F-9999 (7) other bump:2.57154 Ang CB(26) at 86.1491 1.93246 22.8779 in (null):H-9999 (4) and CE2(65) at 84.1481 3.46186 22.3587 in (null):F-9999 (7) other bump:2.81659 Ang CG(27) at 86.5921 3.10676 23.713 in (null):H-9999 (4) and CE2(65) at 84.1481 3.46186 22.3587 in (null):F-9999 (7) other bump:3.08689 Ang ND1(29) at 87.0123 4.289 23.1595 in (null):H-9999 (4) and CE2(65) at 84.1481 3.46186 22.3587 in (null):F-9999 (7) other bump:2.01042 Ang O(32) at 86.253 0.442 20.305 in (null):H-9999 (4) and CE1(64) at 85.1229 2.07256 20.6304 in (null):F-9999 (7) other bump:2.71702 Ang C(33) at 86.786 0.051 21.358 in (null):H-9999 (4) and CE1(64) at 85.1229 2.07256 20.6304 in (null):F-9999 (7) other bump:3.00512 Ang CA(25) at 87.322 1.045 22.402 in (null):H-9999 (4) and CE1(64) at 85.1229 2.07256 20.6304 in (null):F-9999 (7) other bump:2.47476 Ang CB(26) at 86.1491 1.93246 22.8779 in (null):H-9999 (4) and CE1(64) at 85.1229 2.07256 20.6304 in (null):F-9999 (7) neighbor-bump: 2.52247 Ang CE3(41) at 84.1068 -5.62963 21.5511 in (null):W-9999 (5) and NE2(55) at 83.3168 -6.15966 19.2148 in (null):H-9999 (6) neighbor-bump: 1.43505 Ang CE3(41) at 84.1068 -5.62963 21.5511 in (null):W-9999 (5) and CE1(54) at 84.1573 -6.14404 20.2123 in (null):H-9999 (6) neighbor-bump: 2.63571 Ang CD2(39) at 84.9665 -4.97192 22.4301 in (null):W-9999 (5) and CE1(54) at 84.1573 -6.14404 20.2123 in (null):H-9999 (6) neighbor-bump: 2.17781 Ang CZ3(44) at 82.9877 -6.28817 22.0437 in (null):W-9999 (5) and CE1(54) at 84.1573 -6.14404 20.2123 in (null):H-9999 (6) neighbor-bump: 0.727999 Ang CE3(41) at 84.1068 -5.62963 21.5511 in (null):W-9999 (5) and ND1(53) at 83.7962 -5.19808 21.0537 in (null):H-9999 (6) neighbor-bump: 1.82069 Ang CD2(39) at 84.9665 -4.97192 22.4301 in (null):W-9999 (5) and ND1(53) at 83.7962 -5.19808 21.0537 in (null):H-9999 (6) neighbor-bump: 2.88601 Ang CE2(40) at 84.6871 -4.98924 23.7908 in (null):W-9999 (5) and ND1(53) at 83.7962 -5.19808 21.0537 in (null):H-9999 (6) neighbor-bump: 3.27165 Ang CZ2(43) at 83.5642 -5.64987 24.2857 in (null):W-9999 (5) and ND1(53) at 83.7962 -5.19808 21.0537 in (null):H-9999 (6) neighbor-bump: 1.67991 Ang CZ3(44) at 82.9877 -6.28817 22.0437 in (null):W-9999 (5) and ND1(53) at 83.7962 -5.19808 21.0537 in (null):H-9999 (6) neighbor-bump: 2.80496 Ang CH2(45) at 82.7232 -6.29571 23.4014 in (null):W-9999 (5) and ND1(53) at 83.7962 -5.19808 21.0537 in (null):H-9999 (6) neighbor-bump: 2.86718 Ang CG(37) at 86.1299 -4.20124 22.3883 in (null):W-9999 (5) and ND1(53) at 83.7962 -5.19808 21.0537 in (null):H-9999 (6) neighbor-bump: 2.81146 Ang CE3(41) at 84.1068 -5.62963 21.5511 in (null):W-9999 (5) and CD2(52) at 82.3655 -5.2067 19.3846 in (null):H-9999 (6) neighbor-bump: 2.93725 Ang CZ3(44) at 82.9877 -6.28817 22.0437 in (null):W-9999 (5) and CD2(52) at 82.3655 -5.2067 19.3846 in (null):H-9999 (6) neighbor-bump: 2.06435 Ang CE3(41) at 84.1068 -5.62963 21.5511 in (null):W-9999 (5) and CG(51) at 82.6442 -4.57823 20.5426 in (null):H-9999 (6) neighbor-bump: 2.3011 Ang CZ3(44) at 82.9877 -6.28817 22.0437 in (null):W-9999 (5) and CG(51) at 82.6442 -4.57823 20.5426 in (null):H-9999 (6) neighbor-bump: 3.10313 Ang CE3(41) at 84.1068 -5.62963 21.5511 in (null):W-9999 (5) and CB(50) at 81.9386 -3.43091 21.2443 in (null):H-9999 (6) neighbor-bump: 3.14699 Ang CZ3(44) at 82.9877 -6.28817 22.0437 in (null):W-9999 (5) and CB(50) at 81.9386 -3.43091 21.2443 in (null):H-9999 (6) neighbor-bump: 2.21293 Ang O(5) at 93.163 5.378 20.371 in (null):A-9999 (1) and CD(11) at 94.067 6.41086 22.1068 in (null):P-9999 (2) self-bump: 2.22295 Ang CA(8) at 92.309 5.382 22.997 in (null):P-9999 (2) and CD(11) at 94.067 6.41086 22.1068 in (null):P-9999 (2) neighbor-bump: 1.73521 Ang C(6) at 93.931 4.925 21.221 in (null):A-9999 (1) and CD(11) at 94.067 6.41086 22.1068 in (null):P-9999 (2) Number of specific fragments= 1 total=2523 # 1fnf.292.296 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 292 :APHHWHFIN 1fnf 1438 :DAPAVTVRY Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81793 Ang NE1(42) at 14.0233 21.6013 -37.0819 in (null):W-9999 (5) and CZ(66) at 14.3949 20.6386 -39.7041 in (null):F-9999 (7) other bump:2.96005 Ang N(14) at 14.47 17.918 -40.868 in (null):H-9999 (3) and CZ(66) at 14.3949 20.6386 -39.7041 in (null):F-9999 (7) other bump:2.68521 Ang CB(16) at 15.1553 18.3373 -38.5482 in (null):H-9999 (3) and CZ(66) at 14.3949 20.6386 -39.7041 in (null):F-9999 (7) other bump:2.85043 Ang CG(17) at 16.4983 18.9327 -38.815 in (null):H-9999 (3) and CZ(66) at 14.3949 20.6386 -39.7041 in (null):F-9999 (7) other bump:2.58933 Ang CD2(18) at 16.8868 19.9385 -39.634 in (null):H-9999 (3) and CZ(66) at 14.3949 20.6386 -39.7041 in (null):F-9999 (7) other bump:2.68325 Ang CE2(40) at 14.8013 20.47 -37.0572 in (null):W-9999 (5) and CZ(66) at 14.3949 20.6386 -39.7041 in (null):F-9999 (7) other bump:2.72955 Ang CZ2(43) at 16.0715 20.2544 -37.5847 in (null):W-9999 (5) and CZ(66) at 14.3949 20.6386 -39.7041 in (null):F-9999 (7) other bump:2.77428 Ang NE1(42) at 14.0233 21.6013 -37.0819 in (null):W-9999 (5) and CE2(65) at 14.6529 22.0103 -39.7527 in (null):F-9999 (7) other bump:3.12982 Ang CZ2(43) at 16.0715 20.2544 -37.5847 in (null):W-9999 (5) and CE2(65) at 14.6529 22.0103 -39.7527 in (null):F-9999 (7) other bump:2.79585 Ang N(14) at 14.47 17.918 -40.868 in (null):H-9999 (3) and CE1(64) at 13.092 20.1684 -39.9441 in (null):F-9999 (7) other bump:3.09167 Ang CB(16) at 15.1553 18.3373 -38.5482 in (null):H-9999 (3) and CE1(64) at 13.092 20.1684 -39.9441 in (null):F-9999 (7) other bump:1.91816 Ang CB(16) at 15.1553 18.3373 -38.5482 in (null):H-9999 (3) and CH2(45) at 16.597 18.9574 -37.4454 in (null):W-9999 (5) other bump:1.37339 Ang CG(17) at 16.4983 18.9327 -38.815 in (null):H-9999 (3) and CH2(45) at 16.597 18.9574 -37.4454 in (null):W-9999 (5) other bump:1.4055 Ang ND1(19) at 17.6573 18.4481 -38.2146 in (null):H-9999 (3) and CH2(45) at 16.597 18.9574 -37.4454 in (null):W-9999 (5) other bump:2.41595 Ang CD2(18) at 16.8868 19.9385 -39.634 in (null):H-9999 (3) and CH2(45) at 16.597 18.9574 -37.4454 in (null):W-9999 (5) other bump:2.42685 Ang CE1(20) at 18.6925 19.1738 -38.6502 in (null):H-9999 (3) and CH2(45) at 16.597 18.9574 -37.4454 in (null):W-9999 (5) other bump:2.85779 Ang NE2(21) at 18.2596 20.072 -39.4851 in (null):H-9999 (3) and CH2(45) at 16.597 18.9574 -37.4454 in (null):W-9999 (5) other bump:3.17072 Ang CA(15) at 14.712 17.239 -39.598 in (null):H-9999 (3) and CZ3(44) at 15.8721 17.9983 -36.7465 in (null):W-9999 (5) other bump:1.96849 Ang CB(16) at 15.1553 18.3373 -38.5482 in (null):H-9999 (3) and CZ3(44) at 15.8721 17.9983 -36.7465 in (null):W-9999 (5) other bump:2.35451 Ang CG(17) at 16.4983 18.9327 -38.815 in (null):H-9999 (3) and CZ3(44) at 15.8721 17.9983 -36.7465 in (null):W-9999 (5) other bump:2.35466 Ang ND1(19) at 17.6573 18.4481 -38.2146 in (null):H-9999 (3) and CZ3(44) at 15.8721 17.9983 -36.7465 in (null):W-9999 (5) other bump:2.33305 Ang CB(16) at 15.1553 18.3373 -38.5482 in (null):H-9999 (3) and CZ2(43) at 16.0715 20.2544 -37.5847 in (null):W-9999 (5) other bump:1.85548 Ang CG(17) at 16.4983 18.9327 -38.815 in (null):H-9999 (3) and CZ2(43) at 16.0715 20.2544 -37.5847 in (null):W-9999 (5) other bump:2.48489 Ang ND1(19) at 17.6573 18.4481 -38.2146 in (null):H-9999 (3) and CZ2(43) at 16.0715 20.2544 -37.5847 in (null):W-9999 (5) other bump:2.22812 Ang CD2(18) at 16.8868 19.9385 -39.634 in (null):H-9999 (3) and CZ2(43) at 16.0715 20.2544 -37.5847 in (null):W-9999 (5) other bump:3.02868 Ang CE1(20) at 18.6925 19.1738 -38.6502 in (null):H-9999 (3) and CZ2(43) at 16.0715 20.2544 -37.5847 in (null):W-9999 (5) other bump:2.90388 Ang NE2(21) at 18.2596 20.072 -39.4851 in (null):H-9999 (3) and CZ2(43) at 16.0715 20.2544 -37.5847 in (null):W-9999 (5) other bump:2.43094 Ang CB(16) at 15.1553 18.3373 -38.5482 in (null):H-9999 (3) and CE3(41) at 14.6051 18.213 -36.1836 in (null):W-9999 (5) other bump:2.62621 Ang CB(16) at 15.1553 18.3373 -38.5482 in (null):H-9999 (3) and CE2(40) at 14.8013 20.47 -37.0572 in (null):W-9999 (5) other bump:2.88671 Ang CG(17) at 16.4983 18.9327 -38.815 in (null):H-9999 (3) and CE2(40) at 14.8013 20.47 -37.0572 in (null):W-9999 (5) other bump:2.69385 Ang CB(16) at 15.1553 18.3373 -38.5482 in (null):H-9999 (3) and CD2(39) at 14.0412 19.4861 -36.3812 in (null):W-9999 (5) Number of specific fragments= 1 total=2524 # 1dryA.293.293 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 293 :PHHWHFINM 1dryA 294 :WLHRVYIRT Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04301 Ang CD2(47) at -1.54022 -1.4939 16.2341 in (null):H-9999 (5) and CD1(69) at -1.209 -3.383 16.938 in (null):I-9999 (7) other bump:1.68892 Ang NE2(50) at -0.458257 -1.87109 16.9925 in (null):H-9999 (5) and CD1(69) at -1.209 -3.383 16.938 in (null):I-9999 (7) other bump:2.57658 Ang CD2(47) at -1.54022 -1.4939 16.2341 in (null):H-9999 (5) and CG1(67) at -1.477 -3.962 15.497 in (null):I-9999 (7) other bump:2.76517 Ang NE2(50) at -0.458257 -1.87109 16.9925 in (null):H-9999 (5) and CG1(67) at -1.477 -3.962 15.497 in (null):I-9999 (7) other bump:2.72978 Ang CE2(35) at -0.887668 2.51076 10.0207 in (null):W-9999 (4) and CZ(61) at 1.783 3.074 9.976 in (null):F-9999 (6) other bump:1.69212 Ang CZ2(38) at 0.428457 2.06753 9.85144 in (null):W-9999 (4) and CZ(61) at 1.783 3.074 9.976 in (null):F-9999 (6) other bump:0.782096 Ang CH2(40) at 1.40887 2.71637 10.5623 in (null):W-9999 (4) and CZ(61) at 1.783 3.074 9.976 in (null):F-9999 (6) other bump:2.81309 Ang CE3(36) at -0.209275 4.21071 11.6046 in (null):W-9999 (4) and CZ(61) at 1.783 3.074 9.976 in (null):F-9999 (6) other bump:1.75717 Ang CZ3(39) at 1.10259 3.77168 11.4382 in (null):W-9999 (4) and CZ(61) at 1.783 3.074 9.976 in (null):F-9999 (6) other bump:2.72488 Ang CZ2(38) at 0.428457 2.06753 9.85144 in (null):W-9999 (4) and CE2(60) at 2.563 3.226 11.087 in (null):F-9999 (6) other bump:1.36638 Ang CH2(40) at 1.40887 2.71637 10.5623 in (null):W-9999 (4) and CE2(60) at 2.563 3.226 11.087 in (null):F-9999 (6) other bump:2.98714 Ang CE3(36) at -0.209275 4.21071 11.6046 in (null):W-9999 (4) and CE2(60) at 2.563 3.226 11.087 in (null):F-9999 (6) other bump:1.59809 Ang CZ3(39) at 1.10259 3.77168 11.4382 in (null):W-9999 (4) and CE2(60) at 2.563 3.226 11.087 in (null):F-9999 (6) other bump:3.14225 Ang NE1(37) at -2.05485 2.05885 9.44981 in (null):W-9999 (4) and CE1(59) at 1.069 1.914 9.757 in (null):F-9999 (6) other bump:2.06257 Ang CE2(35) at -0.887668 2.51076 10.0207 in (null):W-9999 (4) and CE1(59) at 1.069 1.914 9.757 in (null):F-9999 (6) other bump:0.665421 Ang CZ2(38) at 0.428457 2.06753 9.85144 in (null):W-9999 (4) and CE1(59) at 1.069 1.914 9.757 in (null):F-9999 (6) other bump:1.18655 Ang CH2(40) at 1.40887 2.71637 10.5623 in (null):W-9999 (4) and CE1(59) at 1.069 1.914 9.757 in (null):F-9999 (6) other bump:3.21284 Ang CE3(36) at -0.209275 4.21071 11.6046 in (null):W-9999 (4) and CE1(59) at 1.069 1.914 9.757 in (null):F-9999 (6) other bump:2.50568 Ang CZ3(39) at 1.10259 3.77168 11.4382 in (null):W-9999 (4) and CE1(59) at 1.069 1.914 9.757 in (null):F-9999 (6) other bump:1.98782 Ang CH2(40) at 1.40887 2.71637 10.5623 in (null):W-9999 (4) and CD2(58) at 2.655 2.166 12.01 in (null):F-9999 (6) other bump:2.30546 Ang CZ3(39) at 1.10259 3.77168 11.4382 in (null):W-9999 (4) and CD2(58) at 2.655 2.166 12.01 in (null):F-9999 (6) other bump:2.69941 Ang CE2(35) at -0.887668 2.51076 10.0207 in (null):W-9999 (4) and CD1(57) at 1.169 0.889 10.674 in (null):F-9999 (6) other bump:1.61677 Ang CZ2(38) at 0.428457 2.06753 9.85144 in (null):W-9999 (4) and CD1(57) at 1.169 0.889 10.674 in (null):F-9999 (6) other bump:1.84642 Ang CH2(40) at 1.40887 2.71637 10.5623 in (null):W-9999 (4) and CD1(57) at 1.169 0.889 10.674 in (null):F-9999 (6) other bump:2.98299 Ang CZ3(39) at 1.10259 3.77168 11.4382 in (null):W-9999 (4) and CD1(57) at 1.169 0.889 10.674 in (null):F-9999 (6) other bump:2.69942 Ang CZ2(38) at 0.428457 2.06753 9.85144 in (null):W-9999 (4) and CG(56) at 1.963 0.993 11.795 in (null):F-9999 (6) other bump:2.19009 Ang CH2(40) at 1.40887 2.71637 10.5623 in (null):W-9999 (4) and CG(56) at 1.963 0.993 11.795 in (null):F-9999 (6) other bump:2.93065 Ang CZ3(39) at 1.10259 3.77168 11.4382 in (null):W-9999 (4) and CG(56) at 1.963 0.993 11.795 in (null):F-9999 (6) neighbor-bump: 1.64353 Ang C(1) at -11.788 12.473 9.617 in (null):G-9999 (0) and CD(6) at -12.7787 12.5077 10.9279 in (null):P-9999 (1) neighbor-bump: 2.51369 Ang O(0) at -10.805 13.234 9.55 in (null):G-9999 (0) and CG(5) at -11.8627 13.2861 11.8297 in (null):P-9999 (1) neighbor-bump: 2.3586 Ang C(1) at -11.788 12.473 9.617 in (null):G-9999 (0) and CG(5) at -11.8627 13.2861 11.8297 in (null):P-9999 (1) Number of specific fragments= 1 total=2525 # 1drtA.293.293 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 293 :PHHWHFINM 1drtA 294 :WLHRVYIRT Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.22207 Ang CD2(47) at -1.65615 -1.27192 16.2954 in (null):H-9999 (5) and CD1(69) at -1.054 -3.344 16.826 in (null):I-9999 (7) other bump:1.76886 Ang NE2(50) at -0.595715 -1.65467 17.081 in (null):H-9999 (5) and CD1(69) at -1.054 -3.344 16.826 in (null):I-9999 (7) other bump:2.7696 Ang CD2(47) at -1.65615 -1.27192 16.2954 in (null):H-9999 (5) and CG1(67) at -1.463 -3.919 15.504 in (null):I-9999 (7) other bump:2.89244 Ang NE2(50) at -0.595715 -1.65467 17.081 in (null):H-9999 (5) and CG1(67) at -1.463 -3.919 15.504 in (null):I-9999 (7) other bump:2.57338 Ang CE2(35) at -0.875991 2.78533 10.1125 in (null):W-9999 (4) and CZ(61) at 1.644 3.265 9.908 in (null):F-9999 (6) other bump:1.45731 Ang CZ2(38) at 0.464977 2.41105 9.97464 in (null):W-9999 (4) and CZ(61) at 1.644 3.265 9.908 in (null):F-9999 (6) other bump:0.864463 Ang CH2(40) at 1.39193 3.10043 10.7184 in (null):W-9999 (4) and CZ(61) at 1.644 3.265 9.908 in (null):F-9999 (6) other bump:1.99969 Ang CZ3(39) at 1.00928 4.12892 11.5961 in (null):W-9999 (4) and CZ(61) at 1.644 3.265 9.908 in (null):F-9999 (6) other bump:2.95511 Ang CE3(36) at -0.327147 4.49924 11.7311 in (null):W-9999 (4) and CZ(61) at 1.644 3.265 9.908 in (null):F-9999 (6) other bump:2.43219 Ang CZ2(38) at 0.464977 2.41105 9.97464 in (null):W-9999 (4) and CE2(60) at 2.409 3.39 11.06 in (null):F-9999 (6) other bump:1.11131 Ang CH2(40) at 1.39193 3.10043 10.7184 in (null):W-9999 (4) and CE2(60) at 2.409 3.39 11.06 in (null):F-9999 (6) other bump:1.6711 Ang CZ3(39) at 1.00928 4.12892 11.5961 in (null):W-9999 (4) and CE2(60) at 2.409 3.39 11.06 in (null):F-9999 (6) other bump:3.02776 Ang CE3(36) at -0.327147 4.49924 11.7311 in (null):W-9999 (4) and CE2(60) at 2.409 3.39 11.06 in (null):F-9999 (6) other bump:3.01187 Ang NE1(37) at -2.00312 2.28159 9.50569 in (null):W-9999 (4) and CE1(59) at 0.999 2.066 9.616 in (null):F-9999 (6) other bump:2.06871 Ang CE2(35) at -0.875991 2.78533 10.1125 in (null):W-9999 (4) and CE1(59) at 0.999 2.066 9.616 in (null):F-9999 (6) other bump:0.729975 Ang CZ2(38) at 0.464977 2.41105 9.97464 in (null):W-9999 (4) and CE1(59) at 0.999 2.066 9.616 in (null):F-9999 (6) other bump:1.56193 Ang CH2(40) at 1.39193 3.10043 10.7184 in (null):W-9999 (4) and CE1(59) at 0.999 2.066 9.616 in (null):F-9999 (6) other bump:2.85943 Ang CZ3(39) at 1.00928 4.12892 11.5961 in (null):W-9999 (4) and CE1(59) at 0.999 2.066 9.616 in (null):F-9999 (6) other bump:2.84263 Ang CZ2(38) at 0.464977 2.41105 9.97464 in (null):W-9999 (4) and CD2(58) at 2.528 2.298 11.927 in (null):F-9999 (6) other bump:1.84265 Ang CH2(40) at 1.39193 3.10043 10.7184 in (null):W-9999 (4) and CD2(58) at 2.528 2.298 11.927 in (null):F-9999 (6) other bump:2.40173 Ang CZ3(39) at 1.00928 4.12892 11.5961 in (null):W-9999 (4) and CD2(58) at 2.528 2.298 11.927 in (null):F-9999 (6) other bump:2.72061 Ang CE2(35) at -0.875991 2.78533 10.1125 in (null):W-9999 (4) and CD1(57) at 1.128 0.984 10.488 in (null):F-9999 (6) other bump:1.65518 Ang CZ2(38) at 0.464977 2.41105 9.97464 in (null):W-9999 (4) and CD1(57) at 1.128 0.984 10.488 in (null):F-9999 (6) other bump:2.14523 Ang CH2(40) at 1.39193 3.10043 10.7184 in (null):W-9999 (4) and CD1(57) at 1.128 0.984 10.488 in (null):F-9999 (6) other bump:2.57153 Ang CZ2(38) at 0.464977 2.41105 9.97464 in (null):W-9999 (4) and CG(56) at 1.891 1.081 11.651 in (null):F-9999 (6) other bump:2.27969 Ang CH2(40) at 1.39193 3.10043 10.7184 in (null):W-9999 (4) and CG(56) at 1.891 1.081 11.651 in (null):F-9999 (6) other bump:3.17337 Ang CZ3(39) at 1.00928 4.12892 11.5961 in (null):W-9999 (4) and CG(56) at 1.891 1.081 11.651 in (null):F-9999 (6) neighbor-bump: 1.86528 Ang C(1) at -12.01 12.455 9.545 in (null):G-9999 (0) and CD(6) at -13.1666 12.433 11.0083 in (null):P-9999 (1) neighbor-bump: 2.49492 Ang C(1) at -12.01 12.455 9.545 in (null):G-9999 (0) and CG(5) at -12.2732 13.2561 11.8931 in (null):P-9999 (1) Number of specific fragments= 1 total=2526 # 1ds1A.293.293 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 293 :PHHWHFINM 1ds1A 294 :WLHRVYIRT Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15558 Ang CD2(47) at -1.61932 -1.07103 15.9254 in (null):H-9999 (5) and CD1(69) at -1.3 -3.115 16.531 in (null):I-9999 (7) other bump:1.86429 Ang NE2(50) at -0.512729 -1.42978 16.6567 in (null):H-9999 (5) and CD1(69) at -1.3 -3.115 16.531 in (null):I-9999 (7) other bump:2.70397 Ang CD2(47) at -1.61932 -1.07103 15.9254 in (null):H-9999 (5) and CG1(67) at -1.516 -3.648 15.113 in (null):I-9999 (7) other bump:2.88273 Ang NE2(50) at -0.512729 -1.42978 16.6567 in (null):H-9999 (5) and CG1(67) at -1.516 -3.648 15.113 in (null):I-9999 (7) neighbor-bump: 3.1867 Ang CD2(47) at -1.61932 -1.07103 15.9254 in (null):H-9999 (5) and C(63) at 0.94 -1.248 14.035 in (null):F-9999 (6) other bump:2.71089 Ang CE2(35) at -1.09452 3.20191 9.89685 in (null):W-9999 (4) and CZ(61) at 1.547 3.805 9.81 in (null):F-9999 (6) other bump:1.61615 Ang CZ2(38) at 0.248437 2.84602 9.73227 in (null):W-9999 (4) and CZ(61) at 1.547 3.805 9.81 in (null):F-9999 (6) other bump:0.799196 Ang CH2(40) at 1.17929 3.53891 10.4678 in (null):W-9999 (4) and CZ(61) at 1.547 3.805 9.81 in (null):F-9999 (6) other bump:1.87915 Ang CZ3(39) at 0.798906 4.55297 11.3631 in (null):W-9999 (4) and CZ(61) at 1.547 3.805 9.81 in (null):F-9999 (6) other bump:2.91615 Ang CE3(36) at -0.539512 4.905 11.5248 in (null):W-9999 (4) and CZ(61) at 1.547 3.805 9.81 in (null):F-9999 (6) other bump:2.63489 Ang CZ2(38) at 0.248437 2.84602 9.73227 in (null):W-9999 (4) and CE2(60) at 2.32 3.919 10.957 in (null):F-9999 (6) other bump:1.29808 Ang CH2(40) at 1.17929 3.53891 10.4678 in (null):W-9999 (4) and CE2(60) at 2.32 3.919 10.957 in (null):F-9999 (6) other bump:1.69722 Ang CZ3(39) at 0.798906 4.55297 11.3631 in (null):W-9999 (4) and CE2(60) at 2.32 3.919 10.957 in (null):F-9999 (6) other bump:3.07756 Ang CE3(36) at -0.539512 4.905 11.5248 in (null):W-9999 (4) and CE2(60) at 2.32 3.919 10.957 in (null):F-9999 (6) other bump:3.12613 Ang NE1(37) at -2.22548 2.69064 9.30358 in (null):W-9999 (4) and CE1(59) at 0.888 2.611 9.573 in (null):F-9999 (6) other bump:2.09391 Ang CE2(35) at -1.09452 3.20191 9.89685 in (null):W-9999 (4) and CE1(59) at 0.888 2.611 9.573 in (null):F-9999 (6) other bump:0.699743 Ang CZ2(38) at 0.248437 2.84602 9.73227 in (null):W-9999 (4) and CE1(59) at 0.888 2.611 9.573 in (null):F-9999 (6) other bump:1.32157 Ang CH2(40) at 1.17929 3.53891 10.4678 in (null):W-9999 (4) and CE1(59) at 0.888 2.611 9.573 in (null):F-9999 (6) other bump:2.64266 Ang CZ3(39) at 0.798906 4.55297 11.3631 in (null):W-9999 (4) and CE1(59) at 0.888 2.611 9.573 in (null):F-9999 (6) other bump:3.33311 Ang CE3(36) at -0.539512 4.905 11.5248 in (null):W-9999 (4) and CE1(59) at 0.888 2.611 9.573 in (null):F-9999 (6) other bump:3.01404 Ang CZ2(38) at 0.248437 2.84602 9.73227 in (null):W-9999 (4) and CD2(58) at 2.399 2.857 11.844 in (null):F-9999 (6) other bump:1.96128 Ang CH2(40) at 1.17929 3.53891 10.4678 in (null):W-9999 (4) and CD2(58) at 2.399 2.857 11.844 in (null):F-9999 (6) other bump:2.38073 Ang CZ3(39) at 0.798906 4.55297 11.3631 in (null):W-9999 (4) and CD2(58) at 2.399 2.857 11.844 in (null):F-9999 (6) other bump:2.72794 Ang CE2(35) at -1.09452 3.20191 9.89685 in (null):W-9999 (4) and CD1(57) at 1.02 1.573 10.46 in (null):F-9999 (6) other bump:1.65695 Ang CZ2(38) at 0.248437 2.84602 9.73227 in (null):W-9999 (4) and CD1(57) at 1.02 1.573 10.46 in (null):F-9999 (6) other bump:1.97237 Ang CH2(40) at 1.17929 3.53891 10.4678 in (null):W-9999 (4) and CD1(57) at 1.02 1.573 10.46 in (null):F-9999 (6) other bump:3.12165 Ang CZ3(39) at 0.798906 4.55297 11.3631 in (null):W-9999 (4) and CD1(57) at 1.02 1.573 10.46 in (null):F-9999 (6) other bump:2.68731 Ang CZ2(38) at 0.248437 2.84602 9.73227 in (null):W-9999 (4) and CG(56) at 1.763 1.651 11.603 in (null):F-9999 (6) other bump:2.27895 Ang CH2(40) at 1.17929 3.53891 10.4678 in (null):W-9999 (4) and CG(56) at 1.763 1.651 11.603 in (null):F-9999 (6) other bump:3.06732 Ang CZ3(39) at 0.798906 4.55297 11.3631 in (null):W-9999 (4) and CG(56) at 1.763 1.651 11.603 in (null):F-9999 (6) neighbor-bump: 1.75968 Ang C(1) at -12.423 12.724 9.589 in (null):G-9999 (0) and CD(6) at -13.5269 12.6518 10.9575 in (null):P-9999 (1) neighbor-bump: 2.44675 Ang C(1) at -12.423 12.724 9.589 in (null):G-9999 (0) and CG(5) at -12.6686 13.4219 11.9212 in (null):P-9999 (1) Number of specific fragments= 1 total=2527 # 1frb.293.293 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 293 :PHHWHFINM 1frb 294 :NWRACLLPE Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22365 Ang C(28) at 86.786 0.051 21.358 in (null):H-9999 (3) and CZ(61) at 85.268 2.86324 21.781 in (null):F-9999 (6) other bump:2.81257 Ang CA(20) at 87.322 1.045 22.402 in (null):H-9999 (3) and CZ(61) at 85.268 2.86324 21.781 in (null):F-9999 (6) other bump:1.68702 Ang CB(21) at 86.1491 1.93246 22.8779 in (null):H-9999 (3) and CZ(61) at 85.268 2.86324 21.781 in (null):F-9999 (6) other bump:2.35481 Ang CG(22) at 86.5921 3.10677 23.713 in (null):H-9999 (3) and CZ(61) at 85.268 2.86324 21.781 in (null):F-9999 (6) other bump:2.64115 Ang ND1(24) at 87.0123 4.28901 23.1595 in (null):H-9999 (3) and CZ(61) at 85.268 2.86324 21.781 in (null):F-9999 (6) other bump:2.57154 Ang CB(21) at 86.1491 1.93246 22.8779 in (null):H-9999 (3) and CE2(60) at 84.1481 3.46186 22.3587 in (null):F-9999 (6) other bump:2.81659 Ang CG(22) at 86.5921 3.10677 23.713 in (null):H-9999 (3) and CE2(60) at 84.1481 3.46186 22.3587 in (null):F-9999 (6) other bump:3.0869 Ang ND1(24) at 87.0123 4.28901 23.1595 in (null):H-9999 (3) and CE2(60) at 84.1481 3.46186 22.3587 in (null):F-9999 (6) other bump:2.01042 Ang O(27) at 86.253 0.442 20.305 in (null):H-9999 (3) and CE1(59) at 85.1229 2.07256 20.6304 in (null):F-9999 (6) other bump:2.71702 Ang C(28) at 86.786 0.051 21.358 in (null):H-9999 (3) and CE1(59) at 85.1229 2.07256 20.6304 in (null):F-9999 (6) other bump:3.00512 Ang CA(20) at 87.322 1.045 22.402 in (null):H-9999 (3) and CE1(59) at 85.1229 2.07256 20.6304 in (null):F-9999 (6) other bump:2.47475 Ang CB(21) at 86.1491 1.93246 22.8779 in (null):H-9999 (3) and CE1(59) at 85.1229 2.07256 20.6304 in (null):F-9999 (6) neighbor-bump: 2.52246 Ang CE3(36) at 84.1068 -5.62964 21.5511 in (null):W-9999 (4) and NE2(50) at 83.3169 -6.15967 19.2148 in (null):H-9999 (5) neighbor-bump: 1.43504 Ang CE3(36) at 84.1068 -5.62964 21.5511 in (null):W-9999 (4) and CE1(49) at 84.1574 -6.14404 20.2123 in (null):H-9999 (5) neighbor-bump: 2.17781 Ang CZ3(39) at 82.9876 -6.28817 22.0437 in (null):W-9999 (4) and CE1(49) at 84.1574 -6.14404 20.2123 in (null):H-9999 (5) neighbor-bump: 2.6357 Ang CD2(34) at 84.9665 -4.97192 22.4301 in (null):W-9999 (4) and CE1(49) at 84.1574 -6.14404 20.2123 in (null):H-9999 (5) neighbor-bump: 0.727995 Ang CE3(36) at 84.1068 -5.62964 21.5511 in (null):W-9999 (4) and ND1(48) at 83.7962 -5.19808 21.0537 in (null):H-9999 (5) neighbor-bump: 2.886 Ang CE2(35) at 84.6871 -4.98924 23.7908 in (null):W-9999 (4) and ND1(48) at 83.7962 -5.19808 21.0537 in (null):H-9999 (5) neighbor-bump: 3.27164 Ang CZ2(38) at 83.5642 -5.64988 24.2857 in (null):W-9999 (4) and ND1(48) at 83.7962 -5.19808 21.0537 in (null):H-9999 (5) neighbor-bump: 1.67991 Ang CZ3(39) at 82.9876 -6.28817 22.0437 in (null):W-9999 (4) and ND1(48) at 83.7962 -5.19808 21.0537 in (null):H-9999 (5) neighbor-bump: 2.80496 Ang CH2(40) at 82.7232 -6.29571 23.4014 in (null):W-9999 (4) and ND1(48) at 83.7962 -5.19808 21.0537 in (null):H-9999 (5) neighbor-bump: 2.86717 Ang CG(32) at 86.1299 -4.20124 22.3883 in (null):W-9999 (4) and ND1(48) at 83.7962 -5.19808 21.0537 in (null):H-9999 (5) neighbor-bump: 1.82069 Ang CD2(34) at 84.9665 -4.97192 22.4301 in (null):W-9999 (4) and ND1(48) at 83.7962 -5.19808 21.0537 in (null):H-9999 (5) neighbor-bump: 2.81145 Ang CE3(36) at 84.1068 -5.62964 21.5511 in (null):W-9999 (4) and CD2(47) at 82.3656 -5.2067 19.3846 in (null):H-9999 (5) neighbor-bump: 2.93724 Ang CZ3(39) at 82.9876 -6.28817 22.0437 in (null):W-9999 (4) and CD2(47) at 82.3656 -5.2067 19.3846 in (null):H-9999 (5) neighbor-bump: 2.06435 Ang CE3(36) at 84.1068 -5.62964 21.5511 in (null):W-9999 (4) and CG(46) at 82.6442 -4.57823 20.5426 in (null):H-9999 (5) neighbor-bump: 2.30109 Ang CZ3(39) at 82.9876 -6.28817 22.0437 in (null):W-9999 (4) and CG(46) at 82.6442 -4.57823 20.5426 in (null):H-9999 (5) neighbor-bump: 3.10313 Ang CE3(36) at 84.1068 -5.62964 21.5511 in (null):W-9999 (4) and CB(45) at 81.9386 -3.4309 21.2443 in (null):H-9999 (5) neighbor-bump: 3.14699 Ang CZ3(39) at 82.9876 -6.28817 22.0437 in (null):W-9999 (4) and CB(45) at 81.9386 -3.4309 21.2443 in (null):H-9999 (5) neighbor-bump: 2.21293 Ang O(0) at 93.163 5.378 20.371 in (null):G-9999 (0) and CD(6) at 94.067 6.41085 22.1068 in (null):P-9999 (1) neighbor-bump: 1.7352 Ang C(1) at 93.931 4.925 21.221 in (null):G-9999 (0) and CD(6) at 94.067 6.41085 22.1068 in (null):P-9999 (1) self-bump: 2.22295 Ang CA(3) at 92.309 5.382 22.997 in (null):P-9999 (1) and CD(6) at 94.067 6.41085 22.1068 in (null):P-9999 (1) Number of specific fragments= 1 total=2528 # 2bnh.293.293 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 293 :PHHWHFINM 2bnh 293 :DEGARLLCE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6964 Ang CD2(58) at 0.277072 60.5594 28.2936 in (null):F-9999 (6) and CE(85) at 1.36121 62.7193 27.0976 in (null):M-9999 (9) other bump:2.61235 Ang CE1(15) at -3.34346 59.4732 30.3846 in (null):H-9999 (2) and CZ(61) at -0.86129 60.2876 30.387 in (null):F-9999 (6) other bump:2.52865 Ang NE2(16) at -2.60249 58.5508 30.9751 in (null):H-9999 (2) and CZ(61) at -0.86129 60.2876 30.387 in (null):F-9999 (6) other bump:2.94624 Ang CE1(15) at -3.34346 59.4732 30.3846 in (null):H-9999 (2) and CE1(59) at -0.439561 58.9779 30.4328 in (null):F-9999 (6) other bump:2.27041 Ang NE2(16) at -2.60249 58.5508 30.9751 in (null):H-9999 (2) and CE1(59) at -0.439561 58.9779 30.4328 in (null):F-9999 (6) self-bump: 1.38899 Ang N(2) at -5.915 53.147 25.365 in (null):P-9999 (1) and CD(6) at -7.12979 52.4781 25.4432 in (null):P-9999 (1) Number of specific fragments= 1 total=2529 # 1fnf.293.297 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 293 :PHHWHFINM 1fnf 1439 :APAVTVRYY Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81793 Ang NE1(37) at 14.0233 21.6013 -37.0819 in (null):W-9999 (4) and CZ(61) at 14.3949 20.6386 -39.7041 in (null):F-9999 (6) other bump:2.96005 Ang N(9) at 14.47 17.918 -40.868 in (null):H-9999 (2) and CZ(61) at 14.3949 20.6386 -39.7041 in (null):F-9999 (6) other bump:2.68521 Ang CB(11) at 15.1553 18.3373 -38.5482 in (null):H-9999 (2) and CZ(61) at 14.3949 20.6386 -39.7041 in (null):F-9999 (6) other bump:2.85043 Ang CG(12) at 16.4983 18.9327 -38.815 in (null):H-9999 (2) and CZ(61) at 14.3949 20.6386 -39.7041 in (null):F-9999 (6) other bump:2.58933 Ang CD2(13) at 16.8868 19.9385 -39.634 in (null):H-9999 (2) and CZ(61) at 14.3949 20.6386 -39.7041 in (null):F-9999 (6) other bump:2.68325 Ang CE2(35) at 14.8013 20.47 -37.0572 in (null):W-9999 (4) and CZ(61) at 14.3949 20.6386 -39.7041 in (null):F-9999 (6) other bump:2.72955 Ang CZ2(38) at 16.0715 20.2544 -37.5847 in (null):W-9999 (4) and CZ(61) at 14.3949 20.6386 -39.7041 in (null):F-9999 (6) other bump:2.77428 Ang NE1(37) at 14.0233 21.6013 -37.0819 in (null):W-9999 (4) and CE2(60) at 14.6529 22.0103 -39.7527 in (null):F-9999 (6) other bump:3.12982 Ang CZ2(38) at 16.0715 20.2544 -37.5847 in (null):W-9999 (4) and CE2(60) at 14.6529 22.0103 -39.7527 in (null):F-9999 (6) other bump:2.79585 Ang N(9) at 14.47 17.918 -40.868 in (null):H-9999 (2) and CE1(59) at 13.092 20.1684 -39.9441 in (null):F-9999 (6) other bump:3.09167 Ang CB(11) at 15.1553 18.3373 -38.5482 in (null):H-9999 (2) and CE1(59) at 13.092 20.1684 -39.9441 in (null):F-9999 (6) other bump:1.91816 Ang CB(11) at 15.1553 18.3373 -38.5482 in (null):H-9999 (2) and CH2(40) at 16.597 18.9574 -37.4454 in (null):W-9999 (4) other bump:1.37339 Ang CG(12) at 16.4983 18.9327 -38.815 in (null):H-9999 (2) and CH2(40) at 16.597 18.9574 -37.4454 in (null):W-9999 (4) other bump:1.4055 Ang ND1(14) at 17.6573 18.4481 -38.2146 in (null):H-9999 (2) and CH2(40) at 16.597 18.9574 -37.4454 in (null):W-9999 (4) other bump:2.42685 Ang CE1(15) at 18.6925 19.1738 -38.6502 in (null):H-9999 (2) and CH2(40) at 16.597 18.9574 -37.4454 in (null):W-9999 (4) other bump:2.41595 Ang CD2(13) at 16.8868 19.9385 -39.634 in (null):H-9999 (2) and CH2(40) at 16.597 18.9574 -37.4454 in (null):W-9999 (4) other bump:2.85779 Ang NE2(16) at 18.2596 20.072 -39.4851 in (null):H-9999 (2) and CH2(40) at 16.597 18.9574 -37.4454 in (null):W-9999 (4) other bump:3.17072 Ang CA(10) at 14.712 17.239 -39.598 in (null):H-9999 (2) and CZ3(39) at 15.8721 17.9983 -36.7465 in (null):W-9999 (4) other bump:1.96849 Ang CB(11) at 15.1553 18.3373 -38.5482 in (null):H-9999 (2) and CZ3(39) at 15.8721 17.9983 -36.7465 in (null):W-9999 (4) other bump:2.35451 Ang CG(12) at 16.4983 18.9327 -38.815 in (null):H-9999 (2) and CZ3(39) at 15.8721 17.9983 -36.7465 in (null):W-9999 (4) other bump:2.35466 Ang ND1(14) at 17.6573 18.4481 -38.2146 in (null):H-9999 (2) and CZ3(39) at 15.8721 17.9983 -36.7465 in (null):W-9999 (4) other bump:2.33305 Ang CB(11) at 15.1553 18.3373 -38.5482 in (null):H-9999 (2) and CZ2(38) at 16.0715 20.2544 -37.5847 in (null):W-9999 (4) other bump:1.85548 Ang CG(12) at 16.4983 18.9327 -38.815 in (null):H-9999 (2) and CZ2(38) at 16.0715 20.2544 -37.5847 in (null):W-9999 (4) other bump:2.48489 Ang ND1(14) at 17.6573 18.4481 -38.2146 in (null):H-9999 (2) and CZ2(38) at 16.0715 20.2544 -37.5847 in (null):W-9999 (4) other bump:3.02868 Ang CE1(15) at 18.6925 19.1738 -38.6502 in (null):H-9999 (2) and CZ2(38) at 16.0715 20.2544 -37.5847 in (null):W-9999 (4) other bump:2.22812 Ang CD2(13) at 16.8868 19.9385 -39.634 in (null):H-9999 (2) and CZ2(38) at 16.0715 20.2544 -37.5847 in (null):W-9999 (4) other bump:2.90389 Ang NE2(16) at 18.2596 20.072 -39.4851 in (null):H-9999 (2) and CZ2(38) at 16.0715 20.2544 -37.5847 in (null):W-9999 (4) other bump:2.43094 Ang CB(11) at 15.1553 18.3373 -38.5482 in (null):H-9999 (2) and CE3(36) at 14.6051 18.213 -36.1836 in (null):W-9999 (4) other bump:2.62621 Ang CB(11) at 15.1553 18.3373 -38.5482 in (null):H-9999 (2) and CE2(35) at 14.8013 20.47 -37.0572 in (null):W-9999 (4) other bump:2.88671 Ang CG(12) at 16.4983 18.9327 -38.815 in (null):H-9999 (2) and CE2(35) at 14.8013 20.47 -37.0572 in (null):W-9999 (4) other bump:2.69385 Ang CB(11) at 15.1553 18.3373 -38.5482 in (null):H-9999 (2) and CD2(34) at 14.0412 19.4861 -36.3812 in (null):W-9999 (4) Number of specific fragments= 1 total=2530 # 1dryA.294.294 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 294 :HHWHFINMR 1dryA 295 :LHRVYIRTD Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04301 Ang CD2(40) at -1.54022 -1.4939 16.2341 in (null):H-9999 (4) and CD1(62) at -1.209 -3.383 16.938 in (null):I-9999 (6) other bump:1.68892 Ang NE2(43) at -0.458257 -1.87109 16.9925 in (null):H-9999 (4) and CD1(62) at -1.209 -3.383 16.938 in (null):I-9999 (6) other bump:2.57658 Ang CD2(40) at -1.54022 -1.4939 16.2341 in (null):H-9999 (4) and CG1(60) at -1.477 -3.962 15.497 in (null):I-9999 (6) other bump:2.76517 Ang NE2(43) at -0.458257 -1.87109 16.9925 in (null):H-9999 (4) and CG1(60) at -1.477 -3.962 15.497 in (null):I-9999 (6) other bump:2.72978 Ang CE2(28) at -0.887668 2.51076 10.0207 in (null):W-9999 (3) and CZ(54) at 1.783 3.074 9.976 in (null):F-9999 (5) other bump:1.69212 Ang CZ2(31) at 0.428457 2.06753 9.85144 in (null):W-9999 (3) and CZ(54) at 1.783 3.074 9.976 in (null):F-9999 (5) other bump:0.782096 Ang CH2(33) at 1.40887 2.71637 10.5623 in (null):W-9999 (3) and CZ(54) at 1.783 3.074 9.976 in (null):F-9999 (5) other bump:2.81309 Ang CE3(29) at -0.209275 4.21071 11.6046 in (null):W-9999 (3) and CZ(54) at 1.783 3.074 9.976 in (null):F-9999 (5) other bump:1.75717 Ang CZ3(32) at 1.10259 3.77168 11.4382 in (null):W-9999 (3) and CZ(54) at 1.783 3.074 9.976 in (null):F-9999 (5) other bump:2.72488 Ang CZ2(31) at 0.428457 2.06753 9.85144 in (null):W-9999 (3) and CE2(53) at 2.563 3.226 11.087 in (null):F-9999 (5) other bump:1.36638 Ang CH2(33) at 1.40887 2.71637 10.5623 in (null):W-9999 (3) and CE2(53) at 2.563 3.226 11.087 in (null):F-9999 (5) other bump:2.98714 Ang CE3(29) at -0.209275 4.21071 11.6046 in (null):W-9999 (3) and CE2(53) at 2.563 3.226 11.087 in (null):F-9999 (5) other bump:1.59809 Ang CZ3(32) at 1.10259 3.77168 11.4382 in (null):W-9999 (3) and CE2(53) at 2.563 3.226 11.087 in (null):F-9999 (5) other bump:2.06257 Ang CE2(28) at -0.887668 2.51076 10.0207 in (null):W-9999 (3) and CE1(52) at 1.069 1.914 9.757 in (null):F-9999 (5) other bump:3.14225 Ang NE1(30) at -2.05485 2.05885 9.44981 in (null):W-9999 (3) and CE1(52) at 1.069 1.914 9.757 in (null):F-9999 (5) other bump:0.665421 Ang CZ2(31) at 0.428457 2.06753 9.85144 in (null):W-9999 (3) and CE1(52) at 1.069 1.914 9.757 in (null):F-9999 (5) other bump:1.18655 Ang CH2(33) at 1.40887 2.71637 10.5623 in (null):W-9999 (3) and CE1(52) at 1.069 1.914 9.757 in (null):F-9999 (5) other bump:3.21284 Ang CE3(29) at -0.209275 4.21071 11.6046 in (null):W-9999 (3) and CE1(52) at 1.069 1.914 9.757 in (null):F-9999 (5) other bump:2.50568 Ang CZ3(32) at 1.10259 3.77168 11.4382 in (null):W-9999 (3) and CE1(52) at 1.069 1.914 9.757 in (null):F-9999 (5) other bump:1.98782 Ang CH2(33) at 1.40887 2.71637 10.5623 in (null):W-9999 (3) and CD2(51) at 2.655 2.166 12.01 in (null):F-9999 (5) other bump:2.30546 Ang CZ3(32) at 1.10259 3.77168 11.4382 in (null):W-9999 (3) and CD2(51) at 2.655 2.166 12.01 in (null):F-9999 (5) other bump:2.69941 Ang CE2(28) at -0.887668 2.51076 10.0207 in (null):W-9999 (3) and CD1(50) at 1.169 0.889 10.674 in (null):F-9999 (5) other bump:1.61677 Ang CZ2(31) at 0.428457 2.06753 9.85144 in (null):W-9999 (3) and CD1(50) at 1.169 0.889 10.674 in (null):F-9999 (5) other bump:1.84642 Ang CH2(33) at 1.40887 2.71637 10.5623 in (null):W-9999 (3) and CD1(50) at 1.169 0.889 10.674 in (null):F-9999 (5) other bump:2.98299 Ang CZ3(32) at 1.10259 3.77168 11.4382 in (null):W-9999 (3) and CD1(50) at 1.169 0.889 10.674 in (null):F-9999 (5) other bump:2.69942 Ang CZ2(31) at 0.428457 2.06753 9.85144 in (null):W-9999 (3) and CG(49) at 1.963 0.993 11.795 in (null):F-9999 (5) other bump:2.19009 Ang CH2(33) at 1.40887 2.71637 10.5623 in (null):W-9999 (3) and CG(49) at 1.963 0.993 11.795 in (null):F-9999 (5) other bump:2.93065 Ang CZ3(32) at 1.10259 3.77168 11.4382 in (null):W-9999 (3) and CG(49) at 1.963 0.993 11.795 in (null):F-9999 (5) Number of specific fragments= 1 total=2531 # 1drtA.294.294 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 294 :HHWHFINMR 1drtA 295 :LHRVYIRTD Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.22207 Ang CD2(40) at -1.65615 -1.27192 16.2954 in (null):H-9999 (4) and CD1(62) at -1.054 -3.344 16.826 in (null):I-9999 (6) other bump:1.76886 Ang NE2(43) at -0.595715 -1.65467 17.081 in (null):H-9999 (4) and CD1(62) at -1.054 -3.344 16.826 in (null):I-9999 (6) other bump:2.7696 Ang CD2(40) at -1.65615 -1.27192 16.2954 in (null):H-9999 (4) and CG1(60) at -1.463 -3.919 15.504 in (null):I-9999 (6) other bump:2.89244 Ang NE2(43) at -0.595715 -1.65467 17.081 in (null):H-9999 (4) and CG1(60) at -1.463 -3.919 15.504 in (null):I-9999 (6) other bump:2.57338 Ang CE2(28) at -0.875991 2.78533 10.1125 in (null):W-9999 (3) and CZ(54) at 1.644 3.265 9.908 in (null):F-9999 (5) other bump:2.95511 Ang CE3(29) at -0.327147 4.49924 11.7311 in (null):W-9999 (3) and CZ(54) at 1.644 3.265 9.908 in (null):F-9999 (5) other bump:1.45731 Ang CZ2(31) at 0.464977 2.41105 9.97464 in (null):W-9999 (3) and CZ(54) at 1.644 3.265 9.908 in (null):F-9999 (5) other bump:0.864463 Ang CH2(33) at 1.39193 3.10043 10.7184 in (null):W-9999 (3) and CZ(54) at 1.644 3.265 9.908 in (null):F-9999 (5) other bump:1.99969 Ang CZ3(32) at 1.00928 4.12892 11.5961 in (null):W-9999 (3) and CZ(54) at 1.644 3.265 9.908 in (null):F-9999 (5) other bump:3.02776 Ang CE3(29) at -0.327147 4.49924 11.7311 in (null):W-9999 (3) and CE2(53) at 2.409 3.39 11.06 in (null):F-9999 (5) other bump:2.43219 Ang CZ2(31) at 0.464977 2.41105 9.97464 in (null):W-9999 (3) and CE2(53) at 2.409 3.39 11.06 in (null):F-9999 (5) other bump:1.11131 Ang CH2(33) at 1.39193 3.10043 10.7184 in (null):W-9999 (3) and CE2(53) at 2.409 3.39 11.06 in (null):F-9999 (5) other bump:1.6711 Ang CZ3(32) at 1.00928 4.12892 11.5961 in (null):W-9999 (3) and CE2(53) at 2.409 3.39 11.06 in (null):F-9999 (5) other bump:2.06871 Ang CE2(28) at -0.875991 2.78533 10.1125 in (null):W-9999 (3) and CE1(52) at 0.999 2.066 9.616 in (null):F-9999 (5) other bump:3.01187 Ang NE1(30) at -2.00312 2.28159 9.50569 in (null):W-9999 (3) and CE1(52) at 0.999 2.066 9.616 in (null):F-9999 (5) other bump:0.729975 Ang CZ2(31) at 0.464977 2.41105 9.97464 in (null):W-9999 (3) and CE1(52) at 0.999 2.066 9.616 in (null):F-9999 (5) other bump:1.56193 Ang CH2(33) at 1.39193 3.10043 10.7184 in (null):W-9999 (3) and CE1(52) at 0.999 2.066 9.616 in (null):F-9999 (5) other bump:2.85943 Ang CZ3(32) at 1.00928 4.12892 11.5961 in (null):W-9999 (3) and CE1(52) at 0.999 2.066 9.616 in (null):F-9999 (5) other bump:2.84263 Ang CZ2(31) at 0.464977 2.41105 9.97464 in (null):W-9999 (3) and CD2(51) at 2.528 2.298 11.927 in (null):F-9999 (5) other bump:1.84265 Ang CH2(33) at 1.39193 3.10043 10.7184 in (null):W-9999 (3) and CD2(51) at 2.528 2.298 11.927 in (null):F-9999 (5) other bump:2.40173 Ang CZ3(32) at 1.00928 4.12892 11.5961 in (null):W-9999 (3) and CD2(51) at 2.528 2.298 11.927 in (null):F-9999 (5) other bump:2.72061 Ang CE2(28) at -0.875991 2.78533 10.1125 in (null):W-9999 (3) and CD1(50) at 1.128 0.984 10.488 in (null):F-9999 (5) other bump:1.65518 Ang CZ2(31) at 0.464977 2.41105 9.97464 in (null):W-9999 (3) and CD1(50) at 1.128 0.984 10.488 in (null):F-9999 (5) other bump:2.14523 Ang CH2(33) at 1.39193 3.10043 10.7184 in (null):W-9999 (3) and CD1(50) at 1.128 0.984 10.488 in (null):F-9999 (5) other bump:2.57153 Ang CZ2(31) at 0.464977 2.41105 9.97464 in (null):W-9999 (3) and CG(49) at 1.891 1.081 11.651 in (null):F-9999 (5) other bump:2.27969 Ang CH2(33) at 1.39193 3.10043 10.7184 in (null):W-9999 (3) and CG(49) at 1.891 1.081 11.651 in (null):F-9999 (5) other bump:3.17337 Ang CZ3(32) at 1.00928 4.12892 11.5961 in (null):W-9999 (3) and CG(49) at 1.891 1.081 11.651 in (null):F-9999 (5) Number of specific fragments= 1 total=2532 # 1ds1A.294.294 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 294 :HHWHFINMR 1ds1A 295 :LHRVYIRTD Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15558 Ang CD2(40) at -1.61932 -1.07103 15.9254 in (null):H-9999 (4) and CD1(62) at -1.3 -3.115 16.531 in (null):I-9999 (6) other bump:1.86429 Ang NE2(43) at -0.512729 -1.42978 16.6567 in (null):H-9999 (4) and CD1(62) at -1.3 -3.115 16.531 in (null):I-9999 (6) other bump:2.70397 Ang CD2(40) at -1.61932 -1.07103 15.9254 in (null):H-9999 (4) and CG1(60) at -1.516 -3.648 15.113 in (null):I-9999 (6) other bump:2.88273 Ang NE2(43) at -0.512729 -1.42978 16.6567 in (null):H-9999 (4) and CG1(60) at -1.516 -3.648 15.113 in (null):I-9999 (6) neighbor-bump: 3.1867 Ang CD2(40) at -1.61932 -1.07103 15.9254 in (null):H-9999 (4) and C(56) at 0.94 -1.248 14.035 in (null):F-9999 (5) other bump:2.71089 Ang CE2(28) at -1.09452 3.20191 9.89685 in (null):W-9999 (3) and CZ(54) at 1.547 3.805 9.81 in (null):F-9999 (5) other bump:2.91615 Ang CE3(29) at -0.539512 4.905 11.5248 in (null):W-9999 (3) and CZ(54) at 1.547 3.805 9.81 in (null):F-9999 (5) other bump:1.61615 Ang CZ2(31) at 0.248437 2.84602 9.73227 in (null):W-9999 (3) and CZ(54) at 1.547 3.805 9.81 in (null):F-9999 (5) other bump:0.799196 Ang CH2(33) at 1.17929 3.53891 10.4678 in (null):W-9999 (3) and CZ(54) at 1.547 3.805 9.81 in (null):F-9999 (5) other bump:1.87915 Ang CZ3(32) at 0.798906 4.55297 11.3631 in (null):W-9999 (3) and CZ(54) at 1.547 3.805 9.81 in (null):F-9999 (5) other bump:3.07756 Ang CE3(29) at -0.539512 4.905 11.5248 in (null):W-9999 (3) and CE2(53) at 2.32 3.919 10.957 in (null):F-9999 (5) other bump:2.63489 Ang CZ2(31) at 0.248437 2.84602 9.73227 in (null):W-9999 (3) and CE2(53) at 2.32 3.919 10.957 in (null):F-9999 (5) other bump:1.29808 Ang CH2(33) at 1.17929 3.53891 10.4678 in (null):W-9999 (3) and CE2(53) at 2.32 3.919 10.957 in (null):F-9999 (5) other bump:1.69722 Ang CZ3(32) at 0.798906 4.55297 11.3631 in (null):W-9999 (3) and CE2(53) at 2.32 3.919 10.957 in (null):F-9999 (5) other bump:2.09391 Ang CE2(28) at -1.09452 3.20191 9.89685 in (null):W-9999 (3) and CE1(52) at 0.888 2.611 9.573 in (null):F-9999 (5) other bump:3.12613 Ang NE1(30) at -2.22548 2.69064 9.30358 in (null):W-9999 (3) and CE1(52) at 0.888 2.611 9.573 in (null):F-9999 (5) other bump:3.33311 Ang CE3(29) at -0.539512 4.905 11.5248 in (null):W-9999 (3) and CE1(52) at 0.888 2.611 9.573 in (null):F-9999 (5) other bump:0.699743 Ang CZ2(31) at 0.248437 2.84602 9.73227 in (null):W-9999 (3) and CE1(52) at 0.888 2.611 9.573 in (null):F-9999 (5) other bump:1.32157 Ang CH2(33) at 1.17929 3.53891 10.4678 in (null):W-9999 (3) and CE1(52) at 0.888 2.611 9.573 in (null):F-9999 (5) other bump:2.64266 Ang CZ3(32) at 0.798906 4.55297 11.3631 in (null):W-9999 (3) and CE1(52) at 0.888 2.611 9.573 in (null):F-9999 (5) other bump:3.01404 Ang CZ2(31) at 0.248437 2.84602 9.73227 in (null):W-9999 (3) and CD2(51) at 2.399 2.857 11.844 in (null):F-9999 (5) other bump:1.96128 Ang CH2(33) at 1.17929 3.53891 10.4678 in (null):W-9999 (3) and CD2(51) at 2.399 2.857 11.844 in (null):F-9999 (5) other bump:2.38073 Ang CZ3(32) at 0.798906 4.55297 11.3631 in (null):W-9999 (3) and CD2(51) at 2.399 2.857 11.844 in (null):F-9999 (5) other bump:2.72794 Ang CE2(28) at -1.09452 3.20191 9.89685 in (null):W-9999 (3) and CD1(50) at 1.02 1.573 10.46 in (null):F-9999 (5) other bump:1.65695 Ang CZ2(31) at 0.248437 2.84602 9.73227 in (null):W-9999 (3) and CD1(50) at 1.02 1.573 10.46 in (null):F-9999 (5) other bump:1.97237 Ang CH2(33) at 1.17929 3.53891 10.4678 in (null):W-9999 (3) and CD1(50) at 1.02 1.573 10.46 in (null):F-9999 (5) other bump:3.12165 Ang CZ3(32) at 0.798906 4.55297 11.3631 in (null):W-9999 (3) and CD1(50) at 1.02 1.573 10.46 in (null):F-9999 (5) other bump:2.68731 Ang CZ2(31) at 0.248437 2.84602 9.73227 in (null):W-9999 (3) and CG(49) at 1.763 1.651 11.603 in (null):F-9999 (5) other bump:2.27895 Ang CH2(33) at 1.17929 3.53891 10.4678 in (null):W-9999 (3) and CG(49) at 1.763 1.651 11.603 in (null):F-9999 (5) other bump:3.06732 Ang CZ3(32) at 0.798906 4.55297 11.3631 in (null):W-9999 (3) and CG(49) at 1.763 1.651 11.603 in (null):F-9999 (5) Number of specific fragments= 1 total=2533 # 1frb.294.294 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 294 :HHWHFINMR 1frb 295 :WRACLLPET Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22365 Ang C(21) at 86.786 0.051 21.358 in (null):H-9999 (2) and CZ(54) at 85.268 2.86324 21.781 in (null):F-9999 (5) other bump:1.68701 Ang CB(14) at 86.1491 1.93246 22.8779 in (null):H-9999 (2) and CZ(54) at 85.268 2.86324 21.781 in (null):F-9999 (5) other bump:2.3548 Ang CG(15) at 86.5921 3.10677 23.713 in (null):H-9999 (2) and CZ(54) at 85.268 2.86324 21.781 in (null):F-9999 (5) other bump:2.64114 Ang ND1(17) at 87.0123 4.28901 23.1595 in (null):H-9999 (2) and CZ(54) at 85.268 2.86324 21.781 in (null):F-9999 (5) other bump:2.81257 Ang CA(13) at 87.322 1.045 22.402 in (null):H-9999 (2) and CZ(54) at 85.268 2.86324 21.781 in (null):F-9999 (5) other bump:2.57152 Ang CB(14) at 86.1491 1.93246 22.8779 in (null):H-9999 (2) and CE2(53) at 84.1481 3.46186 22.3587 in (null):F-9999 (5) other bump:2.81658 Ang CG(15) at 86.5921 3.10677 23.713 in (null):H-9999 (2) and CE2(53) at 84.1481 3.46186 22.3587 in (null):F-9999 (5) other bump:3.08688 Ang ND1(17) at 87.0123 4.28901 23.1595 in (null):H-9999 (2) and CE2(53) at 84.1481 3.46186 22.3587 in (null):F-9999 (5) other bump:2.01042 Ang O(20) at 86.253 0.442 20.305 in (null):H-9999 (2) and CE1(52) at 85.1229 2.07256 20.6304 in (null):F-9999 (5) other bump:2.71702 Ang C(21) at 86.786 0.051 21.358 in (null):H-9999 (2) and CE1(52) at 85.1229 2.07256 20.6304 in (null):F-9999 (5) other bump:2.47474 Ang CB(14) at 86.1491 1.93246 22.8779 in (null):H-9999 (2) and CE1(52) at 85.1229 2.07256 20.6304 in (null):F-9999 (5) other bump:3.00512 Ang CA(13) at 87.322 1.045 22.402 in (null):H-9999 (2) and CE1(52) at 85.1229 2.07256 20.6304 in (null):F-9999 (5) neighbor-bump: 2.52247 Ang CE3(29) at 84.1068 -5.62963 21.5511 in (null):W-9999 (3) and NE2(43) at 83.3169 -6.15967 19.2148 in (null):H-9999 (4) neighbor-bump: 2.63571 Ang CD2(27) at 84.9665 -4.97192 22.4301 in (null):W-9999 (3) and CE1(42) at 84.1574 -6.14404 20.2123 in (null):H-9999 (4) neighbor-bump: 1.43505 Ang CE3(29) at 84.1068 -5.62963 21.5511 in (null):W-9999 (3) and CE1(42) at 84.1574 -6.14404 20.2123 in (null):H-9999 (4) neighbor-bump: 2.17781 Ang CZ3(32) at 82.9876 -6.28816 22.0437 in (null):W-9999 (3) and CE1(42) at 84.1574 -6.14404 20.2123 in (null):H-9999 (4) neighbor-bump: 2.80497 Ang CH2(33) at 82.7232 -6.2957 23.4014 in (null):W-9999 (3) and ND1(41) at 83.7962 -5.19808 21.0537 in (null):H-9999 (4) neighbor-bump: 2.86718 Ang CG(25) at 86.1299 -4.20124 22.3883 in (null):W-9999 (3) and ND1(41) at 83.7962 -5.19808 21.0537 in (null):H-9999 (4) neighbor-bump: 1.82069 Ang CD2(27) at 84.9665 -4.97192 22.4301 in (null):W-9999 (3) and ND1(41) at 83.7962 -5.19808 21.0537 in (null):H-9999 (4) neighbor-bump: 0.727996 Ang CE3(29) at 84.1068 -5.62963 21.5511 in (null):W-9999 (3) and ND1(41) at 83.7962 -5.19808 21.0537 in (null):H-9999 (4) neighbor-bump: 1.67991 Ang CZ3(32) at 82.9876 -6.28816 22.0437 in (null):W-9999 (3) and ND1(41) at 83.7962 -5.19808 21.0537 in (null):H-9999 (4) neighbor-bump: 2.88601 Ang CE2(28) at 84.6871 -4.98923 23.7908 in (null):W-9999 (3) and ND1(41) at 83.7962 -5.19808 21.0537 in (null):H-9999 (4) neighbor-bump: 3.27165 Ang CZ2(31) at 83.5642 -5.64986 24.2857 in (null):W-9999 (3) and ND1(41) at 83.7962 -5.19808 21.0537 in (null):H-9999 (4) neighbor-bump: 2.81146 Ang CE3(29) at 84.1068 -5.62963 21.5511 in (null):W-9999 (3) and CD2(40) at 82.3655 -5.2067 19.3846 in (null):H-9999 (4) neighbor-bump: 2.93725 Ang CZ3(32) at 82.9876 -6.28816 22.0437 in (null):W-9999 (3) and CD2(40) at 82.3655 -5.2067 19.3846 in (null):H-9999 (4) neighbor-bump: 2.06435 Ang CE3(29) at 84.1068 -5.62963 21.5511 in (null):W-9999 (3) and CG(39) at 82.6442 -4.57823 20.5426 in (null):H-9999 (4) neighbor-bump: 2.30109 Ang CZ3(32) at 82.9876 -6.28816 22.0437 in (null):W-9999 (3) and CG(39) at 82.6442 -4.57823 20.5426 in (null):H-9999 (4) neighbor-bump: 3.10312 Ang CE3(29) at 84.1068 -5.62963 21.5511 in (null):W-9999 (3) and CB(38) at 81.9386 -3.4309 21.2443 in (null):H-9999 (4) neighbor-bump: 3.14698 Ang CZ3(32) at 82.9876 -6.28816 22.0437 in (null):W-9999 (3) and CB(38) at 81.9386 -3.4309 21.2443 in (null):H-9999 (4) Number of specific fragments= 1 total=2534 # 2bnh.294.294 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 294 :HHWHFINMR 2bnh 294 :EGARLLCES Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69639 Ang CD2(51) at 0.277072 60.5594 28.2936 in (null):F-9999 (5) and CE(78) at 1.36122 62.7192 27.0976 in (null):M-9999 (8) other bump:3.30283 Ang ND1(7) at -3.12282 57.9047 30.0462 in (null):H-9999 (1) and CZ(54) at -0.86129 60.2876 30.387 in (null):F-9999 (5) other bump:2.44099 Ang CE1(8) at -2.98845 59.1064 30.5833 in (null):H-9999 (1) and CZ(54) at -0.86129 60.2876 30.387 in (null):F-9999 (5) other bump:2.91567 Ang ND1(7) at -3.12282 57.9047 30.0462 in (null):H-9999 (1) and CE1(52) at -0.439561 58.9779 30.4328 in (null):F-9999 (5) other bump:2.55656 Ang CE1(8) at -2.98845 59.1064 30.5833 in (null):H-9999 (1) and CE1(52) at -0.439561 58.9779 30.4328 in (null):F-9999 (5) Number of specific fragments= 1 total=2535 # 1fnf.294.298 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 294 :HHWHFINMR 1fnf 1440 :PAVTVRYYR Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81794 Ang NE1(30) at 14.0233 21.6013 -37.0819 in (null):W-9999 (3) and CZ(54) at 14.3949 20.6386 -39.7041 in (null):F-9999 (5) other bump:2.96005 Ang N(2) at 14.47 17.918 -40.868 in (null):H-9999 (1) and CZ(54) at 14.3949 20.6386 -39.7041 in (null):F-9999 (5) other bump:2.55011 Ang CB(4) at 15.107 18.4397 -38.6267 in (null):H-9999 (1) and CZ(54) at 14.3949 20.6386 -39.7041 in (null):F-9999 (5) other bump:2.63046 Ang CG(5) at 16.3999 19.0426 -39.1108 in (null):H-9999 (1) and CZ(54) at 14.3949 20.6386 -39.7041 in (null):F-9999 (5) other bump:2.11676 Ang ND1(7) at 16.4646 20.2061 -39.8051 in (null):H-9999 (1) and CZ(54) at 14.3949 20.6386 -39.7041 in (null):F-9999 (5) other bump:2.68326 Ang CE2(28) at 14.8013 20.47 -37.0572 in (null):W-9999 (3) and CZ(54) at 14.3949 20.6386 -39.7041 in (null):F-9999 (5) other bump:2.72956 Ang CZ2(31) at 16.0715 20.2544 -37.5847 in (null):W-9999 (3) and CZ(54) at 14.3949 20.6386 -39.7041 in (null):F-9999 (5) other bump:2.77429 Ang NE1(30) at 14.0233 21.6013 -37.0819 in (null):W-9999 (3) and CE2(53) at 14.6529 22.0103 -39.7527 in (null):F-9999 (5) other bump:2.55731 Ang ND1(7) at 16.4646 20.2061 -39.8051 in (null):H-9999 (1) and CE2(53) at 14.6529 22.0103 -39.7527 in (null):F-9999 (5) other bump:3.12983 Ang CZ2(31) at 16.0715 20.2544 -37.5847 in (null):W-9999 (3) and CE2(53) at 14.6529 22.0103 -39.7527 in (null):F-9999 (5) other bump:2.79585 Ang N(2) at 14.47 17.918 -40.868 in (null):H-9999 (1) and CE1(52) at 13.092 20.1684 -39.9441 in (null):F-9999 (5) other bump:2.96377 Ang CB(4) at 15.107 18.4397 -38.6267 in (null):H-9999 (1) and CE1(52) at 13.092 20.1684 -39.9441 in (null):F-9999 (5) other bump:1.97073 Ang CB(4) at 15.107 18.4397 -38.6267 in (null):H-9999 (1) and CH2(33) at 16.597 18.9574 -37.4454 in (null):W-9999 (3) other bump:1.6792 Ang CG(5) at 16.3999 19.0426 -39.1108 in (null):H-9999 (1) and CH2(33) at 16.597 18.9574 -37.4454 in (null):W-9999 (3) other bump:1.90547 Ang CD2(6) at 17.6991 18.5521 -38.946 in (null):H-9999 (1) and CH2(33) at 16.597 18.9574 -37.4454 in (null):W-9999 (3) other bump:2.67306 Ang ND1(7) at 16.4646 20.2061 -39.8051 in (null):H-9999 (1) and CH2(33) at 16.597 18.9574 -37.4454 in (null):W-9999 (3) other bump:3.20648 Ang CE1(8) at 17.7729 20.4099 -40.0509 in (null):H-9999 (1) and CH2(33) at 16.597 18.9574 -37.4454 in (null):W-9999 (3) other bump:2.89977 Ang NE2(9) at 18.5354 19.4345 -39.5485 in (null):H-9999 (1) and CH2(33) at 16.597 18.9574 -37.4454 in (null):W-9999 (3) other bump:3.17072 Ang CA(3) at 14.712 17.239 -39.598 in (null):H-9999 (1) and CZ3(32) at 15.8721 17.9983 -36.7465 in (null):W-9999 (3) other bump:2.07738 Ang CB(4) at 15.107 18.4397 -38.6267 in (null):H-9999 (1) and CZ3(32) at 15.8721 17.9983 -36.7465 in (null):W-9999 (3) other bump:2.63795 Ang CG(5) at 16.3999 19.0426 -39.1108 in (null):H-9999 (1) and CZ3(32) at 15.8721 17.9983 -36.7465 in (null):W-9999 (3) other bump:2.91243 Ang CD2(6) at 17.6991 18.5521 -38.946 in (null):H-9999 (1) and CZ3(32) at 15.8721 17.9983 -36.7465 in (null):W-9999 (3) other bump:2.30419 Ang CB(4) at 15.107 18.4397 -38.6267 in (null):H-9999 (1) and CZ2(31) at 16.0715 20.2544 -37.5847 in (null):W-9999 (3) other bump:1.97622 Ang CG(5) at 16.3999 19.0426 -39.1108 in (null):H-9999 (1) and CZ2(31) at 16.0715 20.2544 -37.5847 in (null):W-9999 (3) other bump:2.72034 Ang CD2(6) at 17.6991 18.5521 -38.946 in (null):H-9999 (1) and CZ2(31) at 16.0715 20.2544 -37.5847 in (null):W-9999 (3) other bump:2.25549 Ang ND1(7) at 16.4646 20.2061 -39.8051 in (null):H-9999 (1) and CZ2(31) at 16.0715 20.2544 -37.5847 in (null):W-9999 (3) other bump:3.00026 Ang CE1(8) at 17.7729 20.4099 -40.0509 in (null):H-9999 (1) and CZ2(31) at 16.0715 20.2544 -37.5847 in (null):W-9999 (3) other bump:3.2558 Ang NE2(9) at 18.5354 19.4345 -39.5485 in (null):H-9999 (1) and CZ2(31) at 16.0715 20.2544 -37.5847 in (null):W-9999 (3) other bump:2.50441 Ang CB(4) at 15.107 18.4397 -38.6267 in (null):H-9999 (1) and CE3(29) at 14.6051 18.213 -36.1836 in (null):W-9999 (3) other bump:2.58439 Ang CB(4) at 15.107 18.4397 -38.6267 in (null):H-9999 (1) and CE2(28) at 14.8013 20.47 -37.0572 in (null):W-9999 (3) other bump:2.96823 Ang CG(5) at 16.3999 19.0426 -39.1108 in (null):H-9999 (1) and CE2(28) at 14.8013 20.47 -37.0572 in (null):W-9999 (3) other bump:3.22292 Ang ND1(7) at 16.4646 20.2061 -39.8051 in (null):H-9999 (1) and CE2(28) at 14.8013 20.47 -37.0572 in (null):W-9999 (3) other bump:2.69688 Ang CB(4) at 15.107 18.4397 -38.6267 in (null):H-9999 (1) and CD2(27) at 14.0412 19.4861 -36.3812 in (null):W-9999 (3) Number of specific fragments= 1 total=2536 # 1dryA.295.295 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 295 :HWHFINMRI 1dryA 296 :HRVYIRTDR Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03811 Ang SD(67) at 0.795115 -11.0684 11.9696 in (null):M-9999 (7) and CD1(87) at 2.02659 -13.2307 10.2265 in (null):I-9999 (9) other bump:2.66783 Ang CE(68) at 0.520991 -12.7899 12.3843 in (null):M-9999 (7) and CD1(87) at 2.02659 -13.2307 10.2265 in (null):I-9999 (9) other bump:2.04301 Ang CD2(30) at -1.54022 -1.4939 16.2341 in (null):H-9999 (3) and CD1(52) at -1.209 -3.383 16.938 in (null):I-9999 (5) other bump:1.68892 Ang NE2(33) at -0.458257 -1.87109 16.9925 in (null):H-9999 (3) and CD1(52) at -1.209 -3.383 16.938 in (null):I-9999 (5) other bump:2.57658 Ang CD2(30) at -1.54022 -1.4939 16.2341 in (null):H-9999 (3) and CG1(50) at -1.477 -3.962 15.497 in (null):I-9999 (5) other bump:2.76517 Ang NE2(33) at -0.458257 -1.87109 16.9925 in (null):H-9999 (3) and CG1(50) at -1.477 -3.962 15.497 in (null):I-9999 (5) other bump:2.72978 Ang CE2(18) at -0.887668 2.51076 10.0207 in (null):W-9999 (2) and CZ(44) at 1.783 3.074 9.976 in (null):F-9999 (4) other bump:2.81309 Ang CE3(19) at -0.209275 4.21071 11.6046 in (null):W-9999 (2) and CZ(44) at 1.783 3.074 9.976 in (null):F-9999 (4) other bump:1.69212 Ang CZ2(21) at 0.428457 2.06753 9.85144 in (null):W-9999 (2) and CZ(44) at 1.783 3.074 9.976 in (null):F-9999 (4) other bump:1.75717 Ang CZ3(22) at 1.10259 3.77168 11.4382 in (null):W-9999 (2) and CZ(44) at 1.783 3.074 9.976 in (null):F-9999 (4) other bump:0.782096 Ang CH2(23) at 1.40887 2.71637 10.5623 in (null):W-9999 (2) and CZ(44) at 1.783 3.074 9.976 in (null):F-9999 (4) other bump:2.98714 Ang CE3(19) at -0.209275 4.21071 11.6046 in (null):W-9999 (2) and CE2(43) at 2.563 3.226 11.087 in (null):F-9999 (4) other bump:2.72488 Ang CZ2(21) at 0.428457 2.06753 9.85144 in (null):W-9999 (2) and CE2(43) at 2.563 3.226 11.087 in (null):F-9999 (4) other bump:1.59809 Ang CZ3(22) at 1.10259 3.77168 11.4382 in (null):W-9999 (2) and CE2(43) at 2.563 3.226 11.087 in (null):F-9999 (4) other bump:1.36638 Ang CH2(23) at 1.40887 2.71637 10.5623 in (null):W-9999 (2) and CE2(43) at 2.563 3.226 11.087 in (null):F-9999 (4) other bump:2.06257 Ang CE2(18) at -0.887668 2.51076 10.0207 in (null):W-9999 (2) and CE1(42) at 1.069 1.914 9.757 in (null):F-9999 (4) other bump:3.21284 Ang CE3(19) at -0.209275 4.21071 11.6046 in (null):W-9999 (2) and CE1(42) at 1.069 1.914 9.757 in (null):F-9999 (4) other bump:3.14225 Ang NE1(20) at -2.05485 2.05885 9.44981 in (null):W-9999 (2) and CE1(42) at 1.069 1.914 9.757 in (null):F-9999 (4) other bump:0.665421 Ang CZ2(21) at 0.428457 2.06753 9.85144 in (null):W-9999 (2) and CE1(42) at 1.069 1.914 9.757 in (null):F-9999 (4) other bump:2.50568 Ang CZ3(22) at 1.10259 3.77168 11.4382 in (null):W-9999 (2) and CE1(42) at 1.069 1.914 9.757 in (null):F-9999 (4) other bump:1.18655 Ang CH2(23) at 1.40887 2.71637 10.5623 in (null):W-9999 (2) and CE1(42) at 1.069 1.914 9.757 in (null):F-9999 (4) other bump:2.30546 Ang CZ3(22) at 1.10259 3.77168 11.4382 in (null):W-9999 (2) and CD2(41) at 2.655 2.166 12.01 in (null):F-9999 (4) other bump:1.98782 Ang CH2(23) at 1.40887 2.71637 10.5623 in (null):W-9999 (2) and CD2(41) at 2.655 2.166 12.01 in (null):F-9999 (4) other bump:2.69941 Ang CE2(18) at -0.887668 2.51076 10.0207 in (null):W-9999 (2) and CD1(40) at 1.169 0.889 10.674 in (null):F-9999 (4) other bump:1.61677 Ang CZ2(21) at 0.428457 2.06753 9.85144 in (null):W-9999 (2) and CD1(40) at 1.169 0.889 10.674 in (null):F-9999 (4) other bump:2.98299 Ang CZ3(22) at 1.10259 3.77168 11.4382 in (null):W-9999 (2) and CD1(40) at 1.169 0.889 10.674 in (null):F-9999 (4) other bump:1.84642 Ang CH2(23) at 1.40887 2.71637 10.5623 in (null):W-9999 (2) and CD1(40) at 1.169 0.889 10.674 in (null):F-9999 (4) other bump:2.69942 Ang CZ2(21) at 0.428457 2.06753 9.85144 in (null):W-9999 (2) and CG(39) at 1.963 0.993 11.795 in (null):F-9999 (4) other bump:2.93065 Ang CZ3(22) at 1.10259 3.77168 11.4382 in (null):W-9999 (2) and CG(39) at 1.963 0.993 11.795 in (null):F-9999 (4) other bump:2.19009 Ang CH2(23) at 1.40887 2.71637 10.5623 in (null):W-9999 (2) and CG(39) at 1.963 0.993 11.795 in (null):F-9999 (4) Number of specific fragments= 1 total=2537 # 1drtA.295.295 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 295 :HWHFINMRI 1drtA 296 :HRVYIRTDR Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.22922 Ang CE(68) at 0.528024 -12.4443 12.4895 in (null):M-9999 (7) and CD1(87) at 1.78927 -12.9332 10.7176 in (null):I-9999 (9) other bump:2.7884 Ang SD(67) at 0.800506 -10.7183 12.0929 in (null):M-9999 (7) and CD1(87) at 1.78927 -12.9332 10.7176 in (null):I-9999 (9) other bump:2.22207 Ang CD2(30) at -1.65615 -1.27192 16.2954 in (null):H-9999 (3) and CD1(52) at -1.054 -3.344 16.826 in (null):I-9999 (5) other bump:1.76886 Ang NE2(33) at -0.595715 -1.65467 17.081 in (null):H-9999 (3) and CD1(52) at -1.054 -3.344 16.826 in (null):I-9999 (5) other bump:2.7696 Ang CD2(30) at -1.65615 -1.27192 16.2954 in (null):H-9999 (3) and CG1(50) at -1.463 -3.919 15.504 in (null):I-9999 (5) other bump:2.89244 Ang NE2(33) at -0.595715 -1.65467 17.081 in (null):H-9999 (3) and CG1(50) at -1.463 -3.919 15.504 in (null):I-9999 (5) other bump:2.57338 Ang CE2(18) at -0.875991 2.78533 10.1125 in (null):W-9999 (2) and CZ(44) at 1.644 3.265 9.908 in (null):F-9999 (4) other bump:2.95511 Ang CE3(19) at -0.327147 4.49924 11.7311 in (null):W-9999 (2) and CZ(44) at 1.644 3.265 9.908 in (null):F-9999 (4) other bump:1.45731 Ang CZ2(21) at 0.464977 2.41105 9.97464 in (null):W-9999 (2) and CZ(44) at 1.644 3.265 9.908 in (null):F-9999 (4) other bump:1.99969 Ang CZ3(22) at 1.00928 4.12892 11.5961 in (null):W-9999 (2) and CZ(44) at 1.644 3.265 9.908 in (null):F-9999 (4) other bump:0.864463 Ang CH2(23) at 1.39193 3.10043 10.7184 in (null):W-9999 (2) and CZ(44) at 1.644 3.265 9.908 in (null):F-9999 (4) other bump:3.02776 Ang CE3(19) at -0.327147 4.49924 11.7311 in (null):W-9999 (2) and CE2(43) at 2.409 3.39 11.06 in (null):F-9999 (4) other bump:2.43219 Ang CZ2(21) at 0.464977 2.41105 9.97464 in (null):W-9999 (2) and CE2(43) at 2.409 3.39 11.06 in (null):F-9999 (4) other bump:1.6711 Ang CZ3(22) at 1.00928 4.12892 11.5961 in (null):W-9999 (2) and CE2(43) at 2.409 3.39 11.06 in (null):F-9999 (4) other bump:1.11131 Ang CH2(23) at 1.39193 3.10043 10.7184 in (null):W-9999 (2) and CE2(43) at 2.409 3.39 11.06 in (null):F-9999 (4) other bump:2.06871 Ang CE2(18) at -0.875991 2.78533 10.1125 in (null):W-9999 (2) and CE1(42) at 0.999 2.066 9.616 in (null):F-9999 (4) other bump:3.01187 Ang NE1(20) at -2.00312 2.28159 9.50569 in (null):W-9999 (2) and CE1(42) at 0.999 2.066 9.616 in (null):F-9999 (4) other bump:0.729975 Ang CZ2(21) at 0.464977 2.41105 9.97464 in (null):W-9999 (2) and CE1(42) at 0.999 2.066 9.616 in (null):F-9999 (4) other bump:2.85943 Ang CZ3(22) at 1.00928 4.12892 11.5961 in (null):W-9999 (2) and CE1(42) at 0.999 2.066 9.616 in (null):F-9999 (4) other bump:1.56193 Ang CH2(23) at 1.39193 3.10043 10.7184 in (null):W-9999 (2) and CE1(42) at 0.999 2.066 9.616 in (null):F-9999 (4) other bump:2.84263 Ang CZ2(21) at 0.464977 2.41105 9.97464 in (null):W-9999 (2) and CD2(41) at 2.528 2.298 11.927 in (null):F-9999 (4) other bump:2.40173 Ang CZ3(22) at 1.00928 4.12892 11.5961 in (null):W-9999 (2) and CD2(41) at 2.528 2.298 11.927 in (null):F-9999 (4) other bump:1.84265 Ang CH2(23) at 1.39193 3.10043 10.7184 in (null):W-9999 (2) and CD2(41) at 2.528 2.298 11.927 in (null):F-9999 (4) other bump:2.72061 Ang CE2(18) at -0.875991 2.78533 10.1125 in (null):W-9999 (2) and CD1(40) at 1.128 0.984 10.488 in (null):F-9999 (4) other bump:1.65518 Ang CZ2(21) at 0.464977 2.41105 9.97464 in (null):W-9999 (2) and CD1(40) at 1.128 0.984 10.488 in (null):F-9999 (4) other bump:2.14523 Ang CH2(23) at 1.39193 3.10043 10.7184 in (null):W-9999 (2) and CD1(40) at 1.128 0.984 10.488 in (null):F-9999 (4) other bump:2.57153 Ang CZ2(21) at 0.464977 2.41105 9.97464 in (null):W-9999 (2) and CG(39) at 1.891 1.081 11.651 in (null):F-9999 (4) other bump:3.17337 Ang CZ3(22) at 1.00928 4.12892 11.5961 in (null):W-9999 (2) and CG(39) at 1.891 1.081 11.651 in (null):F-9999 (4) other bump:2.27969 Ang CH2(23) at 1.39193 3.10043 10.7184 in (null):W-9999 (2) and CG(39) at 1.891 1.081 11.651 in (null):F-9999 (4) Number of specific fragments= 1 total=2538 # 1ds1A.295.295 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 295 :HWHFINMRI 1ds1A 296 :HRVYIRTDR Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15558 Ang CD2(30) at -1.61932 -1.07103 15.9254 in (null):H-9999 (3) and CD1(52) at -1.3 -3.115 16.531 in (null):I-9999 (5) other bump:1.86429 Ang NE2(33) at -0.512729 -1.42978 16.6567 in (null):H-9999 (3) and CD1(52) at -1.3 -3.115 16.531 in (null):I-9999 (5) other bump:2.70397 Ang CD2(30) at -1.61932 -1.07103 15.9254 in (null):H-9999 (3) and CG1(50) at -1.516 -3.648 15.113 in (null):I-9999 (5) other bump:2.88273 Ang NE2(33) at -0.512729 -1.42978 16.6567 in (null):H-9999 (3) and CG1(50) at -1.516 -3.648 15.113 in (null):I-9999 (5) neighbor-bump: 3.1867 Ang CD2(30) at -1.61932 -1.07103 15.9254 in (null):H-9999 (3) and C(46) at 0.94 -1.248 14.035 in (null):F-9999 (4) other bump:2.71089 Ang CE2(18) at -1.09452 3.20191 9.89685 in (null):W-9999 (2) and CZ(44) at 1.547 3.805 9.81 in (null):F-9999 (4) other bump:1.61615 Ang CZ2(21) at 0.248437 2.84602 9.73227 in (null):W-9999 (2) and CZ(44) at 1.547 3.805 9.81 in (null):F-9999 (4) other bump:2.91615 Ang CE3(19) at -0.539512 4.905 11.5248 in (null):W-9999 (2) and CZ(44) at 1.547 3.805 9.81 in (null):F-9999 (4) other bump:1.87915 Ang CZ3(22) at 0.798906 4.55297 11.3631 in (null):W-9999 (2) and CZ(44) at 1.547 3.805 9.81 in (null):F-9999 (4) other bump:0.799196 Ang CH2(23) at 1.17929 3.53891 10.4678 in (null):W-9999 (2) and CZ(44) at 1.547 3.805 9.81 in (null):F-9999 (4) other bump:2.63489 Ang CZ2(21) at 0.248437 2.84602 9.73227 in (null):W-9999 (2) and CE2(43) at 2.32 3.919 10.957 in (null):F-9999 (4) other bump:3.07756 Ang CE3(19) at -0.539512 4.905 11.5248 in (null):W-9999 (2) and CE2(43) at 2.32 3.919 10.957 in (null):F-9999 (4) other bump:1.69722 Ang CZ3(22) at 0.798906 4.55297 11.3631 in (null):W-9999 (2) and CE2(43) at 2.32 3.919 10.957 in (null):F-9999 (4) other bump:1.29808 Ang CH2(23) at 1.17929 3.53891 10.4678 in (null):W-9999 (2) and CE2(43) at 2.32 3.919 10.957 in (null):F-9999 (4) other bump:2.09391 Ang CE2(18) at -1.09452 3.20191 9.89685 in (null):W-9999 (2) and CE1(42) at 0.888 2.611 9.573 in (null):F-9999 (4) other bump:3.12613 Ang NE1(20) at -2.22548 2.69064 9.30358 in (null):W-9999 (2) and CE1(42) at 0.888 2.611 9.573 in (null):F-9999 (4) other bump:0.699743 Ang CZ2(21) at 0.248437 2.84602 9.73227 in (null):W-9999 (2) and CE1(42) at 0.888 2.611 9.573 in (null):F-9999 (4) other bump:3.33311 Ang CE3(19) at -0.539512 4.905 11.5248 in (null):W-9999 (2) and CE1(42) at 0.888 2.611 9.573 in (null):F-9999 (4) other bump:2.64266 Ang CZ3(22) at 0.798906 4.55297 11.3631 in (null):W-9999 (2) and CE1(42) at 0.888 2.611 9.573 in (null):F-9999 (4) other bump:1.32157 Ang CH2(23) at 1.17929 3.53891 10.4678 in (null):W-9999 (2) and CE1(42) at 0.888 2.611 9.573 in (null):F-9999 (4) other bump:3.01404 Ang CZ2(21) at 0.248437 2.84602 9.73227 in (null):W-9999 (2) and CD2(41) at 2.399 2.857 11.844 in (null):F-9999 (4) other bump:2.38073 Ang CZ3(22) at 0.798906 4.55297 11.3631 in (null):W-9999 (2) and CD2(41) at 2.399 2.857 11.844 in (null):F-9999 (4) other bump:1.96128 Ang CH2(23) at 1.17929 3.53891 10.4678 in (null):W-9999 (2) and CD2(41) at 2.399 2.857 11.844 in (null):F-9999 (4) other bump:2.72794 Ang CE2(18) at -1.09452 3.20191 9.89685 in (null):W-9999 (2) and CD1(40) at 1.02 1.573 10.46 in (null):F-9999 (4) other bump:1.65695 Ang CZ2(21) at 0.248437 2.84602 9.73227 in (null):W-9999 (2) and CD1(40) at 1.02 1.573 10.46 in (null):F-9999 (4) other bump:3.12165 Ang CZ3(22) at 0.798906 4.55297 11.3631 in (null):W-9999 (2) and CD1(40) at 1.02 1.573 10.46 in (null):F-9999 (4) other bump:1.97237 Ang CH2(23) at 1.17929 3.53891 10.4678 in (null):W-9999 (2) and CD1(40) at 1.02 1.573 10.46 in (null):F-9999 (4) other bump:2.68731 Ang CZ2(21) at 0.248437 2.84602 9.73227 in (null):W-9999 (2) and CG(39) at 1.763 1.651 11.603 in (null):F-9999 (4) other bump:3.06732 Ang CZ3(22) at 0.798906 4.55297 11.3631 in (null):W-9999 (2) and CG(39) at 1.763 1.651 11.603 in (null):F-9999 (4) other bump:2.27895 Ang CH2(23) at 1.17929 3.53891 10.4678 in (null):W-9999 (2) and CG(39) at 1.763 1.651 11.603 in (null):F-9999 (4) Number of specific fragments= 1 total=2539 # 1frb.295.295 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 295 :HWHFINMRI 1frb 296 :RACLLPETV Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.179 Ang CG1(50) at 76.2555 -0.0146561 21.5147 in (null):I-9999 (5) and NH1(78) at 74.9944 -0.409925 24.406 in (null):R-9999 (8) other bump:1.72871 Ang CD1(52) at 75.556 -0.532752 22.7756 in (null):I-9999 (5) and NH1(78) at 74.9944 -0.409925 24.406 in (null):R-9999 (8) other bump:2.7605 Ang CD1(52) at 75.556 -0.532752 22.7756 in (null):I-9999 (5) and CZ(77) at 73.9066 0.184165 24.8699 in (null):R-9999 (8) other bump:3.22365 Ang C(11) at 86.786 0.051 21.358 in (null):H-9999 (1) and CZ(44) at 85.268 2.86324 21.781 in (null):F-9999 (4) other bump:2.81257 Ang CA(3) at 87.322 1.045 22.402 in (null):H-9999 (1) and CZ(44) at 85.268 2.86324 21.781 in (null):F-9999 (4) other bump:1.68702 Ang CB(4) at 86.1491 1.93245 22.8779 in (null):H-9999 (1) and CZ(44) at 85.268 2.86324 21.781 in (null):F-9999 (4) other bump:2.35481 Ang CG(5) at 86.5921 3.10676 23.713 in (null):H-9999 (1) and CZ(44) at 85.268 2.86324 21.781 in (null):F-9999 (4) other bump:2.64114 Ang ND1(7) at 87.0123 4.289 23.1595 in (null):H-9999 (1) and CZ(44) at 85.268 2.86324 21.781 in (null):F-9999 (4) other bump:2.57153 Ang CB(4) at 86.1491 1.93245 22.8779 in (null):H-9999 (1) and CE2(43) at 84.1481 3.46186 22.3587 in (null):F-9999 (4) other bump:2.81659 Ang CG(5) at 86.5921 3.10676 23.713 in (null):H-9999 (1) and CE2(43) at 84.1481 3.46186 22.3587 in (null):F-9999 (4) other bump:3.08689 Ang ND1(7) at 87.0123 4.289 23.1595 in (null):H-9999 (1) and CE2(43) at 84.1481 3.46186 22.3587 in (null):F-9999 (4) other bump:2.01042 Ang O(10) at 86.253 0.442 20.305 in (null):H-9999 (1) and CE1(42) at 85.1229 2.07256 20.6304 in (null):F-9999 (4) other bump:2.71702 Ang C(11) at 86.786 0.051 21.358 in (null):H-9999 (1) and CE1(42) at 85.1229 2.07256 20.6304 in (null):F-9999 (4) other bump:3.00512 Ang CA(3) at 87.322 1.045 22.402 in (null):H-9999 (1) and CE1(42) at 85.1229 2.07256 20.6304 in (null):F-9999 (4) other bump:2.47475 Ang CB(4) at 86.1491 1.93245 22.8779 in (null):H-9999 (1) and CE1(42) at 85.1229 2.07256 20.6304 in (null):F-9999 (4) neighbor-bump: 2.52247 Ang CE3(19) at 84.1068 -5.62964 21.5511 in (null):W-9999 (2) and NE2(33) at 83.3169 -6.15967 19.2148 in (null):H-9999 (3) neighbor-bump: 1.43504 Ang CE3(19) at 84.1068 -5.62964 21.5511 in (null):W-9999 (2) and CE1(32) at 84.1574 -6.14404 20.2123 in (null):H-9999 (3) neighbor-bump: 2.63571 Ang CD2(17) at 84.9665 -4.97192 22.4301 in (null):W-9999 (2) and CE1(32) at 84.1574 -6.14404 20.2123 in (null):H-9999 (3) neighbor-bump: 2.1778 Ang CZ3(22) at 82.9877 -6.28817 22.0437 in (null):W-9999 (2) and CE1(32) at 84.1574 -6.14404 20.2123 in (null):H-9999 (3) neighbor-bump: 0.727997 Ang CE3(19) at 84.1068 -5.62964 21.5511 in (null):W-9999 (2) and ND1(31) at 83.7962 -5.19808 21.0537 in (null):H-9999 (3) neighbor-bump: 1.82069 Ang CD2(17) at 84.9665 -4.97192 22.4301 in (null):W-9999 (2) and ND1(31) at 83.7962 -5.19808 21.0537 in (null):H-9999 (3) neighbor-bump: 2.886 Ang CE2(18) at 84.6871 -4.98924 23.7908 in (null):W-9999 (2) and ND1(31) at 83.7962 -5.19808 21.0537 in (null):H-9999 (3) neighbor-bump: 3.27165 Ang CZ2(21) at 83.5642 -5.64987 24.2857 in (null):W-9999 (2) and ND1(31) at 83.7962 -5.19808 21.0537 in (null):H-9999 (3) neighbor-bump: 1.67991 Ang CZ3(22) at 82.9877 -6.28817 22.0437 in (null):W-9999 (2) and ND1(31) at 83.7962 -5.19808 21.0537 in (null):H-9999 (3) neighbor-bump: 2.80496 Ang CH2(23) at 82.7232 -6.29571 23.4014 in (null):W-9999 (2) and ND1(31) at 83.7962 -5.19808 21.0537 in (null):H-9999 (3) neighbor-bump: 2.86717 Ang CG(15) at 86.1299 -4.20124 22.3883 in (null):W-9999 (2) and ND1(31) at 83.7962 -5.19808 21.0537 in (null):H-9999 (3) neighbor-bump: 2.81145 Ang CE3(19) at 84.1068 -5.62964 21.5511 in (null):W-9999 (2) and CD2(30) at 82.3656 -5.2067 19.3846 in (null):H-9999 (3) neighbor-bump: 2.93725 Ang CZ3(22) at 82.9877 -6.28817 22.0437 in (null):W-9999 (2) and CD2(30) at 82.3656 -5.2067 19.3846 in (null):H-9999 (3) neighbor-bump: 2.06435 Ang CE3(19) at 84.1068 -5.62964 21.5511 in (null):W-9999 (2) and CG(29) at 82.6442 -4.57823 20.5426 in (null):H-9999 (3) neighbor-bump: 2.3011 Ang CZ3(22) at 82.9877 -6.28817 22.0437 in (null):W-9999 (2) and CG(29) at 82.6442 -4.57823 20.5426 in (null):H-9999 (3) neighbor-bump: 3.10313 Ang CE3(19) at 84.1068 -5.62964 21.5511 in (null):W-9999 (2) and CB(28) at 81.9386 -3.4309 21.2443 in (null):H-9999 (3) neighbor-bump: 3.147 Ang CZ3(22) at 82.9877 -6.28817 22.0437 in (null):W-9999 (2) and CB(28) at 81.9386 -3.4309 21.2443 in (null):H-9999 (3) Number of specific fragments= 1 total=2540 # 1fnf.295.299 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 295 :HWHFINMRI 1fnf 1441 :AVTVRYYRI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81794 Ang NE1(20) at 14.0233 21.6013 -37.0819 in (null):W-9999 (2) and CZ(44) at 14.3949 20.6386 -39.7041 in (null):F-9999 (4) other bump:2.68325 Ang CE2(18) at 14.8013 20.47 -37.0572 in (null):W-9999 (2) and CZ(44) at 14.3949 20.6386 -39.7041 in (null):F-9999 (4) other bump:2.72956 Ang CZ2(21) at 16.0715 20.2544 -37.5847 in (null):W-9999 (2) and CZ(44) at 14.3949 20.6386 -39.7041 in (null):F-9999 (4) other bump:2.77428 Ang NE1(20) at 14.0233 21.6013 -37.0819 in (null):W-9999 (2) and CE2(43) at 14.6529 22.0103 -39.7527 in (null):F-9999 (4) other bump:3.12982 Ang CZ2(21) at 16.0715 20.2544 -37.5847 in (null):W-9999 (2) and CE2(43) at 14.6529 22.0103 -39.7527 in (null):F-9999 (4) Number of specific fragments= 1 total=2541 # 2bnh.295.295 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 295 :HWHFINMRI 2bnh 295 :GARLLCESL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68132 Ang CG2(51) at 4.29723 55.623 21.8561 in (null):I-9999 (5) and CD1(87) at 4.70735 56.9648 19.5712 in (null):I-9999 (9) other bump:2.69639 Ang CD2(41) at 0.277072 60.5594 28.2936 in (null):F-9999 (4) and CE(68) at 1.36122 62.7192 27.0976 in (null):M-9999 (7) Number of specific fragments= 1 total=2542 # 1dryA.296.296 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 296 :WHFINMRIW 1dryA 297 :RVYIRTDRN Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.53893 Ang CG2(76) at 4.92455 -13.5019 9.01625 in (null):I-9999 (8) and NE1(88) at 4.581 -14.1521 6.58615 in (null):W-9999 (9) neighbor-bump: 1.94063 Ang CG2(76) at 4.92455 -13.5019 9.01625 in (null):I-9999 (8) and CD1(84) at 5.37092 -13.1923 7.15319 in (null):W-9999 (9) neighbor-bump: 2.5214 Ang CG2(76) at 4.92455 -13.5019 9.01625 in (null):I-9999 (8) and CG(83) at 6.6797 -13.5794 7.20769 in (null):W-9999 (9) other bump:3.02834 Ang SD(57) at 0.795115 -11.0684 11.9696 in (null):M-9999 (6) and CD1(77) at 2.05618 -13.1225 10.1361 in (null):I-9999 (8) other bump:2.7426 Ang CE(58) at 0.520991 -12.7899 12.3843 in (null):M-9999 (6) and CD1(77) at 2.05618 -13.1225 10.1361 in (null):I-9999 (8) other bump:2.04302 Ang CD2(20) at -1.54023 -1.49391 16.2341 in (null):H-9999 (2) and CD1(42) at -1.209 -3.383 16.938 in (null):I-9999 (4) other bump:1.68891 Ang NE2(23) at -0.458276 -1.8711 16.9925 in (null):H-9999 (2) and CD1(42) at -1.209 -3.383 16.938 in (null):I-9999 (4) other bump:2.57658 Ang CD2(20) at -1.54023 -1.49391 16.2341 in (null):H-9999 (2) and CG1(40) at -1.477 -3.962 15.497 in (null):I-9999 (4) other bump:2.76516 Ang NE2(23) at -0.458276 -1.8711 16.9925 in (null):H-9999 (2) and CG1(40) at -1.477 -3.962 15.497 in (null):I-9999 (4) other bump:1.6543 Ang CZ2(11) at 0.508924 2.81417 8.95329 in (null):W-9999 (1) and CZ(34) at 1.783 3.074 9.976 in (null):F-9999 (3) other bump:2.67037 Ang CZ3(12) at 0.608366 5.23595 8.93817 in (null):W-9999 (1) and CZ(34) at 1.783 3.074 9.976 in (null):F-9999 (3) other bump:1.81518 Ang CH2(13) at 1.10944 3.97473 8.55127 in (null):W-9999 (1) and CZ(34) at 1.783 3.074 9.976 in (null):F-9999 (3) other bump:2.42112 Ang CE2(8) at -0.623955 2.92202 9.76316 in (null):W-9999 (1) and CZ(34) at 1.783 3.074 9.976 in (null):F-9999 (3) other bump:3.24075 Ang CE3(9) at -0.520881 5.34168 9.74745 in (null):W-9999 (1) and CZ(34) at 1.783 3.074 9.976 in (null):F-9999 (3) other bump:2.99024 Ang CZ2(11) at 0.508924 2.81417 8.95329 in (null):W-9999 (1) and CE2(33) at 2.563 3.226 11.087 in (null):F-9999 (3) other bump:3.01718 Ang CH2(13) at 1.10944 3.97473 8.55127 in (null):W-9999 (1) and CE2(33) at 2.563 3.226 11.087 in (null):F-9999 (3) other bump:1.33039 Ang CZ2(11) at 0.508924 2.81417 8.95329 in (null):W-9999 (1) and CE1(32) at 1.069 1.914 9.757 in (null):F-9999 (3) other bump:2.3879 Ang CH2(13) at 1.10944 3.97473 8.55127 in (null):W-9999 (1) and CE1(32) at 1.069 1.914 9.757 in (null):F-9999 (3) other bump:1.97034 Ang CE2(8) at -0.623955 2.92202 9.76316 in (null):W-9999 (1) and CE1(32) at 1.069 1.914 9.757 in (null):F-9999 (3) other bump:2.54046 Ang NE1(10) at -1.41206 1.94694 10.3021 in (null):W-9999 (1) and CE1(32) at 1.069 1.914 9.757 in (null):F-9999 (3) other bump:2.66511 Ang CZ2(11) at 0.508924 2.81417 8.95329 in (null):W-9999 (1) and CD1(30) at 1.169 0.889 10.674 in (null):F-9999 (3) other bump:2.85963 Ang CE2(8) at -0.623955 2.92202 9.76316 in (null):W-9999 (1) and CD1(30) at 1.169 0.889 10.674 in (null):F-9999 (3) other bump:2.81414 Ang NE1(10) at -1.41206 1.94694 10.3021 in (null):W-9999 (1) and CD1(30) at 1.169 0.889 10.674 in (null):F-9999 (3) Number of specific fragments= 1 total=2543 # 1drtA.296.296 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 296 :WHFINMRIW 1drtA 297 :RVYIRTDRN Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.63085 Ang CG2(76) at 6.18603 -14.7258 9.33842 in (null):I-9999 (8) and CD1(84) at 6.99647 -14.8424 6.83822 in (null):W-9999 (9) neighbor-bump: 2.62969 Ang CG2(76) at 6.18603 -14.7258 9.33842 in (null):I-9999 (8) and CG(83) at 6.64477 -13.5372 7.03798 in (null):W-9999 (9) neighbor-bump: 2.82686 Ang CG2(76) at 6.18603 -14.7258 9.33842 in (null):I-9999 (8) and CA(81) at 8.561 -13.248 8.93 in (null):W-9999 (9) neighbor-bump: 2.41692 Ang CB(74) at 5.3732 -14.6624 10.6094 in (null):I-9999 (8) and N(80) at 7.412 -13.687 9.753 in (null):W-9999 (9) neighbor-bump: 1.6595 Ang CG2(76) at 6.18603 -14.7258 9.33842 in (null):I-9999 (8) and N(80) at 7.412 -13.687 9.753 in (null):W-9999 (9) self-bump: 2.32971 Ang CG2(76) at 6.18603 -14.7258 9.33842 in (null):I-9999 (8) and C(79) at 6.833 -12.948 10.698 in (null):I-9999 (8) self-bump: 1.36541 Ang CA(73) at 5.624 -13.58 11.403 in (null):I-9999 (8) and CB(74) at 5.3732 -14.6624 10.6094 in (null):I-9999 (8) other bump:2.22207 Ang CD2(20) at -1.65614 -1.27192 16.2954 in (null):H-9999 (2) and CD1(42) at -1.054 -3.344 16.826 in (null):I-9999 (4) other bump:1.76887 Ang NE2(23) at -0.595705 -1.65467 17.081 in (null):H-9999 (2) and CD1(42) at -1.054 -3.344 16.826 in (null):I-9999 (4) other bump:2.7696 Ang CD2(20) at -1.65614 -1.27192 16.2954 in (null):H-9999 (2) and CG1(40) at -1.463 -3.919 15.504 in (null):I-9999 (4) other bump:2.89244 Ang NE2(23) at -0.595705 -1.65467 17.081 in (null):H-9999 (2) and CG1(40) at -1.463 -3.919 15.504 in (null):I-9999 (4) other bump:2.57338 Ang CE2(8) at -0.875994 2.78531 10.1125 in (null):W-9999 (1) and CZ(34) at 1.644 3.265 9.908 in (null):F-9999 (3) other bump:2.9551 Ang CE3(9) at -0.327146 4.49923 11.7312 in (null):W-9999 (1) and CZ(34) at 1.644 3.265 9.908 in (null):F-9999 (3) other bump:1.45733 Ang CZ2(11) at 0.464973 2.41103 9.97465 in (null):W-9999 (1) and CZ(34) at 1.644 3.265 9.908 in (null):F-9999 (3) other bump:1.99968 Ang CZ3(12) at 1.00928 4.1289 11.5961 in (null):W-9999 (1) and CZ(34) at 1.644 3.265 9.908 in (null):F-9999 (3) other bump:0.864467 Ang CH2(13) at 1.39193 3.10041 10.7184 in (null):W-9999 (1) and CZ(34) at 1.644 3.265 9.908 in (null):F-9999 (3) other bump:3.02776 Ang CE3(9) at -0.327146 4.49923 11.7312 in (null):W-9999 (1) and CE2(33) at 2.409 3.39 11.06 in (null):F-9999 (3) other bump:2.4322 Ang CZ2(11) at 0.464973 2.41103 9.97465 in (null):W-9999 (1) and CE2(33) at 2.409 3.39 11.06 in (null):F-9999 (3) other bump:1.67109 Ang CZ3(12) at 1.00928 4.1289 11.5961 in (null):W-9999 (1) and CE2(33) at 2.409 3.39 11.06 in (null):F-9999 (3) other bump:1.11131 Ang CH2(13) at 1.39193 3.10041 10.7184 in (null):W-9999 (1) and CE2(33) at 2.409 3.39 11.06 in (null):F-9999 (3) other bump:2.06871 Ang CE2(8) at -0.875994 2.78531 10.1125 in (null):W-9999 (1) and CE1(32) at 0.999 2.066 9.616 in (null):F-9999 (3) other bump:3.01187 Ang NE1(10) at -2.00312 2.28157 9.50569 in (null):W-9999 (1) and CE1(32) at 0.999 2.066 9.616 in (null):F-9999 (3) other bump:0.729973 Ang CZ2(11) at 0.464973 2.41103 9.97465 in (null):W-9999 (1) and CE1(32) at 0.999 2.066 9.616 in (null):F-9999 (3) other bump:2.85942 Ang CZ3(12) at 1.00928 4.1289 11.5961 in (null):W-9999 (1) and CE1(32) at 0.999 2.066 9.616 in (null):F-9999 (3) other bump:1.56192 Ang CH2(13) at 1.39193 3.10041 10.7184 in (null):W-9999 (1) and CE1(32) at 0.999 2.066 9.616 in (null):F-9999 (3) other bump:2.84263 Ang CZ2(11) at 0.464973 2.41103 9.97465 in (null):W-9999 (1) and CD2(31) at 2.528 2.298 11.927 in (null):F-9999 (3) other bump:2.40172 Ang CZ3(12) at 1.00928 4.1289 11.5961 in (null):W-9999 (1) and CD2(31) at 2.528 2.298 11.927 in (null):F-9999 (3) other bump:1.84265 Ang CH2(13) at 1.39193 3.10041 10.7184 in (null):W-9999 (1) and CD2(31) at 2.528 2.298 11.927 in (null):F-9999 (3) other bump:2.7206 Ang CE2(8) at -0.875994 2.78531 10.1125 in (null):W-9999 (1) and CD1(30) at 1.128 0.984 10.488 in (null):F-9999 (3) other bump:1.65516 Ang CZ2(11) at 0.464973 2.41103 9.97465 in (null):W-9999 (1) and CD1(30) at 1.128 0.984 10.488 in (null):F-9999 (3) other bump:2.14521 Ang CH2(13) at 1.39193 3.10041 10.7184 in (null):W-9999 (1) and CD1(30) at 1.128 0.984 10.488 in (null):F-9999 (3) other bump:2.57152 Ang CZ2(11) at 0.464973 2.41103 9.97465 in (null):W-9999 (1) and CG(29) at 1.891 1.081 11.651 in (null):F-9999 (3) other bump:3.17335 Ang CZ3(12) at 1.00928 4.1289 11.5961 in (null):W-9999 (1) and CG(29) at 1.891 1.081 11.651 in (null):F-9999 (3) other bump:2.27968 Ang CH2(13) at 1.39193 3.10041 10.7184 in (null):W-9999 (1) and CG(29) at 1.891 1.081 11.651 in (null):F-9999 (3) Number of specific fragments= 1 total=2544 # 1ds1A.296.296 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 296 :WHFINMRIW 1ds1A 297 :RVYIRTDRN Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.91075 Ang CG2(76) at 6.50401 -14.1815 8.81637 in (null):I-9999 (8) and NE1(88) at 6.02356 -14.5588 5.97045 in (null):W-9999 (9) neighbor-bump: 2.23133 Ang CG2(76) at 6.50401 -14.1815 8.81637 in (null):I-9999 (8) and CD1(84) at 7.07931 -14.0199 6.66655 in (null):W-9999 (9) neighbor-bump: 2.27314 Ang CG2(76) at 6.50401 -14.1815 8.81637 in (null):I-9999 (8) and CG(83) at 6.77864 -12.7501 7.07202 in (null):W-9999 (9) neighbor-bump: 2.83316 Ang CG2(76) at 6.50401 -14.1815 8.81637 in (null):I-9999 (8) and CB(82) at 7.67523 -11.801 7.82229 in (null):W-9999 (9) neighbor-bump: 2.64204 Ang C(79) at 7.187 -12.507 10.321 in (null):I-9999 (8) and CB(82) at 7.67523 -11.801 7.82229 in (null):W-9999 (9) neighbor-bump: 2.95382 Ang CG2(76) at 6.50401 -14.1815 8.81637 in (null):I-9999 (8) and CA(81) at 9.03 -12.655 8.697 in (null):W-9999 (9) neighbor-bump: 1.88692 Ang CG2(76) at 6.50401 -14.1815 8.81637 in (null):I-9999 (8) and N(80) at 7.971 -13.234 9.531 in (null):W-9999 (9) self-bump: 2.3525 Ang CG2(76) at 6.50401 -14.1815 8.81637 in (null):I-9999 (8) and C(79) at 7.187 -12.507 10.321 in (null):I-9999 (8) self-bump: 1.35043 Ang CA(73) at 5.936 -13.124 10.907 in (null):I-9999 (8) and CB(74) at 5.68035 -14.1619 10.0818 in (null):I-9999 (8) other bump:2.15558 Ang CD2(20) at -1.61932 -1.07103 15.9254 in (null):H-9999 (2) and CD1(42) at -1.3 -3.115 16.531 in (null):I-9999 (4) other bump:1.86429 Ang NE2(23) at -0.512729 -1.42978 16.6567 in (null):H-9999 (2) and CD1(42) at -1.3 -3.115 16.531 in (null):I-9999 (4) other bump:2.70397 Ang CD2(20) at -1.61932 -1.07103 15.9254 in (null):H-9999 (2) and CG1(40) at -1.516 -3.648 15.113 in (null):I-9999 (4) other bump:2.88273 Ang NE2(23) at -0.512729 -1.42978 16.6567 in (null):H-9999 (2) and CG1(40) at -1.516 -3.648 15.113 in (null):I-9999 (4) neighbor-bump: 3.1867 Ang CD2(20) at -1.61932 -1.07103 15.9254 in (null):H-9999 (2) and C(36) at 0.94 -1.248 14.035 in (null):F-9999 (3) other bump:1.58679 Ang CZ2(11) at 0.29435 3.62681 8.85239 in (null):W-9999 (1) and CZ(34) at 1.547 3.805 9.81 in (null):F-9999 (3) other bump:2.75469 Ang CZ3(12) at 0.238759 6.04967 8.89442 in (null):W-9999 (1) and CZ(34) at 1.547 3.805 9.81 in (null):F-9999 (3) other bump:2.40888 Ang CE2(8) at -0.851181 3.64291 9.65141 in (null):W-9999 (1) and CZ(34) at 1.547 3.805 9.81 in (null):F-9999 (3) other bump:3.33451 Ang CE3(9) at -0.903007 6.06391 9.69285 in (null):W-9999 (1) and CZ(34) at 1.547 3.805 9.81 in (null):F-9999 (3) other bump:1.82676 Ang CH2(13) at 0.82337 4.83253 8.48426 in (null):W-9999 (1) and CZ(34) at 1.547 3.805 9.81 in (null):F-9999 (3) other bump:2.93564 Ang CZ2(11) at 0.29435 3.62681 8.85239 in (null):W-9999 (1) and CE2(33) at 2.32 3.919 10.957 in (null):F-9999 (3) other bump:3.03131 Ang CH2(13) at 0.82337 4.83253 8.48426 in (null):W-9999 (1) and CE2(33) at 2.32 3.919 10.957 in (null):F-9999 (3) other bump:1.3797 Ang CZ2(11) at 0.29435 3.62681 8.85239 in (null):W-9999 (1) and CE1(32) at 0.888 2.611 9.573 in (null):F-9999 (3) other bump:2.02379 Ang CE2(8) at -0.851181 3.64291 9.65141 in (null):W-9999 (1) and CE1(32) at 0.888 2.611 9.573 in (null):F-9999 (3) other bump:2.53715 Ang NE1(10) at -1.58064 2.60702 10.1586 in (null):W-9999 (1) and CE1(32) at 0.888 2.611 9.573 in (null):F-9999 (3) other bump:2.47482 Ang CH2(13) at 0.82337 4.83253 8.48426 in (null):W-9999 (1) and CE1(32) at 0.888 2.611 9.573 in (null):F-9999 (3) other bump:2.70723 Ang CZ2(11) at 0.29435 3.62681 8.85239 in (null):W-9999 (1) and CD1(30) at 1.02 1.573 10.46 in (null):F-9999 (3) other bump:2.90511 Ang CE2(8) at -0.851181 3.64291 9.65141 in (null):W-9999 (1) and CD1(30) at 1.02 1.573 10.46 in (null):F-9999 (3) other bump:2.81485 Ang NE1(10) at -1.58064 2.60702 10.1586 in (null):W-9999 (1) and CD1(30) at 1.02 1.573 10.46 in (null):F-9999 (3) Number of specific fragments= 1 total=2545 # 1frb.296.296 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 296 :WHFINMRIW 1frb 297 :ACLLPETVN Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.179 Ang CG1(40) at 76.2555 -0.0146532 21.5147 in (null):I-9999 (4) and NH1(68) at 74.9944 -0.409925 24.406 in (null):R-9999 (7) other bump:1.72871 Ang CD1(42) at 75.556 -0.532748 22.7756 in (null):I-9999 (4) and NH1(68) at 74.9944 -0.409925 24.406 in (null):R-9999 (7) other bump:2.7605 Ang CD1(42) at 75.556 -0.532748 22.7756 in (null):I-9999 (4) and CZ(67) at 73.9066 0.184166 24.8699 in (null):R-9999 (7) other bump:3.22363 Ang C(1) at 86.786 0.051 21.358 in (null):G-9999 (0) and CZ(34) at 85.268 2.86322 21.781 in (null):F-9999 (3) other bump:2.0104 Ang O(0) at 86.253 0.442 20.305 in (null):G-9999 (0) and CE1(32) at 85.1229 2.07254 20.6304 in (null):F-9999 (3) other bump:2.717 Ang C(1) at 86.786 0.051 21.358 in (null):G-9999 (0) and CE1(32) at 85.1229 2.07254 20.6304 in (null):F-9999 (3) neighbor-bump: 3.05184 Ang CD1(6) at 85.8185 -5.92097 20.9465 in (null):W-9999 (1) and NE2(23) at 83.3169 -6.15966 19.2148 in (null):H-9999 (2) neighbor-bump: 2.83766 Ang NE1(10) at 85.9451 -6.90674 19.9808 in (null):W-9999 (1) and NE2(23) at 83.3169 -6.15966 19.2148 in (null):H-9999 (2) neighbor-bump: 2.81503 Ang CG(5) at 86.6272 -4.85989 20.6308 in (null):W-9999 (1) and CE1(22) at 84.1574 -6.14403 20.2123 in (null):H-9999 (2) neighbor-bump: 1.82977 Ang CD1(6) at 85.8185 -5.92097 20.9465 in (null):W-9999 (1) and CE1(22) at 84.1574 -6.14403 20.2123 in (null):H-9999 (2) neighbor-bump: 2.93811 Ang CE2(8) at 86.8301 -6.48617 19.0411 in (null):W-9999 (1) and CE1(22) at 84.1574 -6.14403 20.2123 in (null):H-9999 (2) neighbor-bump: 1.95734 Ang NE1(10) at 85.9451 -6.90674 19.9808 in (null):W-9999 (1) and CE1(22) at 84.1574 -6.14403 20.2123 in (null):H-9999 (2) neighbor-bump: 2.88232 Ang CG(5) at 86.6272 -4.85989 20.6308 in (null):W-9999 (1) and ND1(21) at 83.7962 -5.19808 21.0537 in (null):H-9999 (2) neighbor-bump: 2.15023 Ang CD1(6) at 85.8185 -5.92097 20.9465 in (null):W-9999 (1) and ND1(21) at 83.7962 -5.19808 21.0537 in (null):H-9999 (2) Number of specific fragments= 1 total=2546 # 1fnf.296.300 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 296 :WHFINMRIW 1fnf 1442 :VTVRYYRIT Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.11053 Ang CB(63) at 18.014 30.583 -42.981 in (null):R-9999 (7) and CH2(91) at 20.8341 30.8041 -41.6873 in (null):W-9999 (9) other bump:2.40777 Ang CG(64) at 19.159 31.539 -43.253 in (null):R-9999 (7) and CH2(91) at 20.8341 30.8041 -41.6873 in (null):W-9999 (9) other bump:1.97494 Ang CD(65) at 19.526 32.252 -41.992 in (null):R-9999 (7) and CH2(91) at 20.8341 30.8041 -41.6873 in (null):W-9999 (9) other bump:2.11895 Ang NE(66) at 20.833 32.885 -42.087 in (null):R-9999 (7) and CH2(91) at 20.8341 30.8041 -41.6873 in (null):W-9999 (9) other bump:2.2599 Ang CZ(67) at 21.785 32.786 -41.163 in (null):R-9999 (7) and CH2(91) at 20.8341 30.8041 -41.6873 in (null):W-9999 (9) other bump:2.19361 Ang NH1(68) at 21.582 32.072 -40.061 in (null):R-9999 (7) and CH2(91) at 20.8341 30.8041 -41.6873 in (null):W-9999 (9) other bump:2.8776 Ang O(70) at 19.472 28.311 -44.345 in (null):R-9999 (7) and CZ3(90) at 21.2061 29.7583 -42.5621 in (null):W-9999 (9) other bump:2.79974 Ang CG(64) at 19.159 31.539 -43.253 in (null):R-9999 (7) and CZ3(90) at 21.2061 29.7583 -42.5621 in (null):W-9999 (9) other bump:3.18447 Ang NE(66) at 20.833 32.885 -42.087 in (null):R-9999 (7) and CZ3(90) at 21.2061 29.7583 -42.5621 in (null):W-9999 (9) other bump:2.5737 Ang CG(64) at 19.159 31.539 -43.253 in (null):R-9999 (7) and CZ2(89) at 21.2716 32.0853 -41.8883 in (null):W-9999 (9) other bump:1.75659 Ang CD(65) at 19.526 32.252 -41.992 in (null):R-9999 (7) and CZ2(89) at 21.2716 32.0853 -41.8883 in (null):W-9999 (9) other bump:0.933479 Ang NE(66) at 20.833 32.885 -42.087 in (null):R-9999 (7) and CZ2(89) at 21.2716 32.0853 -41.8883 in (null):W-9999 (9) other bump:1.13164 Ang CZ(67) at 21.785 32.786 -41.163 in (null):R-9999 (7) and CZ2(89) at 21.2716 32.0853 -41.8883 in (null):W-9999 (9) other bump:1.85349 Ang NH1(68) at 21.582 32.072 -40.061 in (null):R-9999 (7) and CZ2(89) at 21.2716 32.0853 -41.8883 in (null):W-9999 (9) other bump:2.20622 Ang NH2(69) at 22.929 33.431 -41.332 in (null):R-9999 (7) and CZ2(89) at 21.2716 32.0853 -41.8883 in (null):W-9999 (9) other bump:2.35226 Ang NE(66) at 20.833 32.885 -42.087 in (null):R-9999 (7) and NE1(88) at 22.7237 33.4846 -43.3515 in (null):W-9999 (9) other bump:2.48165 Ang CZ(67) at 21.785 32.786 -41.163 in (null):R-9999 (7) and NE1(88) at 22.7237 33.4846 -43.3515 in (null):W-9999 (9) other bump:2.03059 Ang NH2(69) at 22.929 33.431 -41.332 in (null):R-9999 (7) and NE1(88) at 22.7237 33.4846 -43.3515 in (null):W-9999 (9) other bump:3.08202 Ang CG(64) at 19.159 31.539 -43.253 in (null):R-9999 (7) and CE2(86) at 22.1231 32.322 -42.9375 in (null):W-9999 (9) other bump:2.76477 Ang CD(65) at 19.526 32.252 -41.992 in (null):R-9999 (7) and CE2(86) at 22.1231 32.322 -42.9375 in (null):W-9999 (9) other bump:1.64459 Ang NE(66) at 20.833 32.885 -42.087 in (null):R-9999 (7) and CE2(86) at 22.1231 32.322 -42.9375 in (null):W-9999 (9) other bump:1.86502 Ang CZ(67) at 21.785 32.786 -41.163 in (null):R-9999 (7) and CE2(86) at 22.1231 32.322 -42.9375 in (null):W-9999 (9) other bump:2.93757 Ang NH1(68) at 21.582 32.072 -40.061 in (null):R-9999 (7) and CE2(86) at 22.1231 32.322 -42.9375 in (null):W-9999 (9) other bump:2.11109 Ang NH2(69) at 22.929 33.431 -41.332 in (null):R-9999 (7) and CE2(86) at 22.1231 32.322 -42.9375 in (null):W-9999 (9) other bump:2.91151 Ang NE(66) at 20.833 32.885 -42.087 in (null):R-9999 (7) and CD2(85) at 22.5297 31.2884 -43.8332 in (null):W-9999 (9) other bump:2.72956 Ang CZ2(11) at 16.0715 20.2544 -37.5847 in (null):W-9999 (1) and CZ(34) at 14.3949 20.6386 -39.7041 in (null):F-9999 (3) other bump:2.68325 Ang CE2(8) at 14.8013 20.47 -37.0572 in (null):W-9999 (1) and CZ(34) at 14.3949 20.6386 -39.7041 in (null):F-9999 (3) other bump:2.81793 Ang NE1(10) at 14.0233 21.6013 -37.0819 in (null):W-9999 (1) and CZ(34) at 14.3949 20.6386 -39.7041 in (null):F-9999 (3) other bump:3.12983 Ang CZ2(11) at 16.0715 20.2544 -37.5847 in (null):W-9999 (1) and CE2(33) at 14.6529 22.0103 -39.7527 in (null):F-9999 (3) other bump:2.77428 Ang NE1(10) at 14.0233 21.6013 -37.0819 in (null):W-9999 (1) and CE2(33) at 14.6529 22.0103 -39.7527 in (null):F-9999 (3) Number of specific fragments= 1 total=2547 # 2bnh.296.296 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 296 :WHFINMRIW 2bnh 296 :ARLLCESLL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86604 Ang ND2(49) at 1.14249 60.4855 17.9173 in (null):N-9999 (5) and NE1(88) at 1.48983 63.3273 17.7848 in (null):W-9999 (9) other bump:2.9585 Ang CG(48) at 0.741385 60.8099 19.1467 in (null):N-9999 (5) and NE1(88) at 1.48983 63.3273 17.7848 in (null):W-9999 (9) other bump:2.49113 Ang OD1(50) at 0.278294 61.9149 19.441 in (null):N-9999 (5) and NE1(88) at 1.48983 63.3273 17.7848 in (null):W-9999 (9) other bump:2.6888 Ang OD1(50) at 0.278294 61.9149 19.441 in (null):N-9999 (5) and CD1(84) at 2.37104 63.4564 18.7525 in (null):W-9999 (9) other bump:2.68132 Ang CG2(41) at 4.29723 55.623 21.8561 in (null):I-9999 (4) and CD1(77) at 4.70735 56.9648 19.5712 in (null):I-9999 (8) other bump:2.69639 Ang CD2(31) at 0.277071 60.5594 28.2936 in (null):F-9999 (3) and CE(58) at 1.36122 62.7192 27.0976 in (null):M-9999 (6) Number of specific fragments= 1 total=2548 # 1dryA.297.297 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 297 :HFINMRIWP 1dryA 298 :VYIRTDRNG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.81392 Ang O(78) at 9.947 -11.372 8.71 in (null):W-9999 (8) and CD(84) at 11.0608 -12.6968 9.25273 in (null):P-9999 (9) neighbor-bump: 1.42966 Ang C(79) at 9.689 -12.338 9.435 in (null):W-9999 (8) and CD(84) at 11.0608 -12.6968 9.25273 in (null):P-9999 (9) self-bump: 2.13153 Ang CA(81) at 11.278 -11.57 11.049 in (null):P-9999 (9) and CD(84) at 11.0608 -12.6968 9.25273 in (null):P-9999 (9) neighbor-bump: 2.75397 Ang C(79) at 9.689 -12.338 9.435 in (null):W-9999 (8) and CG(83) at 12.1845 -13.3552 10.0026 in (null):P-9999 (9) self-bump: 2.20973 Ang N(80) at 10.249 -12.481 10.613 in (null):P-9999 (9) and CG(83) at 12.1845 -13.3552 10.0026 in (null):P-9999 (9) neighbor-bump: 2.63526 Ang CG2(62) at 4.92455 -13.5019 9.01625 in (null):I-9999 (7) and CE3(73) at 4.3799 -12.721 6.55897 in (null):W-9999 (8) neighbor-bump: 2.37598 Ang CG2(62) at 4.92455 -13.5019 9.01625 in (null):I-9999 (7) and CD2(71) at 5.30847 -13.7639 6.68618 in (null):W-9999 (8) neighbor-bump: 2.44737 Ang CG2(62) at 4.92455 -13.5019 9.01625 in (null):I-9999 (7) and CG(69) at 6.60983 -13.8722 7.28064 in (null):W-9999 (8) neighbor-bump: 2.78295 Ang CG2(62) at 4.92455 -13.5019 9.01625 in (null):I-9999 (7) and CB(68) at 7.38821 -12.7699 7.94884 in (null):W-9999 (8) other bump:2.7426 Ang CE(44) at 0.520991 -12.7899 12.3843 in (null):M-9999 (5) and CD1(63) at 2.05618 -13.1225 10.1361 in (null):I-9999 (7) other bump:3.02834 Ang SD(43) at 0.795115 -11.0684 11.9696 in (null):M-9999 (5) and CD1(63) at 2.05618 -13.1225 10.1361 in (null):I-9999 (7) Number of specific fragments= 1 total=2549 # 1drtA.297.297 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 297 :HFINMRIWP 1drtA 298 :VYIRTDRNG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.3512 Ang O(78) at 9.918 -11.264 8.875 in (null):W-9999 (8) and CD(84) at 11.0948 -13.1646 9.60368 in (null):P-9999 (9) neighbor-bump: 1.73611 Ang C(79) at 9.605 -12.279 9.502 in (null):W-9999 (8) and CD(84) at 11.0948 -13.1646 9.60368 in (null):P-9999 (9) self-bump: 2.19128 Ang CA(81) at 11.175 -11.738 11.265 in (null):P-9999 (9) and CD(84) at 11.0948 -13.1646 9.60368 in (null):P-9999 (9) neighbor-bump: 2.63085 Ang CG2(62) at 6.18603 -14.7258 9.33842 in (null):I-9999 (7) and CD1(70) at 6.99648 -14.8424 6.83823 in (null):W-9999 (8) neighbor-bump: 2.62969 Ang CG2(62) at 6.18603 -14.7258 9.33842 in (null):I-9999 (7) and CG(69) at 6.64477 -13.5372 7.03798 in (null):W-9999 (8) neighbor-bump: 2.82686 Ang CG2(62) at 6.18603 -14.7258 9.33842 in (null):I-9999 (7) and CA(67) at 8.561 -13.248 8.93 in (null):W-9999 (8) neighbor-bump: 1.6595 Ang CG2(62) at 6.18603 -14.7258 9.33842 in (null):I-9999 (7) and N(66) at 7.412 -13.687 9.753 in (null):W-9999 (8) neighbor-bump: 2.41692 Ang CB(60) at 5.3732 -14.6624 10.6094 in (null):I-9999 (7) and N(66) at 7.412 -13.687 9.753 in (null):W-9999 (8) self-bump: 2.32971 Ang CG2(62) at 6.18603 -14.7258 9.33842 in (null):I-9999 (7) and C(65) at 6.833 -12.948 10.698 in (null):I-9999 (7) self-bump: 1.36541 Ang CA(59) at 5.624 -13.58 11.403 in (null):I-9999 (7) and CB(60) at 5.3732 -14.6624 10.6094 in (null):I-9999 (7) Number of specific fragments= 1 total=2550 # 1ds1A.297.297 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 297 :HFINMRIWP 1ds1A 298 :VYIRTDRNG Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.15425 Ang CA(67) at 9.03 -12.655 8.697 in (null):W-9999 (8) and CD(84) at 10.7422 -11.3532 8.81651 in (null):P-9999 (9) neighbor-bump: 0.789578 Ang O(78) at 10.36 -10.735 8.508 in (null):W-9999 (8) and CD(84) at 10.7422 -11.3532 8.81651 in (null):P-9999 (9) neighbor-bump: 0.894415 Ang C(79) at 10.041 -11.695 9.254 in (null):W-9999 (8) and CD(84) at 10.7422 -11.3532 8.81651 in (null):P-9999 (9) self-bump: 2.12844 Ang CA(81) at 11.603 -10.381 10.503 in (null):P-9999 (9) and CD(84) at 10.7422 -11.3532 8.81651 in (null):P-9999 (9) neighbor-bump: 2.13439 Ang O(78) at 10.36 -10.735 8.508 in (null):W-9999 (8) and CG(83) at 12.1717 -11.8168 8.82915 in (null):P-9999 (9) neighbor-bump: 2.17605 Ang C(79) at 10.041 -11.695 9.254 in (null):W-9999 (8) and CG(83) at 12.1717 -11.8168 8.82915 in (null):P-9999 (9) self-bump: 2.1714 Ang N(80) at 10.704 -11.544 10.406 in (null):P-9999 (9) and CG(83) at 12.1717 -11.8168 8.82915 in (null):P-9999 (9) neighbor-bump: 2.91075 Ang CG2(62) at 6.50401 -14.1815 8.81637 in (null):I-9999 (7) and NE1(74) at 6.02356 -14.5588 5.97045 in (null):W-9999 (8) neighbor-bump: 2.23133 Ang CG2(62) at 6.50401 -14.1815 8.81637 in (null):I-9999 (7) and CD1(70) at 7.07932 -14.0199 6.66655 in (null):W-9999 (8) neighbor-bump: 2.27314 Ang CG2(62) at 6.50401 -14.1815 8.81637 in (null):I-9999 (7) and CG(69) at 6.77864 -12.7501 7.07202 in (null):W-9999 (8) neighbor-bump: 2.83317 Ang CG2(62) at 6.50401 -14.1815 8.81637 in (null):I-9999 (7) and CB(68) at 7.67524 -11.801 7.82229 in (null):W-9999 (8) neighbor-bump: 2.64205 Ang C(65) at 7.187 -12.507 10.321 in (null):I-9999 (7) and CB(68) at 7.67524 -11.801 7.82229 in (null):W-9999 (8) neighbor-bump: 2.95382 Ang CG2(62) at 6.50401 -14.1815 8.81637 in (null):I-9999 (7) and CA(67) at 9.03 -12.655 8.697 in (null):W-9999 (8) neighbor-bump: 1.88692 Ang CG2(62) at 6.50401 -14.1815 8.81637 in (null):I-9999 (7) and N(66) at 7.971 -13.234 9.531 in (null):W-9999 (8) self-bump: 2.3525 Ang CG2(62) at 6.50401 -14.1815 8.81637 in (null):I-9999 (7) and C(65) at 7.187 -12.507 10.321 in (null):I-9999 (7) self-bump: 1.35043 Ang CA(59) at 5.936 -13.124 10.907 in (null):I-9999 (7) and CB(60) at 5.68035 -14.1619 10.0818 in (null):I-9999 (7) Number of specific fragments= 1 total=2551 # 1fnf.297.301 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 297 :HFINMRIWP 1fnf 1443 :TVRYYRITY Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.91784 Ang C(79) at 24.377 30.319 -48.174 in (null):W-9999 (8) and CD(84) at 23.6535 31.2448 -49.6898 in (null):P-9999 (9) other bump:2.33331 Ang NE(52) at 20.833 32.885 -42.087 in (null):R-9999 (6) and CZ2(75) at 21.7864 34.7289 -43.1525 in (null):W-9999 (8) other bump:2.78086 Ang CZ(53) at 21.785 32.786 -41.163 in (null):R-9999 (6) and CZ2(75) at 21.7864 34.7289 -43.1525 in (null):W-9999 (8) other bump:2.51087 Ang NH2(55) at 22.929 33.431 -41.332 in (null):R-9999 (6) and CZ2(75) at 21.7864 34.7289 -43.1525 in (null):W-9999 (8) other bump:2.5458 Ang CG(50) at 19.159 31.539 -43.253 in (null):R-9999 (6) and NE1(74) at 21.6151 32.2052 -43.3222 in (null):W-9999 (8) other bump:2.47708 Ang CD(51) at 19.526 32.252 -41.992 in (null):R-9999 (6) and NE1(74) at 21.6151 32.2052 -43.3222 in (null):W-9999 (8) other bump:1.61228 Ang NE(52) at 20.833 32.885 -42.087 in (null):R-9999 (6) and NE1(74) at 21.6151 32.2052 -43.3222 in (null):W-9999 (8) other bump:2.24236 Ang CZ(53) at 21.785 32.786 -41.163 in (null):R-9999 (6) and NE1(74) at 21.6151 32.2052 -43.3222 in (null):W-9999 (8) other bump:2.68135 Ang NH2(55) at 22.929 33.431 -41.332 in (null):R-9999 (6) and NE1(74) at 21.6151 32.2052 -43.3222 in (null):W-9999 (8) other bump:2.09971 Ang NE(52) at 20.833 32.885 -42.087 in (null):R-9999 (6) and CE2(72) at 22.1191 33.444 -43.6498 in (null):W-9999 (8) other bump:2.59396 Ang CZ(53) at 21.785 32.786 -41.163 in (null):R-9999 (6) and CE2(72) at 22.1191 33.444 -43.6498 in (null):W-9999 (8) other bump:2.45524 Ang NH2(55) at 22.929 33.431 -41.332 in (null):R-9999 (6) and CE2(72) at 22.1191 33.444 -43.6498 in (null):W-9999 (8) other bump:2.96644 Ang NE(52) at 20.833 32.885 -42.087 in (null):R-9999 (6) and CD1(70) at 22.2693 31.2358 -44.0912 in (null):W-9999 (8) Number of specific fragments= 1 total=2552 # 1frb.297.297 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 297 :HFINMRIWP 1frb 298 :CLLPETVNM Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.67079 Ang O(56) at 75.245 7.983 24.313 in (null):R-9999 (6) and CD(84) at 74.0089 9.1017 24.4229 in (null):P-9999 (9) other bump:2.50578 Ang C(57) at 75.374 7.341 23.276 in (null):R-9999 (6) and CD(84) at 74.0089 9.1017 24.4229 in (null):P-9999 (9) other bump:2.91606 Ang C(65) at 76.147 10.331 22.867 in (null):I-9999 (7) and CD(84) at 74.0089 9.1017 24.4229 in (null):P-9999 (9) neighbor-bump: 2.47271 Ang N(66) at 74.854 10.548 22.604 in (null):W-9999 (8) and CD(84) at 74.0089 9.1017 24.4229 in (null):P-9999 (9) other bump:3.19866 Ang CA(48) at 74.526 6.093 23.066 in (null):R-9999 (6) and CG(83) at 73.0923 8.11419 25.0886 in (null):P-9999 (9) other bump:2.29187 Ang O(56) at 75.245 7.983 24.313 in (null):R-9999 (6) and CG(83) at 73.0923 8.11419 25.0886 in (null):P-9999 (9) other bump:3.01484 Ang C(57) at 75.374 7.341 23.276 in (null):R-9999 (6) and CG(83) at 73.0923 8.11419 25.0886 in (null):P-9999 (9) other bump:3.179 Ang CG1(26) at 76.2555 -0.0146542 21.5147 in (null):I-9999 (3) and NH1(54) at 74.9944 -0.409925 24.406 in (null):R-9999 (6) other bump:1.72871 Ang CD1(28) at 75.556 -0.532748 22.7756 in (null):I-9999 (3) and NH1(54) at 74.9944 -0.409925 24.406 in (null):R-9999 (6) other bump:2.7605 Ang CD1(28) at 75.556 -0.532748 22.7756 in (null):I-9999 (3) and CZ(53) at 73.9066 0.184167 24.8699 in (null):R-9999 (6) Number of specific fragments= 1 total=2553 # 2bnh.297.297 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 297 :HFINMRIWP 2bnh 297 :RLLCESLLQ Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.95849 Ang CG(34) at 0.741385 60.8099 19.1467 in (null):N-9999 (4) and NE1(74) at 1.48983 63.3273 17.7848 in (null):W-9999 (8) other bump:2.49112 Ang OD1(36) at 0.278293 61.9149 19.441 in (null):N-9999 (4) and NE1(74) at 1.48983 63.3273 17.7848 in (null):W-9999 (8) other bump:2.86603 Ang ND2(35) at 1.14249 60.4855 17.9173 in (null):N-9999 (4) and NE1(74) at 1.48983 63.3273 17.7848 in (null):W-9999 (8) other bump:2.68879 Ang OD1(36) at 0.278293 61.9149 19.441 in (null):N-9999 (4) and CD1(70) at 2.37104 63.4564 18.7525 in (null):W-9999 (8) other bump:2.68132 Ang CG2(27) at 4.29723 55.623 21.8561 in (null):I-9999 (3) and CD1(63) at 4.70735 56.9648 19.5712 in (null):I-9999 (7) other bump:2.69639 Ang CD2(17) at 0.277072 60.5594 28.2936 in (null):F-9999 (2) and CE(44) at 1.36122 62.7192 27.0976 in (null):M-9999 (5) Number of specific fragments= 1 total=2554 # 1dryA.298.298 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 298 :FINMRIWPR 1dryA 299 :YIRTDRNGQ Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.47548 Ang CA(22) at 3.912 -6.567 14.704 in (null):N-9999 (3) and NH2(85) at 3.44391 -6.7666 13.319 in (null):R-9999 (9) other bump:2.66321 Ang CB(23) at 5.33385 -6.17841 15.1009 in (null):N-9999 (3) and NH2(85) at 3.44391 -6.7666 13.319 in (null):R-9999 (9) other bump:2.33887 Ang C(28) at 3.522 -7.908 15.359 in (null):N-9999 (3) and NH2(85) at 3.44391 -6.7666 13.319 in (null):R-9999 (9) other bump:2.61162 Ang N(29) at 3.816 -8.982 14.651 in (null):M-9999 (4) and NH2(85) at 3.44391 -6.7666 13.319 in (null):R-9999 (9) other bump:1.94769 Ang O(19) at 1.847 -5.67 13.117 in (null):I-9999 (2) and NH2(85) at 3.44391 -6.7666 13.319 in (null):R-9999 (9) other bump:2.3331 Ang C(20) at 1.972 -5.2 14.226 in (null):I-9999 (2) and NH2(85) at 3.44391 -6.7666 13.319 in (null):R-9999 (9) other bump:2.19047 Ang N(21) at 2.945 -5.533 15.059 in (null):N-9999 (3) and NH2(85) at 3.44391 -6.7666 13.319 in (null):R-9999 (9) other bump:2.369 Ang CG(32) at 1.51669 -10.4947 13.5171 in (null):M-9999 (4) and NH1(84) at 3.31667 -9.03256 13.0328 in (null):R-9999 (9) other bump:2.11869 Ang CB(31) at 2.95818 -11.0135 13.6932 in (null):M-9999 (4) and NH1(84) at 3.31667 -9.03256 13.0328 in (null):R-9999 (9) other bump:2.48625 Ang CA(30) at 3.568 -10.344 15.13 in (null):M-9999 (4) and NH1(84) at 3.31667 -9.03256 13.0328 in (null):R-9999 (9) other bump:2.59194 Ang C(28) at 3.522 -7.908 15.359 in (null):N-9999 (3) and NH1(84) at 3.31667 -9.03256 13.0328 in (null):R-9999 (9) other bump:1.69428 Ang N(29) at 3.816 -8.982 14.651 in (null):M-9999 (4) and NH1(84) at 3.31667 -9.03256 13.0328 in (null):R-9999 (9) other bump:2.32312 Ang CA(22) at 3.912 -6.567 14.704 in (null):N-9999 (3) and CZ(83) at 3.9279 -7.87482 12.784 in (null):R-9999 (9) other bump:2.60696 Ang C(28) at 3.522 -7.908 15.359 in (null):N-9999 (3) and CZ(83) at 3.9279 -7.87482 12.784 in (null):R-9999 (9) other bump:2.17345 Ang N(29) at 3.816 -8.982 14.651 in (null):M-9999 (4) and CZ(83) at 3.9279 -7.87482 12.784 in (null):R-9999 (9) other bump:3.12758 Ang N(29) at 3.816 -8.982 14.651 in (null):M-9999 (4) and NE(82) at 4.99873 -7.78016 12.0169 in (null):R-9999 (9) neighbor-bump: 1.81392 Ang O(68) at 9.947 -11.372 8.71 in (null):W-9999 (7) and CD(74) at 11.0608 -12.6968 9.25273 in (null):P-9999 (8) neighbor-bump: 1.42966 Ang C(69) at 9.689 -12.338 9.435 in (null):W-9999 (7) and CD(74) at 11.0608 -12.6968 9.25273 in (null):P-9999 (8) self-bump: 2.13153 Ang CA(71) at 11.278 -11.57 11.049 in (null):P-9999 (8) and CD(74) at 11.0608 -12.6968 9.25273 in (null):P-9999 (8) neighbor-bump: 2.75397 Ang C(69) at 9.689 -12.338 9.435 in (null):W-9999 (7) and CG(73) at 12.1845 -13.3552 10.0026 in (null):P-9999 (8) self-bump: 2.20973 Ang N(70) at 10.249 -12.481 10.613 in (null):P-9999 (8) and CG(73) at 12.1845 -13.3552 10.0026 in (null):P-9999 (8) neighbor-bump: 2.63526 Ang CG2(52) at 4.92455 -13.5019 9.01625 in (null):I-9999 (6) and CE3(63) at 4.3799 -12.721 6.55897 in (null):W-9999 (7) neighbor-bump: 2.37598 Ang CG2(52) at 4.92455 -13.5019 9.01625 in (null):I-9999 (6) and CD2(61) at 5.30847 -13.7639 6.68618 in (null):W-9999 (7) neighbor-bump: 2.44737 Ang CG2(52) at 4.92455 -13.5019 9.01625 in (null):I-9999 (6) and CG(59) at 6.60983 -13.8722 7.28064 in (null):W-9999 (7) neighbor-bump: 2.78295 Ang CG2(52) at 4.92455 -13.5019 9.01625 in (null):I-9999 (6) and CB(58) at 7.38821 -12.7699 7.94884 in (null):W-9999 (7) other bump:3.02834 Ang SD(33) at 0.795115 -11.0684 11.9696 in (null):M-9999 (4) and CD1(53) at 2.05618 -13.1225 10.1361 in (null):I-9999 (6) other bump:2.7426 Ang CE(34) at 0.520991 -12.7899 12.3843 in (null):M-9999 (4) and CD1(53) at 2.05618 -13.1225 10.1361 in (null):I-9999 (6) Number of specific fragments= 1 total=2555 # 1drtA.298.298 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 298 :FINMRIWPR 1drtA 299 :YIRTDRNGQ Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.06935 Ang O(19) at 1.882 -5.542 13.003 in (null):I-9999 (2) and NH2(85) at 3.7259 -6.13607 12.2755 in (null):R-9999 (9) other bump:2.38263 Ang CA(22) at 3.955 -6.343 14.638 in (null):N-9999 (3) and NH2(85) at 3.7259 -6.13607 12.2755 in (null):R-9999 (9) other bump:2.79172 Ang C(20) at 1.951 -5.068 14.147 in (null):I-9999 (2) and NH2(85) at 3.7259 -6.13607 12.2755 in (null):R-9999 (9) other bump:2.4959 Ang N(29) at 4.064 -8.749 14.584 in (null):M-9999 (4) and NH1(84) at 3.44303 -8.40446 12.1913 in (null):R-9999 (9) other bump:2.90306 Ang CA(22) at 3.955 -6.343 14.638 in (null):N-9999 (3) and CZ(83) at 4.17596 -7.32622 11.9155 in (null):R-9999 (9) neighbor-bump: 2.3512 Ang O(68) at 9.918 -11.264 8.875 in (null):W-9999 (7) and CD(74) at 11.0948 -13.1646 9.60367 in (null):P-9999 (8) neighbor-bump: 1.73611 Ang C(69) at 9.605 -12.279 9.502 in (null):W-9999 (7) and CD(74) at 11.0948 -13.1646 9.60367 in (null):P-9999 (8) self-bump: 2.19128 Ang CA(71) at 11.175 -11.738 11.265 in (null):P-9999 (8) and CD(74) at 11.0948 -13.1646 9.60367 in (null):P-9999 (8) neighbor-bump: 2.63085 Ang CG2(52) at 6.18603 -14.7258 9.33842 in (null):I-9999 (6) and CD1(60) at 6.99648 -14.8424 6.83823 in (null):W-9999 (7) neighbor-bump: 2.62969 Ang CG2(52) at 6.18603 -14.7258 9.33842 in (null):I-9999 (6) and CG(59) at 6.64477 -13.5372 7.03798 in (null):W-9999 (7) neighbor-bump: 2.82686 Ang CG2(52) at 6.18603 -14.7258 9.33842 in (null):I-9999 (6) and CA(57) at 8.561 -13.248 8.93 in (null):W-9999 (7) neighbor-bump: 2.41692 Ang CB(50) at 5.3732 -14.6624 10.6094 in (null):I-9999 (6) and N(56) at 7.412 -13.687 9.753 in (null):W-9999 (7) neighbor-bump: 1.6595 Ang CG2(52) at 6.18603 -14.7258 9.33842 in (null):I-9999 (6) and N(56) at 7.412 -13.687 9.753 in (null):W-9999 (7) self-bump: 2.32971 Ang CG2(52) at 6.18603 -14.7258 9.33842 in (null):I-9999 (6) and C(55) at 6.833 -12.948 10.698 in (null):I-9999 (6) self-bump: 1.36541 Ang CA(49) at 5.624 -13.58 11.403 in (null):I-9999 (6) and CB(50) at 5.3732 -14.6624 10.6094 in (null):I-9999 (6) Number of specific fragments= 1 total=2556 # 1ds1A.298.298 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 298 :FINMRIWPR 1ds1A 299 :YIRTDRNGQ Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.31973 Ang CA(22) at 4.071 -5.888 14.354 in (null):N-9999 (3) and NH2(85) at 3.54831 -6.52403 13.3225 in (null):R-9999 (9) other bump:1.82299 Ang C(28) at 3.703 -7.249 14.988 in (null):N-9999 (3) and NH2(85) at 3.54831 -6.52403 13.3225 in (null):R-9999 (9) other bump:2.12491 Ang N(29) at 4.111 -8.326 14.298 in (null):M-9999 (4) and NH2(85) at 3.54831 -6.52403 13.3225 in (null):R-9999 (9) other bump:2.51262 Ang C(20) at 2.044 -4.576 13.828 in (null):I-9999 (2) and NH2(85) at 3.54831 -6.52403 13.3225 in (null):R-9999 (9) other bump:2.16111 Ang N(21) at 3.032 -4.902 14.654 in (null):N-9999 (3) and NH2(85) at 3.54831 -6.52403 13.3225 in (null):R-9999 (9) other bump:2.66494 Ang CB(23) at 5.44048 -5.4383 14.8531 in (null):N-9999 (3) and NH2(85) at 3.54831 -6.52403 13.3225 in (null):R-9999 (9) other bump:3.30449 Ang SD(33) at 1.07276 -10.3594 11.5874 in (null):M-9999 (4) and NH1(84) at 3.67089 -8.76038 12.8573 in (null):R-9999 (9) other bump:1.6609 Ang CB(31) at 3.27589 -10.3226 13.26 in (null):M-9999 (4) and NH1(84) at 3.67089 -8.76038 12.8573 in (null):R-9999 (9) other bump:2.16421 Ang CG(32) at 1.81632 -9.83864 13.1432 in (null):M-9999 (4) and NH1(84) at 3.67089 -8.76038 12.8573 in (null):R-9999 (9) other bump:2.08599 Ang CA(30) at 3.892 -9.703 14.705 in (null):M-9999 (4) and NH1(84) at 3.67089 -8.76038 12.8573 in (null):R-9999 (9) other bump:2.88352 Ang C(36) at 5.2 -10.493 14.582 in (null):M-9999 (4) and NH1(84) at 3.67089 -8.76038 12.8573 in (null):R-9999 (9) other bump:2.6125 Ang C(28) at 3.703 -7.249 14.988 in (null):N-9999 (3) and NH1(84) at 3.67089 -8.76038 12.8573 in (null):R-9999 (9) other bump:1.56779 Ang N(29) at 4.111 -8.326 14.298 in (null):M-9999 (4) and NH1(84) at 3.67089 -8.76038 12.8573 in (null):R-9999 (9) other bump:2.98381 Ang CB(31) at 3.27589 -10.3226 13.26 in (null):M-9999 (4) and CZ(83) at 4.13764 -7.52366 12.6885 in (null):R-9999 (9) other bump:2.97931 Ang CA(30) at 3.892 -9.703 14.705 in (null):M-9999 (4) and CZ(83) at 4.13764 -7.52366 12.6885 in (null):R-9999 (9) other bump:2.33535 Ang CA(22) at 4.071 -5.888 14.354 in (null):N-9999 (3) and CZ(83) at 4.13764 -7.52366 12.6885 in (null):R-9999 (9) other bump:2.35632 Ang C(28) at 3.703 -7.249 14.988 in (null):N-9999 (3) and CZ(83) at 4.13764 -7.52366 12.6885 in (null):R-9999 (9) other bump:1.79863 Ang N(29) at 4.111 -8.326 14.298 in (null):M-9999 (4) and CZ(83) at 4.13764 -7.52366 12.6885 in (null):R-9999 (9) other bump:2.82797 Ang N(29) at 4.111 -8.326 14.298 in (null):M-9999 (4) and NE(82) at 5.16488 -7.246 11.9063 in (null):R-9999 (9) neighbor-bump: 2.15425 Ang CA(57) at 9.03 -12.655 8.697 in (null):W-9999 (7) and CD(74) at 10.7422 -11.3532 8.81651 in (null):P-9999 (8) neighbor-bump: 0.789576 Ang O(68) at 10.36 -10.735 8.508 in (null):W-9999 (7) and CD(74) at 10.7422 -11.3532 8.81651 in (null):P-9999 (8) neighbor-bump: 0.894416 Ang C(69) at 10.041 -11.695 9.254 in (null):W-9999 (7) and CD(74) at 10.7422 -11.3532 8.81651 in (null):P-9999 (8) self-bump: 2.12845 Ang CA(71) at 11.603 -10.381 10.503 in (null):P-9999 (8) and CD(74) at 10.7422 -11.3532 8.81651 in (null):P-9999 (8) neighbor-bump: 2.13439 Ang O(68) at 10.36 -10.735 8.508 in (null):W-9999 (7) and CG(73) at 12.1717 -11.8168 8.82915 in (null):P-9999 (8) neighbor-bump: 2.17605 Ang C(69) at 10.041 -11.695 9.254 in (null):W-9999 (7) and CG(73) at 12.1717 -11.8168 8.82915 in (null):P-9999 (8) self-bump: 2.1714 Ang N(70) at 10.704 -11.544 10.406 in (null):P-9999 (8) and CG(73) at 12.1717 -11.8168 8.82915 in (null):P-9999 (8) neighbor-bump: 2.91075 Ang CG2(52) at 6.50401 -14.1815 8.81637 in (null):I-9999 (6) and NE1(64) at 6.02356 -14.5588 5.97045 in (null):W-9999 (7) neighbor-bump: 2.23133 Ang CG2(52) at 6.50401 -14.1815 8.81637 in (null):I-9999 (6) and CD1(60) at 7.07932 -14.0199 6.66655 in (null):W-9999 (7) neighbor-bump: 2.27314 Ang CG2(52) at 6.50401 -14.1815 8.81637 in (null):I-9999 (6) and CG(59) at 6.77864 -12.7501 7.07202 in (null):W-9999 (7) neighbor-bump: 2.83317 Ang CG2(52) at 6.50401 -14.1815 8.81637 in (null):I-9999 (6) and CB(58) at 7.67524 -11.801 7.82229 in (null):W-9999 (7) neighbor-bump: 2.64205 Ang C(55) at 7.187 -12.507 10.321 in (null):I-9999 (6) and CB(58) at 7.67524 -11.801 7.82229 in (null):W-9999 (7) neighbor-bump: 2.95382 Ang CG2(52) at 6.50401 -14.1815 8.81637 in (null):I-9999 (6) and CA(57) at 9.03 -12.655 8.697 in (null):W-9999 (7) neighbor-bump: 1.88692 Ang CG2(52) at 6.50401 -14.1815 8.81637 in (null):I-9999 (6) and N(56) at 7.971 -13.234 9.531 in (null):W-9999 (7) self-bump: 2.3525 Ang CG2(52) at 6.50401 -14.1815 8.81637 in (null):I-9999 (6) and C(55) at 7.187 -12.507 10.321 in (null):I-9999 (6) self-bump: 1.35043 Ang CA(49) at 5.936 -13.124 10.907 in (null):I-9999 (6) and CB(50) at 5.68035 -14.1619 10.0818 in (null):I-9999 (6) Number of specific fragments= 1 total=2557 # 1fnf.298.302 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 298 :FINMRIWPR 1fnf 1444 :VRYYRITYG Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.32505 Ang CA(57) at 23.368 30.929 -47.24 in (null):W-9999 (7) and CD(74) at 23.6156 31.0602 -49.5481 in (null):P-9999 (8) neighbor-bump: 1.73705 Ang C(69) at 24.377 30.319 -48.174 in (null):W-9999 (7) and CD(74) at 23.6156 31.0602 -49.5481 in (null):P-9999 (8) neighbor-bump: 2.59412 Ang C(69) at 24.377 30.319 -48.174 in (null):W-9999 (7) and CG(73) at 23.8079 30.1099 -50.6963 in (null):P-9999 (8) other bump:2.33331 Ang NE(42) at 20.833 32.885 -42.087 in (null):R-9999 (5) and CZ2(65) at 21.7864 34.7289 -43.1525 in (null):W-9999 (7) other bump:2.78086 Ang CZ(43) at 21.785 32.786 -41.163 in (null):R-9999 (5) and CZ2(65) at 21.7864 34.7289 -43.1525 in (null):W-9999 (7) other bump:2.51087 Ang NH2(45) at 22.929 33.431 -41.332 in (null):R-9999 (5) and CZ2(65) at 21.7864 34.7289 -43.1525 in (null):W-9999 (7) other bump:2.5458 Ang CG(40) at 19.159 31.539 -43.253 in (null):R-9999 (5) and NE1(64) at 21.6151 32.2052 -43.3222 in (null):W-9999 (7) other bump:2.47708 Ang CD(41) at 19.526 32.252 -41.992 in (null):R-9999 (5) and NE1(64) at 21.6151 32.2052 -43.3222 in (null):W-9999 (7) other bump:1.61228 Ang NE(42) at 20.833 32.885 -42.087 in (null):R-9999 (5) and NE1(64) at 21.6151 32.2052 -43.3222 in (null):W-9999 (7) other bump:2.24236 Ang CZ(43) at 21.785 32.786 -41.163 in (null):R-9999 (5) and NE1(64) at 21.6151 32.2052 -43.3222 in (null):W-9999 (7) other bump:2.68135 Ang NH2(45) at 22.929 33.431 -41.332 in (null):R-9999 (5) and NE1(64) at 21.6151 32.2052 -43.3222 in (null):W-9999 (7) other bump:2.09971 Ang NE(42) at 20.833 32.885 -42.087 in (null):R-9999 (5) and CE2(62) at 22.1191 33.444 -43.6498 in (null):W-9999 (7) other bump:2.59396 Ang CZ(43) at 21.785 32.786 -41.163 in (null):R-9999 (5) and CE2(62) at 22.1191 33.444 -43.6498 in (null):W-9999 (7) other bump:2.45524 Ang NH2(45) at 22.929 33.431 -41.332 in (null):R-9999 (5) and CE2(62) at 22.1191 33.444 -43.6498 in (null):W-9999 (7) other bump:2.96644 Ang NE(42) at 20.833 32.885 -42.087 in (null):R-9999 (5) and CD1(60) at 22.2693 31.2358 -44.0912 in (null):W-9999 (7) Number of specific fragments= 1 total=2558 # 1frb.298.298 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 298 :FINMRIWPR 1frb 299 :LLPETVNME Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51045 Ang C(47) at 75.374 7.341 23.276 in (null):R-9999 (5) and CD(74) at 74.0105 9.05728 24.4997 in (null):P-9999 (8) other bump:1.64712 Ang O(46) at 75.245 7.983 24.313 in (null):R-9999 (5) and CD(74) at 74.0105 9.05728 24.4997 in (null):P-9999 (8) neighbor-bump: 2.55493 Ang N(56) at 74.854 10.548 22.604 in (null):W-9999 (7) and CD(74) at 74.0105 9.05728 24.4997 in (null):P-9999 (8) other bump:3.11864 Ang C(47) at 75.374 7.341 23.276 in (null):R-9999 (5) and CG(73) at 72.9586 8.11171 25.092 in (null):P-9999 (8) other bump:2.41888 Ang O(46) at 75.245 7.983 24.313 in (null):R-9999 (5) and CG(73) at 72.9586 8.11171 25.092 in (null):P-9999 (8) other bump:1.72871 Ang CD1(18) at 75.556 -0.532754 22.7756 in (null):I-9999 (2) and NH1(44) at 74.9944 -0.409926 24.406 in (null):R-9999 (5) other bump:3.17899 Ang CG1(16) at 76.2555 -0.014657 21.5147 in (null):I-9999 (2) and NH1(44) at 74.9944 -0.409926 24.406 in (null):R-9999 (5) other bump:2.76049 Ang CD1(18) at 75.556 -0.532754 22.7756 in (null):I-9999 (2) and CZ(43) at 73.9066 0.184162 24.8699 in (null):R-9999 (5) Number of specific fragments= 1 total=2559 # 2bnh.298.298 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 298 :FINMRIWPR 2bnh 298 :LLCESLLQP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86603 Ang ND2(25) at 1.14249 60.4855 17.9173 in (null):N-9999 (3) and NE1(64) at 1.48983 63.3273 17.7848 in (null):W-9999 (7) other bump:2.95848 Ang CG(24) at 0.741384 60.8099 19.1467 in (null):N-9999 (3) and NE1(64) at 1.48983 63.3273 17.7848 in (null):W-9999 (7) other bump:2.49112 Ang OD1(26) at 0.278293 61.9149 19.441 in (null):N-9999 (3) and NE1(64) at 1.48983 63.3273 17.7848 in (null):W-9999 (7) other bump:2.68879 Ang OD1(26) at 0.278293 61.9149 19.441 in (null):N-9999 (3) and CD1(60) at 2.37104 63.4564 18.7525 in (null):W-9999 (7) other bump:2.68132 Ang CG2(17) at 4.29723 55.623 21.8561 in (null):I-9999 (2) and CD1(53) at 4.70735 56.9648 19.5712 in (null):I-9999 (6) Number of specific fragments= 1 total=2560 # 1dryA.299.299 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 299 :INMRIWPRV 1dryA 300 :IRTDRNGQL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.81392 Ang O(57) at 9.947 -11.372 8.71 in (null):W-9999 (6) and CD(63) at 11.0608 -12.6968 9.25273 in (null):P-9999 (7) neighbor-bump: 1.42966 Ang C(58) at 9.689 -12.338 9.435 in (null):W-9999 (6) and CD(63) at 11.0608 -12.6968 9.25273 in (null):P-9999 (7) self-bump: 2.13153 Ang CA(60) at 11.278 -11.57 11.049 in (null):P-9999 (7) and CD(63) at 11.0608 -12.6968 9.25273 in (null):P-9999 (7) neighbor-bump: 2.75397 Ang C(58) at 9.689 -12.338 9.435 in (null):W-9999 (6) and CG(62) at 12.1845 -13.3552 10.0026 in (null):P-9999 (7) self-bump: 2.20973 Ang N(59) at 10.249 -12.481 10.613 in (null):P-9999 (7) and CG(62) at 12.1845 -13.3552 10.0026 in (null):P-9999 (7) neighbor-bump: 2.63526 Ang CG2(41) at 4.92455 -13.5019 9.01625 in (null):I-9999 (5) and CE3(52) at 4.3799 -12.721 6.55897 in (null):W-9999 (6) neighbor-bump: 2.37598 Ang CG2(41) at 4.92455 -13.5019 9.01625 in (null):I-9999 (5) and CD2(50) at 5.30847 -13.7639 6.68618 in (null):W-9999 (6) neighbor-bump: 2.44737 Ang CG2(41) at 4.92455 -13.5019 9.01625 in (null):I-9999 (5) and CG(48) at 6.60983 -13.8722 7.28064 in (null):W-9999 (6) neighbor-bump: 2.78295 Ang CG2(41) at 4.92455 -13.5019 9.01625 in (null):I-9999 (5) and CB(47) at 7.38821 -12.7699 7.94884 in (null):W-9999 (6) other bump:3.02834 Ang SD(22) at 0.795115 -11.0684 11.9696 in (null):M-9999 (3) and CD1(42) at 2.05618 -13.1225 10.1361 in (null):I-9999 (5) other bump:2.7426 Ang CE(23) at 0.520991 -12.7899 12.3843 in (null):M-9999 (3) and CD1(42) at 2.05618 -13.1225 10.1361 in (null):I-9999 (5) Number of specific fragments= 1 total=2561 # 1drtA.299.299 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 299 :INMRIWPRV 1drtA 300 :IRTDRNGQL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.3512 Ang O(57) at 9.918 -11.264 8.875 in (null):W-9999 (6) and CD(63) at 11.0948 -13.1646 9.60367 in (null):P-9999 (7) neighbor-bump: 1.73611 Ang C(58) at 9.605 -12.279 9.502 in (null):W-9999 (6) and CD(63) at 11.0948 -13.1646 9.60367 in (null):P-9999 (7) self-bump: 2.19128 Ang CA(60) at 11.175 -11.738 11.265 in (null):P-9999 (7) and CD(63) at 11.0948 -13.1646 9.60367 in (null):P-9999 (7) neighbor-bump: 2.63085 Ang CG2(41) at 6.18603 -14.7258 9.33842 in (null):I-9999 (5) and CD1(49) at 6.99648 -14.8424 6.83823 in (null):W-9999 (6) neighbor-bump: 2.62969 Ang CG2(41) at 6.18603 -14.7258 9.33842 in (null):I-9999 (5) and CG(48) at 6.64477 -13.5372 7.03798 in (null):W-9999 (6) neighbor-bump: 2.82686 Ang CG2(41) at 6.18603 -14.7258 9.33842 in (null):I-9999 (5) and CA(46) at 8.561 -13.248 8.93 in (null):W-9999 (6) neighbor-bump: 2.41692 Ang CB(39) at 5.3732 -14.6624 10.6094 in (null):I-9999 (5) and N(45) at 7.412 -13.687 9.753 in (null):W-9999 (6) neighbor-bump: 1.6595 Ang CG2(41) at 6.18603 -14.7258 9.33842 in (null):I-9999 (5) and N(45) at 7.412 -13.687 9.753 in (null):W-9999 (6) self-bump: 2.32971 Ang CG2(41) at 6.18603 -14.7258 9.33842 in (null):I-9999 (5) and C(44) at 6.833 -12.948 10.698 in (null):I-9999 (5) self-bump: 1.36541 Ang CA(38) at 5.624 -13.58 11.403 in (null):I-9999 (5) and CB(39) at 5.3732 -14.6624 10.6094 in (null):I-9999 (5) Number of specific fragments= 1 total=2562 # 1fnf.299.303 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 299 :INMRIWPRV 1fnf 1445 :RYYRITYGE Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.32505 Ang CA(46) at 23.368 30.929 -47.24 in (null):W-9999 (6) and CD(63) at 23.6156 31.0602 -49.5481 in (null):P-9999 (7) neighbor-bump: 1.73705 Ang C(58) at 24.377 30.319 -48.174 in (null):W-9999 (6) and CD(63) at 23.6156 31.0602 -49.5481 in (null):P-9999 (7) neighbor-bump: 2.59412 Ang C(58) at 24.377 30.319 -48.174 in (null):W-9999 (6) and CG(62) at 23.8079 30.1099 -50.6963 in (null):P-9999 (7) other bump:2.33331 Ang NE(31) at 20.833 32.885 -42.087 in (null):R-9999 (4) and CZ2(54) at 21.7864 34.7289 -43.1525 in (null):W-9999 (6) other bump:2.78086 Ang CZ(32) at 21.785 32.786 -41.163 in (null):R-9999 (4) and CZ2(54) at 21.7864 34.7289 -43.1525 in (null):W-9999 (6) other bump:2.51087 Ang NH2(34) at 22.929 33.431 -41.332 in (null):R-9999 (4) and CZ2(54) at 21.7864 34.7289 -43.1525 in (null):W-9999 (6) other bump:2.5458 Ang CG(29) at 19.159 31.539 -43.253 in (null):R-9999 (4) and NE1(53) at 21.6151 32.2052 -43.3222 in (null):W-9999 (6) other bump:2.47708 Ang CD(30) at 19.526 32.252 -41.992 in (null):R-9999 (4) and NE1(53) at 21.6151 32.2052 -43.3222 in (null):W-9999 (6) other bump:1.61228 Ang NE(31) at 20.833 32.885 -42.087 in (null):R-9999 (4) and NE1(53) at 21.6151 32.2052 -43.3222 in (null):W-9999 (6) other bump:2.24236 Ang CZ(32) at 21.785 32.786 -41.163 in (null):R-9999 (4) and NE1(53) at 21.6151 32.2052 -43.3222 in (null):W-9999 (6) other bump:2.68135 Ang NH2(34) at 22.929 33.431 -41.332 in (null):R-9999 (4) and NE1(53) at 21.6151 32.2052 -43.3222 in (null):W-9999 (6) other bump:2.09971 Ang NE(31) at 20.833 32.885 -42.087 in (null):R-9999 (4) and CE2(51) at 22.1191 33.444 -43.6498 in (null):W-9999 (6) other bump:2.59396 Ang CZ(32) at 21.785 32.786 -41.163 in (null):R-9999 (4) and CE2(51) at 22.1191 33.444 -43.6498 in (null):W-9999 (6) other bump:2.45524 Ang NH2(34) at 22.929 33.431 -41.332 in (null):R-9999 (4) and CE2(51) at 22.1191 33.444 -43.6498 in (null):W-9999 (6) other bump:2.96644 Ang NE(31) at 20.833 32.885 -42.087 in (null):R-9999 (4) and CD1(49) at 22.2693 31.2358 -44.0912 in (null):W-9999 (6) Number of specific fragments= 1 total=2563 # 1ds1A.299.299 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 299 :INMRIWPRV 1ds1A 300 :IRTDRNGQL Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.15425 Ang CA(46) at 9.03 -12.655 8.697 in (null):W-9999 (6) and CD(63) at 10.7422 -11.3532 8.81651 in (null):P-9999 (7) neighbor-bump: 0.789576 Ang O(57) at 10.36 -10.735 8.508 in (null):W-9999 (6) and CD(63) at 10.7422 -11.3532 8.81651 in (null):P-9999 (7) neighbor-bump: 0.894416 Ang C(58) at 10.041 -11.695 9.254 in (null):W-9999 (6) and CD(63) at 10.7422 -11.3532 8.81651 in (null):P-9999 (7) self-bump: 2.12845 Ang CA(60) at 11.603 -10.381 10.503 in (null):P-9999 (7) and CD(63) at 10.7422 -11.3532 8.81651 in (null):P-9999 (7) neighbor-bump: 2.13439 Ang O(57) at 10.36 -10.735 8.508 in (null):W-9999 (6) and CG(62) at 12.1717 -11.8168 8.82915 in (null):P-9999 (7) neighbor-bump: 2.17605 Ang C(58) at 10.041 -11.695 9.254 in (null):W-9999 (6) and CG(62) at 12.1717 -11.8168 8.82915 in (null):P-9999 (7) self-bump: 2.1714 Ang N(59) at 10.704 -11.544 10.406 in (null):P-9999 (7) and CG(62) at 12.1717 -11.8168 8.82915 in (null):P-9999 (7) neighbor-bump: 2.91075 Ang CG2(41) at 6.50401 -14.1815 8.81637 in (null):I-9999 (5) and NE1(53) at 6.02356 -14.5588 5.97045 in (null):W-9999 (6) neighbor-bump: 2.23133 Ang CG2(41) at 6.50401 -14.1815 8.81637 in (null):I-9999 (5) and CD1(49) at 7.07932 -14.0199 6.66655 in (null):W-9999 (6) neighbor-bump: 2.27314 Ang CG2(41) at 6.50401 -14.1815 8.81637 in (null):I-9999 (5) and CG(48) at 6.77864 -12.7501 7.07202 in (null):W-9999 (6) neighbor-bump: 2.83317 Ang CG2(41) at 6.50401 -14.1815 8.81637 in (null):I-9999 (5) and CB(47) at 7.67524 -11.801 7.82229 in (null):W-9999 (6) neighbor-bump: 2.64205 Ang C(44) at 7.187 -12.507 10.321 in (null):I-9999 (5) and CB(47) at 7.67524 -11.801 7.82229 in (null):W-9999 (6) neighbor-bump: 2.95382 Ang CG2(41) at 6.50401 -14.1815 8.81637 in (null):I-9999 (5) and CA(46) at 9.03 -12.655 8.697 in (null):W-9999 (6) neighbor-bump: 1.88692 Ang CG2(41) at 6.50401 -14.1815 8.81637 in (null):I-9999 (5) and N(45) at 7.971 -13.234 9.531 in (null):W-9999 (6) self-bump: 2.3525 Ang CG2(41) at 6.50401 -14.1815 8.81637 in (null):I-9999 (5) and C(44) at 7.187 -12.507 10.321 in (null):I-9999 (5) self-bump: 1.35043 Ang CA(38) at 5.936 -13.124 10.907 in (null):I-9999 (5) and CB(39) at 5.68035 -14.1619 10.0818 in (null):I-9999 (5) Number of specific fragments= 1 total=2564 # 1frb.299.299 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 299 :INMRIWPRV 1frb 300 :LPETVNMEE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.55493 Ang N(45) at 74.854 10.548 22.604 in (null):W-9999 (6) and CD(63) at 74.0105 9.05727 24.4998 in (null):P-9999 (7) other bump:1.64712 Ang O(35) at 75.245 7.983 24.313 in (null):R-9999 (4) and CD(63) at 74.0105 9.05727 24.4998 in (null):P-9999 (7) other bump:2.51045 Ang C(36) at 75.374 7.341 23.276 in (null):R-9999 (4) and CD(63) at 74.0105 9.05727 24.4998 in (null):P-9999 (7) other bump:2.41888 Ang O(35) at 75.245 7.983 24.313 in (null):R-9999 (4) and CG(62) at 72.9586 8.1117 25.092 in (null):P-9999 (7) other bump:3.11864 Ang C(36) at 75.374 7.341 23.276 in (null):R-9999 (4) and CG(62) at 72.9586 8.1117 25.092 in (null):P-9999 (7) other bump:3.29508 Ang CG1(5) at 76.2709 -0.115623 21.3825 in (null):I-9999 (1) and NH1(33) at 74.9944 -0.409925 24.406 in (null):R-9999 (4) other bump:1.92122 Ang CD1(7) at 75.54 -0.711349 22.5887 in (null):I-9999 (1) and NH1(33) at 74.9944 -0.409925 24.406 in (null):R-9999 (4) Number of specific fragments= 1 total=2565 # 2bnh.299.299 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 299 :INMRIWPRV 2bnh 299 :LCESLLQPG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86603 Ang ND2(14) at 1.14249 60.4855 17.9173 in (null):N-9999 (2) and NE1(53) at 1.48983 63.3273 17.7848 in (null):W-9999 (6) other bump:2.95849 Ang CG(13) at 0.741385 60.8099 19.1467 in (null):N-9999 (2) and NE1(53) at 1.48983 63.3273 17.7848 in (null):W-9999 (6) other bump:2.49112 Ang OD1(15) at 0.278293 61.9149 19.441 in (null):N-9999 (2) and NE1(53) at 1.48983 63.3273 17.7848 in (null):W-9999 (6) other bump:2.68879 Ang OD1(15) at 0.278293 61.9149 19.441 in (null):N-9999 (2) and CD1(49) at 2.37104 63.4564 18.7525 in (null):W-9999 (6) other bump:2.68132 Ang CG2(6) at 4.29723 55.623 21.8561 in (null):I-9999 (1) and CD1(42) at 4.70735 56.9648 19.5712 in (null):I-9999 (5) Number of specific fragments= 1 total=2566 # 1dryA.300.300 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 300 :NMRIWPRVV 1dryA 301 :RTDRNGQLS Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.42966 Ang C(50) at 9.689 -12.338 9.435 in (null):W-9999 (5) and CD(55) at 11.0608 -12.6968 9.25273 in (null):P-9999 (6) self-bump: 2.13153 Ang CA(52) at 11.278 -11.57 11.049 in (null):P-9999 (6) and CD(55) at 11.0608 -12.6968 9.25273 in (null):P-9999 (6) neighbor-bump: 1.81392 Ang O(49) at 9.947 -11.372 8.71 in (null):W-9999 (5) and CD(55) at 11.0608 -12.6968 9.25273 in (null):P-9999 (6) neighbor-bump: 2.75397 Ang C(50) at 9.689 -12.338 9.435 in (null):W-9999 (5) and CG(54) at 12.1845 -13.3552 10.0026 in (null):P-9999 (6) self-bump: 2.20973 Ang N(51) at 10.249 -12.481 10.613 in (null):P-9999 (6) and CG(54) at 12.1845 -13.3552 10.0026 in (null):P-9999 (6) neighbor-bump: 2.63526 Ang CG2(33) at 4.92455 -13.5019 9.01625 in (null):I-9999 (4) and CE3(44) at 4.3799 -12.721 6.55897 in (null):W-9999 (5) neighbor-bump: 2.37598 Ang CG2(33) at 4.92455 -13.5019 9.01625 in (null):I-9999 (4) and CD2(42) at 5.30847 -13.7639 6.68618 in (null):W-9999 (5) neighbor-bump: 2.44737 Ang CG2(33) at 4.92455 -13.5019 9.01625 in (null):I-9999 (4) and CG(40) at 6.60983 -13.8722 7.28064 in (null):W-9999 (5) neighbor-bump: 2.78295 Ang CG2(33) at 4.92455 -13.5019 9.01625 in (null):I-9999 (4) and CB(39) at 7.38821 -12.7699 7.94884 in (null):W-9999 (5) other bump:2.7426 Ang CE(15) at 0.520992 -12.7899 12.3843 in (null):M-9999 (2) and CD1(34) at 2.05618 -13.1225 10.1361 in (null):I-9999 (4) other bump:3.02834 Ang SD(14) at 0.795115 -11.0684 11.9696 in (null):M-9999 (2) and CD1(34) at 2.05618 -13.1225 10.1361 in (null):I-9999 (4) Number of specific fragments= 1 total=2567 # 1fnf.300.304 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 300 :NMRIWPRVV 1fnf 1446 :YYRITYGET Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.32505 Ang CA(38) at 23.368 30.929 -47.24 in (null):W-9999 (5) and CD(55) at 23.6156 31.0602 -49.5481 in (null):P-9999 (6) neighbor-bump: 1.73705 Ang C(50) at 24.377 30.319 -48.174 in (null):W-9999 (5) and CD(55) at 23.6156 31.0602 -49.5481 in (null):P-9999 (6) neighbor-bump: 2.59412 Ang C(50) at 24.377 30.319 -48.174 in (null):W-9999 (5) and CG(54) at 23.8079 30.1099 -50.6963 in (null):P-9999 (6) other bump:2.33331 Ang NE(23) at 20.833 32.885 -42.087 in (null):R-9999 (3) and CZ2(46) at 21.7864 34.7289 -43.1525 in (null):W-9999 (5) other bump:2.78086 Ang CZ(24) at 21.785 32.786 -41.163 in (null):R-9999 (3) and CZ2(46) at 21.7864 34.7289 -43.1525 in (null):W-9999 (5) other bump:2.51087 Ang NH2(26) at 22.929 33.431 -41.332 in (null):R-9999 (3) and CZ2(46) at 21.7864 34.7289 -43.1525 in (null):W-9999 (5) other bump:2.5458 Ang CG(21) at 19.159 31.539 -43.253 in (null):R-9999 (3) and NE1(45) at 21.6151 32.2052 -43.3222 in (null):W-9999 (5) other bump:2.47708 Ang CD(22) at 19.526 32.252 -41.992 in (null):R-9999 (3) and NE1(45) at 21.6151 32.2052 -43.3222 in (null):W-9999 (5) other bump:1.61228 Ang NE(23) at 20.833 32.885 -42.087 in (null):R-9999 (3) and NE1(45) at 21.6151 32.2052 -43.3222 in (null):W-9999 (5) other bump:2.24236 Ang CZ(24) at 21.785 32.786 -41.163 in (null):R-9999 (3) and NE1(45) at 21.6151 32.2052 -43.3222 in (null):W-9999 (5) other bump:2.68135 Ang NH2(26) at 22.929 33.431 -41.332 in (null):R-9999 (3) and NE1(45) at 21.6151 32.2052 -43.3222 in (null):W-9999 (5) other bump:2.09971 Ang NE(23) at 20.833 32.885 -42.087 in (null):R-9999 (3) and CE2(43) at 22.1191 33.444 -43.6498 in (null):W-9999 (5) other bump:2.59396 Ang CZ(24) at 21.785 32.786 -41.163 in (null):R-9999 (3) and CE2(43) at 22.1191 33.444 -43.6498 in (null):W-9999 (5) other bump:2.45524 Ang NH2(26) at 22.929 33.431 -41.332 in (null):R-9999 (3) and CE2(43) at 22.1191 33.444 -43.6498 in (null):W-9999 (5) other bump:2.96644 Ang NE(23) at 20.833 32.885 -42.087 in (null):R-9999 (3) and CD1(41) at 22.2693 31.2358 -44.0912 in (null):W-9999 (5) Number of specific fragments= 1 total=2568 # 1drtA.300.300 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 300 :NMRIWPRVV 1drtA 301 :RTDRNGQLS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.3512 Ang O(49) at 9.918 -11.264 8.875 in (null):W-9999 (5) and CD(55) at 11.0948 -13.1646 9.60367 in (null):P-9999 (6) neighbor-bump: 1.73611 Ang C(50) at 9.605 -12.279 9.502 in (null):W-9999 (5) and CD(55) at 11.0948 -13.1646 9.60367 in (null):P-9999 (6) self-bump: 2.19128 Ang CA(52) at 11.175 -11.738 11.265 in (null):P-9999 (6) and CD(55) at 11.0948 -13.1646 9.60367 in (null):P-9999 (6) neighbor-bump: 2.63085 Ang CG2(33) at 6.18603 -14.7258 9.33842 in (null):I-9999 (4) and CD1(41) at 6.99648 -14.8424 6.83823 in (null):W-9999 (5) neighbor-bump: 2.62969 Ang CG2(33) at 6.18603 -14.7258 9.33842 in (null):I-9999 (4) and CG(40) at 6.64477 -13.5372 7.03798 in (null):W-9999 (5) neighbor-bump: 2.82686 Ang CG2(33) at 6.18603 -14.7258 9.33842 in (null):I-9999 (4) and CA(38) at 8.561 -13.248 8.93 in (null):W-9999 (5) neighbor-bump: 2.41692 Ang CB(31) at 5.3732 -14.6624 10.6094 in (null):I-9999 (4) and N(37) at 7.412 -13.687 9.753 in (null):W-9999 (5) neighbor-bump: 1.6595 Ang CG2(33) at 6.18603 -14.7258 9.33842 in (null):I-9999 (4) and N(37) at 7.412 -13.687 9.753 in (null):W-9999 (5) self-bump: 2.32971 Ang CG2(33) at 6.18603 -14.7258 9.33842 in (null):I-9999 (4) and C(36) at 6.833 -12.948 10.698 in (null):I-9999 (4) self-bump: 1.36541 Ang CA(30) at 5.624 -13.58 11.403 in (null):I-9999 (4) and CB(31) at 5.3732 -14.6624 10.6094 in (null):I-9999 (4) Number of specific fragments= 1 total=2569 # 1ds1A.300.300 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 300 :NMRIWPRVV 1ds1A 301 :RTDRNGQLS Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.15425 Ang CA(38) at 9.03 -12.655 8.697 in (null):W-9999 (5) and CD(55) at 10.7422 -11.3532 8.81651 in (null):P-9999 (6) neighbor-bump: 0.789576 Ang O(49) at 10.36 -10.735 8.508 in (null):W-9999 (5) and CD(55) at 10.7422 -11.3532 8.81651 in (null):P-9999 (6) neighbor-bump: 0.894416 Ang C(50) at 10.041 -11.695 9.254 in (null):W-9999 (5) and CD(55) at 10.7422 -11.3532 8.81651 in (null):P-9999 (6) self-bump: 2.12845 Ang CA(52) at 11.603 -10.381 10.503 in (null):P-9999 (6) and CD(55) at 10.7422 -11.3532 8.81651 in (null):P-9999 (6) neighbor-bump: 2.13439 Ang O(49) at 10.36 -10.735 8.508 in (null):W-9999 (5) and CG(54) at 12.1717 -11.8168 8.82915 in (null):P-9999 (6) neighbor-bump: 2.17605 Ang C(50) at 10.041 -11.695 9.254 in (null):W-9999 (5) and CG(54) at 12.1717 -11.8168 8.82915 in (null):P-9999 (6) self-bump: 2.1714 Ang N(51) at 10.704 -11.544 10.406 in (null):P-9999 (6) and CG(54) at 12.1717 -11.8168 8.82915 in (null):P-9999 (6) neighbor-bump: 2.91075 Ang CG2(33) at 6.50401 -14.1815 8.81637 in (null):I-9999 (4) and NE1(45) at 6.02356 -14.5588 5.97045 in (null):W-9999 (5) neighbor-bump: 2.23133 Ang CG2(33) at 6.50401 -14.1815 8.81637 in (null):I-9999 (4) and CD1(41) at 7.07932 -14.0199 6.66655 in (null):W-9999 (5) neighbor-bump: 2.27314 Ang CG2(33) at 6.50401 -14.1815 8.81637 in (null):I-9999 (4) and CG(40) at 6.77864 -12.7501 7.07202 in (null):W-9999 (5) neighbor-bump: 2.83317 Ang CG2(33) at 6.50401 -14.1815 8.81637 in (null):I-9999 (4) and CB(39) at 7.67524 -11.801 7.82229 in (null):W-9999 (5) neighbor-bump: 2.64205 Ang C(36) at 7.187 -12.507 10.321 in (null):I-9999 (4) and CB(39) at 7.67524 -11.801 7.82229 in (null):W-9999 (5) neighbor-bump: 2.95382 Ang CG2(33) at 6.50401 -14.1815 8.81637 in (null):I-9999 (4) and CA(38) at 9.03 -12.655 8.697 in (null):W-9999 (5) neighbor-bump: 1.88692 Ang CG2(33) at 6.50401 -14.1815 8.81637 in (null):I-9999 (4) and N(37) at 7.971 -13.234 9.531 in (null):W-9999 (5) self-bump: 2.3525 Ang CG2(33) at 6.50401 -14.1815 8.81637 in (null):I-9999 (4) and C(36) at 7.187 -12.507 10.321 in (null):I-9999 (4) self-bump: 1.35043 Ang CA(30) at 5.936 -13.124 10.907 in (null):I-9999 (4) and CB(31) at 5.68035 -14.1619 10.0818 in (null):I-9999 (4) Number of specific fragments= 1 total=2570 # 1frb.300.300 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 300 :NMRIWPRVV 1frb 301 :PETVNMEEY Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.15112 Ang C(28) at 75.374 7.341 23.276 in (null):R-9999 (3) and CG2(80) at 75.9421 8.40045 26.1888 in (null):V-9999 (9) other bump:2.04422 Ang O(27) at 75.245 7.983 24.313 in (null):R-9999 (3) and CG2(80) at 75.9421 8.40045 26.1888 in (null):V-9999 (9) other bump:2.64868 Ang CD(55) at 74.0105 9.05727 24.4998 in (null):P-9999 (6) and CG2(80) at 75.9421 8.40045 26.1888 in (null):V-9999 (9) other bump:2.51045 Ang C(28) at 75.374 7.341 23.276 in (null):R-9999 (3) and CD(55) at 74.0105 9.05727 24.4998 in (null):P-9999 (6) other bump:1.64712 Ang O(27) at 75.245 7.983 24.313 in (null):R-9999 (3) and CD(55) at 74.0105 9.05727 24.4998 in (null):P-9999 (6) neighbor-bump: 2.55493 Ang N(37) at 74.854 10.548 22.604 in (null):W-9999 (5) and CD(55) at 74.0105 9.05727 24.4998 in (null):P-9999 (6) other bump:3.11864 Ang C(28) at 75.374 7.341 23.276 in (null):R-9999 (3) and CG(54) at 72.9586 8.1117 25.092 in (null):P-9999 (6) other bump:2.41888 Ang O(27) at 75.245 7.983 24.313 in (null):R-9999 (3) and CG(54) at 72.9586 8.1117 25.092 in (null):P-9999 (6) Number of specific fragments= 1 total=2571 # 2bnh.300.300 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 300 :NMRIWPRVV 2bnh 300 :CESLLQPGC Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86604 Ang ND2(6) at 1.14249 60.4855 17.9173 in (null):N-9999 (1) and NE1(45) at 1.48983 63.3273 17.7848 in (null):W-9999 (5) other bump:2.95848 Ang CG(5) at 0.741389 60.8099 19.1467 in (null):N-9999 (1) and NE1(45) at 1.48983 63.3273 17.7848 in (null):W-9999 (5) other bump:2.49112 Ang OD1(7) at 0.278296 61.9149 19.441 in (null):N-9999 (1) and NE1(45) at 1.48983 63.3273 17.7848 in (null):W-9999 (5) other bump:2.68879 Ang OD1(7) at 0.278296 61.9149 19.441 in (null):N-9999 (1) and CD1(41) at 2.37104 63.4564 18.7525 in (null):W-9999 (5) Number of specific fragments= 1 total=2572 # 1fnf.301.305 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 301 :MRIWPRVVD 1fnf 1447 :YRITYGETG Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.30718 Ang CG1(71) at 35.3767 27.8304 -48.1535 in (null):V-9999 (8) and OD1(79) at 38.195 28.3603 -46.5062 in (null):D-9999 (9) neighbor-bump: 3.13143 Ang CG1(71) at 35.3767 27.8304 -48.1535 in (null):V-9999 (8) and CA(76) at 37.128 30.426 -48.11 in (null):D-9999 (9) neighbor-bump: 1.9958 Ang CG1(71) at 35.3767 27.8304 -48.1535 in (null):V-9999 (8) and N(75) at 35.937 29.708 -48.533 in (null):D-9999 (9) self-bump: 2.36235 Ang CG1(71) at 35.3767 27.8304 -48.1535 in (null):V-9999 (8) and C(74) at 35.706 29.469 -49.823 in (null):V-9999 (8) self-bump: 1.29647 Ang CA(69) at 34.425 28.738 -50.144 in (null):V-9999 (8) and CB(70) at 34.2343 27.9308 -49.1476 in (null):V-9999 (8) neighbor-bump: 2.32505 Ang CA(30) at 23.368 30.929 -47.24 in (null):W-9999 (4) and CD(47) at 23.6156 31.0602 -49.5481 in (null):P-9999 (5) neighbor-bump: 1.73705 Ang C(42) at 24.377 30.319 -48.174 in (null):W-9999 (4) and CD(47) at 23.6156 31.0602 -49.5481 in (null):P-9999 (5) neighbor-bump: 2.59412 Ang C(42) at 24.377 30.319 -48.174 in (null):W-9999 (4) and CG(46) at 23.8079 30.1099 -50.6963 in (null):P-9999 (5) other bump:2.33331 Ang NE(15) at 20.833 32.885 -42.087 in (null):R-9999 (2) and CZ2(38) at 21.7864 34.7289 -43.1525 in (null):W-9999 (4) other bump:2.78086 Ang CZ(16) at 21.785 32.786 -41.163 in (null):R-9999 (2) and CZ2(38) at 21.7864 34.7289 -43.1525 in (null):W-9999 (4) other bump:2.51087 Ang NH2(18) at 22.929 33.431 -41.332 in (null):R-9999 (2) and CZ2(38) at 21.7864 34.7289 -43.1525 in (null):W-9999 (4) other bump:2.5458 Ang CG(13) at 19.159 31.539 -43.253 in (null):R-9999 (2) and NE1(37) at 21.6151 32.2052 -43.3222 in (null):W-9999 (4) other bump:2.47708 Ang CD(14) at 19.526 32.252 -41.992 in (null):R-9999 (2) and NE1(37) at 21.6151 32.2052 -43.3222 in (null):W-9999 (4) other bump:1.61228 Ang NE(15) at 20.833 32.885 -42.087 in (null):R-9999 (2) and NE1(37) at 21.6151 32.2052 -43.3222 in (null):W-9999 (4) other bump:2.24236 Ang CZ(16) at 21.785 32.786 -41.163 in (null):R-9999 (2) and NE1(37) at 21.6151 32.2052 -43.3222 in (null):W-9999 (4) other bump:2.68135 Ang NH2(18) at 22.929 33.431 -41.332 in (null):R-9999 (2) and NE1(37) at 21.6151 32.2052 -43.3222 in (null):W-9999 (4) other bump:2.09971 Ang NE(15) at 20.833 32.885 -42.087 in (null):R-9999 (2) and CE2(35) at 22.1191 33.444 -43.6498 in (null):W-9999 (4) other bump:2.59396 Ang CZ(16) at 21.785 32.786 -41.163 in (null):R-9999 (2) and CE2(35) at 22.1191 33.444 -43.6498 in (null):W-9999 (4) other bump:2.45524 Ang NH2(18) at 22.929 33.431 -41.332 in (null):R-9999 (2) and CE2(35) at 22.1191 33.444 -43.6498 in (null):W-9999 (4) other bump:2.96644 Ang NE(15) at 20.833 32.885 -42.087 in (null):R-9999 (2) and CD1(33) at 22.2693 31.2358 -44.0912 in (null):W-9999 (4) Number of specific fragments= 1 total=2573 # 1dryA.301.301 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 301 :MRIWPRVVD 1dryA 302 :TDRNGQLSG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.03806 Ang O(73) at 15.355 -11.342 19.141 in (null):V-9999 (8) and CG(78) at 15.7318 -11.4758 21.1394 in (null):D-9999 (9) neighbor-bump: 1.81392 Ang O(41) at 9.947 -11.372 8.71 in (null):W-9999 (4) and CD(47) at 11.0608 -12.6968 9.25273 in (null):P-9999 (5) neighbor-bump: 1.42966 Ang C(42) at 9.689 -12.338 9.435 in (null):W-9999 (4) and CD(47) at 11.0608 -12.6968 9.25273 in (null):P-9999 (5) self-bump: 2.13153 Ang CA(44) at 11.278 -11.57 11.049 in (null):P-9999 (5) and CD(47) at 11.0608 -12.6968 9.25273 in (null):P-9999 (5) neighbor-bump: 2.75397 Ang C(42) at 9.689 -12.338 9.435 in (null):W-9999 (4) and CG(46) at 12.1845 -13.3552 10.0026 in (null):P-9999 (5) self-bump: 2.20973 Ang N(43) at 10.249 -12.481 10.613 in (null):P-9999 (5) and CG(46) at 12.1845 -13.3552 10.0026 in (null):P-9999 (5) neighbor-bump: 2.63526 Ang CG2(25) at 4.92455 -13.5019 9.01625 in (null):I-9999 (3) and CE3(36) at 4.3799 -12.721 6.55897 in (null):W-9999 (4) neighbor-bump: 2.37598 Ang CG2(25) at 4.92455 -13.5019 9.01625 in (null):I-9999 (3) and CD2(34) at 5.30847 -13.7639 6.68618 in (null):W-9999 (4) neighbor-bump: 2.44737 Ang CG2(25) at 4.92455 -13.5019 9.01625 in (null):I-9999 (3) and CG(32) at 6.60983 -13.8722 7.28064 in (null):W-9999 (4) neighbor-bump: 2.78295 Ang CG2(25) at 4.92455 -13.5019 9.01625 in (null):I-9999 (3) and CB(31) at 7.38821 -12.7699 7.94884 in (null):W-9999 (4) Number of specific fragments= 1 total=2574 # 1drtA.301.301 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 301 :MRIWPRVVD 1drtA 302 :TDRNGQLSG Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.97538 Ang O(73) at 15.349 -10.751 19.272 in (null):V-9999 (8) and CG(78) at 15.3904 -11.4419 21.1222 in (null):D-9999 (9) neighbor-bump: 2.81162 Ang C(74) at 14.303 -10.336 18.777 in (null):V-9999 (8) and CG(78) at 15.3904 -11.4419 21.1222 in (null):D-9999 (9) neighbor-bump: 2.3512 Ang O(41) at 9.918 -11.264 8.875 in (null):W-9999 (4) and CD(47) at 11.0948 -13.1646 9.60367 in (null):P-9999 (5) neighbor-bump: 1.73611 Ang C(42) at 9.605 -12.279 9.502 in (null):W-9999 (4) and CD(47) at 11.0948 -13.1646 9.60367 in (null):P-9999 (5) self-bump: 2.19128 Ang CA(44) at 11.175 -11.738 11.265 in (null):P-9999 (5) and CD(47) at 11.0948 -13.1646 9.60367 in (null):P-9999 (5) neighbor-bump: 2.63085 Ang CG2(25) at 6.18603 -14.7258 9.33842 in (null):I-9999 (3) and CD1(33) at 6.99648 -14.8424 6.83823 in (null):W-9999 (4) neighbor-bump: 2.62969 Ang CG2(25) at 6.18603 -14.7258 9.33842 in (null):I-9999 (3) and CG(32) at 6.64477 -13.5372 7.03798 in (null):W-9999 (4) neighbor-bump: 2.82686 Ang CG2(25) at 6.18603 -14.7258 9.33842 in (null):I-9999 (3) and CA(30) at 8.561 -13.248 8.93 in (null):W-9999 (4) neighbor-bump: 2.41692 Ang CB(23) at 5.3732 -14.6624 10.6094 in (null):I-9999 (3) and N(29) at 7.412 -13.687 9.753 in (null):W-9999 (4) neighbor-bump: 1.6595 Ang CG2(25) at 6.18603 -14.7258 9.33842 in (null):I-9999 (3) and N(29) at 7.412 -13.687 9.753 in (null):W-9999 (4) self-bump: 2.32971 Ang CG2(25) at 6.18603 -14.7258 9.33842 in (null):I-9999 (3) and C(28) at 6.833 -12.948 10.698 in (null):I-9999 (3) self-bump: 1.36541 Ang CA(22) at 5.624 -13.58 11.403 in (null):I-9999 (3) and CB(23) at 5.3732 -14.6624 10.6094 in (null):I-9999 (3) Number of specific fragments= 1 total=2575 # 1frb.301.301 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 301 :MRIWPRVVD 1frb 302 :ETVNMEEYP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64869 Ang CD(47) at 74.0105 9.05728 24.4997 in (null):P-9999 (5) and CG2(72) at 75.9421 8.40045 26.1888 in (null):V-9999 (8) other bump:2.04422 Ang O(19) at 75.245 7.983 24.313 in (null):R-9999 (2) and CG2(72) at 75.9421 8.40045 26.1888 in (null):V-9999 (8) other bump:3.15112 Ang C(20) at 75.374 7.341 23.276 in (null):R-9999 (2) and CG2(72) at 75.9421 8.40045 26.1888 in (null):V-9999 (8) neighbor-bump: 2.55493 Ang N(29) at 74.854 10.548 22.604 in (null):W-9999 (4) and CD(47) at 74.0105 9.05728 24.4997 in (null):P-9999 (5) other bump:1.64712 Ang O(19) at 75.245 7.983 24.313 in (null):R-9999 (2) and CD(47) at 74.0105 9.05728 24.4997 in (null):P-9999 (5) other bump:2.51045 Ang C(20) at 75.374 7.341 23.276 in (null):R-9999 (2) and CD(47) at 74.0105 9.05728 24.4997 in (null):P-9999 (5) other bump:2.41888 Ang O(19) at 75.245 7.983 24.313 in (null):R-9999 (2) and CG(46) at 72.9586 8.11171 25.092 in (null):P-9999 (5) other bump:3.11864 Ang C(20) at 75.374 7.341 23.276 in (null):R-9999 (2) and CG(46) at 72.9586 8.11171 25.092 in (null):P-9999 (5) Number of specific fragments= 1 total=2576 # 1ds1A.301.301 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 301 :MRIWPRVVD 1ds1A 302 :TDRNGQLSG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.22051 Ang O(73) at 15.557 -10.449 18.946 in (null):V-9999 (8) and CG(78) at 15.8996 -10.5071 21.1391 in (null):D-9999 (9) neighbor-bump: 2.15425 Ang CA(30) at 9.03 -12.655 8.697 in (null):W-9999 (4) and CD(47) at 10.7422 -11.3532 8.81651 in (null):P-9999 (5) neighbor-bump: 0.789576 Ang O(41) at 10.36 -10.735 8.508 in (null):W-9999 (4) and CD(47) at 10.7422 -11.3532 8.81651 in (null):P-9999 (5) neighbor-bump: 0.894416 Ang C(42) at 10.041 -11.695 9.254 in (null):W-9999 (4) and CD(47) at 10.7422 -11.3532 8.81651 in (null):P-9999 (5) self-bump: 2.12845 Ang CA(44) at 11.603 -10.381 10.503 in (null):P-9999 (5) and CD(47) at 10.7422 -11.3532 8.81651 in (null):P-9999 (5) neighbor-bump: 2.13439 Ang O(41) at 10.36 -10.735 8.508 in (null):W-9999 (4) and CG(46) at 12.1717 -11.8168 8.82915 in (null):P-9999 (5) neighbor-bump: 2.17605 Ang C(42) at 10.041 -11.695 9.254 in (null):W-9999 (4) and CG(46) at 12.1717 -11.8168 8.82915 in (null):P-9999 (5) self-bump: 2.1714 Ang N(43) at 10.704 -11.544 10.406 in (null):P-9999 (5) and CG(46) at 12.1717 -11.8168 8.82915 in (null):P-9999 (5) neighbor-bump: 2.91075 Ang CG2(25) at 6.50401 -14.1815 8.81637 in (null):I-9999 (3) and NE1(37) at 6.02356 -14.5588 5.97045 in (null):W-9999 (4) neighbor-bump: 2.23133 Ang CG2(25) at 6.50401 -14.1815 8.81637 in (null):I-9999 (3) and CD1(33) at 7.07932 -14.0199 6.66655 in (null):W-9999 (4) neighbor-bump: 2.27314 Ang CG2(25) at 6.50401 -14.1815 8.81637 in (null):I-9999 (3) and CG(32) at 6.77864 -12.7501 7.07202 in (null):W-9999 (4) neighbor-bump: 2.83317 Ang CG2(25) at 6.50401 -14.1815 8.81637 in (null):I-9999 (3) and CB(31) at 7.67524 -11.801 7.82229 in (null):W-9999 (4) neighbor-bump: 2.64205 Ang C(28) at 7.187 -12.507 10.321 in (null):I-9999 (3) and CB(31) at 7.67524 -11.801 7.82229 in (null):W-9999 (4) neighbor-bump: 2.95382 Ang CG2(25) at 6.50401 -14.1815 8.81637 in (null):I-9999 (3) and CA(30) at 9.03 -12.655 8.697 in (null):W-9999 (4) neighbor-bump: 1.88692 Ang CG2(25) at 6.50401 -14.1815 8.81637 in (null):I-9999 (3) and N(29) at 7.971 -13.234 9.531 in (null):W-9999 (4) self-bump: 2.3525 Ang CG2(25) at 6.50401 -14.1815 8.81637 in (null):I-9999 (3) and C(28) at 7.187 -12.507 10.321 in (null):I-9999 (3) self-bump: 1.35043 Ang CA(22) at 5.936 -13.124 10.907 in (null):I-9999 (3) and CB(23) at 5.68035 -14.1619 10.0818 in (null):I-9999 (3) Number of specific fragments= 1 total=2577 # 2bnh.301.301 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 301 :MRIWPRVVD 2bnh 301 :ESLLQPGCQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9337 Ang NH1(17) at 10.6907 57.8243 22.6845 in (null):R-9999 (2) and CG1(71) at 10.9382 59.6168 20.3753 in (null):V-9999 (8) Number of specific fragments= 1 total=2578 # 1fnf.302.306 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 302 :RIWPRVVDG 1fnf 1448 :RITYGETGG Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5921 Ang CG1(63) at 35.3767 27.8304 -48.1535 in (null):V-9999 (7) and OD1(71) at 37.762 27.9074 -47.1418 in (null):D-9999 (8) neighbor-bump: 2.9269 Ang CG1(63) at 35.3767 27.8304 -48.1535 in (null):V-9999 (7) and CG(70) at 38.2932 28.0478 -48.2685 in (null):D-9999 (8) neighbor-bump: 2.65653 Ang C(66) at 35.706 29.469 -49.823 in (null):V-9999 (7) and CB(69) at 38.2121 29.401 -48.9443 in (null):D-9999 (8) neighbor-bump: 3.13143 Ang CG1(63) at 35.3767 27.8304 -48.1535 in (null):V-9999 (7) and CA(68) at 37.128 30.426 -48.11 in (null):D-9999 (8) neighbor-bump: 1.9958 Ang CG1(63) at 35.3767 27.8304 -48.1535 in (null):V-9999 (7) and N(67) at 35.937 29.708 -48.533 in (null):D-9999 (8) self-bump: 2.36235 Ang CG1(63) at 35.3767 27.8304 -48.1535 in (null):V-9999 (7) and C(66) at 35.706 29.469 -49.823 in (null):V-9999 (7) self-bump: 1.29647 Ang CA(61) at 34.425 28.738 -50.144 in (null):V-9999 (7) and CB(62) at 34.2343 27.9308 -49.1476 in (null):V-9999 (7) neighbor-bump: 1.73705 Ang C(34) at 24.377 30.319 -48.174 in (null):W-9999 (3) and CD(39) at 23.6156 31.0602 -49.5481 in (null):P-9999 (4) neighbor-bump: 2.32505 Ang CA(22) at 23.368 30.929 -47.24 in (null):W-9999 (3) and CD(39) at 23.6156 31.0602 -49.5481 in (null):P-9999 (4) neighbor-bump: 2.59412 Ang C(34) at 24.377 30.319 -48.174 in (null):W-9999 (3) and CG(38) at 23.8079 30.1099 -50.6963 in (null):P-9999 (4) other bump:2.33331 Ang NE(7) at 20.833 32.885 -42.087 in (null):R-9999 (1) and CZ2(30) at 21.7864 34.7289 -43.1525 in (null):W-9999 (3) other bump:2.78086 Ang CZ(8) at 21.785 32.786 -41.163 in (null):R-9999 (1) and CZ2(30) at 21.7864 34.7289 -43.1525 in (null):W-9999 (3) other bump:2.51087 Ang NH2(10) at 22.929 33.431 -41.332 in (null):R-9999 (1) and CZ2(30) at 21.7864 34.7289 -43.1525 in (null):W-9999 (3) other bump:2.5458 Ang CG(5) at 19.159 31.539 -43.253 in (null):R-9999 (1) and NE1(29) at 21.6151 32.2052 -43.3222 in (null):W-9999 (3) other bump:2.47708 Ang CD(6) at 19.526 32.252 -41.992 in (null):R-9999 (1) and NE1(29) at 21.6151 32.2052 -43.3222 in (null):W-9999 (3) other bump:1.61228 Ang NE(7) at 20.833 32.885 -42.087 in (null):R-9999 (1) and NE1(29) at 21.6151 32.2052 -43.3222 in (null):W-9999 (3) other bump:2.24236 Ang CZ(8) at 21.785 32.786 -41.163 in (null):R-9999 (1) and NE1(29) at 21.6151 32.2052 -43.3222 in (null):W-9999 (3) other bump:2.68135 Ang NH2(10) at 22.929 33.431 -41.332 in (null):R-9999 (1) and NE1(29) at 21.6151 32.2052 -43.3222 in (null):W-9999 (3) other bump:2.09971 Ang NE(7) at 20.833 32.885 -42.087 in (null):R-9999 (1) and CE2(27) at 22.1191 33.444 -43.6498 in (null):W-9999 (3) other bump:2.59396 Ang CZ(8) at 21.785 32.786 -41.163 in (null):R-9999 (1) and CE2(27) at 22.1191 33.444 -43.6498 in (null):W-9999 (3) other bump:2.45524 Ang NH2(10) at 22.929 33.431 -41.332 in (null):R-9999 (1) and CE2(27) at 22.1191 33.444 -43.6498 in (null):W-9999 (3) other bump:2.96644 Ang NE(7) at 20.833 32.885 -42.087 in (null):R-9999 (1) and CD1(25) at 22.2693 31.2358 -44.0912 in (null):W-9999 (3) Number of specific fragments= 1 total=2579 # 1dryA.302.302 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 302 :RIWPRVVDG 1dryA 303 :DRNGQLSGG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.03806 Ang O(65) at 15.355 -11.342 19.141 in (null):V-9999 (7) and CG(70) at 15.7318 -11.4758 21.1394 in (null):D-9999 (8) neighbor-bump: 1.81392 Ang O(33) at 9.947 -11.372 8.71 in (null):W-9999 (3) and CD(39) at 11.0608 -12.6968 9.25273 in (null):P-9999 (4) neighbor-bump: 1.42966 Ang C(34) at 9.689 -12.338 9.435 in (null):W-9999 (3) and CD(39) at 11.0608 -12.6968 9.25273 in (null):P-9999 (4) self-bump: 2.13153 Ang CA(36) at 11.278 -11.57 11.049 in (null):P-9999 (4) and CD(39) at 11.0608 -12.6968 9.25273 in (null):P-9999 (4) neighbor-bump: 2.75397 Ang C(34) at 9.689 -12.338 9.435 in (null):W-9999 (3) and CG(38) at 12.1845 -13.3552 10.0026 in (null):P-9999 (4) self-bump: 2.20973 Ang N(35) at 10.249 -12.481 10.613 in (null):P-9999 (4) and CG(38) at 12.1845 -13.3552 10.0026 in (null):P-9999 (4) neighbor-bump: 2.63526 Ang CG2(17) at 4.92455 -13.5019 9.01625 in (null):I-9999 (2) and CE3(28) at 4.3799 -12.721 6.55897 in (null):W-9999 (3) neighbor-bump: 2.37598 Ang CG2(17) at 4.92455 -13.5019 9.01625 in (null):I-9999 (2) and CD2(26) at 5.30847 -13.7639 6.68618 in (null):W-9999 (3) neighbor-bump: 2.44737 Ang CG2(17) at 4.92455 -13.5019 9.01625 in (null):I-9999 (2) and CG(24) at 6.60983 -13.8722 7.28064 in (null):W-9999 (3) neighbor-bump: 2.78295 Ang CG2(17) at 4.92455 -13.5019 9.01625 in (null):I-9999 (2) and CB(23) at 7.38821 -12.7699 7.94884 in (null):W-9999 (3) Number of specific fragments= 1 total=2580 # 1drtA.302.302 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 302 :RIWPRVVDG 1drtA 303 :DRNGQLSGG Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.97538 Ang O(65) at 15.349 -10.751 19.272 in (null):V-9999 (7) and CG(70) at 15.3904 -11.4419 21.1222 in (null):D-9999 (8) neighbor-bump: 2.81162 Ang C(66) at 14.303 -10.336 18.777 in (null):V-9999 (7) and CG(70) at 15.3904 -11.4419 21.1222 in (null):D-9999 (8) neighbor-bump: 2.3512 Ang O(33) at 9.918 -11.264 8.875 in (null):W-9999 (3) and CD(39) at 11.0948 -13.1646 9.60368 in (null):P-9999 (4) neighbor-bump: 1.73611 Ang C(34) at 9.605 -12.279 9.502 in (null):W-9999 (3) and CD(39) at 11.0948 -13.1646 9.60368 in (null):P-9999 (4) self-bump: 2.19128 Ang CA(36) at 11.175 -11.738 11.265 in (null):P-9999 (4) and CD(39) at 11.0948 -13.1646 9.60368 in (null):P-9999 (4) neighbor-bump: 2.63085 Ang CG2(17) at 6.18603 -14.7258 9.33842 in (null):I-9999 (2) and CD1(25) at 6.99649 -14.8424 6.83823 in (null):W-9999 (3) neighbor-bump: 2.62969 Ang CG2(17) at 6.18603 -14.7258 9.33842 in (null):I-9999 (2) and CG(24) at 6.64477 -13.5372 7.03798 in (null):W-9999 (3) neighbor-bump: 2.82686 Ang CG2(17) at 6.18603 -14.7258 9.33842 in (null):I-9999 (2) and CA(22) at 8.561 -13.248 8.93 in (null):W-9999 (3) neighbor-bump: 2.41692 Ang CB(15) at 5.3732 -14.6624 10.6094 in (null):I-9999 (2) and N(21) at 7.412 -13.687 9.753 in (null):W-9999 (3) neighbor-bump: 1.6595 Ang CG2(17) at 6.18603 -14.7258 9.33842 in (null):I-9999 (2) and N(21) at 7.412 -13.687 9.753 in (null):W-9999 (3) self-bump: 2.32971 Ang CG2(17) at 6.18603 -14.7258 9.33842 in (null):I-9999 (2) and C(20) at 6.833 -12.948 10.698 in (null):I-9999 (2) self-bump: 1.36541 Ang CA(14) at 5.624 -13.58 11.403 in (null):I-9999 (2) and CB(15) at 5.3732 -14.6624 10.6094 in (null):I-9999 (2) Number of specific fragments= 1 total=2581 # 1frb.302.302 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 302 :RIWPRVVDG 1frb 303 :TVNMEEYPY Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04422 Ang O(11) at 75.245 7.983 24.313 in (null):R-9999 (1) and CG2(64) at 75.9421 8.40045 26.1888 in (null):V-9999 (7) other bump:3.15112 Ang C(12) at 75.374 7.341 23.276 in (null):R-9999 (1) and CG2(64) at 75.9421 8.40045 26.1888 in (null):V-9999 (7) other bump:2.64869 Ang CD(39) at 74.0105 9.05728 24.4998 in (null):P-9999 (4) and CG2(64) at 75.9421 8.40045 26.1888 in (null):V-9999 (7) other bump:1.64713 Ang O(11) at 75.245 7.983 24.313 in (null):R-9999 (1) and CD(39) at 74.0105 9.05728 24.4998 in (null):P-9999 (4) other bump:2.51046 Ang C(12) at 75.374 7.341 23.276 in (null):R-9999 (1) and CD(39) at 74.0105 9.05728 24.4998 in (null):P-9999 (4) neighbor-bump: 2.55493 Ang N(21) at 74.854 10.548 22.604 in (null):W-9999 (3) and CD(39) at 74.0105 9.05728 24.4998 in (null):P-9999 (4) other bump:2.41889 Ang O(11) at 75.245 7.983 24.313 in (null):R-9999 (1) and CG(38) at 72.9586 8.11171 25.092 in (null):P-9999 (4) other bump:3.11865 Ang C(12) at 75.374 7.341 23.276 in (null):R-9999 (1) and CG(38) at 72.9586 8.11171 25.092 in (null):P-9999 (4) Number of specific fragments= 1 total=2582 # 2bnh.302.302 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 302 :RIWPRVVDG 2bnh 302 :SLLQPGCQL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46696 Ang NH1(9) at 10.1113 57.828 21.8594 in (null):R-9999 (1) and CG1(63) at 10.9382 59.6168 20.3753 in (null):V-9999 (7) Number of specific fragments= 1 total=2583 # 1ds1A.302.302 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 302 :RIWPRVVDG 1ds1A 303 :DRNGQLSGG Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.2205 Ang O(65) at 15.557 -10.449 18.946 in (null):V-9999 (7) and CG(70) at 15.8996 -10.5071 21.1391 in (null):D-9999 (8) neighbor-bump: 2.15425 Ang CA(22) at 9.03 -12.655 8.697 in (null):W-9999 (3) and CD(39) at 10.7422 -11.3532 8.81651 in (null):P-9999 (4) neighbor-bump: 0.789575 Ang O(33) at 10.36 -10.735 8.508 in (null):W-9999 (3) and CD(39) at 10.7422 -11.3532 8.81651 in (null):P-9999 (4) neighbor-bump: 0.894416 Ang C(34) at 10.041 -11.695 9.254 in (null):W-9999 (3) and CD(39) at 10.7422 -11.3532 8.81651 in (null):P-9999 (4) self-bump: 2.12844 Ang CA(36) at 11.603 -10.381 10.503 in (null):P-9999 (4) and CD(39) at 10.7422 -11.3532 8.81651 in (null):P-9999 (4) neighbor-bump: 2.13439 Ang O(33) at 10.36 -10.735 8.508 in (null):W-9999 (3) and CG(38) at 12.1717 -11.8168 8.82915 in (null):P-9999 (4) neighbor-bump: 2.17605 Ang C(34) at 10.041 -11.695 9.254 in (null):W-9999 (3) and CG(38) at 12.1717 -11.8168 8.82915 in (null):P-9999 (4) self-bump: 2.1714 Ang N(35) at 10.704 -11.544 10.406 in (null):P-9999 (4) and CG(38) at 12.1717 -11.8168 8.82915 in (null):P-9999 (4) neighbor-bump: 2.91076 Ang CG2(17) at 6.50401 -14.1815 8.81638 in (null):I-9999 (2) and NE1(29) at 6.02356 -14.5588 5.97045 in (null):W-9999 (3) neighbor-bump: 2.23133 Ang CG2(17) at 6.50401 -14.1815 8.81638 in (null):I-9999 (2) and CD1(25) at 7.07932 -14.0199 6.66655 in (null):W-9999 (3) neighbor-bump: 2.27314 Ang CG2(17) at 6.50401 -14.1815 8.81638 in (null):I-9999 (2) and CG(24) at 6.77864 -12.7501 7.07202 in (null):W-9999 (3) neighbor-bump: 2.83317 Ang CG2(17) at 6.50401 -14.1815 8.81638 in (null):I-9999 (2) and CB(23) at 7.67523 -11.801 7.82229 in (null):W-9999 (3) neighbor-bump: 2.64205 Ang C(20) at 7.187 -12.507 10.321 in (null):I-9999 (2) and CB(23) at 7.67523 -11.801 7.82229 in (null):W-9999 (3) neighbor-bump: 2.95382 Ang CG2(17) at 6.50401 -14.1815 8.81638 in (null):I-9999 (2) and CA(22) at 9.03 -12.655 8.697 in (null):W-9999 (3) neighbor-bump: 1.88692 Ang CG2(17) at 6.50401 -14.1815 8.81638 in (null):I-9999 (2) and N(21) at 7.971 -13.234 9.531 in (null):W-9999 (3) self-bump: 2.3525 Ang CG2(17) at 6.50401 -14.1815 8.81638 in (null):I-9999 (2) and C(20) at 7.187 -12.507 10.321 in (null):I-9999 (2) self-bump: 1.35043 Ang CA(14) at 5.936 -13.124 10.907 in (null):I-9999 (2) and CB(15) at 5.68036 -14.1619 10.0818 in (null):I-9999 (2) Number of specific fragments= 1 total=2584 # 1fnf.303.307 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 303 :IWPRVVDGV 1fnf 1449 :ITYGETGGN Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5921 Ang CG1(52) at 35.3767 27.8304 -48.1535 in (null):V-9999 (6) and OD1(60) at 37.762 27.9074 -47.1418 in (null):D-9999 (7) neighbor-bump: 2.9269 Ang CG1(52) at 35.3767 27.8304 -48.1535 in (null):V-9999 (6) and CG(59) at 38.2932 28.0478 -48.2685 in (null):D-9999 (7) neighbor-bump: 2.65653 Ang C(55) at 35.706 29.469 -49.823 in (null):V-9999 (6) and CB(58) at 38.2121 29.401 -48.9443 in (null):D-9999 (7) neighbor-bump: 3.13143 Ang CG1(52) at 35.3767 27.8304 -48.1535 in (null):V-9999 (6) and CA(57) at 37.128 30.426 -48.11 in (null):D-9999 (7) neighbor-bump: 1.9958 Ang CG1(52) at 35.3767 27.8304 -48.1535 in (null):V-9999 (6) and N(56) at 35.937 29.708 -48.533 in (null):D-9999 (7) self-bump: 2.36235 Ang CG1(52) at 35.3767 27.8304 -48.1535 in (null):V-9999 (6) and C(55) at 35.706 29.469 -49.823 in (null):V-9999 (6) self-bump: 1.29647 Ang CA(50) at 34.425 28.738 -50.144 in (null):V-9999 (6) and CB(51) at 34.2343 27.9308 -49.1476 in (null):V-9999 (6) neighbor-bump: 1.73705 Ang C(23) at 24.377 30.319 -48.174 in (null):W-9999 (2) and CD(28) at 23.6156 31.0602 -49.5481 in (null):P-9999 (3) neighbor-bump: 2.32505 Ang CA(11) at 23.368 30.929 -47.24 in (null):W-9999 (2) and CD(28) at 23.6156 31.0602 -49.5481 in (null):P-9999 (3) neighbor-bump: 2.59412 Ang C(23) at 24.377 30.319 -48.174 in (null):W-9999 (2) and CG(27) at 23.8079 30.1099 -50.6963 in (null):P-9999 (3) Number of specific fragments= 1 total=2585 # 1dryA.303.303 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 303 :IWPRVVDGV 1dryA 304 :RNGQLSGGE Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.03806 Ang O(54) at 15.355 -11.342 19.141 in (null):V-9999 (6) and CG(59) at 15.7318 -11.4758 21.1394 in (null):D-9999 (7) neighbor-bump: 1.42966 Ang C(23) at 9.689 -12.338 9.435 in (null):W-9999 (2) and CD(28) at 11.0609 -12.6968 9.25273 in (null):P-9999 (3) neighbor-bump: 1.81392 Ang O(22) at 9.947 -11.372 8.71 in (null):W-9999 (2) and CD(28) at 11.0609 -12.6968 9.25273 in (null):P-9999 (3) self-bump: 2.13153 Ang CA(25) at 11.278 -11.57 11.049 in (null):P-9999 (3) and CD(28) at 11.0609 -12.6968 9.25273 in (null):P-9999 (3) neighbor-bump: 2.75397 Ang C(23) at 9.689 -12.338 9.435 in (null):W-9999 (2) and CG(27) at 12.1845 -13.3552 10.0026 in (null):P-9999 (3) self-bump: 2.20973 Ang N(24) at 10.249 -12.481 10.613 in (null):P-9999 (3) and CG(27) at 12.1845 -13.3552 10.0026 in (null):P-9999 (3) neighbor-bump: 2.64991 Ang CG2(6) at 4.79833 -13.5452 9.04247 in (null):I-9999 (1) and CE3(17) at 4.37989 -12.721 6.55899 in (null):W-9999 (2) neighbor-bump: 2.42076 Ang CG2(6) at 4.79833 -13.5452 9.04247 in (null):I-9999 (1) and CD2(15) at 5.30846 -13.7639 6.68619 in (null):W-9999 (2) neighbor-bump: 2.54803 Ang CG2(6) at 4.79833 -13.5452 9.04247 in (null):I-9999 (1) and CG(13) at 6.60982 -13.8722 7.28065 in (null):W-9999 (2) Number of specific fragments= 1 total=2586 # 1drtA.303.303 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 303 :IWPRVVDGV 1drtA 304 :RNGQLSGGE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.97538 Ang O(54) at 15.349 -10.751 19.272 in (null):V-9999 (6) and CG(59) at 15.3904 -11.4419 21.1222 in (null):D-9999 (7) neighbor-bump: 2.81162 Ang C(55) at 14.303 -10.336 18.777 in (null):V-9999 (6) and CG(59) at 15.3904 -11.4419 21.1222 in (null):D-9999 (7) neighbor-bump: 1.73611 Ang C(23) at 9.605 -12.279 9.502 in (null):W-9999 (2) and CD(28) at 11.0948 -13.1646 9.60367 in (null):P-9999 (3) neighbor-bump: 2.3512 Ang O(22) at 9.918 -11.264 8.875 in (null):W-9999 (2) and CD(28) at 11.0948 -13.1646 9.60367 in (null):P-9999 (3) self-bump: 2.19128 Ang CA(25) at 11.175 -11.738 11.265 in (null):P-9999 (3) and CD(28) at 11.0948 -13.1646 9.60367 in (null):P-9999 (3) neighbor-bump: 3.1674 Ang CG2(6) at 4.38291 -13.1669 9.16747 in (null):I-9999 (1) and CE3(17) at 4.56096 -12.2427 6.14312 in (null):W-9999 (2) neighbor-bump: 3.12857 Ang CG2(6) at 4.38291 -13.1669 9.16747 in (null):I-9999 (1) and CG(13) at 6.64478 -13.5372 7.03797 in (null):W-9999 (2) Number of specific fragments= 1 total=2587 # 2bnh.303.303 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 303 :IWPRVVDGV 2bnh 303 :LLQPGCQLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2588 # 1frb.303.303 read from T0147_twice.t2k.frag # found chain 1frb in template set T0147_twice 303 :IWPRVVDGV 1frb 304 :VNMEEYPYD Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04422 Ang O(0) at 75.245 7.983 24.313 in (null):G-9999 (0) and CG2(53) at 75.9421 8.40045 26.1888 in (null):V-9999 (6) other bump:3.15112 Ang C(1) at 75.374 7.341 23.276 in (null):G-9999 (0) and CG2(53) at 75.9421 8.40045 26.1888 in (null):V-9999 (6) other bump:2.64868 Ang CD(28) at 74.0105 9.05727 24.4998 in (null):P-9999 (3) and CG2(53) at 75.9421 8.40045 26.1888 in (null):V-9999 (6) other bump:1.64712 Ang O(0) at 75.245 7.983 24.313 in (null):G-9999 (0) and CD(28) at 74.0105 9.05727 24.4998 in (null):P-9999 (3) other bump:2.51045 Ang C(1) at 75.374 7.341 23.276 in (null):G-9999 (0) and CD(28) at 74.0105 9.05727 24.4998 in (null):P-9999 (3) neighbor-bump: 2.55493 Ang N(10) at 74.854 10.548 22.604 in (null):W-9999 (2) and CD(28) at 74.0105 9.05727 24.4998 in (null):P-9999 (3) other bump:2.41887 Ang O(0) at 75.245 7.983 24.313 in (null):G-9999 (0) and CG(27) at 72.9586 8.1117 25.092 in (null):P-9999 (3) other bump:3.11864 Ang C(1) at 75.374 7.341 23.276 in (null):G-9999 (0) and CG(27) at 72.9586 8.1117 25.092 in (null):P-9999 (3) Number of specific fragments= 1 total=2589 # 1afrA.303.303 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 303 :IWPRVVDGV 1afrA 322 :KAQDYVCRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2590 # 1fnf.304.308 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 304 :WPRVVDGVG 1fnf 1450 :TYGETGGNS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5921 Ang CG1(44) at 35.3767 27.8304 -48.1535 in (null):V-9999 (5) and OD1(52) at 37.762 27.9074 -47.1418 in (null):D-9999 (6) neighbor-bump: 2.9269 Ang CG1(44) at 35.3767 27.8304 -48.1535 in (null):V-9999 (5) and CG(51) at 38.2932 28.0478 -48.2685 in (null):D-9999 (6) neighbor-bump: 2.65653 Ang C(47) at 35.706 29.469 -49.823 in (null):V-9999 (5) and CB(50) at 38.2121 29.401 -48.9443 in (null):D-9999 (6) neighbor-bump: 3.13143 Ang CG1(44) at 35.3767 27.8304 -48.1535 in (null):V-9999 (5) and CA(49) at 37.128 30.426 -48.11 in (null):D-9999 (6) neighbor-bump: 1.9958 Ang CG1(44) at 35.3767 27.8304 -48.1535 in (null):V-9999 (5) and N(48) at 35.937 29.708 -48.533 in (null):D-9999 (6) self-bump: 2.36235 Ang CG1(44) at 35.3767 27.8304 -48.1535 in (null):V-9999 (5) and C(47) at 35.706 29.469 -49.823 in (null):V-9999 (5) self-bump: 1.29647 Ang CA(42) at 34.425 28.738 -50.144 in (null):V-9999 (5) and CB(43) at 34.2343 27.9308 -49.1476 in (null):V-9999 (5) neighbor-bump: 2.32505 Ang CA(3) at 23.368 30.929 -47.24 in (null):W-9999 (1) and CD(20) at 23.6156 31.0602 -49.5481 in (null):P-9999 (2) neighbor-bump: 1.73704 Ang C(15) at 24.377 30.319 -48.174 in (null):W-9999 (1) and CD(20) at 23.6156 31.0602 -49.5481 in (null):P-9999 (2) neighbor-bump: 2.59411 Ang C(15) at 24.377 30.319 -48.174 in (null):W-9999 (1) and CG(19) at 23.8079 30.1099 -50.6963 in (null):P-9999 (2) Number of specific fragments= 1 total=2591 # 1dryA.304.304 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 304 :WPRVVDGVG 1dryA 305 :NGQLSGGER Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.03806 Ang O(46) at 15.355 -11.342 19.141 in (null):V-9999 (5) and CG(51) at 15.7318 -11.4758 21.1394 in (null):D-9999 (6) neighbor-bump: 1.42966 Ang C(15) at 9.689 -12.338 9.435 in (null):W-9999 (1) and CD(20) at 11.0608 -12.6968 9.25273 in (null):P-9999 (2) neighbor-bump: 1.81392 Ang O(14) at 9.947 -11.372 8.71 in (null):W-9999 (1) and CD(20) at 11.0608 -12.6968 9.25273 in (null):P-9999 (2) self-bump: 2.13153 Ang CA(17) at 11.278 -11.57 11.049 in (null):P-9999 (2) and CD(20) at 11.0608 -12.6968 9.25273 in (null):P-9999 (2) neighbor-bump: 2.75397 Ang C(15) at 9.689 -12.338 9.435 in (null):W-9999 (1) and CG(19) at 12.1845 -13.3552 10.0026 in (null):P-9999 (2) self-bump: 2.20973 Ang N(16) at 10.249 -12.481 10.613 in (null):P-9999 (2) and CG(19) at 12.1845 -13.3552 10.0026 in (null):P-9999 (2) Number of specific fragments= 1 total=2592 # 2bnh.304.304 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 304 :WPRVVDGVG 2bnh 304 :LQPGCQLES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2593 # 1drtA.304.304 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 304 :WPRVVDGVG 1drtA 305 :NGQLSGGER Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.97538 Ang O(46) at 15.349 -10.751 19.272 in (null):V-9999 (5) and CG(51) at 15.3904 -11.4419 21.1222 in (null):D-9999 (6) neighbor-bump: 2.81162 Ang C(47) at 14.303 -10.336 18.777 in (null):V-9999 (5) and CG(51) at 15.3904 -11.4419 21.1222 in (null):D-9999 (6) neighbor-bump: 2.3512 Ang O(14) at 9.918 -11.264 8.875 in (null):W-9999 (1) and CD(20) at 11.0948 -13.1646 9.60368 in (null):P-9999 (2) neighbor-bump: 1.73611 Ang C(15) at 9.605 -12.279 9.502 in (null):W-9999 (1) and CD(20) at 11.0948 -13.1646 9.60368 in (null):P-9999 (2) self-bump: 2.19128 Ang CA(17) at 11.175 -11.738 11.265 in (null):P-9999 (2) and CD(20) at 11.0948 -13.1646 9.60368 in (null):P-9999 (2) Number of specific fragments= 1 total=2594 # 1afrA.304.304 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 304 :WPRVVDGVG 1afrA 323 :AQDYVCRLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2595 # 1ds1A.304.304 read from T0147_twice.t2k.frag # found chain 1ds1A in template set T0147_twice 304 :WPRVVDGVG 1ds1A 305 :NGQLSGGER Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.2205 Ang O(46) at 15.557 -10.449 18.946 in (null):V-9999 (5) and CG(51) at 15.8996 -10.5071 21.1391 in (null):D-9999 (6) neighbor-bump: 2.15425 Ang CA(3) at 9.03 -12.655 8.697 in (null):W-9999 (1) and CD(20) at 10.7422 -11.3532 8.81651 in (null):P-9999 (2) neighbor-bump: 0.789575 Ang O(14) at 10.36 -10.735 8.508 in (null):W-9999 (1) and CD(20) at 10.7422 -11.3532 8.81651 in (null):P-9999 (2) neighbor-bump: 0.894415 Ang C(15) at 10.041 -11.695 9.254 in (null):W-9999 (1) and CD(20) at 10.7422 -11.3532 8.81651 in (null):P-9999 (2) self-bump: 2.12844 Ang CA(17) at 11.603 -10.381 10.503 in (null):P-9999 (2) and CD(20) at 10.7422 -11.3532 8.81651 in (null):P-9999 (2) neighbor-bump: 2.13439 Ang O(14) at 10.36 -10.735 8.508 in (null):W-9999 (1) and CG(19) at 12.1717 -11.8168 8.82915 in (null):P-9999 (2) neighbor-bump: 2.17605 Ang C(15) at 10.041 -11.695 9.254 in (null):W-9999 (1) and CG(19) at 12.1717 -11.8168 8.82915 in (null):P-9999 (2) self-bump: 2.1714 Ang N(16) at 10.704 -11.544 10.406 in (null):P-9999 (2) and CG(19) at 12.1717 -11.8168 8.82915 in (null):P-9999 (2) neighbor-bump: 2.64204 Ang C(1) at 7.187 -12.507 10.321 in (null):G-9999 (0) and CB(4) at 7.67524 -11.801 7.82229 in (null):W-9999 (1) Number of specific fragments= 1 total=2596 # 1fnf.305.309 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 305 :PRVVDGVGI 1fnf 1451 :YGETGGNSP Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.33536 Ang CZ(15) at 26.1886 36.0385 -49.3675 in (null):R-9999 (2) and CA(66) at 27.405 35.317 -47.509 in (null):G-9999 (10) other bump:2.94994 Ang NH2(17) at 25.2847 36.8666 -48.8525 in (null):R-9999 (2) and CA(66) at 27.405 35.317 -47.509 in (null):G-9999 (10) other bump:2.18297 Ang CG(12) at 28.6712 33.9105 -48.5971 in (null):R-9999 (2) and CA(66) at 27.405 35.317 -47.509 in (null):G-9999 (10) other bump:2.22114 Ang CD(13) at 28.5182 35.1985 -49.4274 in (null):R-9999 (2) and CA(66) at 27.405 35.317 -47.509 in (null):G-9999 (10) other bump:1.614 Ang NE(14) at 27.4458 36.0691 -48.9365 in (null):R-9999 (2) and CA(66) at 27.405 35.317 -47.509 in (null):G-9999 (10) other bump:3.0801 Ang CG(12) at 28.6712 33.9105 -48.5971 in (null):R-9999 (2) and N(65) at 28.149 36.351 -46.792 in (null):G-9999 (10) other bump:2.89999 Ang CD(13) at 28.5182 35.1985 -49.4274 in (null):R-9999 (2) and N(65) at 28.149 36.351 -46.792 in (null):G-9999 (10) other bump:2.27438 Ang NE(14) at 27.4458 36.0691 -48.9365 in (null):R-9999 (2) and N(65) at 28.149 36.351 -46.792 in (null):G-9999 (10) other bump:2.91658 Ang CD(13) at 28.5182 35.1985 -49.4274 in (null):R-9999 (2) and C(64) at 28.82 37.306 -47.434 in (null):I-9999 (9) other bump:2.38241 Ang NE(14) at 27.4458 36.0691 -48.9365 in (null):R-9999 (2) and C(64) at 28.82 37.306 -47.434 in (null):I-9999 (9) other bump:2.32749 Ang CD(13) at 28.5182 35.1985 -49.4274 in (null):R-9999 (2) and O(63) at 28.907 37.365 -48.671 in (null):I-9999 (9) neighbor-bump: 2.5921 Ang CG1(30) at 35.3767 27.8304 -48.1535 in (null):V-9999 (4) and OD1(38) at 37.762 27.9074 -47.1418 in (null):D-9999 (5) neighbor-bump: 2.9269 Ang CG1(30) at 35.3767 27.8304 -48.1535 in (null):V-9999 (4) and CG(37) at 38.2932 28.0478 -48.2685 in (null):D-9999 (5) neighbor-bump: 2.65653 Ang C(33) at 35.706 29.469 -49.823 in (null):V-9999 (4) and CB(36) at 38.2121 29.401 -48.9443 in (null):D-9999 (5) neighbor-bump: 3.13143 Ang CG1(30) at 35.3767 27.8304 -48.1535 in (null):V-9999 (4) and CA(35) at 37.128 30.426 -48.11 in (null):D-9999 (5) neighbor-bump: 1.9958 Ang CG1(30) at 35.3767 27.8304 -48.1535 in (null):V-9999 (4) and N(34) at 35.937 29.708 -48.533 in (null):D-9999 (5) self-bump: 2.36235 Ang CG1(30) at 35.3767 27.8304 -48.1535 in (null):V-9999 (4) and C(33) at 35.706 29.469 -49.823 in (null):V-9999 (4) self-bump: 1.29647 Ang CA(28) at 34.425 28.738 -50.144 in (null):V-9999 (4) and CB(29) at 34.2343 27.9308 -49.1476 in (null):V-9999 (4) neighbor-bump: 1.73704 Ang C(1) at 24.377 30.319 -48.174 in (null):G-9999 (0) and CD(6) at 23.6156 31.0602 -49.5481 in (null):P-9999 (1) neighbor-bump: 2.59411 Ang C(1) at 24.377 30.319 -48.174 in (null):G-9999 (0) and CG(5) at 23.8079 30.1099 -50.6963 in (null):P-9999 (1) Number of specific fragments= 1 total=2597 # 1dryA.305.305 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 305 :PRVVDGVGI 1dryA 306 :GQLSGGERA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.03806 Ang O(32) at 15.355 -11.342 19.141 in (null):V-9999 (4) and CG(37) at 15.7318 -11.4758 21.1394 in (null):D-9999 (5) neighbor-bump: 1.7428 Ang O(0) at 9.947 -11.372 8.71 in (null):G-9999 (0) and CD(6) at 11.1733 -12.5098 9.19892 in (null):P-9999 (1) neighbor-bump: 1.51273 Ang C(1) at 9.689 -12.338 9.435 in (null):G-9999 (0) and CD(6) at 11.1733 -12.5098 9.19892 in (null):P-9999 (1) self-bump: 2.07773 Ang CA(3) at 11.278 -11.57 11.049 in (null):P-9999 (1) and CD(6) at 11.1733 -12.5098 9.19892 in (null):P-9999 (1) self-bump: 2.03209 Ang CA(3) at 11.278 -11.57 11.049 in (null):P-9999 (1) and CG(5) at 12.5907 -12.2647 9.66201 in (null):P-9999 (1) Number of specific fragments= 1 total=2598 # 2bnh.305.305 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 305 :PRVVDGVGI 2bnh 305 :QPGCQLESL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2599 # 1afrA.305.305 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 305 :PRVVDGVGI 1afrA 324 :QDYVCRLPP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2600 # 1drtA.305.305 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 305 :PRVVDGVGI 1drtA 306 :GQLSGGERA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.97538 Ang O(32) at 15.349 -10.751 19.272 in (null):V-9999 (4) and CG(37) at 15.3904 -11.4419 21.1222 in (null):D-9999 (5) neighbor-bump: 2.81162 Ang C(33) at 14.303 -10.336 18.777 in (null):V-9999 (4) and CG(37) at 15.3904 -11.4419 21.1222 in (null):D-9999 (5) neighbor-bump: 2.28495 Ang O(0) at 9.918 -11.264 8.875 in (null):G-9999 (0) and CD(6) at 11.2422 -13.0032 9.54049 in (null):P-9999 (1) neighbor-bump: 1.79059 Ang C(1) at 9.605 -12.279 9.502 in (null):G-9999 (0) and CD(6) at 11.2422 -13.0032 9.54049 in (null):P-9999 (1) self-bump: 2.13988 Ang CA(3) at 11.175 -11.738 11.265 in (null):P-9999 (1) and CD(6) at 11.2422 -13.0032 9.54049 in (null):P-9999 (1) self-bump: 2.06509 Ang CA(3) at 11.175 -11.738 11.265 in (null):P-9999 (1) and CG(5) at 12.5996 -12.7281 10.1448 in (null):P-9999 (1) Number of specific fragments= 1 total=2601 # 2bnh.305.306 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 305 :PRVVDGVGI 2bnh 306 :PGCQLESLW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2602 # 1fnf.306.310 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 306 :RVVDGVGIL 1fnf 1452 :GETGGNSPV Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06998 Ang CA(3) at 29.344 32.259 -50.53 in (null):R-9999 (1) and CD2(63) at 28.7513 32.472 -47.5253 in (null):L-9999 (9) other bump:1.93985 Ang CB(4) at 29.7936 32.8334 -49.1209 in (null):R-9999 (1) and CD2(63) at 28.7513 32.472 -47.5253 in (null):L-9999 (9) other bump:2.90228 Ang NE(7) at 30.8846 34.5251 -46.8606 in (null):R-9999 (1) and CG(61) at 28.3433 33.2494 -46.2796 in (null):L-9999 (9) other bump:2.97441 Ang CZ(8) at 30.2667 35.7009 -46.7947 in (null):R-9999 (1) and CA(59) at 27.405 35.317 -47.509 in (null):L-9999 (9) other bump:2.85918 Ang NH2(10) at 29.5349 36.0049 -45.7299 in (null):R-9999 (1) and CA(59) at 27.405 35.317 -47.509 in (null):L-9999 (9) other bump:2.21529 Ang CZ(8) at 30.2667 35.7009 -46.7947 in (null):R-9999 (1) and N(58) at 28.149 36.351 -46.792 in (null):L-9999 (9) other bump:1.78006 Ang NH2(10) at 29.5349 36.0049 -45.7299 in (null):R-9999 (1) and N(58) at 28.149 36.351 -46.792 in (null):L-9999 (9) other bump:2.45205 Ang NH1(9) at 30.3789 36.5728 -47.7875 in (null):R-9999 (1) and N(58) at 28.149 36.351 -46.792 in (null):L-9999 (9) other bump:2.25349 Ang CZ(8) at 30.2667 35.7009 -46.7947 in (null):R-9999 (1) and C(57) at 28.82 37.306 -47.434 in (null):I-9999 (8) other bump:2.26009 Ang NH2(10) at 29.5349 36.0049 -45.7299 in (null):R-9999 (1) and C(57) at 28.82 37.306 -47.434 in (null):I-9999 (8) other bump:1.75859 Ang NH1(9) at 30.3789 36.5728 -47.7875 in (null):R-9999 (1) and C(57) at 28.82 37.306 -47.434 in (null):I-9999 (8) other bump:1.89068 Ang NH1(9) at 30.3789 36.5728 -47.7875 in (null):R-9999 (1) and O(56) at 28.907 37.365 -48.671 in (null):I-9999 (8) other bump:2.74772 Ang CZ(8) at 30.2667 35.7009 -46.7947 in (null):R-9999 (1) and CA(51) at 29.527 38.336 -46.552 in (null):I-9999 (8) other bump:2.47185 Ang NH2(10) at 29.5349 36.0049 -45.7299 in (null):R-9999 (1) and CA(51) at 29.527 38.336 -46.552 in (null):I-9999 (8) other bump:2.31537 Ang NH1(9) at 30.3789 36.5728 -47.7875 in (null):R-9999 (1) and CA(51) at 29.527 38.336 -46.552 in (null):I-9999 (8) other bump:3.01273 Ang CZ(8) at 30.2667 35.7009 -46.7947 in (null):R-9999 (1) and N(50) at 30.902 38.641 -46.964 in (null):I-9999 (8) other bump:2.28674 Ang NH1(9) at 30.3789 36.5728 -47.7875 in (null):R-9999 (1) and N(50) at 30.902 38.641 -46.964 in (null):I-9999 (8) other bump:2.51078 Ang CZ(8) at 30.2667 35.7009 -46.7947 in (null):R-9999 (1) and C(49) at 31.819 37.658 -47.048 in (null):G-9999 (7) other bump:1.94895 Ang NH1(9) at 30.3789 36.5728 -47.7875 in (null):R-9999 (1) and C(49) at 31.819 37.658 -47.048 in (null):G-9999 (7) other bump:1.48267 Ang CZ(8) at 30.2667 35.7009 -46.7947 in (null):R-9999 (1) and O(48) at 31.525 36.485 -46.81 in (null):G-9999 (7) other bump:2.31466 Ang NH2(10) at 29.5349 36.0049 -45.7299 in (null):R-9999 (1) and O(48) at 31.525 36.485 -46.81 in (null):G-9999 (7) other bump:1.50888 Ang NH1(9) at 30.3789 36.5728 -47.7875 in (null):R-9999 (1) and O(48) at 31.525 36.485 -46.81 in (null):G-9999 (7) other bump:2.67545 Ang CD(6) at 31.7145 34.0861 -47.9794 in (null):R-9999 (1) and O(48) at 31.525 36.485 -46.81 in (null):G-9999 (7) neighbor-bump: 2.5921 Ang CG1(23) at 35.3767 27.8304 -48.1535 in (null):V-9999 (3) and OD1(31) at 37.762 27.9074 -47.1418 in (null):D-9999 (4) neighbor-bump: 2.9269 Ang CG1(23) at 35.3767 27.8304 -48.1535 in (null):V-9999 (3) and CG(30) at 38.2932 28.0478 -48.2685 in (null):D-9999 (4) neighbor-bump: 2.65653 Ang C(26) at 35.706 29.469 -49.823 in (null):V-9999 (3) and CB(29) at 38.2121 29.401 -48.9443 in (null):D-9999 (4) neighbor-bump: 3.13143 Ang CG1(23) at 35.3767 27.8304 -48.1535 in (null):V-9999 (3) and CA(28) at 37.128 30.426 -48.11 in (null):D-9999 (4) neighbor-bump: 1.9958 Ang CG1(23) at 35.3767 27.8304 -48.1535 in (null):V-9999 (3) and N(27) at 35.937 29.708 -48.533 in (null):D-9999 (4) self-bump: 2.36235 Ang CG1(23) at 35.3767 27.8304 -48.1535 in (null):V-9999 (3) and C(26) at 35.706 29.469 -49.823 in (null):V-9999 (3) self-bump: 1.29647 Ang CA(21) at 34.425 28.738 -50.144 in (null):V-9999 (3) and CB(22) at 34.2343 27.9308 -49.1476 in (null):V-9999 (3) Number of specific fragments= 1 total=2603 # 2bnh.306.306 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 306 :RVVDGVGIL 2bnh 306 :PGCQLESLW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2604 # 1dryA.306.306 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 306 :RVVDGVGIL 1dryA 307 :QLSGGERAG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.22451 Ang O(56) at 4.225 -1.362 24.217 in (null):I-9999 (8) and CG(61) at 3.14148 0.567461 24.4442 in (null):L-9999 (9) neighbor-bump: 2.50993 Ang C(57) at 4.232 -1.651 23 in (null):I-9999 (8) and CB(60) at 4.59634 0.635837 23.9682 in (null):L-9999 (9) neighbor-bump: 2.04723 Ang O(56) at 4.225 -1.362 24.217 in (null):I-9999 (8) and CB(60) at 4.59634 0.635837 23.9682 in (null):L-9999 (9) neighbor-bump: 2.10855 Ang CG2(54) at 2.76579 -1.64021 21.0712 in (null):I-9999 (8) and N(58) at 4.421 -0.764 22.04 in (null):L-9999 (9) self-bump: 2.42283 Ang CG2(54) at 2.76579 -1.64021 21.0712 in (null):I-9999 (8) and C(57) at 4.232 -1.651 23 in (null):I-9999 (8) self-bump: 1.29632 Ang CA(51) at 3.975 -3.077 22.511 in (null):I-9999 (8) and CB(52) at 3.33581 -3.00265 21.3857 in (null):I-9999 (8) neighbor-bump: 2.03806 Ang O(25) at 15.355 -11.342 19.141 in (null):V-9999 (3) and CG(30) at 15.7318 -11.4758 21.1394 in (null):D-9999 (4) Number of specific fragments= 1 total=2605 # 1afrA.306.306 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 306 :RVVDGVGIL 1afrA 325 :DYVCRLPPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2606 # 1drtA.306.306 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 306 :RVVDGVGIL 1drtA 307 :QLSGGERAG Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.642 Ang O(56) at 3.916 -1.176 24.09 in (null):I-9999 (8) and CD1(62) at 2.91136 0.534101 25.8354 in (null):L-9999 (9) neighbor-bump: 2.78152 Ang C(57) at 4.056 -1.499 22.914 in (null):I-9999 (8) and CG(61) at 2.99239 0.646505 24.3291 in (null):L-9999 (9) neighbor-bump: 2.05711 Ang O(56) at 3.916 -1.176 24.09 in (null):I-9999 (8) and CG(61) at 2.99239 0.646505 24.3291 in (null):L-9999 (9) neighbor-bump: 2.49982 Ang C(57) at 4.056 -1.499 22.914 in (null):I-9999 (8) and CB(60) at 4.45525 0.76774 23.8895 in (null):L-9999 (9) neighbor-bump: 2.0271 Ang O(56) at 3.916 -1.176 24.09 in (null):I-9999 (8) and CB(60) at 4.45525 0.76774 23.8895 in (null):L-9999 (9) neighbor-bump: 2.34916 Ang CG2(54) at 2.52493 -1.64072 20.9752 in (null):I-9999 (8) and N(58) at 4.402 -0.636 21.968 in (null):L-9999 (9) self-bump: 1.32449 Ang CA(51) at 3.839 -2.942 22.469 in (null):I-9999 (8) and CB(52) at 3.17257 -2.95927 21.3245 in (null):I-9999 (8) neighbor-bump: 1.97538 Ang O(25) at 15.349 -10.751 19.272 in (null):V-9999 (3) and CG(30) at 15.3904 -11.4419 21.1222 in (null):D-9999 (4) neighbor-bump: 2.81162 Ang C(26) at 14.303 -10.336 18.777 in (null):V-9999 (3) and CG(30) at 15.3904 -11.4419 21.1222 in (null):D-9999 (4) Number of specific fragments= 1 total=2607 # 2bnh.306.307 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 306 :RVVDGVGIL 2bnh 307 :GCQLESLWV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2608 # 1fnf.307.311 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 307 :VVDGVGILR 1fnf 1453 :ETGGNSPVQ Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5921 Ang CG1(12) at 35.3767 27.8304 -48.1535 in (null):V-9999 (2) and OD1(20) at 37.762 27.9074 -47.1418 in (null):D-9999 (3) neighbor-bump: 2.92689 Ang CG1(12) at 35.3767 27.8304 -48.1535 in (null):V-9999 (2) and CG(19) at 38.2932 28.0478 -48.2685 in (null):D-9999 (3) neighbor-bump: 2.65653 Ang C(15) at 35.706 29.469 -49.823 in (null):V-9999 (2) and CB(18) at 38.2121 29.401 -48.9443 in (null):D-9999 (3) neighbor-bump: 3.13144 Ang CG1(12) at 35.3767 27.8304 -48.1535 in (null):V-9999 (2) and CA(17) at 37.128 30.426 -48.11 in (null):D-9999 (3) neighbor-bump: 1.9958 Ang CG1(12) at 35.3767 27.8304 -48.1535 in (null):V-9999 (2) and N(16) at 35.937 29.708 -48.533 in (null):D-9999 (3) self-bump: 2.36235 Ang CG1(12) at 35.3767 27.8304 -48.1535 in (null):V-9999 (2) and C(15) at 35.706 29.469 -49.823 in (null):V-9999 (2) self-bump: 1.29647 Ang CA(10) at 34.425 28.738 -50.144 in (null):V-9999 (2) and CB(11) at 34.2343 27.9308 -49.1476 in (null):V-9999 (2) Number of specific fragments= 1 total=2609 # 2bnh.307.307 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 307 :VVDGVGILR 2bnh 307 :GCQLESLWV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2610 # 1dryA.307.307 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 307 :VVDGVGILR 1dryA 308 :LSGGERAGD Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66384 Ang C(34) at 8.874 -6.112 23.004 in (null):V-9999 (5) and NH2(63) at 10.9989 -5.46093 24.4726 in (null):R-9999 (9) other bump:1.01716 Ang O(26) at 11.398 -6.395 24.419 in (null):G-9999 (4) and NH2(63) at 10.9989 -5.46093 24.4726 in (null):R-9999 (9) other bump:2.09937 Ang C(27) at 11.592 -7.274 23.596 in (null):G-9999 (4) and NH2(63) at 10.9989 -5.46093 24.4726 in (null):R-9999 (9) other bump:2.7712 Ang N(28) at 10.997 -7.315 22.413 in (null):V-9999 (5) and NH2(63) at 10.9989 -5.46093 24.4726 in (null):R-9999 (9) other bump:2.68513 Ang CA(29) at 10.069 -6.224 22.072 in (null):V-9999 (5) and NH2(63) at 10.9989 -5.46093 24.4726 in (null):R-9999 (9) other bump:2.74428 Ang C(34) at 8.874 -6.112 23.004 in (null):V-9999 (5) and CZ(61) at 10.9906 -4.46164 23.5762 in (null):R-9999 (9) other bump:2.67334 Ang N(35) at 8.385 -4.877 23.146 in (null):G-9999 (6) and CZ(61) at 10.9906 -4.46164 23.5762 in (null):R-9999 (9) other bump:2.14808 Ang O(26) at 11.398 -6.395 24.419 in (null):G-9999 (4) and CZ(61) at 10.9906 -4.46164 23.5762 in (null):R-9999 (9) other bump:2.87601 Ang C(27) at 11.592 -7.274 23.596 in (null):G-9999 (4) and CZ(61) at 10.9906 -4.46164 23.5762 in (null):R-9999 (9) other bump:2.49355 Ang CA(29) at 10.069 -6.224 22.072 in (null):V-9999 (5) and CZ(61) at 10.9906 -4.46164 23.5762 in (null):R-9999 (9) other bump:3.1978 Ang CG1(31) at 8.47928 -5.4572 20.2132 in (null):V-9999 (5) and NE(60) at 9.95234 -4.2438 22.779 in (null):R-9999 (9) other bump:2.16878 Ang C(34) at 8.874 -6.112 23.004 in (null):V-9999 (5) and NE(60) at 9.95234 -4.2438 22.779 in (null):R-9999 (9) other bump:1.72979 Ang N(35) at 8.385 -4.877 23.146 in (null):G-9999 (6) and NE(60) at 9.95234 -4.2438 22.779 in (null):R-9999 (9) other bump:2.10587 Ang CA(29) at 10.069 -6.224 22.072 in (null):V-9999 (5) and NE(60) at 9.95234 -4.2438 22.779 in (null):R-9999 (9) other bump:2.99212 Ang CG1(31) at 8.47928 -5.4572 20.2132 in (null):V-9999 (5) and CD(59) at 9.84893 -3.26177 21.7155 in (null):R-9999 (9) other bump:2.6074 Ang N(35) at 8.385 -4.877 23.146 in (null):G-9999 (6) and CD(59) at 9.84893 -3.26177 21.7155 in (null):R-9999 (9) other bump:2.99172 Ang CA(29) at 10.069 -6.224 22.072 in (null):V-9999 (5) and CD(59) at 9.84893 -3.26177 21.7155 in (null):R-9999 (9) neighbor-bump: 2.2245 Ang O(45) at 4.225 -1.362 24.217 in (null):I-9999 (7) and CG(50) at 3.14149 0.567457 24.4442 in (null):L-9999 (8) neighbor-bump: 2.04723 Ang O(45) at 4.225 -1.362 24.217 in (null):I-9999 (7) and CB(49) at 4.59635 0.635834 23.9682 in (null):L-9999 (8) neighbor-bump: 2.50993 Ang C(46) at 4.232 -1.651 23 in (null):I-9999 (7) and CB(49) at 4.59635 0.635834 23.9682 in (null):L-9999 (8) neighbor-bump: 2.10855 Ang CG2(43) at 2.76579 -1.64021 21.0712 in (null):I-9999 (7) and N(47) at 4.421 -0.764 22.04 in (null):L-9999 (8) self-bump: 2.42283 Ang CG2(43) at 2.76579 -1.64021 21.0712 in (null):I-9999 (7) and C(46) at 4.232 -1.651 23 in (null):I-9999 (7) self-bump: 1.29632 Ang CA(40) at 3.975 -3.077 22.511 in (null):I-9999 (7) and CB(41) at 3.33581 -3.00265 21.3857 in (null):I-9999 (7) neighbor-bump: 2.03806 Ang O(14) at 15.355 -11.342 19.141 in (null):V-9999 (2) and CG(19) at 15.7318 -11.4758 21.1394 in (null):D-9999 (3) Number of specific fragments= 1 total=2611 # 1afrA.307.307 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 307 :VVDGVGILR 1afrA 326 :YVCRLPPRI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.19823 Ang CG1(31) at 60.1401 49.5462 11.577 in (null):V-9999 (5) and CD(59) at 59.209 47.3697 13.7275 in (null):R-9999 (9) Number of specific fragments= 1 total=2612 # 1drtA.307.307 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 307 :VVDGVGILR 1drtA 308 :LSGGERAGD Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80378 Ang C(34) at 8.815 -5.951 22.86 in (null):V-9999 (5) and NH2(63) at 10.766 -5.16618 24.7144 in (null):R-9999 (9) other bump:1.19789 Ang O(26) at 11.494 -6.021 24.297 in (null):G-9999 (4) and NH2(63) at 10.766 -5.16618 24.7144 in (null):R-9999 (9) other bump:2.32991 Ang C(27) at 11.627 -6.983 23.537 in (null):G-9999 (4) and NH2(63) at 10.766 -5.16618 24.7144 in (null):R-9999 (9) other bump:2.79334 Ang C(34) at 8.815 -5.951 22.86 in (null):V-9999 (5) and CZ(61) at 10.7828 -4.19752 23.7851 in (null):R-9999 (9) other bump:2.73035 Ang N(35) at 8.248 -4.753 22.936 in (null):G-9999 (6) and CZ(61) at 10.7828 -4.19752 23.7851 in (null):R-9999 (9) other bump:2.0231 Ang O(26) at 11.494 -6.021 24.297 in (null):G-9999 (4) and CZ(61) at 10.7828 -4.19752 23.7851 in (null):R-9999 (9) other bump:2.92114 Ang C(27) at 11.627 -6.983 23.537 in (null):G-9999 (4) and CZ(61) at 10.7828 -4.19752 23.7851 in (null):R-9999 (9) other bump:2.71883 Ang CA(29) at 10.03 -6.059 21.952 in (null):V-9999 (5) and CZ(61) at 10.7828 -4.19752 23.7851 in (null):R-9999 (9) other bump:2.16316 Ang C(34) at 8.815 -5.951 22.86 in (null):V-9999 (5) and NE(60) at 9.77048 -4.01227 22.9474 in (null):R-9999 (9) other bump:1.69315 Ang N(35) at 8.248 -4.753 22.936 in (null):G-9999 (6) and NE(60) at 9.77048 -4.01227 22.9474 in (null):R-9999 (9) other bump:2.8705 Ang CA(36) at 7.057 -4.506 23.743 in (null):G-9999 (6) and NE(60) at 9.77048 -4.01227 22.9474 in (null):R-9999 (9) other bump:2.29068 Ang CA(29) at 10.03 -6.059 21.952 in (null):V-9999 (5) and NE(60) at 9.77048 -4.01227 22.9474 in (null):R-9999 (9) other bump:3.31862 Ang CG1(31) at 8.40175 -5.53003 20.0411 in (null):V-9999 (5) and CD(59) at 9.69789 -3.06698 21.8485 in (null):R-9999 (9) other bump:3.18121 Ang C(34) at 8.815 -5.951 22.86 in (null):V-9999 (5) and CD(59) at 9.69789 -3.06698 21.8485 in (null):R-9999 (9) other bump:2.47535 Ang N(35) at 8.248 -4.753 22.936 in (null):G-9999 (6) and CD(59) at 9.69789 -3.06698 21.8485 in (null):R-9999 (9) other bump:3.01217 Ang CA(29) at 10.03 -6.059 21.952 in (null):V-9999 (5) and CD(59) at 9.69789 -3.06698 21.8485 in (null):R-9999 (9) neighbor-bump: 2.642 Ang O(45) at 3.916 -1.176 24.09 in (null):I-9999 (7) and CD1(51) at 2.91136 0.534107 25.8354 in (null):L-9999 (8) neighbor-bump: 2.05712 Ang O(45) at 3.916 -1.176 24.09 in (null):I-9999 (7) and CG(50) at 2.99239 0.646508 24.3291 in (null):L-9999 (8) neighbor-bump: 2.78152 Ang C(46) at 4.056 -1.499 22.914 in (null):I-9999 (7) and CG(50) at 2.99239 0.646508 24.3291 in (null):L-9999 (8) neighbor-bump: 2.0271 Ang O(45) at 3.916 -1.176 24.09 in (null):I-9999 (7) and CB(49) at 4.45525 0.767743 23.8895 in (null):L-9999 (8) neighbor-bump: 2.49982 Ang C(46) at 4.056 -1.499 22.914 in (null):I-9999 (7) and CB(49) at 4.45525 0.767743 23.8895 in (null):L-9999 (8) neighbor-bump: 2.34916 Ang CG2(43) at 2.52493 -1.64072 20.9752 in (null):I-9999 (7) and N(47) at 4.402 -0.636 21.968 in (null):L-9999 (8) self-bump: 1.32449 Ang CA(40) at 3.839 -2.942 22.469 in (null):I-9999 (7) and CB(41) at 3.17257 -2.95927 21.3245 in (null):I-9999 (7) neighbor-bump: 1.97538 Ang O(14) at 15.349 -10.751 19.272 in (null):V-9999 (2) and CG(19) at 15.3904 -11.4419 21.1222 in (null):D-9999 (3) neighbor-bump: 2.81162 Ang C(15) at 14.303 -10.336 18.777 in (null):V-9999 (2) and CG(19) at 15.3904 -11.4419 21.1222 in (null):D-9999 (3) Number of specific fragments= 1 total=2613 # 2bnh.307.308 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 307 :VVDGVGILR 2bnh 308 :CQLESLWVK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.33065 Ang O(45) at 4.849 47.669 21.39 in (null):I-9999 (7) and CD2(52) at 4.0428 49.4856 22.6074 in (null):L-9999 (8) Number of specific fragments= 1 total=2614 # 1fnf.308.312 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 308 :VDGVGILRG 1fnf 1454 :TGGNSPVQE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.59209 Ang CG1(5) at 35.3767 27.8304 -48.1535 in (null):V-9999 (1) and OD1(13) at 37.762 27.9074 -47.1418 in (null):D-9999 (2) neighbor-bump: 2.92689 Ang CG1(5) at 35.3767 27.8304 -48.1535 in (null):V-9999 (1) and CG(12) at 38.2932 28.0478 -48.2685 in (null):D-9999 (2) neighbor-bump: 2.65653 Ang C(8) at 35.706 29.469 -49.823 in (null):V-9999 (1) and CB(11) at 38.2121 29.401 -48.9443 in (null):D-9999 (2) neighbor-bump: 3.13144 Ang CG1(5) at 35.3767 27.8304 -48.1535 in (null):V-9999 (1) and CA(10) at 37.128 30.426 -48.11 in (null):D-9999 (2) neighbor-bump: 1.9958 Ang CG1(5) at 35.3767 27.8304 -48.1535 in (null):V-9999 (1) and N(9) at 35.937 29.708 -48.533 in (null):D-9999 (2) self-bump: 2.36235 Ang CG1(5) at 35.3767 27.8304 -48.1535 in (null):V-9999 (1) and C(8) at 35.706 29.469 -49.823 in (null):V-9999 (1) self-bump: 1.29647 Ang CA(3) at 34.425 28.738 -50.144 in (null):V-9999 (1) and CB(4) at 34.2343 27.9308 -49.1476 in (null):V-9999 (1) Number of specific fragments= 1 total=2615 # 2bnh.308.308 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 308 :VDGVGILRG 2bnh 308 :CQLESLWVK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2616 # 1dryA.308.308 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 308 :VDGVGILRG 1dryA 309 :SGGERAGDV Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66384 Ang C(27) at 8.874 -6.112 23.004 in (null):V-9999 (4) and NH2(56) at 10.9989 -5.46093 24.4726 in (null):R-9999 (8) other bump:2.68514 Ang CA(22) at 10.069 -6.224 22.072 in (null):V-9999 (4) and NH2(56) at 10.9989 -5.46093 24.4726 in (null):R-9999 (8) other bump:1.01716 Ang O(19) at 11.398 -6.395 24.419 in (null):G-9999 (3) and NH2(56) at 10.9989 -5.46093 24.4726 in (null):R-9999 (8) other bump:2.09937 Ang C(20) at 11.592 -7.274 23.596 in (null):G-9999 (3) and NH2(56) at 10.9989 -5.46093 24.4726 in (null):R-9999 (8) other bump:2.7712 Ang N(21) at 10.997 -7.315 22.413 in (null):V-9999 (4) and NH2(56) at 10.9989 -5.46093 24.4726 in (null):R-9999 (8) other bump:2.74428 Ang C(27) at 8.874 -6.112 23.004 in (null):V-9999 (4) and CZ(54) at 10.9906 -4.46164 23.5762 in (null):R-9999 (8) other bump:2.67334 Ang N(28) at 8.385 -4.877 23.146 in (null):G-9999 (5) and CZ(54) at 10.9906 -4.46164 23.5762 in (null):R-9999 (8) other bump:2.49355 Ang CA(22) at 10.069 -6.224 22.072 in (null):V-9999 (4) and CZ(54) at 10.9906 -4.46164 23.5762 in (null):R-9999 (8) other bump:2.14808 Ang O(19) at 11.398 -6.395 24.419 in (null):G-9999 (3) and CZ(54) at 10.9906 -4.46164 23.5762 in (null):R-9999 (8) other bump:2.87601 Ang C(20) at 11.592 -7.274 23.596 in (null):G-9999 (3) and CZ(54) at 10.9906 -4.46164 23.5762 in (null):R-9999 (8) other bump:3.1978 Ang CG1(24) at 8.47928 -5.4572 20.2132 in (null):V-9999 (4) and NE(53) at 9.95233 -4.2438 22.779 in (null):R-9999 (8) other bump:2.16878 Ang C(27) at 8.874 -6.112 23.004 in (null):V-9999 (4) and NE(53) at 9.95233 -4.2438 22.779 in (null):R-9999 (8) other bump:1.72979 Ang N(28) at 8.385 -4.877 23.146 in (null):G-9999 (5) and NE(53) at 9.95233 -4.2438 22.779 in (null):R-9999 (8) other bump:2.10587 Ang CA(22) at 10.069 -6.224 22.072 in (null):V-9999 (4) and NE(53) at 9.95233 -4.2438 22.779 in (null):R-9999 (8) other bump:2.99212 Ang CG1(24) at 8.47928 -5.4572 20.2132 in (null):V-9999 (4) and CD(52) at 9.84893 -3.26177 21.7155 in (null):R-9999 (8) other bump:2.6074 Ang N(28) at 8.385 -4.877 23.146 in (null):G-9999 (5) and CD(52) at 9.84893 -3.26177 21.7155 in (null):R-9999 (8) other bump:2.99172 Ang CA(22) at 10.069 -6.224 22.072 in (null):V-9999 (4) and CD(52) at 9.84893 -3.26177 21.7155 in (null):R-9999 (8) neighbor-bump: 2.2245 Ang O(38) at 4.225 -1.362 24.217 in (null):I-9999 (6) and CG(43) at 3.14149 0.567457 24.4442 in (null):L-9999 (7) neighbor-bump: 2.04723 Ang O(38) at 4.225 -1.362 24.217 in (null):I-9999 (6) and CB(42) at 4.59635 0.635834 23.9682 in (null):L-9999 (7) neighbor-bump: 2.50993 Ang C(39) at 4.232 -1.651 23 in (null):I-9999 (6) and CB(42) at 4.59635 0.635834 23.9682 in (null):L-9999 (7) neighbor-bump: 2.10855 Ang CG2(36) at 2.76579 -1.64021 21.0712 in (null):I-9999 (6) and N(40) at 4.421 -0.764 22.04 in (null):L-9999 (7) self-bump: 2.42283 Ang CG2(36) at 2.76579 -1.64021 21.0712 in (null):I-9999 (6) and C(39) at 4.232 -1.651 23 in (null):I-9999 (6) self-bump: 1.29632 Ang CA(33) at 3.975 -3.077 22.511 in (null):I-9999 (6) and CB(34) at 3.33581 -3.00265 21.3857 in (null):I-9999 (6) neighbor-bump: 2.03806 Ang O(7) at 15.355 -11.342 19.141 in (null):V-9999 (1) and CG(12) at 15.7318 -11.4758 21.1394 in (null):D-9999 (2) Number of specific fragments= 1 total=2617 # 1afrA.308.308 read from T0147_twice.t2k.frag # found chain 1afrA in template set T0147_twice 308 :VDGVGILRG 1afrA 327 :VCRLPPRIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2618 # 2bnh.308.309 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 308 :VDGVGILRG 2bnh 309 :QLESLWVKS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.33065 Ang O(38) at 4.849 47.669 21.39 in (null):I-9999 (6) and CD2(45) at 4.0428 49.4856 22.6074 in (null):L-9999 (7) Number of specific fragments= 1 total=2619 # 1drtA.308.308 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 308 :VDGVGILRG 1drtA 309 :SGGERAGDV Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80378 Ang C(27) at 8.815 -5.951 22.86 in (null):V-9999 (4) and NH2(56) at 10.766 -5.16618 24.7144 in (null):R-9999 (8) other bump:1.19789 Ang O(19) at 11.494 -6.021 24.297 in (null):G-9999 (3) and NH2(56) at 10.766 -5.16618 24.7144 in (null):R-9999 (8) other bump:2.3299 Ang C(20) at 11.627 -6.983 23.537 in (null):G-9999 (3) and NH2(56) at 10.766 -5.16618 24.7144 in (null):R-9999 (8) other bump:2.79334 Ang C(27) at 8.815 -5.951 22.86 in (null):V-9999 (4) and CZ(54) at 10.7828 -4.19752 23.7851 in (null):R-9999 (8) other bump:2.73035 Ang N(28) at 8.248 -4.753 22.936 in (null):G-9999 (5) and CZ(54) at 10.7828 -4.19752 23.7851 in (null):R-9999 (8) other bump:2.71883 Ang CA(22) at 10.03 -6.059 21.952 in (null):V-9999 (4) and CZ(54) at 10.7828 -4.19752 23.7851 in (null):R-9999 (8) other bump:2.02309 Ang O(19) at 11.494 -6.021 24.297 in (null):G-9999 (3) and CZ(54) at 10.7828 -4.19752 23.7851 in (null):R-9999 (8) other bump:2.92114 Ang C(20) at 11.627 -6.983 23.537 in (null):G-9999 (3) and CZ(54) at 10.7828 -4.19752 23.7851 in (null):R-9999 (8) other bump:2.16316 Ang C(27) at 8.815 -5.951 22.86 in (null):V-9999 (4) and NE(53) at 9.77048 -4.01227 22.9474 in (null):R-9999 (8) other bump:1.69315 Ang N(28) at 8.248 -4.753 22.936 in (null):G-9999 (5) and NE(53) at 9.77048 -4.01227 22.9474 in (null):R-9999 (8) other bump:2.8705 Ang CA(29) at 7.057 -4.506 23.743 in (null):G-9999 (5) and NE(53) at 9.77048 -4.01227 22.9474 in (null):R-9999 (8) other bump:2.29068 Ang CA(22) at 10.03 -6.059 21.952 in (null):V-9999 (4) and NE(53) at 9.77048 -4.01227 22.9474 in (null):R-9999 (8) other bump:3.31862 Ang CG1(24) at 8.40175 -5.53003 20.0411 in (null):V-9999 (4) and CD(52) at 9.69789 -3.06699 21.8485 in (null):R-9999 (8) other bump:3.1812 Ang C(27) at 8.815 -5.951 22.86 in (null):V-9999 (4) and CD(52) at 9.69789 -3.06699 21.8485 in (null):R-9999 (8) other bump:2.47535 Ang N(28) at 8.248 -4.753 22.936 in (null):G-9999 (5) and CD(52) at 9.69789 -3.06699 21.8485 in (null):R-9999 (8) other bump:3.01217 Ang CA(22) at 10.03 -6.059 21.952 in (null):V-9999 (4) and CD(52) at 9.69789 -3.06699 21.8485 in (null):R-9999 (8) neighbor-bump: 2.642 Ang O(38) at 3.916 -1.176 24.09 in (null):I-9999 (6) and CD1(44) at 2.91136 0.534107 25.8354 in (null):L-9999 (7) neighbor-bump: 2.05712 Ang O(38) at 3.916 -1.176 24.09 in (null):I-9999 (6) and CG(43) at 2.99239 0.646508 24.3291 in (null):L-9999 (7) neighbor-bump: 2.78152 Ang C(39) at 4.056 -1.499 22.914 in (null):I-9999 (6) and CG(43) at 2.99239 0.646508 24.3291 in (null):L-9999 (7) neighbor-bump: 2.0271 Ang O(38) at 3.916 -1.176 24.09 in (null):I-9999 (6) and CB(42) at 4.45525 0.767743 23.8895 in (null):L-9999 (7) neighbor-bump: 2.49982 Ang C(39) at 4.056 -1.499 22.914 in (null):I-9999 (6) and CB(42) at 4.45525 0.767743 23.8895 in (null):L-9999 (7) neighbor-bump: 2.34916 Ang CG2(36) at 2.52493 -1.64072 20.9752 in (null):I-9999 (6) and N(40) at 4.402 -0.636 21.968 in (null):L-9999 (7) self-bump: 1.32449 Ang CA(33) at 3.839 -2.942 22.469 in (null):I-9999 (6) and CB(34) at 3.17257 -2.95927 21.3245 in (null):I-9999 (6) neighbor-bump: 1.97538 Ang O(7) at 15.349 -10.751 19.272 in (null):V-9999 (1) and CG(12) at 15.3904 -11.4419 21.1222 in (null):D-9999 (2) neighbor-bump: 2.81162 Ang C(8) at 14.303 -10.336 18.777 in (null):V-9999 (1) and CG(12) at 15.3904 -11.4419 21.1222 in (null):D-9999 (2) Number of specific fragments= 1 total=2620 # 1fnf.309.313 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 309 :DGVGILRGI 1fnf 1455 :GGNSPVQEF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2621 # 2bnh.309.309 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 309 :DGVGILRGI 2bnh 309 :QLESLWVKS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2622 # 1dryA.309.309 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 309 :DGVGILRGI 1dryA 310 :GGERAGDVV Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66384 Ang C(20) at 8.874 -6.112 23.004 in (null):V-9999 (3) and NH2(49) at 10.9989 -5.46093 24.4726 in (null):R-9999 (7) other bump:1.01716 Ang O(12) at 11.398 -6.395 24.419 in (null):G-9999 (2) and NH2(49) at 10.9989 -5.46093 24.4726 in (null):R-9999 (7) other bump:2.09937 Ang C(13) at 11.592 -7.274 23.596 in (null):G-9999 (2) and NH2(49) at 10.9989 -5.46093 24.4726 in (null):R-9999 (7) other bump:2.7712 Ang N(14) at 10.997 -7.315 22.413 in (null):V-9999 (3) and NH2(49) at 10.9989 -5.46093 24.4726 in (null):R-9999 (7) other bump:2.68514 Ang CA(15) at 10.069 -6.224 22.072 in (null):V-9999 (3) and NH2(49) at 10.9989 -5.46093 24.4726 in (null):R-9999 (7) other bump:2.74428 Ang C(20) at 8.874 -6.112 23.004 in (null):V-9999 (3) and CZ(47) at 10.9906 -4.46164 23.5762 in (null):R-9999 (7) other bump:2.67334 Ang N(21) at 8.385 -4.877 23.146 in (null):G-9999 (4) and CZ(47) at 10.9906 -4.46164 23.5762 in (null):R-9999 (7) other bump:2.14808 Ang O(12) at 11.398 -6.395 24.419 in (null):G-9999 (2) and CZ(47) at 10.9906 -4.46164 23.5762 in (null):R-9999 (7) other bump:2.87601 Ang C(13) at 11.592 -7.274 23.596 in (null):G-9999 (2) and CZ(47) at 10.9906 -4.46164 23.5762 in (null):R-9999 (7) other bump:2.49355 Ang CA(15) at 10.069 -6.224 22.072 in (null):V-9999 (3) and CZ(47) at 10.9906 -4.46164 23.5762 in (null):R-9999 (7) other bump:3.1978 Ang CG1(17) at 8.47928 -5.4572 20.2132 in (null):V-9999 (3) and NE(46) at 9.95233 -4.2438 22.779 in (null):R-9999 (7) other bump:2.16878 Ang C(20) at 8.874 -6.112 23.004 in (null):V-9999 (3) and NE(46) at 9.95233 -4.2438 22.779 in (null):R-9999 (7) other bump:1.72979 Ang N(21) at 8.385 -4.877 23.146 in (null):G-9999 (4) and NE(46) at 9.95233 -4.2438 22.779 in (null):R-9999 (7) other bump:2.10587 Ang CA(15) at 10.069 -6.224 22.072 in (null):V-9999 (3) and NE(46) at 9.95233 -4.2438 22.779 in (null):R-9999 (7) other bump:2.99212 Ang CG1(17) at 8.47928 -5.4572 20.2132 in (null):V-9999 (3) and CD(45) at 9.84893 -3.26177 21.7155 in (null):R-9999 (7) other bump:2.6074 Ang N(21) at 8.385 -4.877 23.146 in (null):G-9999 (4) and CD(45) at 9.84893 -3.26177 21.7155 in (null):R-9999 (7) other bump:2.99172 Ang CA(15) at 10.069 -6.224 22.072 in (null):V-9999 (3) and CD(45) at 9.84893 -3.26177 21.7155 in (null):R-9999 (7) neighbor-bump: 2.2245 Ang O(31) at 4.225 -1.362 24.217 in (null):I-9999 (5) and CG(36) at 3.14149 0.567457 24.4442 in (null):L-9999 (6) neighbor-bump: 2.04723 Ang O(31) at 4.225 -1.362 24.217 in (null):I-9999 (5) and CB(35) at 4.59635 0.635834 23.9682 in (null):L-9999 (6) neighbor-bump: 2.50993 Ang C(32) at 4.232 -1.651 23 in (null):I-9999 (5) and CB(35) at 4.59635 0.635834 23.9682 in (null):L-9999 (6) neighbor-bump: 2.10855 Ang CG2(29) at 2.76579 -1.64021 21.0712 in (null):I-9999 (5) and N(33) at 4.421 -0.764 22.04 in (null):L-9999 (6) self-bump: 2.42283 Ang CG2(29) at 2.76579 -1.64021 21.0712 in (null):I-9999 (5) and C(32) at 4.232 -1.651 23 in (null):I-9999 (5) self-bump: 1.29632 Ang CA(26) at 3.975 -3.077 22.511 in (null):I-9999 (5) and CB(27) at 3.33581 -3.00265 21.3857 in (null):I-9999 (5) neighbor-bump: 2.03806 Ang O(0) at 15.355 -11.342 19.141 in (null):G-9999 (0) and CG(5) at 15.7318 -11.4758 21.1394 in (null):D-9999 (1) Number of specific fragments= 1 total=2623 # 2bnh.309.310 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 309 :DGVGILRGI 2bnh 310 :LESLWVKSC Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62676 Ang CB(35) at 1.87445 49.0107 21.4546 in (null):L-9999 (6) and CD1(61) at -0.56476 49.3516 22.3677 in (null):I-9999 (9) neighbor-bump: 2.33065 Ang O(31) at 4.849 47.669 21.39 in (null):I-9999 (5) and CD2(38) at 4.0428 49.4856 22.6074 in (null):L-9999 (6) Number of specific fragments= 1 total=2624 # 1mmq.309.55 read from T0147_twice.t2k.frag # adding 1mmq to template set 1mmq:# found chain 1mmq in template set T0147_twice 309 :DGVGILRGI 1mmq 155 :GTADIMIGF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86157 Ang CG2(18) at 54.598 -47.2389 68.8313 in (null):V-9999 (3) and CD2(38) at 56.2835 -48.4741 66.8763 in (null):L-9999 (6) neighbor-bump: 2.32265 Ang CB(4) at 59.9019 -51.955 72.3231 in (null):D-9999 (1) and N(10) at 57.962 -51.469 71.142 in (null):G-9999 (2) self-bump: 2.18489 Ang CB(4) at 59.9019 -51.955 72.3231 in (null):D-9999 (1) and C(9) at 58.815 -50.457 71.162 in (null):D-9999 (1) self-bump: 1.28822 Ang CA(3) at 59.958 -50.68 72.148 in (null):D-9999 (1) and CB(4) at 59.9019 -51.955 72.3231 in (null):D-9999 (1) Number of specific fragments= 1 total=2625 # 1drtA.309.309 read from T0147_twice.t2k.frag # found chain 1drtA in template set T0147_twice 309 :DGVGILRGI 1drtA 310 :GGERAGDVV Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80378 Ang C(20) at 8.815 -5.951 22.86 in (null):V-9999 (3) and NH2(49) at 10.766 -5.16618 24.7144 in (null):R-9999 (7) other bump:1.19789 Ang O(12) at 11.494 -6.021 24.297 in (null):G-9999 (2) and NH2(49) at 10.766 -5.16618 24.7144 in (null):R-9999 (7) other bump:2.3299 Ang C(13) at 11.627 -6.983 23.537 in (null):G-9999 (2) and NH2(49) at 10.766 -5.16618 24.7144 in (null):R-9999 (7) other bump:2.79334 Ang C(20) at 8.815 -5.951 22.86 in (null):V-9999 (3) and CZ(47) at 10.7828 -4.19752 23.7851 in (null):R-9999 (7) other bump:2.73035 Ang N(21) at 8.248 -4.753 22.936 in (null):G-9999 (4) and CZ(47) at 10.7828 -4.19752 23.7851 in (null):R-9999 (7) other bump:2.02309 Ang O(12) at 11.494 -6.021 24.297 in (null):G-9999 (2) and CZ(47) at 10.7828 -4.19752 23.7851 in (null):R-9999 (7) other bump:2.92114 Ang C(13) at 11.627 -6.983 23.537 in (null):G-9999 (2) and CZ(47) at 10.7828 -4.19752 23.7851 in (null):R-9999 (7) other bump:2.71883 Ang CA(15) at 10.03 -6.059 21.952 in (null):V-9999 (3) and CZ(47) at 10.7828 -4.19752 23.7851 in (null):R-9999 (7) other bump:2.16316 Ang C(20) at 8.815 -5.951 22.86 in (null):V-9999 (3) and NE(46) at 9.77048 -4.01227 22.9474 in (null):R-9999 (7) other bump:1.69315 Ang N(21) at 8.248 -4.753 22.936 in (null):G-9999 (4) and NE(46) at 9.77048 -4.01227 22.9474 in (null):R-9999 (7) other bump:2.8705 Ang CA(22) at 7.057 -4.506 23.743 in (null):G-9999 (4) and NE(46) at 9.77048 -4.01227 22.9474 in (null):R-9999 (7) other bump:2.29068 Ang CA(15) at 10.03 -6.059 21.952 in (null):V-9999 (3) and NE(46) at 9.77048 -4.01227 22.9474 in (null):R-9999 (7) other bump:3.31862 Ang CG1(17) at 8.40175 -5.53003 20.0411 in (null):V-9999 (3) and CD(45) at 9.69789 -3.06699 21.8485 in (null):R-9999 (7) other bump:3.1812 Ang C(20) at 8.815 -5.951 22.86 in (null):V-9999 (3) and CD(45) at 9.69789 -3.06699 21.8485 in (null):R-9999 (7) other bump:2.47535 Ang N(21) at 8.248 -4.753 22.936 in (null):G-9999 (4) and CD(45) at 9.69789 -3.06699 21.8485 in (null):R-9999 (7) other bump:3.01217 Ang CA(15) at 10.03 -6.059 21.952 in (null):V-9999 (3) and CD(45) at 9.69789 -3.06699 21.8485 in (null):R-9999 (7) neighbor-bump: 2.642 Ang O(31) at 3.916 -1.176 24.09 in (null):I-9999 (5) and CD1(37) at 2.91136 0.534107 25.8354 in (null):L-9999 (6) neighbor-bump: 2.05712 Ang O(31) at 3.916 -1.176 24.09 in (null):I-9999 (5) and CG(36) at 2.99239 0.646508 24.3291 in (null):L-9999 (6) neighbor-bump: 2.78152 Ang C(32) at 4.056 -1.499 22.914 in (null):I-9999 (5) and CG(36) at 2.99239 0.646508 24.3291 in (null):L-9999 (6) neighbor-bump: 2.0271 Ang O(31) at 3.916 -1.176 24.09 in (null):I-9999 (5) and CB(35) at 4.45525 0.767743 23.8895 in (null):L-9999 (6) neighbor-bump: 2.49982 Ang C(32) at 4.056 -1.499 22.914 in (null):I-9999 (5) and CB(35) at 4.45525 0.767743 23.8895 in (null):L-9999 (6) neighbor-bump: 2.34916 Ang CG2(29) at 2.52493 -1.64072 20.9752 in (null):I-9999 (5) and N(33) at 4.402 -0.636 21.968 in (null):L-9999 (6) self-bump: 1.32449 Ang CA(26) at 3.839 -2.942 22.469 in (null):I-9999 (5) and CB(27) at 3.17257 -2.95927 21.3245 in (null):I-9999 (5) neighbor-bump: 1.97538 Ang O(0) at 15.349 -10.751 19.272 in (null):G-9999 (0) and CG(5) at 15.3904 -11.4419 21.1222 in (null):D-9999 (1) neighbor-bump: 2.81162 Ang C(1) at 14.303 -10.336 18.777 in (null):G-9999 (0) and CG(5) at 15.3904 -11.4419 21.1222 in (null):D-9999 (1) Number of specific fragments= 1 total=2626 # 1fnf.310.314 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 310 :GVGILRGIE 1fnf 1456 :GNSPVQEFT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2627 # 2bnh.310.310 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 310 :GVGILRGIE 2bnh 310 :LESLWVKSC Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.18023 Ang C(43) at 0.987 46.807 20.5 in (null):R-9999 (6) and CG(59) at 0.0943298 46.8588 23.5519 in (null):E-9999 (9) Number of specific fragments= 1 total=2628 # 2bnh.310.311 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 310 :GVGILRGIE 2bnh 311 :ESLWVKSCS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.16786 Ang C(32) at 0.987 46.807 20.5 in (null):L-9999 (5) and CG2(52) at 0.0239678 46.8682 23.5173 in (null):I-9999 (8) neighbor-bump: 2.33065 Ang O(23) at 4.849 47.669 21.39 in (null):I-9999 (4) and CD2(30) at 4.0428 49.4856 22.6074 in (null):L-9999 (5) Number of specific fragments= 1 total=2629 # 1fi4A.310.312 read from T0147_twice.t2k.frag # adding 1fi4A to template set 1fi4A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # found chain 1fi4A in template set T0147_twice 310 :GVGILRGIE 1fi4A 293 :GETIVAYTF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2630 # 1mmq.310.56 read from T0147_twice.t2k.frag # found chain 1mmq in template set T0147_twice 310 :GVGILRGIE 1mmq 156 :TADIMIGFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86157 Ang CG2(10) at 54.598 -47.2389 68.8313 in (null):V-9999 (2) and CD2(30) at 56.2835 -48.4741 66.8763 in (null):L-9999 (5) Number of specific fragments= 1 total=2631 # 1dryA.310.310 read from T0147_twice.t2k.frag # found chain 1dryA in training set T0147_twice 310 :GVGILRGIE 1dryA 311 :GERAGDVVA Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68514 Ang CA(7) at 10.069 -6.224 22.072 in (null):V-9999 (2) and NH2(41) at 10.9989 -5.46093 24.4726 in (null):R-9999 (6) other bump:2.66384 Ang C(12) at 8.874 -6.112 23.004 in (null):V-9999 (2) and NH2(41) at 10.9989 -5.46093 24.4726 in (null):R-9999 (6) other bump:1.01716 Ang O(4) at 11.398 -6.395 24.419 in (null):G-9999 (1) and NH2(41) at 10.9989 -5.46093 24.4726 in (null):R-9999 (6) other bump:2.09937 Ang C(5) at 11.592 -7.274 23.596 in (null):G-9999 (1) and NH2(41) at 10.9989 -5.46093 24.4726 in (null):R-9999 (6) other bump:2.7712 Ang N(6) at 10.997 -7.315 22.413 in (null):V-9999 (2) and NH2(41) at 10.9989 -5.46093 24.4726 in (null):R-9999 (6) other bump:2.49355 Ang CA(7) at 10.069 -6.224 22.072 in (null):V-9999 (2) and CZ(39) at 10.9906 -4.46164 23.5762 in (null):R-9999 (6) other bump:2.74428 Ang C(12) at 8.874 -6.112 23.004 in (null):V-9999 (2) and CZ(39) at 10.9906 -4.46164 23.5762 in (null):R-9999 (6) other bump:2.67334 Ang N(13) at 8.385 -4.877 23.146 in (null):G-9999 (3) and CZ(39) at 10.9906 -4.46164 23.5762 in (null):R-9999 (6) other bump:2.14808 Ang O(4) at 11.398 -6.395 24.419 in (null):G-9999 (1) and CZ(39) at 10.9906 -4.46164 23.5762 in (null):R-9999 (6) other bump:2.87601 Ang C(5) at 11.592 -7.274 23.596 in (null):G-9999 (1) and CZ(39) at 10.9906 -4.46164 23.5762 in (null):R-9999 (6) other bump:2.10587 Ang CA(7) at 10.069 -6.224 22.072 in (null):V-9999 (2) and NE(38) at 9.95233 -4.2438 22.779 in (null):R-9999 (6) other bump:2.16878 Ang C(12) at 8.874 -6.112 23.004 in (null):V-9999 (2) and NE(38) at 9.95233 -4.2438 22.779 in (null):R-9999 (6) other bump:3.1978 Ang CG1(9) at 8.47928 -5.4572 20.2132 in (null):V-9999 (2) and NE(38) at 9.95233 -4.2438 22.779 in (null):R-9999 (6) other bump:1.72979 Ang N(13) at 8.385 -4.877 23.146 in (null):G-9999 (3) and NE(38) at 9.95233 -4.2438 22.779 in (null):R-9999 (6) other bump:2.99172 Ang CA(7) at 10.069 -6.224 22.072 in (null):V-9999 (2) and CD(37) at 9.84893 -3.26177 21.7155 in (null):R-9999 (6) other bump:2.99212 Ang CG1(9) at 8.47928 -5.4572 20.2132 in (null):V-9999 (2) and CD(37) at 9.84893 -3.26177 21.7155 in (null):R-9999 (6) other bump:2.6074 Ang N(13) at 8.385 -4.877 23.146 in (null):G-9999 (3) and CD(37) at 9.84893 -3.26177 21.7155 in (null):R-9999 (6) neighbor-bump: 2.2245 Ang O(23) at 4.225 -1.362 24.217 in (null):I-9999 (4) and CG(28) at 3.14149 0.567457 24.4442 in (null):L-9999 (5) neighbor-bump: 2.04723 Ang O(23) at 4.225 -1.362 24.217 in (null):I-9999 (4) and CB(27) at 4.59635 0.635834 23.9682 in (null):L-9999 (5) neighbor-bump: 2.50993 Ang C(24) at 4.232 -1.651 23 in (null):I-9999 (4) and CB(27) at 4.59635 0.635834 23.9682 in (null):L-9999 (5) neighbor-bump: 2.10855 Ang CG2(21) at 2.76579 -1.64021 21.0712 in (null):I-9999 (4) and N(25) at 4.421 -0.764 22.04 in (null):L-9999 (5) self-bump: 2.42283 Ang CG2(21) at 2.76579 -1.64021 21.0712 in (null):I-9999 (4) and C(24) at 4.232 -1.651 23 in (null):I-9999 (4) self-bump: 1.29632 Ang CA(18) at 3.975 -3.077 22.511 in (null):I-9999 (4) and CB(19) at 3.33581 -3.00265 21.3857 in (null):I-9999 (4) Number of specific fragments= 1 total=2632 # 1fnf.311.315 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 311 :VGILRGIEA 1fnf 1457 :NSPVQEFTV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2633 # 2bnh.311.311 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 311 :VGILRGIEA 2bnh 311 :ESLWVKSCS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.18022 Ang C(39) at 0.987 46.807 20.5 in (null):R-9999 (5) and CG(55) at 0.0943304 46.8588 23.5519 in (null):E-9999 (8) Number of specific fragments= 1 total=2634 # 2bnh.311.312 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 311 :VGILRGIEA 2bnh 312 :SLWVKSCSL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.16786 Ang C(28) at 0.987 46.807 20.5 in (null):L-9999 (4) and CG2(48) at 0.0239678 46.8682 23.5173 in (null):I-9999 (7) neighbor-bump: 2.33065 Ang O(19) at 4.849 47.669 21.39 in (null):I-9999 (3) and CD2(26) at 4.0428 49.4856 22.6074 in (null):L-9999 (4) Number of specific fragments= 1 total=2635 # 1fi4A.311.313 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 311 :VGILRGIEA 1fi4A 294 :ETIVAYTFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2636 # 1mmq.311.57 read from T0147_twice.t2k.frag # found chain 1mmq in template set T0147_twice 311 :VGILRGIEA 1mmq 157 :ADIMIGFAR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86158 Ang CG2(6) at 54.598 -47.2389 68.8313 in (null):V-9999 (1) and CD2(26) at 56.2835 -48.4741 66.8763 in (null):L-9999 (4) Number of specific fragments= 1 total=2637 # 1hxxA.311.311 read from T0147_twice.t2k.frag # adding 1hxxA to template set 1hxxA:# found chain 1hxxA in template set T0147_twice 311 :VGILRGIEA 1hxxA 312 :DYIINQIDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2638 # 1fnf.312.316 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 312 :GILRGIEAN 1fnf 1458 :SPVQEFTVP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2639 # 2bnh.312.312 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 312 :GILRGIEAN 2bnh 312 :SLWVKSCSL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.18022 Ang C(32) at 0.987 46.807 20.5 in (null):R-9999 (4) and CG(48) at 0.0943304 46.8588 23.5519 in (null):E-9999 (7) Number of specific fragments= 1 total=2640 # 1fi4A.312.314 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 312 :GILRGIEAN 1fi4A 295 :TIVAYTFDA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2641 # 2bnh.312.313 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 312 :GILRGIEAN 2bnh 313 :LWVKSCSLT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.16786 Ang C(21) at 0.987 46.807 20.5 in (null):L-9999 (3) and CG2(41) at 0.0239678 46.8682 23.5173 in (null):I-9999 (6) neighbor-bump: 2.33065 Ang O(12) at 4.849 47.669 21.39 in (null):I-9999 (2) and CD2(19) at 4.0428 49.4856 22.6074 in (null):L-9999 (3) Number of specific fragments= 1 total=2642 # 1hxxA.312.312 read from T0147_twice.t2k.frag # found chain 1hxxA in template set T0147_twice 312 :GILRGIEAN 1hxxA 313 :YIINQIDSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2643 # 2omf.312.312 read from T0147_twice.t2k.frag # adding 2omf to template set 2omf:# found chain 2omf in template set T0147_twice 312 :GILRGIEAN 2omf 313 :YIINQIDSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2644 # 1fnf.313.317 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 313 :ILRGIEANI 1fnf 1459 :PVQEFTVPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2645 # 1fi4A.313.315 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 313 :ILRGIEANI 1fi4A 296 :IVAYTFDAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2646 # 2bnh.313.313 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 313 :ILRGIEANI 2bnh 313 :LWVKSCSLT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.18022 Ang C(28) at 0.987 46.807 20.5 in (null):R-9999 (3) and CG(44) at 0.0943304 46.8588 23.5519 in (null):E-9999 (6) Number of specific fragments= 1 total=2647 # 2bnh.313.314 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 313 :ILRGIEANI 2bnh 314 :WVKSCSLTA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.16786 Ang C(17) at 0.987 46.807 20.5 in (null):L-9999 (2) and CG2(37) at 0.0239678 46.8682 23.5173 in (null):I-9999 (5) neighbor-bump: 2.33065 Ang O(8) at 4.849 47.669 21.39 in (null):I-9999 (1) and CD2(15) at 4.0428 49.4856 22.6074 in (null):L-9999 (2) Number of specific fragments= 1 total=2648 # 1mmq.313.59 read from T0147_twice.t2k.frag # found chain 1mmq in template set T0147_twice 313 :ILRGIEANI 1mmq 159 :IMIGFARGA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9004 Ang CD(45) at 61.3122 -45.9998 54.3702 in (null):E-9999 (6) and CA(72) at 62.518 -48.61 53.989 in (null):G-9999 (10) other bump:2.06415 Ang OE2(47) at 61.7692 -46.9761 55.0042 in (null):E-9999 (6) and CA(72) at 62.518 -48.61 53.989 in (null):G-9999 (10) Number of specific fragments= 1 total=2649 # 1hxxA.313.313 read from T0147_twice.t2k.frag # found chain 1hxxA in template set T0147_twice 313 :ILRGIEANI 1hxxA 314 :IINQIDSDN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82502 Ang CG2(37) at -12.464 38.228 50.827 in (null):I-9999 (5) and CG1(66) at -11.7085 36.7848 53.1351 in (null):I-9999 (9) Number of specific fragments= 1 total=2650 # 1fnf.314.318 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 314 :LRGIEANIK 1fnf 1460 :VQEFTVPGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2651 # 1fi4A.314.316 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 314 :LRGIEANIK 1fi4A 297 :VAYTFDAGP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.23308 Ang O(53) at 10.45 55.122 24.703 in (null):N-9999 (7) and CG2(59) at 11.5542 55.512 26.6044 in (null):I-9999 (8) neighbor-bump: 2.86134 Ang C(54) at 10.279 56.207 24.139 in (null):N-9999 (7) and CG2(59) at 11.5542 55.512 26.6044 in (null):I-9999 (8) Number of specific fragments= 1 total=2652 # 1qs0A.314.316 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 314 :LRGIEANIK 1qs0A 318 :PSKYRPADD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.88834 Ang ND2(51) at -22.9159 -27.3 94.345 in (null):N-9999 (7) and CG1(58) at -22.5688 -28.1749 91.6143 in (null):I-9999 (8) Number of specific fragments= 1 total=2653 # 2bnh.314.314 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 314 :LRGIEANIK 2bnh 314 :WVKSCSLTA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.18022 Ang C(20) at 0.987 46.807 20.5 in (null):R-9999 (2) and CG(36) at 0.0943304 46.8588 23.5519 in (null):E-9999 (5) Number of specific fragments= 1 total=2654 # 1h6lA.314.314 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 314 :LRGIEANIK 1h6lA 343 :GQKANQNFK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2655 # 2bnh.314.315 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 314 :LRGIEANIK 2bnh 315 :VKSCSLTAA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.16786 Ang C(9) at 0.987 46.807 20.5 in (null):L-9999 (1) and CG2(29) at 0.0239678 46.8682 23.5173 in (null):I-9999 (4) neighbor-bump: 2.33065 Ang O(0) at 4.849 47.669 21.39 in (null):G-9999 (0) and CD2(7) at 4.0428 49.4856 22.6074 in (null):L-9999 (1) Number of specific fragments= 1 total=2656 # 1fnf.315.319 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 315 :RGIEANIKN 1fnf 1461 :QEFTVPGSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2657 # 1qs0A.315.317 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 315 :RGIEANIKN 1qs0A 319 :SKYRPADDW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.88834 Ang ND2(43) at -22.9159 -27.3 94.345 in (null):N-9999 (6) and CG1(50) at -22.5688 -28.1749 91.6143 in (null):I-9999 (7) other bump:1.39798 Ang NH2(10) at -23.8488 -28.4776 97.615 in (null):R-9999 (1) and OD1(44) at -23.3387 -28.2096 96.3412 in (null):N-9999 (6) Number of specific fragments= 1 total=2658 # 1h6lA.315.315 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 315 :RGIEANIKN 1h6lA 344 :QKANQNFKM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2659 # 1fi4A.315.317 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 315 :RGIEANIKN 1fi4A 298 :AYTFDAGPN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.23308 Ang O(45) at 10.45 55.122 24.703 in (null):N-9999 (6) and CG2(51) at 11.5542 55.512 26.6044 in (null):I-9999 (7) neighbor-bump: 2.86134 Ang C(46) at 10.279 56.207 24.139 in (null):N-9999 (6) and CG2(51) at 11.5542 55.512 26.6044 in (null):I-9999 (7) Number of specific fragments= 1 total=2660 # 1cvmA.315.315 read from T0147_twice.t2k.frag # adding 1cvmA to template set 1cvmA:# found chain 1cvmA in template set T0147_twice 315 :RGIEANIKN 1cvmA 344 :QKANQNFKM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2661 # 2bnh.315.315 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 315 :RGIEANIKN 2bnh 315 :VKSCSLTAA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84977 Ang CG1(50) at -10.1496 52.9112 21.6431 in (null):I-9999 (7) and CB(66) at -10.8861 55.6375 21.2605 in (null):N-9999 (9) other bump:2.38305 Ang CD1(52) at -11.1173 53.642 22.5426 in (null):I-9999 (7) and CB(66) at -10.8861 55.6375 21.2605 in (null):N-9999 (9) other bump:3.18022 Ang C(12) at 0.987 46.807 20.5 in (null):R-9999 (1) and CG(28) at 0.0943304 46.8588 23.5519 in (null):E-9999 (4) Number of specific fragments= 1 total=2662 # 1fnf.316.320 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 316 :GIEANIKNV 1fnf 1462 :EFTVPGSKS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2663 # 1h6lA.316.316 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 316 :GIEANIKNV 1h6lA 345 :KANQNFKMV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2664 # 1cvmA.316.316 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 316 :GIEANIKNV 1cvmA 345 :KANQNFKMV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2665 # 1fi4A.316.318 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 316 :GIEANIKNV 1fi4A 299 :YTFDAGPNA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.23308 Ang O(34) at 10.45 55.122 24.703 in (null):N-9999 (5) and CG2(40) at 11.5542 55.512 26.6044 in (null):I-9999 (6) neighbor-bump: 2.86134 Ang C(35) at 10.279 56.207 24.139 in (null):N-9999 (5) and CG2(40) at 11.5542 55.512 26.6044 in (null):I-9999 (6) Number of specific fragments= 1 total=2666 # 1qs0A.316.318 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 316 :GIEANIKNV 1qs0A 320 :KYRPADDWS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.88834 Ang ND2(32) at -22.9159 -27.3 94.345 in (null):N-9999 (5) and CG1(39) at -22.5688 -28.1749 91.6143 in (null):I-9999 (6) Number of specific fragments= 1 total=2667 # 2pooA.316.316 read from T0147_twice.t2k.frag # adding 2pooA to template set 2pooA:# found chain 2pooA in template set T0147_twice 316 :GIEANIKNV 2pooA 345 :KANQNFKMV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2668 # 1fnf.317.321 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 317 :IEANIKNVD 1fnf 1463 :FTVPGSKST Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2669 # 1h6lA.317.317 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 317 :IEANIKNVD 1h6lA 346 :ANQNFKMVP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2670 # 1cvmA.317.317 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 317 :IEANIKNVD 1cvmA 346 :ANQNFKMVP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2671 # 1qs0A.317.319 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 317 :IEANIKNVD 1qs0A 321 :YRPADDWSH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.88834 Ang ND2(28) at -22.9159 -27.3 94.345 in (null):N-9999 (4) and CG1(35) at -22.5688 -28.1749 91.6143 in (null):I-9999 (5) Number of specific fragments= 1 total=2672 # 1fi4A.317.319 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 317 :IEANIKNVD 1fi4A 300 :TFDAGPNAV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.23308 Ang O(30) at 10.45 55.122 24.703 in (null):N-9999 (4) and CG2(36) at 11.5542 55.512 26.6044 in (null):I-9999 (5) neighbor-bump: 2.86134 Ang C(31) at 10.279 56.207 24.139 in (null):N-9999 (4) and CG2(36) at 11.5542 55.512 26.6044 in (null):I-9999 (5) Number of specific fragments= 1 total=2673 # 2pooA.317.317 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 317 :IEANIKNVD 2pooA 346 :ANQNFKMVP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2674 # 1fnf.318.322 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 318 :EANIKNVDG 1fnf 1464 :TVPGSKSTA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2675 # 1h6lA.318.318 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 318 :EANIKNVDG 1h6lA 347 :NQNFKMVPW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2676 # 1cvmA.318.318 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 318 :EANIKNVDG 1cvmA 347 :NQNFKMVPW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2677 # 2pooA.318.318 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 318 :EANIKNVDG 2pooA 347 :NQNFKMVPW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2678 # 1qs0A.318.320 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 318 :EANIKNVDG 1qs0A 322 :RPADDWSHF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.88834 Ang ND2(20) at -22.9159 -27.3 94.345 in (null):N-9999 (3) and CG1(27) at -22.5688 -28.1749 91.6143 in (null):I-9999 (4) Number of specific fragments= 1 total=2679 # 1fi4A.318.320 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 318 :EANIKNVDG 1fi4A 301 :FDAGPNAVL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.86134 Ang C(23) at 10.279 56.207 24.139 in (null):N-9999 (3) and CG2(28) at 11.5542 55.512 26.6044 in (null):I-9999 (4) neighbor-bump: 2.23308 Ang O(22) at 10.45 55.122 24.703 in (null):N-9999 (3) and CG2(28) at 11.5542 55.512 26.6044 in (null):I-9999 (4) Number of specific fragments= 1 total=2680 # 1fnf.319.323 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 319 :ANIKNVDGE 1fnf 1465 :VPGSKSTAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2681 # 1h6lA.319.319 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 319 :ANIKNVDGE 1h6lA 348 :QNFKMVPWE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2682 # 1cvmA.319.319 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 319 :ANIKNVDGE 1cvmA 348 :QNFKMVPWE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2683 # 2pooA.319.319 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 319 :ANIKNVDGE 2pooA 348 :QNFKMVPWE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2684 # 1fnf.319.319 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 319 :ANIKNVDGE 1fnf 1461 :QEFTVPGSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2685 # 1qs0A.319.321 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 319 :ANIKNVDGE 1qs0A 323 :PADDWSHFP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.88834 Ang ND2(11) at -22.9159 -27.3 94.345 in (null):N-9999 (2) and CG1(18) at -22.5688 -28.1749 91.6143 in (null):I-9999 (3) Number of specific fragments= 1 total=2686 # 1fnf.320.324 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 320 :NIKNVDGEI 1fnf 1466 :PGSKSTATI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2687 # 1h6lA.320.320 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 320 :NIKNVDGEI 1h6lA 349 :NFKMVPWER Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46807 Ang CG1(38) at 15.407 2.206 28.896 in (null):V-9999 (5) and CD1(68) at 16.0972 1.74532 31.2204 in (null):I-9999 (9) other bump:3.05981 Ang CG1(38) at 15.407 2.206 28.896 in (null):V-9999 (5) and CG1(66) at 16.0319 0.221835 31.1399 in (null):I-9999 (9) Number of specific fragments= 1 total=2688 # 1cvmA.320.320 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 320 :NIKNVDGEI 1cvmA 349 :NFKMVPWER Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15525 Ang CG1(38) at 15.839 2.691 29.074 in (null):V-9999 (5) and CD1(68) at 16.5127 2.23729 31.0704 in (null):I-9999 (9) other bump:2.88287 Ang CG1(38) at 15.839 2.691 29.074 in (null):V-9999 (5) and CG1(66) at 16.4599 0.711212 31.0755 in (null):I-9999 (9) Number of specific fragments= 1 total=2689 # 2pooA.320.320 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 320 :NIKNVDGEI 2pooA 349 :NFKMVPWER Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2690 # 1fnf.320.320 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 320 :NIKNVDGEI 1fnf 1462 :EFTVPGSKS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2691 # 1qs0A.320.322 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 320 :NIKNVDGEI 1qs0A 324 :ADDWSHFPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2692 # 1fnf.321.325 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 321 :IKNVDGEID 1fnf 1467 :GSKSTATIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2693 # 1h6lA.321.321 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 321 :IKNVDGEID 1h6lA 350 :FKMVPWERI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46804 Ang CG1(30) at 15.407 2.206 28.896 in (null):V-9999 (4) and CD1(60) at 16.0971 1.74531 31.2204 in (null):I-9999 (8) other bump:3.0598 Ang CG1(30) at 15.407 2.206 28.896 in (null):V-9999 (4) and CG1(58) at 16.0319 0.221829 31.1399 in (null):I-9999 (8) Number of specific fragments= 1 total=2694 # 1cvmA.321.321 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 321 :IKNVDGEID 1cvmA 350 :FKMVPWERI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15526 Ang CG1(30) at 15.839 2.691 29.074 in (null):V-9999 (4) and CD1(60) at 16.5127 2.2373 31.0704 in (null):I-9999 (8) other bump:2.88288 Ang CG1(30) at 15.839 2.691 29.074 in (null):V-9999 (4) and CG1(58) at 16.4599 0.71121 31.0755 in (null):I-9999 (8) Number of specific fragments= 1 total=2695 # 2pooA.321.321 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 321 :IKNVDGEID 2pooA 350 :FKMVPWERI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.08466 Ang CG1(30) at 15.737 2.685 29.122 in (null):V-9999 (4) and CD1(60) at 16.2985 2.20407 31.0712 in (null):I-9999 (8) other bump:2.85989 Ang CG1(30) at 15.737 2.685 29.122 in (null):V-9999 (4) and CG1(58) at 16.3343 0.677483 31.0693 in (null):I-9999 (8) Number of specific fragments= 1 total=2696 # 1fnf.321.321 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 321 :IKNVDGEID 1fnf 1463 :FTVPGSKST Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2697 # 1qs0A.321.323 read from T0147_twice.t2k.frag # found chain 1qs0A in template set T0147_twice 321 :IKNVDGEID 1qs0A 325 :DDWSHFPLG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44837 Ang CB(65) at -9.89991 -28.3931 85.4209 in (null):D-9999 (9) and N(71) at -8.016 -28.886 86.905 in (null):G-9999 (10) self-bump: 1.3732 Ang CA(64) at -9.261 -27.213 85.712 in (null):D-9999 (9) and CB(65) at -9.89991 -28.3931 85.4209 in (null):D-9999 (9) Number of specific fragments= 1 total=2698 # 1h6lA.322.322 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 322 :KNVDGEIDC 1h6lA 351 :KMVPWERIA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46804 Ang CG1(22) at 15.407 2.206 28.896 in (null):V-9999 (3) and CD1(52) at 16.0971 1.74531 31.2204 in (null):I-9999 (7) other bump:3.0598 Ang CG1(22) at 15.407 2.206 28.896 in (null):V-9999 (3) and CG1(50) at 16.0319 0.221829 31.1399 in (null):I-9999 (7) Number of specific fragments= 1 total=2699 # 1cvmA.322.322 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 322 :KNVDGEIDC 1cvmA 351 :KMVPWERIA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15526 Ang CG1(22) at 15.839 2.691 29.074 in (null):V-9999 (3) and CD1(52) at 16.5127 2.2373 31.0704 in (null):I-9999 (7) other bump:2.88288 Ang CG1(22) at 15.839 2.691 29.074 in (null):V-9999 (3) and CG1(50) at 16.4599 0.71121 31.0755 in (null):I-9999 (7) Number of specific fragments= 1 total=2700 # 1fnf.322.326 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 322 :KNVDGEIDC 1fnf 1468 :SKSTATISG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2701 # 2pooA.322.322 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 322 :KNVDGEIDC 2pooA 351 :KMVPWERIA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.08466 Ang CG1(22) at 15.737 2.685 29.122 in (null):V-9999 (3) and CD1(52) at 16.2985 2.20407 31.0712 in (null):I-9999 (7) other bump:2.85989 Ang CG1(22) at 15.737 2.685 29.122 in (null):V-9999 (3) and CG1(50) at 16.3343 0.677483 31.0693 in (null):I-9999 (7) Number of specific fragments= 1 total=2702 # 1fnf.322.322 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 322 :KNVDGEIDC 1fnf 1464 :TVPGSKSTA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2703 # 1fi4A.322.324 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 322 :KNVDGEIDC 1fi4A 305 :PNAVLYYLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2704 # 1h6lA.323.323 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 323 :NVDGEIDCS 1h6lA 352 :MVPWERIAD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46804 Ang CG1(13) at 15.407 2.206 28.896 in (null):V-9999 (2) and CD1(43) at 16.0971 1.74531 31.2204 in (null):I-9999 (6) other bump:3.0598 Ang CG1(13) at 15.407 2.206 28.896 in (null):V-9999 (2) and CG1(41) at 16.0319 0.221829 31.1399 in (null):I-9999 (6) Number of specific fragments= 1 total=2705 # 1cvmA.323.323 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 323 :NVDGEIDCS 1cvmA 352 :MVPWERIAD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15526 Ang CG1(13) at 15.839 2.691 29.074 in (null):V-9999 (2) and CD1(43) at 16.5127 2.2373 31.0704 in (null):I-9999 (6) other bump:2.88288 Ang CG1(13) at 15.839 2.691 29.074 in (null):V-9999 (2) and CG1(41) at 16.4599 0.71121 31.0755 in (null):I-9999 (6) Number of specific fragments= 1 total=2706 # 2pooA.323.323 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 323 :NVDGEIDCS 2pooA 352 :MVPWERIAD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.08466 Ang CG1(13) at 15.737 2.685 29.122 in (null):V-9999 (2) and CD1(43) at 16.2985 2.20407 31.0712 in (null):I-9999 (6) other bump:2.85989 Ang CG1(13) at 15.737 2.685 29.122 in (null):V-9999 (2) and CG1(41) at 16.3343 0.677483 31.0693 in (null):I-9999 (6) Number of specific fragments= 1 total=2707 # 1fnf.323.327 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 323 :NVDGEIDCS 1fnf 1469 :KSTATISGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2708 # 1fnf.323.323 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 323 :NVDGEIDCS 1fnf 1465 :VPGSKSTAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2709 # 1fi4A.323.325 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 323 :NVDGEIDCS 1fi4A 306 :NAVLYYLAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2710 # 1h6lA.324.324 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 324 :VDGEIDCSG 1h6lA 353 :VPWERIADK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46804 Ang CG1(5) at 15.407 2.206 28.896 in (null):V-9999 (1) and CD1(35) at 16.0971 1.74531 31.2204 in (null):I-9999 (5) other bump:3.0598 Ang CG1(5) at 15.407 2.206 28.896 in (null):V-9999 (1) and CG1(33) at 16.0319 0.221829 31.1399 in (null):I-9999 (5) Number of specific fragments= 1 total=2711 # 1cvmA.324.324 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 324 :VDGEIDCSG 1cvmA 353 :VPWERIADK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15526 Ang CG1(5) at 15.839 2.691 29.074 in (null):V-9999 (1) and CD1(35) at 16.5127 2.2373 31.0704 in (null):I-9999 (5) other bump:2.88288 Ang CG1(5) at 15.839 2.691 29.074 in (null):V-9999 (1) and CG1(33) at 16.4599 0.71121 31.0755 in (null):I-9999 (5) Number of specific fragments= 1 total=2712 # 2pooA.324.324 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 324 :VDGEIDCSG 2pooA 353 :VPWERIADK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.08466 Ang CG1(5) at 15.737 2.685 29.122 in (null):V-9999 (1) and CD1(35) at 16.2985 2.20407 31.0712 in (null):I-9999 (5) other bump:2.85989 Ang CG1(5) at 15.737 2.685 29.122 in (null):V-9999 (1) and CG1(33) at 16.3343 0.677483 31.0693 in (null):I-9999 (5) Number of specific fragments= 1 total=2713 # 1fnf.324.328 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 324 :VDGEIDCSG 1fnf 1470 :STATISGLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2714 # 1fnf.324.324 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 324 :VDGEIDCSG 1fnf 1466 :PGSKSTATI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2715 # 1fi4A.324.326 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 324 :VDGEIDCSG 1fi4A 307 :AVLYYLAEN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2716 # 1h6lA.325.325 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 325 :DGEIDCSGK 1h6lA 354 :PWERIADKI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2717 # 1cvmA.325.325 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 325 :DGEIDCSGK 1cvmA 354 :PWERIADKI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2718 # 1fnf.325.329 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 325 :DGEIDCSGK 1fnf 1471 :TATISGLKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2719 # 2pooA.325.325 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 325 :DGEIDCSGK 2pooA 354 :PWERIADKI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2720 # 1fnf.325.325 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 325 :DGEIDCSGK 1fnf 1467 :GSKSTATIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2721 # 1fi4A.325.327 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 325 :DGEIDCSGK 1fi4A 308 :VLYYLAENE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2722 # 1h6lA.326.326 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 326 :GEIDCSGKM 1h6lA 355 :WERIADKIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2723 # 1cvmA.326.326 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 326 :GEIDCSGKM 1cvmA 355 :WERIADKIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2724 # 2pooA.326.326 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 326 :GEIDCSGKM 2pooA 355 :WERIADKIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2725 # 1fnf.326.330 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 326 :GEIDCSGKM 1fnf 1472 :ATISGLKPG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.63428 Ang C(55) at 33.218 29.106 -62.058 in (null):K-9999 (8) and CB(58) at 35.8018 29.0431 -62.5674 in (null):M-9999 (9) Number of specific fragments= 1 total=2726 # 1fnf.326.326 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 326 :GEIDCSGKM 1fnf 1468 :SKSTATISG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2727 # 1fi4A.326.328 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 326 :GEIDCSGKM 1fi4A 309 :LYYLAENES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2728 # 1h6lA.327.327 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 327 :EIDCSGKMF 1h6lA 356 :ERIADKIGF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2729 # 1cvmA.327.327 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 327 :EIDCSGKMF 1cvmA 356 :ERIADKIGF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.18718 Ang O(50) at 9.484 -10.366 32.324 in (null):K-9999 (7) and CB(54) at 10.1593 -11.6455 33.9643 in (null):M-9999 (8) neighbor-bump: 2.48876 Ang C(51) at 10.047 -9.415 32.866 in (null):K-9999 (7) and CB(54) at 10.1593 -11.6455 33.9643 in (null):M-9999 (8) Number of specific fragments= 1 total=2730 # 2pooA.327.327 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 327 :EIDCSGKMF 2pooA 356 :ERIADKIGF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.30353 Ang SG(30) at 15.6279 -6.80067 28.0412 in (null):C-9999 (4) and CD2(65) at 14.815 -9.974 27.614 in (null):F-9999 (9) neighbor-bump: 2.18759 Ang O(50) at 9.513 -10.503 32.56 in (null):K-9999 (7) and CB(54) at 10.3253 -11.717 34.1885 in (null):M-9999 (8) neighbor-bump: 2.52092 Ang C(51) at 10.135 -9.52 32.967 in (null):K-9999 (7) and CB(54) at 10.3253 -11.717 34.1885 in (null):M-9999 (8) Number of specific fragments= 1 total=2731 # 1fnf.327.331 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 327 :EIDCSGKMF 1fnf 1473 :TISGLKPGV Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09924 Ang C(42) at 30.713 30.59 -61.051 in (null):G-9999 (6) and CE2(67) at 33.1915 32.4211 -61.3818 in (null):F-9999 (9) other bump:2.3415 Ang O(50) at 33.71 30.234 -62.038 in (null):K-9999 (7) and CE2(67) at 33.1915 32.4211 -61.3818 in (null):F-9999 (9) other bump:2.32263 Ang C(42) at 30.713 30.59 -61.051 in (null):G-9999 (6) and CD2(65) at 32.78 31.4593 -60.4459 in (null):F-9999 (9) other bump:2.886 Ang C(51) at 33.218 29.106 -62.058 in (null):K-9999 (7) and CD2(65) at 32.78 31.4593 -60.4459 in (null):F-9999 (9) other bump:2.33709 Ang O(41) at 31.029 29.967 -60.035 in (null):G-9999 (6) and CD2(65) at 32.78 31.4593 -60.4459 in (null):F-9999 (9) other bump:2.94646 Ang CA(40) at 29.908 31.881 -60.951 in (null):G-9999 (6) and CD2(65) at 32.78 31.4593 -60.4459 in (null):F-9999 (9) other bump:2.21386 Ang O(50) at 33.71 30.234 -62.038 in (null):K-9999 (7) and CD2(65) at 32.78 31.4593 -60.4459 in (null):F-9999 (9) other bump:2.667 Ang O(41) at 31.029 29.967 -60.035 in (null):G-9999 (6) and CB(62) at 32.8811 30.4021 -58.1659 in (null):F-9999 (9) neighbor-bump: 2.63428 Ang C(51) at 33.218 29.106 -62.058 in (null):K-9999 (7) and CB(54) at 35.8018 29.0431 -62.5674 in (null):M-9999 (8) Number of specific fragments= 1 total=2732 # 1fnf.327.327 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 327 :EIDCSGKMF 1fnf 1469 :KSTATISGL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19875 Ang O(41) at 22.122 29.023 -58.063 in (null):G-9999 (6) and CZ(68) at 23.6994 28.0823 -56.8541 in (null):F-9999 (9) other bump:2.99695 Ang C(42) at 21.193 29.599 -57.486 in (null):G-9999 (6) and CZ(68) at 23.6994 28.0823 -56.8541 in (null):F-9999 (9) other bump:1.31372 Ang O(41) at 22.122 29.023 -58.063 in (null):G-9999 (6) and CE1(66) at 23.2973 28.4425 -58.1498 in (null):F-9999 (9) other bump:2.49123 Ang C(42) at 21.193 29.599 -57.486 in (null):G-9999 (6) and CE1(66) at 23.2973 28.4425 -58.1498 in (null):F-9999 (9) other bump:2.2974 Ang O(41) at 22.122 29.023 -58.063 in (null):G-9999 (6) and CD1(64) at 24.2164 29.0933 -59.0047 in (null):F-9999 (9) Number of specific fragments= 1 total=2733 # 1fi4A.327.329 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 327 :EIDCSGKMF 1fi4A 310 :YYLAENESK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2734 # 1h6lA.328.328 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 328 :IDCSGKMFD 1h6lA 357 :RIADKIGFH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2735 # 1cvmA.328.328 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 328 :IDCSGKMFD 1cvmA 357 :RIADKIGFH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.18718 Ang O(41) at 9.484 -10.366 32.324 in (null):K-9999 (6) and CB(45) at 10.1593 -11.6455 33.9643 in (null):M-9999 (7) neighbor-bump: 2.48876 Ang C(42) at 10.047 -9.415 32.866 in (null):K-9999 (6) and CB(45) at 10.1593 -11.6455 33.9643 in (null):M-9999 (7) Number of specific fragments= 1 total=2736 # 2pooA.328.328 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 328 :IDCSGKMFD 2pooA 357 :RIADKIGFH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.30353 Ang SG(21) at 15.6279 -6.80067 28.0412 in (null):C-9999 (3) and CD2(56) at 14.815 -9.974 27.614 in (null):F-9999 (8) neighbor-bump: 2.18759 Ang O(41) at 9.513 -10.503 32.56 in (null):K-9999 (6) and CB(45) at 10.3253 -11.717 34.1885 in (null):M-9999 (7) neighbor-bump: 2.52092 Ang C(42) at 10.135 -9.52 32.967 in (null):K-9999 (6) and CB(45) at 10.3253 -11.717 34.1885 in (null):M-9999 (7) Number of specific fragments= 1 total=2737 # 1fnf.328.332 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 328 :IDCSGKMFD 1fnf 1474 :ISGLKPGVD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88155 Ang O(41) at 33.71 30.234 -62.038 in (null):K-9999 (6) and CE2(58) at 34.5611 32.7471 -60.9141 in (null):F-9999 (8) other bump:2.55957 Ang O(41) at 33.71 30.234 -62.038 in (null):K-9999 (6) and CD2(56) at 33.8833 31.8606 -60.0694 in (null):F-9999 (8) neighbor-bump: 2.63428 Ang C(42) at 33.218 29.106 -62.058 in (null):K-9999 (6) and CB(45) at 35.8018 29.0431 -62.5674 in (null):M-9999 (7) Number of specific fragments= 1 total=2738 # 1fnf.328.328 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 328 :IDCSGKMFD 1fnf 1470 :STATISGLK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19875 Ang O(32) at 22.122 29.023 -58.063 in (null):G-9999 (5) and CZ(59) at 23.6994 28.0823 -56.8541 in (null):F-9999 (8) other bump:2.99695 Ang C(33) at 21.193 29.599 -57.486 in (null):G-9999 (5) and CZ(59) at 23.6994 28.0823 -56.8541 in (null):F-9999 (8) other bump:1.31373 Ang O(32) at 22.122 29.023 -58.063 in (null):G-9999 (5) and CE1(57) at 23.2973 28.4425 -58.1498 in (null):F-9999 (8) other bump:2.49123 Ang C(33) at 21.193 29.599 -57.486 in (null):G-9999 (5) and CE1(57) at 23.2973 28.4425 -58.1498 in (null):F-9999 (8) other bump:2.29739 Ang O(32) at 22.122 29.023 -58.063 in (null):G-9999 (5) and CD1(55) at 24.2164 29.0933 -59.0047 in (null):F-9999 (8) Number of specific fragments= 1 total=2739 # 2bnh.328.328 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 328 :IDCSGKMFD 2bnh 328 :VSLMLTQNK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2740 # 1h6lA.329.329 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 329 :DCSGKMFDS 1h6lA 358 :IADKIGFHP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2741 # 1cvmA.329.329 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 329 :DCSGKMFDS 1cvmA 358 :IADKIGFHP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59595 Ang CE2(50) at 15.68 -10.453 26.439 in (null):F-9999 (7) and OG(65) at 18.2582 -10.4933 26.7392 in (null):S-9999 (9) other bump:2.80684 Ang CZ(51) at 15.831 -11.803 26.218 in (null):F-9999 (7) and OG(65) at 18.2582 -10.4933 26.7392 in (null):S-9999 (9) neighbor-bump: 2.18718 Ang O(33) at 9.484 -10.366 32.324 in (null):K-9999 (5) and CB(37) at 10.1593 -11.6455 33.9643 in (null):M-9999 (6) neighbor-bump: 2.48876 Ang C(34) at 10.047 -9.415 32.866 in (null):K-9999 (5) and CB(37) at 10.1593 -11.6455 33.9643 in (null):M-9999 (6) Number of specific fragments= 1 total=2742 # 1fnf.329.329 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 329 :DCSGKMFDS 1fnf 1471 :TATISGLKP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19875 Ang O(24) at 22.122 29.023 -58.063 in (null):G-9999 (4) and CZ(51) at 23.6994 28.0823 -56.8541 in (null):F-9999 (7) other bump:2.99695 Ang C(25) at 21.193 29.599 -57.486 in (null):G-9999 (4) and CZ(51) at 23.6994 28.0823 -56.8541 in (null):F-9999 (7) other bump:1.31373 Ang O(24) at 22.122 29.023 -58.063 in (null):G-9999 (4) and CE1(49) at 23.2973 28.4425 -58.1498 in (null):F-9999 (7) other bump:2.49123 Ang C(25) at 21.193 29.599 -57.486 in (null):G-9999 (4) and CE1(49) at 23.2973 28.4425 -58.1498 in (null):F-9999 (7) other bump:2.29739 Ang O(24) at 22.122 29.023 -58.063 in (null):G-9999 (4) and CD1(47) at 24.2164 29.0933 -59.0047 in (null):F-9999 (7) Number of specific fragments= 1 total=2743 # 2pooA.329.329 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 329 :DCSGKMFDS 2pooA 358 :IADKIGFHP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80839 Ang CZ(51) at 15.704 -11.681 26.186 in (null):F-9999 (7) and OG(65) at 18.2854 -10.6842 26.6652 in (null):S-9999 (9) other bump:2.77249 Ang CE2(50) at 15.539 -10.349 26.488 in (null):F-9999 (7) and OG(65) at 18.2854 -10.6842 26.6652 in (null):S-9999 (9) other bump:3.30354 Ang SG(13) at 15.6279 -6.80067 28.0412 in (null):C-9999 (2) and CD2(48) at 14.815 -9.974 27.614 in (null):F-9999 (7) neighbor-bump: 2.18759 Ang O(33) at 9.513 -10.503 32.56 in (null):K-9999 (5) and CB(37) at 10.3253 -11.717 34.1885 in (null):M-9999 (6) neighbor-bump: 2.52092 Ang C(34) at 10.135 -9.52 32.967 in (null):K-9999 (5) and CB(37) at 10.3253 -11.717 34.1885 in (null):M-9999 (6) Number of specific fragments= 1 total=2744 # 1fnf.329.333 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 329 :DCSGKMFDS 1fnf 1475 :SGLKPGVDY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88155 Ang O(33) at 33.71 30.234 -62.038 in (null):K-9999 (5) and CE2(50) at 34.5611 32.7471 -60.9141 in (null):F-9999 (7) other bump:2.55957 Ang O(33) at 33.71 30.234 -62.038 in (null):K-9999 (5) and CD2(48) at 33.8833 31.8606 -60.0694 in (null):F-9999 (7) neighbor-bump: 2.63428 Ang C(34) at 33.218 29.106 -62.058 in (null):K-9999 (5) and CB(37) at 35.8018 29.0431 -62.5674 in (null):M-9999 (6) Number of specific fragments= 1 total=2745 # 2bnh.329.329 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 329 :DCSGKMFDS 2bnh 329 :SLMLTQNKH Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78809 Ang CE2(50) at 9.47134 58.3681 14.5703 in (null):F-9999 (7) and CA(69) at 9.401 55.896 13.283 in (null):G-9999 (10) other bump:2.70643 Ang CD2(48) at 8.41248 59.0908 14.0307 in (null):F-9999 (7) and N(68) at 10.085 57.175 13.105 in (null):G-9999 (10) other bump:1.98675 Ang CE2(50) at 9.47134 58.3681 14.5703 in (null):F-9999 (7) and N(68) at 10.085 57.175 13.105 in (null):G-9999 (10) other bump:2.99753 Ang CZ(51) at 10.2621 58.9352 15.5248 in (null):F-9999 (7) and N(68) at 10.085 57.175 13.105 in (null):G-9999 (10) other bump:2.89216 Ang CE2(50) at 9.47134 58.3681 14.5703 in (null):F-9999 (7) and C(67) at 11.352 57.238 12.686 in (null):S-9999 (9) other bump:2.74313 Ang CZ(51) at 10.2621 58.9352 15.5248 in (null):F-9999 (7) and CB(64) at 12.4486 59.1136 13.8779 in (null):S-9999 (9) Number of specific fragments= 1 total=2746 # 1h6lA.330.330 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 330 :CSGKMFDSL 1h6lA 359 :ADKIGFHPQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2747 # 1cvmA.330.330 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 330 :CSGKMFDSL 1cvmA 359 :ADKIGFHPQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.18718 Ang O(25) at 9.484 -10.366 32.324 in (null):K-9999 (4) and CB(29) at 10.1593 -11.6455 33.9643 in (null):M-9999 (5) neighbor-bump: 2.48876 Ang C(26) at 10.047 -9.415 32.866 in (null):K-9999 (4) and CB(29) at 10.1593 -11.6455 33.9643 in (null):M-9999 (5) Number of specific fragments= 1 total=2748 # 1fnf.330.330 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 330 :CSGKMFDSL 1fnf 1472 :ATISGLKPG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62321 Ang C(59) at 33.218 29.106 -62.058 in (null):S-9999 (8) and CB(62) at 35.783 29.0068 -62.5985 in (null):L-9999 (9) other bump:2.99695 Ang C(17) at 21.193 29.599 -57.486 in (null):G-9999 (3) and CZ(43) at 23.6994 28.0823 -56.8541 in (null):F-9999 (6) other bump:2.19875 Ang O(16) at 22.122 29.023 -58.063 in (null):G-9999 (3) and CZ(43) at 23.6994 28.0823 -56.8541 in (null):F-9999 (6) other bump:2.49123 Ang C(17) at 21.193 29.599 -57.486 in (null):G-9999 (3) and CE1(41) at 23.2973 28.4425 -58.1498 in (null):F-9999 (6) other bump:1.31373 Ang O(16) at 22.122 29.023 -58.063 in (null):G-9999 (3) and CE1(41) at 23.2973 28.4425 -58.1498 in (null):F-9999 (6) other bump:2.29739 Ang O(16) at 22.122 29.023 -58.063 in (null):G-9999 (3) and CD1(39) at 24.2164 29.0933 -59.0047 in (null):F-9999 (6) Number of specific fragments= 1 total=2749 # 2pooA.330.330 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 330 :CSGKMFDSL 2pooA 359 :ADKIGFHPQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.30353 Ang SG(5) at 15.6279 -6.80067 28.0412 in (null):C-9999 (1) and CD2(40) at 14.815 -9.974 27.614 in (null):F-9999 (6) neighbor-bump: 2.18759 Ang O(25) at 9.513 -10.503 32.56 in (null):K-9999 (4) and CB(29) at 10.3253 -11.717 34.1885 in (null):M-9999 (5) neighbor-bump: 2.52092 Ang C(26) at 10.135 -9.52 32.967 in (null):K-9999 (4) and CB(29) at 10.3253 -11.717 34.1885 in (null):M-9999 (5) Number of specific fragments= 1 total=2750 # 1qpaA.330.195 read from T0147_twice.t2k.frag # adding 1qpaA to template set 1qpaA:# found chain 1qpaA in template set T0147_twice 330 :CSGKMFDSL 1qpaA 195 :STPGQFDSQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2751 # 1fnf.330.334 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 330 :CSGKMFDSL 1fnf 1476 :GLKPGVDYT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88155 Ang O(25) at 33.71 30.234 -62.038 in (null):K-9999 (4) and CE2(42) at 34.5611 32.7471 -60.9141 in (null):F-9999 (6) other bump:2.55957 Ang O(25) at 33.71 30.234 -62.038 in (null):K-9999 (4) and CD2(40) at 33.8833 31.8606 -60.0694 in (null):F-9999 (6) neighbor-bump: 2.63428 Ang C(26) at 33.218 29.106 -62.058 in (null):K-9999 (4) and CB(29) at 35.8018 29.0431 -62.5674 in (null):M-9999 (5) Number of specific fragments= 1 total=2752 # 1qpaA.331.196 read from T0147_twice.t2k.frag # found chain 1qpaA in template set T0147_twice 331 :SGKMFDSLD 1qpaA 196 :TPGQFDSQF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2753 # 1h6lA.331.331 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 331 :SGKMFDSLD 1h6lA 360 :DKIGFHPQV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2754 # 1cvmA.331.331 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 331 :SGKMFDSLD 1cvmA 360 :DKIGFHPQV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.18718 Ang O(19) at 9.484 -10.366 32.324 in (null):K-9999 (3) and CB(23) at 10.1593 -11.6455 33.9643 in (null):M-9999 (4) neighbor-bump: 2.48876 Ang C(20) at 10.047 -9.415 32.866 in (null):K-9999 (3) and CB(23) at 10.1593 -11.6455 33.9643 in (null):M-9999 (4) Number of specific fragments= 1 total=2755 # 2pooA.331.331 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 331 :SGKMFDSLD 2pooA 360 :DKIGFHPQV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.18759 Ang O(19) at 9.513 -10.503 32.56 in (null):K-9999 (3) and CB(23) at 10.3253 -11.717 34.1885 in (null):M-9999 (4) neighbor-bump: 2.52092 Ang C(20) at 10.135 -9.52 32.967 in (null):K-9999 (3) and CB(23) at 10.3253 -11.717 34.1885 in (null):M-9999 (4) Number of specific fragments= 1 total=2756 # 1fnf.331.331 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 331 :SGKMFDSLD 1fnf 1473 :TISGLKPGV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62321 Ang C(53) at 33.218 29.106 -62.058 in (null):S-9999 (7) and CB(56) at 35.783 29.0068 -62.5985 in (null):L-9999 (8) other bump:2.19875 Ang O(10) at 22.122 29.023 -58.063 in (null):G-9999 (2) and CZ(37) at 23.6994 28.0823 -56.8541 in (null):F-9999 (5) other bump:2.99695 Ang C(11) at 21.193 29.599 -57.486 in (null):G-9999 (2) and CZ(37) at 23.6994 28.0823 -56.8541 in (null):F-9999 (5) other bump:1.31373 Ang O(10) at 22.122 29.023 -58.063 in (null):G-9999 (2) and CE1(35) at 23.2973 28.4425 -58.1498 in (null):F-9999 (5) other bump:2.49123 Ang C(11) at 21.193 29.599 -57.486 in (null):G-9999 (2) and CE1(35) at 23.2973 28.4425 -58.1498 in (null):F-9999 (5) other bump:2.29739 Ang O(10) at 22.122 29.023 -58.063 in (null):G-9999 (2) and CD1(33) at 24.2164 29.0933 -59.0047 in (null):F-9999 (5) Number of specific fragments= 1 total=2757 # 1fnf.331.335 read from T0147_twice.t2k.frag # found chain 1fnf in template set T0147_twice 331 :SGKMFDSLD 1fnf 1477 :LKPGVDYTI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88155 Ang O(19) at 33.71 30.234 -62.038 in (null):K-9999 (3) and CE2(36) at 34.5611 32.7471 -60.9141 in (null):F-9999 (5) other bump:2.55957 Ang O(19) at 33.71 30.234 -62.038 in (null):K-9999 (3) and CD2(34) at 33.8833 31.8606 -60.0694 in (null):F-9999 (5) neighbor-bump: 2.63428 Ang C(20) at 33.218 29.106 -62.058 in (null):K-9999 (3) and CB(23) at 35.8018 29.0431 -62.5674 in (null):M-9999 (4) Number of specific fragments= 1 total=2758 # 1qpaA.332.197 read from T0147_twice.t2k.frag # found chain 1qpaA in template set T0147_twice 332 :GKMFDSLDL 1qpaA 197 :PGQFDSQFF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2759 # 1h6lA.332.332 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 332 :GKMFDSLDL 1h6lA 361 :KIGFHPQVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2760 # 1cvmA.332.332 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 332 :GKMFDSLDL 1cvmA 361 :KIGFHPQVN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.18718 Ang O(13) at 9.484 -10.366 32.324 in (null):K-9999 (2) and CB(17) at 10.1593 -11.6455 33.9643 in (null):M-9999 (3) neighbor-bump: 2.48876 Ang C(14) at 10.047 -9.415 32.866 in (null):K-9999 (2) and CB(17) at 10.1593 -11.6455 33.9643 in (null):M-9999 (3) Number of specific fragments= 1 total=2761 # 2pooA.332.332 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 332 :GKMFDSLDL 2pooA 361 :KIGFHPQVN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.18759 Ang O(13) at 9.513 -10.503 32.56 in (null):K-9999 (2) and CB(17) at 10.3253 -11.717 34.1885 in (null):M-9999 (3) neighbor-bump: 2.52092 Ang C(14) at 10.135 -9.52 32.967 in (null):K-9999 (2) and CB(17) at 10.3253 -11.717 34.1885 in (null):M-9999 (3) Number of specific fragments= 1 total=2762 # 1fi4A.332.334 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 332 :GKMFDSLDL 1fi4A 315 :NESKLFAFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2763 # 2bnh.332.332 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 332 :GKMFDSLDL 2bnh 332 :LTQNKHLLE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01524 Ang CD2(28) at 8.41248 59.0908 14.0307 in (null):F-9999 (4) and CB(50) at 8.007 56.107 13.876 in (null):L-9999 (7) other bump:2.78191 Ang CE2(30) at 9.47134 58.3681 14.5703 in (null):F-9999 (4) and CB(50) at 8.007 56.107 13.876 in (null):L-9999 (7) other bump:2.78809 Ang CE2(30) at 9.47134 58.3681 14.5703 in (null):F-9999 (4) and CA(49) at 9.401 55.896 13.283 in (null):L-9999 (7) other bump:2.70643 Ang CD2(28) at 8.41248 59.0908 14.0307 in (null):F-9999 (4) and N(48) at 10.085 57.175 13.105 in (null):L-9999 (7) other bump:1.98675 Ang CE2(30) at 9.47134 58.3681 14.5703 in (null):F-9999 (4) and N(48) at 10.085 57.175 13.105 in (null):L-9999 (7) other bump:2.99753 Ang CZ(31) at 10.2621 58.9352 15.5248 in (null):F-9999 (4) and N(48) at 10.085 57.175 13.105 in (null):L-9999 (7) other bump:2.89216 Ang CE2(30) at 9.47134 58.3681 14.5703 in (null):F-9999 (4) and C(47) at 11.352 57.238 12.686 in (null):S-9999 (6) other bump:2.53992 Ang CE2(30) at 9.47134 58.3681 14.5703 in (null):F-9999 (4) and OG(45) at 11.9598 58.8176 14.8087 in (null):S-9999 (6) other bump:1.84625 Ang CZ(31) at 10.2621 58.9352 15.5248 in (null):F-9999 (4) and OG(45) at 11.9598 58.8176 14.8087 in (null):S-9999 (6) other bump:2.6368 Ang CE1(29) at 10.0261 60.2252 15.9188 in (null):F-9999 (4) and OG(45) at 11.9598 58.8176 14.8087 in (null):S-9999 (6) Number of specific fragments= 1 total=2764 # 1qpaA.333.198 read from T0147_twice.t2k.frag # found chain 1qpaA in template set T0147_twice 333 :KMFDSLDLI 1qpaA 198 :GQFDSQFFV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2765 # 1h6lA.333.333 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 333 :KMFDSLDLI 1h6lA 362 :IGFHPQVNK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64549 Ang CG(47) at 23.7094 -16.6545 27.0557 in (null):L-9999 (6) and CD1(73) at 23.5536 -18.5758 25.2439 in (null):I-9999 (9) other bump:1.25584 Ang CD2(49) at 23.6779 -18.0139 26.3601 in (null):L-9999 (6) and CD1(73) at 23.5536 -18.5758 25.2439 in (null):I-9999 (9) other bump:2.34355 Ang CD2(49) at 23.6779 -18.0139 26.3601 in (null):L-9999 (6) and CG1(71) at 23.8919 -17.6939 24.0484 in (null):I-9999 (9) other bump:3.02607 Ang CD2(49) at 23.6779 -18.0139 26.3601 in (null):L-9999 (6) and CB(70) at 22.8497 -16.5698 23.8331 in (null):I-9999 (9) Number of specific fragments= 1 total=2766 # 1cvmA.333.333 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 333 :KMFDSLDLI 1cvmA 362 :IGFHPQVNK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.75281 Ang CD2(49) at 24.093 -17.3675 27.0882 in (null):L-9999 (6) and CD1(73) at 24.5984 -18.1259 25.591 in (null):I-9999 (9) other bump:2.75916 Ang CD2(49) at 24.093 -17.3675 27.0882 in (null):L-9999 (6) and CG1(71) at 24.8074 -17.1601 24.4312 in (null):I-9999 (9) other bump:3.08517 Ang CD2(49) at 24.093 -17.3675 27.0882 in (null):L-9999 (6) and CB(70) at 23.6425 -16.1506 24.2892 in (null):I-9999 (9) neighbor-bump: 2.18718 Ang O(9) at 9.484 -10.366 32.324 in (null):K-9999 (1) and CB(13) at 10.1593 -11.6455 33.9643 in (null):M-9999 (2) neighbor-bump: 2.48877 Ang C(10) at 10.047 -9.415 32.866 in (null):K-9999 (1) and CB(13) at 10.1593 -11.6455 33.9643 in (null):M-9999 (2) Number of specific fragments= 1 total=2767 # 1fi4A.333.335 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 333 :KMFDSLDLI 1fi4A 316 :ESKLFAFIY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2768 # 2pooA.333.333 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 333 :KMFDSLDLI 2pooA 362 :IGFHPQVNK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.93119 Ang CD2(49) at 24.2553 -17.4381 27.1408 in (null):L-9999 (6) and CD1(73) at 24.8812 -18.1228 25.447 in (null):I-9999 (9) other bump:2.9516 Ang CD2(49) at 24.2553 -17.4381 27.1408 in (null):L-9999 (6) and CG1(71) at 25.0194 -17.1207 24.3075 in (null):I-9999 (9) neighbor-bump: 2.18759 Ang O(9) at 9.513 -10.503 32.56 in (null):K-9999 (1) and CB(13) at 10.3253 -11.717 34.1885 in (null):M-9999 (2) neighbor-bump: 2.52092 Ang C(10) at 10.135 -9.52 32.967 in (null):K-9999 (1) and CB(13) at 10.3253 -11.717 34.1885 in (null):M-9999 (2) Number of specific fragments= 1 total=2769 # 2bnh.333.333 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 333 :KMFDSLDLI 2bnh 333 :TQNKHLLEL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01524 Ang CD2(24) at 8.41248 59.0908 14.0307 in (null):F-9999 (3) and CB(46) at 8.007 56.107 13.876 in (null):L-9999 (6) other bump:2.78191 Ang CE2(26) at 9.47133 58.3681 14.5703 in (null):F-9999 (3) and CB(46) at 8.007 56.107 13.876 in (null):L-9999 (6) other bump:2.78809 Ang CE2(26) at 9.47133 58.3681 14.5703 in (null):F-9999 (3) and CA(45) at 9.401 55.896 13.283 in (null):L-9999 (6) other bump:2.70643 Ang CD2(24) at 8.41248 59.0908 14.0307 in (null):F-9999 (3) and N(44) at 10.085 57.175 13.105 in (null):L-9999 (6) other bump:1.98675 Ang CE2(26) at 9.47133 58.3681 14.5703 in (null):F-9999 (3) and N(44) at 10.085 57.175 13.105 in (null):L-9999 (6) other bump:2.99753 Ang CZ(27) at 10.2621 58.9352 15.5248 in (null):F-9999 (3) and N(44) at 10.085 57.175 13.105 in (null):L-9999 (6) other bump:2.89216 Ang CE2(26) at 9.47133 58.3681 14.5703 in (null):F-9999 (3) and C(43) at 11.352 57.238 12.686 in (null):S-9999 (5) other bump:2.53992 Ang CE2(26) at 9.47133 58.3681 14.5703 in (null):F-9999 (3) and OG(41) at 11.9598 58.8176 14.8087 in (null):S-9999 (5) other bump:1.84625 Ang CZ(27) at 10.2621 58.9352 15.5248 in (null):F-9999 (3) and OG(41) at 11.9598 58.8176 14.8087 in (null):S-9999 (5) other bump:2.63679 Ang CE1(25) at 10.0261 60.2252 15.9188 in (null):F-9999 (3) and OG(41) at 11.9598 58.8176 14.8087 in (null):S-9999 (5) Number of specific fragments= 1 total=2770 # 1qpaA.334.199 read from T0147_twice.t2k.frag # found chain 1qpaA in template set T0147_twice 334 :MFDSLDLII 1qpaA 199 :QFDSQFFVE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2771 # 1h6lA.334.334 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 334 :MFDSLDLII 1h6lA 363 :GFHPQVNKQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64549 Ang CG(38) at 23.7094 -16.6545 27.0557 in (null):L-9999 (5) and CD1(64) at 23.5536 -18.5758 25.2439 in (null):I-9999 (8) other bump:1.25585 Ang CD2(40) at 23.6779 -18.0139 26.3601 in (null):L-9999 (5) and CD1(64) at 23.5536 -18.5758 25.2439 in (null):I-9999 (8) other bump:2.34355 Ang CD2(40) at 23.6779 -18.0139 26.3601 in (null):L-9999 (5) and CG1(62) at 23.8919 -17.6939 24.0483 in (null):I-9999 (8) other bump:3.02607 Ang CD2(40) at 23.6779 -18.0139 26.3601 in (null):L-9999 (5) and CB(61) at 22.8497 -16.5698 23.8331 in (null):I-9999 (8) Number of specific fragments= 1 total=2772 # 1cvmA.334.334 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 334 :MFDSLDLII 1cvmA 363 :GFHPQVNKQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.7528 Ang CD2(40) at 24.093 -17.3675 27.0882 in (null):L-9999 (5) and CD1(64) at 24.5984 -18.1259 25.591 in (null):I-9999 (8) other bump:2.75915 Ang CD2(40) at 24.093 -17.3675 27.0882 in (null):L-9999 (5) and CG1(62) at 24.8074 -17.1601 24.4313 in (null):I-9999 (8) other bump:3.08517 Ang CD2(40) at 24.093 -17.3675 27.0882 in (null):L-9999 (5) and CB(61) at 23.6425 -16.1506 24.2892 in (null):I-9999 (8) Number of specific fragments= 1 total=2773 # 2pooA.334.334 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 334 :MFDSLDLII 2pooA 363 :GFHPQVNKQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.93121 Ang CD2(40) at 24.2553 -17.4381 27.1408 in (null):L-9999 (5) and CD1(64) at 24.8812 -18.1228 25.447 in (null):I-9999 (8) other bump:2.95162 Ang CD2(40) at 24.2553 -17.4381 27.1408 in (null):L-9999 (5) and CG1(62) at 25.0194 -17.1207 24.3075 in (null):I-9999 (8) Number of specific fragments= 1 total=2774 # 1fi4A.334.336 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 334 :MFDSLDLII 1fi4A 317 :SKLFAFIYK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.03448 Ang O(41) at 17.108 79.345 36.418 in (null):L-9999 (5) and CD1(72) at 16.5418 80.3003 38.1227 in (null):I-9999 (9) Number of specific fragments= 1 total=2775 # 2bnh.334.334 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 334 :MFDSLDLII 2bnh 334 :QNKHLLELQ Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01524 Ang CD2(15) at 8.41248 59.0908 14.0307 in (null):F-9999 (2) and CB(37) at 8.007 56.107 13.876 in (null):L-9999 (5) other bump:2.7819 Ang CE2(17) at 9.47133 58.3681 14.5703 in (null):F-9999 (2) and CB(37) at 8.007 56.107 13.876 in (null):L-9999 (5) other bump:2.78809 Ang CE2(17) at 9.47133 58.3681 14.5703 in (null):F-9999 (2) and CA(36) at 9.401 55.896 13.283 in (null):L-9999 (5) other bump:2.70643 Ang CD2(15) at 8.41248 59.0908 14.0307 in (null):F-9999 (2) and N(35) at 10.085 57.175 13.105 in (null):L-9999 (5) other bump:1.98675 Ang CE2(17) at 9.47133 58.3681 14.5703 in (null):F-9999 (2) and N(35) at 10.085 57.175 13.105 in (null):L-9999 (5) other bump:2.99753 Ang CZ(18) at 10.2621 58.9352 15.5248 in (null):F-9999 (2) and N(35) at 10.085 57.175 13.105 in (null):L-9999 (5) other bump:2.89216 Ang CE2(17) at 9.47133 58.3681 14.5703 in (null):F-9999 (2) and C(34) at 11.352 57.238 12.686 in (null):S-9999 (4) other bump:2.53992 Ang CE2(17) at 9.47133 58.3681 14.5703 in (null):F-9999 (2) and OG(32) at 11.9598 58.8176 14.8087 in (null):S-9999 (4) other bump:1.84625 Ang CZ(18) at 10.2621 58.9352 15.5248 in (null):F-9999 (2) and OG(32) at 11.9598 58.8176 14.8087 in (null):S-9999 (4) other bump:2.6368 Ang CE1(16) at 10.0261 60.2252 15.9188 in (null):F-9999 (2) and OG(32) at 11.9598 58.8176 14.8087 in (null):S-9999 (4) Number of specific fragments= 1 total=2776 # 1qpaA.335.200 read from T0147_twice.t2k.frag # found chain 1qpaA in template set T0147_twice 335 :FDSLDLIIA 1qpaA 200 :FDSQFFVET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2777 # 1h6lA.335.335 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 335 :FDSLDLIIA 1h6lA 364 :FHPQVNKQV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.25585 Ang CD2(32) at 23.6779 -18.0139 26.3601 in (null):L-9999 (4) and CD1(56) at 23.5536 -18.5758 25.2439 in (null):I-9999 (7) other bump:2.64549 Ang CG(30) at 23.7094 -16.6545 27.0557 in (null):L-9999 (4) and CD1(56) at 23.5536 -18.5758 25.2439 in (null):I-9999 (7) other bump:2.34355 Ang CD2(32) at 23.6779 -18.0139 26.3601 in (null):L-9999 (4) and CG1(54) at 23.8919 -17.6939 24.0483 in (null):I-9999 (7) other bump:3.02607 Ang CD2(32) at 23.6779 -18.0139 26.3601 in (null):L-9999 (4) and CB(53) at 22.8497 -16.5698 23.8331 in (null):I-9999 (7) Number of specific fragments= 1 total=2778 # 1cvmA.335.335 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 335 :FDSLDLIIA 1cvmA 364 :FHPQVNKQV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.7528 Ang CD2(32) at 24.093 -17.3675 27.0882 in (null):L-9999 (4) and CD1(56) at 24.5984 -18.1259 25.591 in (null):I-9999 (7) other bump:2.75915 Ang CD2(32) at 24.093 -17.3675 27.0882 in (null):L-9999 (4) and CG1(54) at 24.8074 -17.1601 24.4313 in (null):I-9999 (7) other bump:3.08517 Ang CD2(32) at 24.093 -17.3675 27.0882 in (null):L-9999 (4) and CB(53) at 23.6425 -16.1506 24.2892 in (null):I-9999 (7) Number of specific fragments= 1 total=2779 # 1fi4A.335.337 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 335 :FDSLDLIIA 1fi4A 318 :KLFAFIYKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.03449 Ang O(33) at 17.108 79.345 36.418 in (null):L-9999 (4) and CD1(64) at 16.5418 80.3003 38.1227 in (null):I-9999 (8) Number of specific fragments= 1 total=2780 # 2pooA.335.335 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 335 :FDSLDLIIA 2pooA 364 :FHPQVNKQV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.93121 Ang CD2(32) at 24.2553 -17.4381 27.1408 in (null):L-9999 (4) and CD1(56) at 24.8812 -18.1228 25.447 in (null):I-9999 (7) other bump:2.95162 Ang CD2(32) at 24.2553 -17.4381 27.1408 in (null):L-9999 (4) and CG1(54) at 25.0194 -17.1207 24.3075 in (null):I-9999 (7) Number of specific fragments= 1 total=2781 # 2bnh.335.335 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 335 :FDSLDLIIA 2bnh 335 :NKHLLELQL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.04509 Ang CD1(6) at 8.54085 59.1035 13.7821 in (null):F-9999 (1) and CB(29) at 8.007 56.107 13.876 in (null):L-9999 (4) other bump:2.80518 Ang CE1(8) at 9.55048 58.3912 14.3949 in (null):F-9999 (1) and CB(29) at 8.007 56.107 13.876 in (null):L-9999 (4) other bump:2.73579 Ang CE1(8) at 9.55048 58.3912 14.3949 in (null):F-9999 (1) and CA(28) at 9.401 55.896 13.283 in (null):L-9999 (4) other bump:2.56159 Ang CD1(6) at 8.54085 59.1035 13.7821 in (null):F-9999 (1) and N(27) at 10.085 57.175 13.105 in (null):L-9999 (4) other bump:1.85167 Ang CE1(8) at 9.55048 58.3912 14.3949 in (null):F-9999 (1) and N(27) at 10.085 57.175 13.105 in (null):L-9999 (4) other bump:3.00826 Ang CZ(10) at 9.96388 58.7122 15.688 in (null):F-9999 (1) and N(27) at 10.085 57.175 13.105 in (null):L-9999 (4) other bump:2.73782 Ang CE1(8) at 9.55048 58.3912 14.3949 in (null):F-9999 (1) and C(26) at 11.352 57.238 12.686 in (null):S-9999 (3) other bump:2.48148 Ang CE1(8) at 9.55048 58.3912 14.3949 in (null):F-9999 (1) and OG(24) at 11.9598 58.8176 14.8087 in (null):S-9999 (3) other bump:2.18355 Ang CZ(10) at 9.96388 58.7122 15.688 in (null):F-9999 (1) and OG(24) at 11.9598 58.8176 14.8087 in (null):S-9999 (3) Number of specific fragments= 1 total=2782 # 1fi4A.336.338 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 336 :DSLDLIIAG 1fi4A 319 :LFAFIYKLF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.03449 Ang O(22) at 17.108 79.345 36.418 in (null):L-9999 (3) and CD1(53) at 16.5418 80.3003 38.1227 in (null):I-9999 (7) Number of specific fragments= 1 total=2783 # 2bnh.336.336 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 336 :DSLDLIIAG 2bnh 336 :KHLLELQLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3398 Ang CA(11) at 11.971 58.612 12.521 in (null):S-9999 (2) and CB(12) at 12.8505 58.7602 13.5208 in (null):S-9999 (2) Number of specific fragments= 1 total=2784 # 1h6lA.336.336 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 336 :DSLDLIIAG 1h6lA 365 :HPQVNKQVD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64549 Ang CG(19) at 23.7094 -16.6545 27.0557 in (null):L-9999 (3) and CD1(45) at 23.5536 -18.5758 25.2439 in (null):I-9999 (6) other bump:1.25585 Ang CD2(21) at 23.6779 -18.0139 26.3601 in (null):L-9999 (3) and CD1(45) at 23.5536 -18.5758 25.2439 in (null):I-9999 (6) other bump:2.34355 Ang CD2(21) at 23.6779 -18.0139 26.3601 in (null):L-9999 (3) and CG1(43) at 23.8919 -17.6939 24.0483 in (null):I-9999 (6) other bump:3.02607 Ang CD2(21) at 23.6779 -18.0139 26.3601 in (null):L-9999 (3) and CB(42) at 22.8497 -16.5698 23.8331 in (null):I-9999 (6) Number of specific fragments= 1 total=2785 # 1cvmA.336.336 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 336 :DSLDLIIAG 1cvmA 365 :HPQVNKQVD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.75281 Ang CD2(21) at 24.0931 -17.3675 27.0882 in (null):L-9999 (3) and CD1(45) at 24.5984 -18.1259 25.591 in (null):I-9999 (6) other bump:2.75916 Ang CD2(21) at 24.0931 -17.3675 27.0882 in (null):L-9999 (3) and CG1(43) at 24.8074 -17.1601 24.4312 in (null):I-9999 (6) other bump:3.08517 Ang CD2(21) at 24.0931 -17.3675 27.0882 in (null):L-9999 (3) and CB(42) at 23.6425 -16.1506 24.2892 in (null):I-9999 (6) Number of specific fragments= 1 total=2786 # 1qpaA.336.201 read from T0147_twice.t2k.frag # found chain 1qpaA in template set T0147_twice 336 :DSLDLIIAG 1qpaA 201 :DSQFFVETQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2787 # 2pooA.336.336 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 336 :DSLDLIIAG 2pooA 365 :HPQVNKQVD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.93121 Ang CD2(21) at 24.2554 -17.4381 27.1408 in (null):L-9999 (3) and CD1(45) at 24.8812 -18.1228 25.447 in (null):I-9999 (6) other bump:2.95161 Ang CD2(21) at 24.2554 -17.4381 27.1408 in (null):L-9999 (3) and CG1(43) at 25.0194 -17.1207 24.3075 in (null):I-9999 (6) Number of specific fragments= 1 total=2788 # 2bnh.337.337 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 337 :SLDLIIAGF 2bnh 337 :HLLELQLSS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2789 # 1fi4A.337.339 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 337 :SLDLIIAGF 1fi4A 320 :FAFIYKLFG Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7258 Ang CA(41) at 15.891 76.574 39.167 in (null):I-9999 (6) and CZ(65) at 18.5712 76.8203 39.5981 in (null):F-9999 (9) other bump:3.17785 Ang CA(33) at 18.559 74.533 37.392 in (null):I-9999 (5) and CZ(65) at 18.5712 76.8203 39.5981 in (null):F-9999 (9) other bump:2.37139 Ang C(39) at 17.578 74.983 38.475 in (null):I-9999 (5) and CZ(65) at 18.5712 76.8203 39.5981 in (null):F-9999 (9) other bump:2.32756 Ang N(40) at 16.859 76.067 38.213 in (null):I-9999 (6) and CZ(65) at 18.5712 76.8203 39.5981 in (null):F-9999 (9) other bump:2.93125 Ang CG1(43) at 16.7257 78.966 38.8351 in (null):I-9999 (6) and CZ(65) at 18.5712 76.8203 39.5981 in (null):F-9999 (9) other bump:2.93144 Ang CB(34) at 19.9588 75.0898 37.6815 in (null):I-9999 (5) and CZ(65) at 18.5712 76.8203 39.5981 in (null):F-9999 (9) other bump:2.08375 Ang CG2(36) at 19.9506 76.5805 38.0548 in (null):I-9999 (5) and CZ(65) at 18.5712 76.8203 39.5981 in (null):F-9999 (9) other bump:2.78105 Ang C(47) at 14.706 75.619 39.216 in (null):I-9999 (6) and CE2(64) at 17.2748 76.4347 39.9016 in (null):F-9999 (9) other bump:1.5729 Ang CA(41) at 15.891 76.574 39.167 in (null):I-9999 (6) and CE2(64) at 17.2748 76.4347 39.9016 in (null):F-9999 (9) other bump:2.69084 Ang CB(42) at 15.4982 78.0374 38.6706 in (null):I-9999 (6) and CE2(64) at 17.2748 76.4347 39.9016 in (null):F-9999 (9) other bump:2.05774 Ang C(39) at 17.578 74.983 38.475 in (null):I-9999 (5) and CE2(64) at 17.2748 76.4347 39.9016 in (null):F-9999 (9) other bump:1.77745 Ang N(40) at 16.859 76.067 38.213 in (null):I-9999 (6) and CE2(64) at 17.2748 76.4347 39.9016 in (null):F-9999 (9) other bump:2.12006 Ang O(38) at 17.467 74.357 39.526 in (null):I-9999 (5) and CE2(64) at 17.2748 76.4347 39.9016 in (null):F-9999 (9) other bump:2.80122 Ang CG1(43) at 16.7257 78.966 38.8351 in (null):I-9999 (6) and CE2(64) at 17.2748 76.4347 39.9016 in (null):F-9999 (9) other bump:2.8825 Ang C(39) at 17.578 74.983 38.475 in (null):I-9999 (5) and CE1(63) at 19.6461 76.12 40.13 in (null):F-9999 (9) other bump:2.6747 Ang CB(34) at 19.9588 75.0898 37.6815 in (null):I-9999 (5) and CE1(63) at 19.6461 76.12 40.13 in (null):F-9999 (9) other bump:2.51723 Ang CG1(35) at 20.585 74.2162 38.7771 in (null):I-9999 (5) and CE1(63) at 19.6461 76.12 40.13 in (null):F-9999 (9) other bump:2.14737 Ang CG2(36) at 19.9506 76.5805 38.0548 in (null):I-9999 (5) and CE1(63) at 19.6461 76.12 40.13 in (null):F-9999 (9) other bump:2.81604 Ang C(47) at 14.706 75.619 39.216 in (null):I-9999 (6) and CD2(62) at 17.0563 75.337 40.7413 in (null):F-9999 (9) other bump:2.3166 Ang CA(41) at 15.891 76.574 39.167 in (null):I-9999 (6) and CD2(62) at 17.0563 75.337 40.7413 in (null):F-9999 (9) other bump:2.35234 Ang C(39) at 17.578 74.983 38.475 in (null):I-9999 (5) and CD2(62) at 17.0563 75.337 40.7413 in (null):F-9999 (9) other bump:2.63897 Ang N(40) at 16.859 76.067 38.213 in (null):I-9999 (6) and CD2(62) at 17.0563 75.337 40.7413 in (null):F-9999 (9) other bump:1.61428 Ang O(38) at 17.467 74.357 39.526 in (null):I-9999 (5) and CD2(62) at 17.0563 75.337 40.7413 in (null):F-9999 (9) other bump:2.51678 Ang O(38) at 17.467 74.357 39.526 in (null):I-9999 (5) and CD1(61) at 19.4195 75.0277 40.9654 in (null):F-9999 (9) other bump:2.60875 Ang CG1(35) at 20.585 74.2162 38.7771 in (null):I-9999 (5) and CD1(61) at 19.4195 75.0277 40.9654 in (null):F-9999 (9) other bump:2.87729 Ang C(39) at 17.578 74.983 38.475 in (null):I-9999 (5) and CG(60) at 18.1263 74.627 41.277 in (null):F-9999 (9) other bump:1.89043 Ang O(38) at 17.467 74.357 39.526 in (null):I-9999 (5) and CG(60) at 18.1263 74.627 41.277 in (null):F-9999 (9) other bump:2.03449 Ang O(14) at 17.108 79.345 36.418 in (null):L-9999 (2) and CD1(45) at 16.5418 80.3003 38.1227 in (null):I-9999 (6) Number of specific fragments= 1 total=2790 # 1h6lA.337.337 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 337 :SLDLIIAGF 1h6lA 366 :PQVNKQVDP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64549 Ang CG(11) at 23.7094 -16.6545 27.0557 in (null):L-9999 (2) and CD1(37) at 23.5536 -18.5758 25.2439 in (null):I-9999 (5) other bump:1.25584 Ang CD2(13) at 23.6779 -18.0139 26.3601 in (null):L-9999 (2) and CD1(37) at 23.5536 -18.5758 25.2439 in (null):I-9999 (5) other bump:2.34355 Ang CD2(13) at 23.6779 -18.0139 26.3601 in (null):L-9999 (2) and CG1(35) at 23.8919 -17.6939 24.0483 in (null):I-9999 (5) other bump:3.02607 Ang CD2(13) at 23.6779 -18.0139 26.3601 in (null):L-9999 (2) and CB(34) at 22.8497 -16.5698 23.8331 in (null):I-9999 (5) Number of specific fragments= 1 total=2791 # 1cvmA.337.337 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 337 :SLDLIIAGF 1cvmA 366 :PQVNKQVDP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.7528 Ang CD2(13) at 24.093 -17.3675 27.0882 in (null):L-9999 (2) and CD1(37) at 24.5984 -18.1259 25.591 in (null):I-9999 (5) other bump:2.75915 Ang CD2(13) at 24.093 -17.3675 27.0882 in (null):L-9999 (2) and CG1(35) at 24.8074 -17.1601 24.4313 in (null):I-9999 (5) other bump:3.08517 Ang CD2(13) at 24.093 -17.3675 27.0882 in (null):L-9999 (2) and CB(34) at 23.6425 -16.1506 24.2892 in (null):I-9999 (5) Number of specific fragments= 1 total=2792 # 2pooA.337.337 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 337 :SLDLIIAGF 2pooA 366 :PQVNKQVDP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.9312 Ang CD2(13) at 24.2553 -17.4381 27.1408 in (null):L-9999 (2) and CD1(37) at 24.8812 -18.1228 25.447 in (null):I-9999 (5) other bump:2.95161 Ang CD2(13) at 24.2553 -17.4381 27.1408 in (null):L-9999 (2) and CG1(35) at 25.0194 -17.1207 24.3075 in (null):I-9999 (5) Number of specific fragments= 1 total=2793 # 1qrrA.337.338 read from T0147_twice.t2k.frag # adding 1qrrA to template set 1qrrA:Skipped atom 526, because occupancy 0.4 <= existing 0.600001 Skipped atom 597, because occupancy 0.2 <= existing 0.800001 # found chain 1qrrA in template set T0147_twice 337 :SLDLIIAGF 1qrrA 339 :HTKLMELGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2794 # 1fi4A.338.340 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 338 :LDLIIAGFH 1fi4A 321 :AFIYKLFGS Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32755 Ang N(34) at 16.859 76.067 38.213 in (null):I-9999 (5) and CZ(59) at 18.5712 76.8203 39.598 in (null):F-9999 (8) other bump:2.7258 Ang CA(35) at 15.891 76.574 39.167 in (null):I-9999 (5) and CZ(59) at 18.5712 76.8203 39.598 in (null):F-9999 (8) other bump:2.93125 Ang CG1(37) at 16.7257 78.966 38.8351 in (null):I-9999 (5) and CZ(59) at 18.5712 76.8203 39.598 in (null):F-9999 (8) other bump:3.17784 Ang CA(27) at 18.559 74.533 37.392 in (null):I-9999 (4) and CZ(59) at 18.5712 76.8203 39.598 in (null):F-9999 (8) other bump:2.93143 Ang CB(28) at 19.9588 75.0898 37.6815 in (null):I-9999 (4) and CZ(59) at 18.5712 76.8203 39.598 in (null):F-9999 (8) other bump:2.08373 Ang CG2(30) at 19.9506 76.5805 38.0548 in (null):I-9999 (4) and CZ(59) at 18.5712 76.8203 39.598 in (null):F-9999 (8) other bump:2.37138 Ang C(33) at 17.578 74.983 38.475 in (null):I-9999 (4) and CZ(59) at 18.5712 76.8203 39.598 in (null):F-9999 (8) other bump:1.77744 Ang N(34) at 16.859 76.067 38.213 in (null):I-9999 (5) and CE2(58) at 17.2748 76.4347 39.9016 in (null):F-9999 (8) other bump:1.57289 Ang CA(35) at 15.891 76.574 39.167 in (null):I-9999 (5) and CE2(58) at 17.2748 76.4347 39.9016 in (null):F-9999 (8) other bump:2.69083 Ang CB(36) at 15.4982 78.0374 38.6706 in (null):I-9999 (5) and CE2(58) at 17.2748 76.4347 39.9016 in (null):F-9999 (8) other bump:2.80122 Ang CG1(37) at 16.7257 78.966 38.8351 in (null):I-9999 (5) and CE2(58) at 17.2748 76.4347 39.9016 in (null):F-9999 (8) other bump:2.78104 Ang C(41) at 14.706 75.619 39.216 in (null):I-9999 (5) and CE2(58) at 17.2748 76.4347 39.9016 in (null):F-9999 (8) other bump:2.12005 Ang O(32) at 17.467 74.357 39.526 in (null):I-9999 (4) and CE2(58) at 17.2748 76.4347 39.9016 in (null):F-9999 (8) other bump:2.05773 Ang C(33) at 17.578 74.983 38.475 in (null):I-9999 (4) and CE2(58) at 17.2748 76.4347 39.9016 in (null):F-9999 (8) other bump:2.51721 Ang CG1(29) at 20.585 74.2162 38.7771 in (null):I-9999 (4) and CE1(57) at 19.6461 76.12 40.13 in (null):F-9999 (8) other bump:2.67468 Ang CB(28) at 19.9588 75.0898 37.6815 in (null):I-9999 (4) and CE1(57) at 19.6461 76.12 40.13 in (null):F-9999 (8) other bump:2.14735 Ang CG2(30) at 19.9506 76.5805 38.0548 in (null):I-9999 (4) and CE1(57) at 19.6461 76.12 40.13 in (null):F-9999 (8) other bump:2.88248 Ang C(33) at 17.578 74.983 38.475 in (null):I-9999 (4) and CE1(57) at 19.6461 76.12 40.13 in (null):F-9999 (8) other bump:2.63896 Ang N(34) at 16.859 76.067 38.213 in (null):I-9999 (5) and CD2(56) at 17.0563 75.3369 40.7413 in (null):F-9999 (8) other bump:2.3166 Ang CA(35) at 15.891 76.574 39.167 in (null):I-9999 (5) and CD2(56) at 17.0563 75.3369 40.7413 in (null):F-9999 (8) other bump:2.81603 Ang C(41) at 14.706 75.619 39.216 in (null):I-9999 (5) and CD2(56) at 17.0563 75.3369 40.7413 in (null):F-9999 (8) other bump:1.61426 Ang O(32) at 17.467 74.357 39.526 in (null):I-9999 (4) and CD2(56) at 17.0563 75.3369 40.7413 in (null):F-9999 (8) other bump:2.35232 Ang C(33) at 17.578 74.983 38.475 in (null):I-9999 (4) and CD2(56) at 17.0563 75.3369 40.7413 in (null):F-9999 (8) other bump:2.60874 Ang CG1(29) at 20.585 74.2162 38.7771 in (null):I-9999 (4) and CD1(55) at 19.4195 75.0277 40.9654 in (null):F-9999 (8) other bump:2.51677 Ang O(32) at 17.467 74.357 39.526 in (null):I-9999 (4) and CD1(55) at 19.4195 75.0277 40.9654 in (null):F-9999 (8) other bump:1.89042 Ang O(32) at 17.467 74.357 39.526 in (null):I-9999 (4) and CG(54) at 18.1263 74.627 41.277 in (null):F-9999 (8) other bump:2.87728 Ang C(33) at 17.578 74.983 38.475 in (null):I-9999 (4) and CG(54) at 18.1263 74.627 41.277 in (null):F-9999 (8) other bump:2.03449 Ang O(8) at 17.108 79.345 36.418 in (null):L-9999 (1) and CD1(39) at 16.5418 80.3003 38.1227 in (null):I-9999 (5) Number of specific fragments= 1 total=2795 # 2bnh.338.338 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 338 :LDLIIAGFH 2bnh 338 :LLELQLSSN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2796 # 1h6lA.338.338 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 338 :LDLIIAGFH 1h6lA 367 :QVNKQVDPR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.25394 Ang CE1(57) at 24.3694 -4.45467 10.9101 in (null):F-9999 (8) and NE2(69) at 26.4185 -4.80227 10.038 in (null):H-9999 (9) neighbor-bump: 2.42964 Ang CZ(59) at 25.1686 -3.99411 11.9584 in (null):F-9999 (8) and NE2(69) at 26.4185 -4.80227 10.038 in (null):H-9999 (9) neighbor-bump: 2.66244 Ang CE1(57) at 24.3694 -4.45467 10.9101 in (null):F-9999 (8) and CE1(68) at 25.9339 -5.10632 8.85681 in (null):H-9999 (9) neighbor-bump: 2.71988 Ang CZ(59) at 25.1686 -3.99411 11.9584 in (null):F-9999 (8) and CD2(66) at 26.5631 -5.9775 10.7258 in (null):H-9999 (9) Number of specific fragments= 1 total=2797 # 1cvmA.338.338 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 338 :LDLIIAGFH 1cvmA 367 :QVNKQVDPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2798 # 2pooA.338.338 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 338 :LDLIIAGFH 2pooA 367 :QVNKQVDPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2799 # 1qrrA.338.339 read from T0147_twice.t2k.frag # found chain 1qrrA in template set T0147_twice 338 :LDLIIAGFH 1qrrA 340 :TKLMELGLE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09349 Ang CE2(58) at 55.053 90.1027 17.5601 in (null):F-9999 (8) and CA(73) at 52.811 92.181 17.087 in (null):G-9999 (10) other bump:2.61375 Ang O(49) at 50.02 85.094 16.362 in (null):G-9999 (7) and CE1(68) at 47.5581 85.9412 16.1314 in (null):H-9999 (9) Number of specific fragments= 1 total=2800 # 1fi4A.339.341 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 339 :DLIIAGFHE 1fi4A 322 :FIYKLFGSV Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32755 Ang N(26) at 16.859 76.067 38.213 in (null):I-9999 (4) and CZ(51) at 18.5712 76.8203 39.598 in (null):F-9999 (7) other bump:2.93125 Ang CG1(29) at 16.7257 78.966 38.8351 in (null):I-9999 (4) and CZ(51) at 18.5712 76.8203 39.598 in (null):F-9999 (7) other bump:2.7258 Ang CA(27) at 15.891 76.574 39.167 in (null):I-9999 (4) and CZ(51) at 18.5712 76.8203 39.598 in (null):F-9999 (7) other bump:3.17784 Ang CA(19) at 18.559 74.533 37.392 in (null):I-9999 (3) and CZ(51) at 18.5712 76.8203 39.598 in (null):F-9999 (7) other bump:2.93143 Ang CB(20) at 19.9588 75.0898 37.6815 in (null):I-9999 (3) and CZ(51) at 18.5712 76.8203 39.598 in (null):F-9999 (7) other bump:2.37138 Ang C(25) at 17.578 74.983 38.475 in (null):I-9999 (3) and CZ(51) at 18.5712 76.8203 39.598 in (null):F-9999 (7) other bump:2.08373 Ang CG2(22) at 19.9506 76.5805 38.0548 in (null):I-9999 (3) and CZ(51) at 18.5712 76.8203 39.598 in (null):F-9999 (7) other bump:1.77744 Ang N(26) at 16.859 76.067 38.213 in (null):I-9999 (4) and CE2(50) at 17.2748 76.4347 39.9016 in (null):F-9999 (7) other bump:2.78104 Ang C(33) at 14.706 75.619 39.216 in (null):I-9999 (4) and CE2(50) at 17.2748 76.4347 39.9016 in (null):F-9999 (7) other bump:2.69083 Ang CB(28) at 15.4982 78.0374 38.6706 in (null):I-9999 (4) and CE2(50) at 17.2748 76.4347 39.9016 in (null):F-9999 (7) other bump:2.80122 Ang CG1(29) at 16.7257 78.966 38.8351 in (null):I-9999 (4) and CE2(50) at 17.2748 76.4347 39.9016 in (null):F-9999 (7) other bump:1.57289 Ang CA(27) at 15.891 76.574 39.167 in (null):I-9999 (4) and CE2(50) at 17.2748 76.4347 39.9016 in (null):F-9999 (7) other bump:2.05773 Ang C(25) at 17.578 74.983 38.475 in (null):I-9999 (3) and CE2(50) at 17.2748 76.4347 39.9016 in (null):F-9999 (7) other bump:2.12005 Ang O(24) at 17.467 74.357 39.526 in (null):I-9999 (3) and CE2(50) at 17.2748 76.4347 39.9016 in (null):F-9999 (7) other bump:2.67468 Ang CB(20) at 19.9588 75.0898 37.6815 in (null):I-9999 (3) and CE1(49) at 19.6461 76.12 40.13 in (null):F-9999 (7) other bump:2.51721 Ang CG1(21) at 20.585 74.2162 38.7771 in (null):I-9999 (3) and CE1(49) at 19.6461 76.12 40.13 in (null):F-9999 (7) other bump:2.88248 Ang C(25) at 17.578 74.983 38.475 in (null):I-9999 (3) and CE1(49) at 19.6461 76.12 40.13 in (null):F-9999 (7) other bump:2.14735 Ang CG2(22) at 19.9506 76.5805 38.0548 in (null):I-9999 (3) and CE1(49) at 19.6461 76.12 40.13 in (null):F-9999 (7) other bump:2.63896 Ang N(26) at 16.859 76.067 38.213 in (null):I-9999 (4) and CD2(48) at 17.0563 75.3369 40.7413 in (null):F-9999 (7) other bump:2.81603 Ang C(33) at 14.706 75.619 39.216 in (null):I-9999 (4) and CD2(48) at 17.0563 75.3369 40.7413 in (null):F-9999 (7) other bump:2.3166 Ang CA(27) at 15.891 76.574 39.167 in (null):I-9999 (4) and CD2(48) at 17.0563 75.3369 40.7413 in (null):F-9999 (7) other bump:2.35232 Ang C(25) at 17.578 74.983 38.475 in (null):I-9999 (3) and CD2(48) at 17.0563 75.3369 40.7413 in (null):F-9999 (7) other bump:1.61426 Ang O(24) at 17.467 74.357 39.526 in (null):I-9999 (3) and CD2(48) at 17.0563 75.3369 40.7413 in (null):F-9999 (7) other bump:2.60874 Ang CG1(21) at 20.585 74.2162 38.7771 in (null):I-9999 (3) and CD1(47) at 19.4195 75.0277 40.9654 in (null):F-9999 (7) other bump:2.51677 Ang O(24) at 17.467 74.357 39.526 in (null):I-9999 (3) and CD1(47) at 19.4195 75.0277 40.9654 in (null):F-9999 (7) other bump:2.87728 Ang C(25) at 17.578 74.983 38.475 in (null):I-9999 (3) and CG(46) at 18.1263 74.627 41.277 in (null):F-9999 (7) other bump:1.89042 Ang O(24) at 17.467 74.357 39.526 in (null):I-9999 (3) and CG(46) at 18.1263 74.627 41.277 in (null):F-9999 (7) other bump:2.03449 Ang O(0) at 17.108 79.345 36.418 in (null):G-9999 (0) and CD1(31) at 16.5418 80.3003 38.1227 in (null):I-9999 (4) Number of specific fragments= 1 total=2801 # 2bnh.339.339 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 339 :DLIIAGFHE 2bnh 339 :LELQLSSNK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2802 # 1h6lA.339.339 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 339 :DLIIAGFHE 1h6lA 368 :VNKQVDPRK Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.077 Ang CD1(47) at 23.2459 -5.25516 11.1956 in (null):F-9999 (7) and NE2(61) at 26.2926 -4.85944 11.3649 in (null):H-9999 (8) neighbor-bump: 2.01732 Ang CE1(49) at 24.3694 -4.45467 10.9101 in (null):F-9999 (7) and NE2(61) at 26.2926 -4.85944 11.3649 in (null):H-9999 (8) neighbor-bump: 1.53766 Ang CZ(51) at 25.1686 -3.99411 11.9584 in (null):F-9999 (7) and NE2(61) at 26.2926 -4.85944 11.3649 in (null):H-9999 (8) neighbor-bump: 2.46512 Ang CE2(50) at 24.8441 -4.32926 13.2878 in (null):F-9999 (7) and NE2(61) at 26.2926 -4.85944 11.3649 in (null):H-9999 (8) neighbor-bump: 2.98431 Ang CD1(47) at 23.2459 -5.25516 11.1956 in (null):F-9999 (7) and CE1(60) at 25.985 -4.85468 10.0808 in (null):H-9999 (8) neighbor-bump: 1.85962 Ang CE1(49) at 24.3694 -4.45467 10.9101 in (null):F-9999 (7) and CE1(60) at 25.985 -4.85468 10.0808 in (null):H-9999 (8) neighbor-bump: 2.22094 Ang CZ(51) at 25.1686 -3.99411 11.9584 in (null):F-9999 (7) and CE1(60) at 25.985 -4.85468 10.0808 in (null):H-9999 (8) neighbor-bump: 3.22249 Ang CD1(47) at 23.2459 -5.25516 11.1956 in (null):F-9999 (7) and ND1(59) at 25.9467 -6.10606 9.65743 in (null):H-9999 (8) neighbor-bump: 2.60468 Ang CE1(49) at 24.3694 -4.45467 10.9101 in (null):F-9999 (7) and ND1(59) at 25.9467 -6.10606 9.65743 in (null):H-9999 (8) neighbor-bump: 3.21872 Ang CZ(51) at 25.1686 -3.99411 11.9584 in (null):F-9999 (7) and ND1(59) at 25.9467 -6.10606 9.65743 in (null):H-9999 (8) neighbor-bump: 2.52473 Ang CZ(51) at 25.1686 -3.99411 11.9584 in (null):F-9999 (7) and CD2(58) at 26.4573 -6.15793 11.781 in (null):H-9999 (8) Number of specific fragments= 1 total=2803 # 1cvmA.339.339 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 339 :DLIIAGFHE 1cvmA 368 :VNKQVDPRK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2804 # 2pooA.339.339 read from T0147_twice.t2k.frag # found chain 2pooA in template set T0147_twice 339 :DLIIAGFHE 2pooA 368 :VNKQVDPRK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2805 # 1qrrA.339.340 read from T0147_twice.t2k.frag # found chain 1qrrA in template set T0147_twice 339 :DLIIAGFHE 1qrrA 341 :KLMELGLEP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89308 Ang CE2(50) at 55.053 90.1027 17.5601 in (null):F-9999 (7) and CD(68) at 56.1511 91.3186 15.1756 in (null):E-9999 (9) other bump:2.41332 Ang CD2(48) at 54.687 88.8993 16.9665 in (null):F-9999 (7) and CG(67) at 55.0022 91.1489 16.1516 in (null):E-9999 (9) other bump:1.75524 Ang CE2(50) at 55.053 90.1027 17.5601 in (null):F-9999 (7) and CG(67) at 55.0022 91.1489 16.1516 in (null):E-9999 (9) other bump:2.80167 Ang CE2(50) at 55.053 90.1027 17.5601 in (null):F-9999 (7) and CB(66) at 54.1008 92.3721 16.2212 in (null):E-9999 (9) other bump:3.09349 Ang CE2(50) at 55.053 90.1027 17.5601 in (null):F-9999 (7) and CA(65) at 52.811 92.181 17.087 in (null):E-9999 (9) Number of specific fragments= 1 total=2806 # 1fi4A.340.342 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 340 :LIIAGFHEP 1fi4A 323 :IYKLFGSVP Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7258 Ang CA(19) at 15.891 76.574 39.167 in (null):I-9999 (3) and CZ(43) at 18.5712 76.8203 39.598 in (null):F-9999 (6) other bump:3.17784 Ang CA(11) at 18.559 74.533 37.392 in (null):I-9999 (2) and CZ(43) at 18.5712 76.8203 39.598 in (null):F-9999 (6) other bump:2.97634 Ang CB(12) at 19.9745 75.2586 37.4884 in (null):I-9999 (2) and CZ(43) at 18.5712 76.8203 39.598 in (null):F-9999 (6) other bump:2.37138 Ang C(17) at 17.578 74.983 38.475 in (null):I-9999 (2) and CZ(43) at 18.5712 76.8203 39.598 in (null):F-9999 (6) other bump:2.32755 Ang N(18) at 16.859 76.067 38.213 in (null):I-9999 (3) and CZ(43) at 18.5712 76.8203 39.598 in (null):F-9999 (6) other bump:2.93126 Ang CG1(21) at 16.7257 78.966 38.8351 in (null):I-9999 (3) and CZ(43) at 18.5712 76.8203 39.598 in (null):F-9999 (6) other bump:2.41744 Ang CG2(14) at 20.431 75.4334 38.9187 in (null):I-9999 (2) and CZ(43) at 18.5712 76.8203 39.598 in (null):F-9999 (6) other bump:2.78104 Ang C(25) at 14.706 75.619 39.216 in (null):I-9999 (3) and CE2(42) at 17.2748 76.4347 39.9016 in (null):F-9999 (6) other bump:2.69084 Ang CB(20) at 15.4982 78.0374 38.6706 in (null):I-9999 (3) and CE2(42) at 17.2748 76.4347 39.9016 in (null):F-9999 (6) other bump:1.57289 Ang CA(19) at 15.891 76.574 39.167 in (null):I-9999 (3) and CE2(42) at 17.2748 76.4347 39.9016 in (null):F-9999 (6) other bump:2.05773 Ang C(17) at 17.578 74.983 38.475 in (null):I-9999 (2) and CE2(42) at 17.2748 76.4347 39.9016 in (null):F-9999 (6) other bump:2.12005 Ang O(16) at 17.467 74.357 39.526 in (null):I-9999 (2) and CE2(42) at 17.2748 76.4347 39.9016 in (null):F-9999 (6) other bump:1.77744 Ang N(18) at 16.859 76.067 38.213 in (null):I-9999 (3) and CE2(42) at 17.2748 76.4347 39.9016 in (null):F-9999 (6) other bump:2.80123 Ang CG1(21) at 16.7257 78.966 38.8351 in (null):I-9999 (3) and CE2(42) at 17.2748 76.4347 39.9016 in (null):F-9999 (6) other bump:2.79777 Ang CB(12) at 19.9745 75.2586 37.4884 in (null):I-9999 (2) and CE1(41) at 19.6461 76.12 40.13 in (null):F-9999 (6) other bump:2.88248 Ang C(17) at 17.578 74.983 38.475 in (null):I-9999 (2) and CE1(41) at 19.6461 76.12 40.13 in (null):F-9999 (6) other bump:1.59835 Ang CG2(14) at 20.431 75.4334 38.9187 in (null):I-9999 (2) and CE1(41) at 19.6461 76.12 40.13 in (null):F-9999 (6) other bump:2.81603 Ang C(25) at 14.706 75.619 39.216 in (null):I-9999 (3) and CD2(40) at 17.0563 75.3369 40.7413 in (null):F-9999 (6) other bump:2.3166 Ang CA(19) at 15.891 76.574 39.167 in (null):I-9999 (3) and CD2(40) at 17.0563 75.3369 40.7413 in (null):F-9999 (6) other bump:2.35232 Ang C(17) at 17.578 74.983 38.475 in (null):I-9999 (2) and CD2(40) at 17.0563 75.3369 40.7413 in (null):F-9999 (6) other bump:1.61426 Ang O(16) at 17.467 74.357 39.526 in (null):I-9999 (2) and CD2(40) at 17.0563 75.3369 40.7413 in (null):F-9999 (6) other bump:2.63896 Ang N(18) at 16.859 76.067 38.213 in (null):I-9999 (3) and CD2(40) at 17.0563 75.3369 40.7413 in (null):F-9999 (6) other bump:2.51677 Ang O(16) at 17.467 74.357 39.526 in (null):I-9999 (2) and CD1(39) at 19.4195 75.0277 40.9654 in (null):F-9999 (6) other bump:2.31878 Ang CG2(14) at 20.431 75.4334 38.9187 in (null):I-9999 (2) and CD1(39) at 19.4195 75.0277 40.9654 in (null):F-9999 (6) other bump:2.87728 Ang C(17) at 17.578 74.983 38.475 in (null):I-9999 (2) and CG(38) at 18.1263 74.627 41.277 in (null):F-9999 (6) other bump:1.89042 Ang O(16) at 17.467 74.357 39.526 in (null):I-9999 (2) and CG(38) at 18.1263 74.627 41.277 in (null):F-9999 (6) Number of specific fragments= 1 total=2807 # 2bnh.340.340 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 340 :LIIAGFHEP 2bnh 340 :ELQLSSNKL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.08645 Ang O(54) at -7.464 45.309 16.657 in (null):H-9999 (7) and CD(69) at -7.80793 47.2788 16.0613 in (null):P-9999 (9) other bump:2.4373 Ang C(55) at -7.354 45.67 17.835 in (null):H-9999 (7) and CD(69) at -7.80793 47.2788 16.0613 in (null):P-9999 (9) Number of specific fragments= 1 total=2808 # 1gumA.340.136 read from T0147_twice.t2k.frag # adding 1gumA to template set 1gumA:# found chain 1gumA in template set T0147_twice 340 :LIIAGFHEP 1gumA 137 :EKILRGHGQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52931 Ang ND1(51) at 17.193 -37.658 -21.71 in (null):H-9999 (7) and N(65) at 16.3 -40.015 -21.921 in (null):P-9999 (9) Number of specific fragments= 1 total=2809 # 1huvA.340.271 read from T0147_twice.t2k.frag # adding 1huvA to template set 1huvA:# found chain 1huvA in template set T0147_twice 340 :LIIAGFHEP 1huvA 272 :QSVAKTGKP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.56864 Ang O(44) at 78.089 79.34 48.857 in (null):F-9999 (6) and CE1(52) at 77.2175 79.5285 51.2659 in (null):H-9999 (7) neighbor-bump: 2.30618 Ang O(44) at 78.089 79.34 48.857 in (null):F-9999 (6) and ND1(51) at 78.5251 79.416 51.1203 in (null):H-9999 (7) neighbor-bump: 2.2549 Ang O(44) at 78.089 79.34 48.857 in (null):F-9999 (6) and CD2(50) at 77.6244 77.6249 50.2452 in (null):H-9999 (7) neighbor-bump: 2.08585 Ang O(44) at 78.089 79.34 48.857 in (null):F-9999 (6) and CG(49) at 78.8156 78.2322 50.4681 in (null):H-9999 (7) neighbor-bump: 2.75947 Ang C(45) at 79.011 79.928 48.3 in (null):F-9999 (6) and CG(49) at 78.8156 78.2322 50.4681 in (null):H-9999 (7) Number of specific fragments= 1 total=2810 # 1h6lA.340.340 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 340 :LIIAGFHEP 1h6lA 369 :NKQVDPRKM Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89558 Ang C(55) at 24.786 -10.55 10.007 in (null):H-9999 (7) and CD(69) at 22.1327 -11.7033 10.1258 in (null):P-9999 (9) neighbor-bump: 2.45941 Ang N(56) at 24.372 -11.277 11.049 in (null):E-9999 (8) and CD(69) at 22.1327 -11.7033 10.1258 in (null):P-9999 (9) neighbor-bump: 3.077 Ang CD1(39) at 23.2459 -5.25516 11.1956 in (null):F-9999 (6) and NE2(53) at 26.2926 -4.85944 11.3649 in (null):H-9999 (7) neighbor-bump: 2.01732 Ang CE1(41) at 24.3694 -4.45467 10.9101 in (null):F-9999 (6) and NE2(53) at 26.2926 -4.85944 11.3649 in (null):H-9999 (7) neighbor-bump: 2.46512 Ang CE2(42) at 24.8441 -4.32926 13.2878 in (null):F-9999 (6) and NE2(53) at 26.2926 -4.85944 11.3649 in (null):H-9999 (7) neighbor-bump: 1.53766 Ang CZ(43) at 25.1686 -3.99411 11.9584 in (null):F-9999 (6) and NE2(53) at 26.2926 -4.85944 11.3649 in (null):H-9999 (7) neighbor-bump: 2.98431 Ang CD1(39) at 23.2459 -5.25516 11.1956 in (null):F-9999 (6) and CE1(52) at 25.985 -4.85468 10.0808 in (null):H-9999 (7) neighbor-bump: 1.85962 Ang CE1(41) at 24.3694 -4.45467 10.9101 in (null):F-9999 (6) and CE1(52) at 25.985 -4.85468 10.0808 in (null):H-9999 (7) neighbor-bump: 2.22094 Ang CZ(43) at 25.1686 -3.99411 11.9584 in (null):F-9999 (6) and CE1(52) at 25.985 -4.85468 10.0808 in (null):H-9999 (7) neighbor-bump: 3.22249 Ang CD1(39) at 23.2459 -5.25516 11.1956 in (null):F-9999 (6) and ND1(51) at 25.9467 -6.10606 9.65743 in (null):H-9999 (7) neighbor-bump: 2.60468 Ang CE1(41) at 24.3694 -4.45467 10.9101 in (null):F-9999 (6) and ND1(51) at 25.9467 -6.10606 9.65743 in (null):H-9999 (7) neighbor-bump: 3.21872 Ang CZ(43) at 25.1686 -3.99411 11.9584 in (null):F-9999 (6) and ND1(51) at 25.9467 -6.10606 9.65743 in (null):H-9999 (7) neighbor-bump: 2.52473 Ang CZ(43) at 25.1686 -3.99411 11.9584 in (null):F-9999 (6) and CD2(50) at 26.4573 -6.15793 11.781 in (null):H-9999 (7) Number of specific fragments= 1 total=2811 # 1cvmA.340.340 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 340 :LIIAGFHEP 1cvmA 369 :NKQVDPRKM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88923 Ang C(55) at 24.966 -10.331 10.19 in (null):H-9999 (7) and CD(69) at 22.321 -11.3974 10.6533 in (null):P-9999 (9) neighbor-bump: 2.27287 Ang N(56) at 24.477 -10.985 11.243 in (null):E-9999 (8) and CD(69) at 22.321 -11.3974 10.6533 in (null):P-9999 (9) Number of specific fragments= 1 total=2812 # 1fi4A.341.343 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 341 :IIAGFHEPV 1fi4A 324 :YKLFGSVPG Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.95174 Ang O(62) at 20.905 64.66 38.552 in (null):P-9999 (8) and CG2(68) at 21.7076 63.4615 37.2372 in (null):V-9999 (9) neighbor-bump: 2.62998 Ang C(63) at 21.673 64.767 39.52 in (null):P-9999 (8) and CG2(68) at 21.7076 63.4615 37.2372 in (null):V-9999 (9) neighbor-bump: 1.98663 Ang O(62) at 20.905 64.66 38.552 in (null):P-9999 (8) and CB(66) at 22.253 64.8918 37.1112 in (null):V-9999 (9) neighbor-bump: 2.4808 Ang C(63) at 21.673 64.767 39.52 in (null):P-9999 (8) and CB(66) at 22.253 64.8918 37.1112 in (null):V-9999 (9) other bump:2.32755 Ang N(10) at 16.859 76.067 38.213 in (null):I-9999 (2) and CZ(35) at 18.5712 76.8203 39.598 in (null):F-9999 (5) other bump:2.7258 Ang CA(11) at 15.891 76.574 39.167 in (null):I-9999 (2) and CZ(35) at 18.5712 76.8203 39.598 in (null):F-9999 (5) other bump:2.93126 Ang CG1(13) at 16.7256 78.966 38.8351 in (null):I-9999 (2) and CZ(35) at 18.5712 76.8203 39.598 in (null):F-9999 (5) other bump:3.17784 Ang CA(3) at 18.559 74.533 37.392 in (null):I-9999 (1) and CZ(35) at 18.5712 76.8203 39.598 in (null):F-9999 (5) other bump:3.16564 Ang CG1(5) at 20.5844 74.4808 38.8946 in (null):I-9999 (1) and CZ(35) at 18.5712 76.8203 39.598 in (null):F-9999 (5) other bump:2.37138 Ang C(9) at 17.578 74.983 38.475 in (null):I-9999 (1) and CZ(35) at 18.5712 76.8203 39.598 in (null):F-9999 (5) other bump:2.45999 Ang CG2(6) at 20.0627 76.5856 37.6559 in (null):I-9999 (1) and CZ(35) at 18.5712 76.8203 39.598 in (null):F-9999 (5) other bump:2.78104 Ang C(17) at 14.706 75.619 39.216 in (null):I-9999 (2) and CE2(34) at 17.2748 76.4347 39.9016 in (null):F-9999 (5) other bump:1.77744 Ang N(10) at 16.859 76.067 38.213 in (null):I-9999 (2) and CE2(34) at 17.2748 76.4347 39.9016 in (null):F-9999 (5) other bump:1.57289 Ang CA(11) at 15.891 76.574 39.167 in (null):I-9999 (2) and CE2(34) at 17.2748 76.4347 39.9016 in (null):F-9999 (5) other bump:2.69084 Ang CB(12) at 15.4982 78.0374 38.6706 in (null):I-9999 (2) and CE2(34) at 17.2748 76.4347 39.9016 in (null):F-9999 (5) other bump:2.80123 Ang CG1(13) at 16.7256 78.966 38.8351 in (null):I-9999 (2) and CE2(34) at 17.2748 76.4347 39.9016 in (null):F-9999 (5) other bump:2.12005 Ang O(8) at 17.467 74.357 39.526 in (null):I-9999 (1) and CE2(34) at 17.2748 76.4347 39.9016 in (null):F-9999 (5) other bump:2.05773 Ang C(9) at 17.578 74.983 38.475 in (null):I-9999 (1) and CE2(34) at 17.2748 76.4347 39.9016 in (null):F-9999 (5) other bump:2.77054 Ang CB(4) at 19.9713 75.0423 37.5984 in (null):I-9999 (1) and CE1(33) at 19.6461 76.12 40.13 in (null):F-9999 (5) other bump:2.25688 Ang CG1(5) at 20.5844 74.4808 38.8946 in (null):I-9999 (1) and CE1(33) at 19.6461 76.12 40.13 in (null):F-9999 (5) other bump:2.88248 Ang C(9) at 17.578 74.983 38.475 in (null):I-9999 (1) and CE1(33) at 19.6461 76.12 40.13 in (null):F-9999 (5) other bump:2.55171 Ang CG2(6) at 20.0627 76.5856 37.6559 in (null):I-9999 (1) and CE1(33) at 19.6461 76.12 40.13 in (null):F-9999 (5) other bump:2.81603 Ang C(17) at 14.706 75.619 39.216 in (null):I-9999 (2) and CD2(32) at 17.0563 75.3369 40.7413 in (null):F-9999 (5) other bump:2.63896 Ang N(10) at 16.859 76.067 38.213 in (null):I-9999 (2) and CD2(32) at 17.0563 75.3369 40.7413 in (null):F-9999 (5) other bump:2.3166 Ang CA(11) at 15.891 76.574 39.167 in (null):I-9999 (2) and CD2(32) at 17.0563 75.3369 40.7413 in (null):F-9999 (5) other bump:1.61426 Ang O(8) at 17.467 74.357 39.526 in (null):I-9999 (1) and CD2(32) at 17.0563 75.3369 40.7413 in (null):F-9999 (5) other bump:2.35232 Ang C(9) at 17.578 74.983 38.475 in (null):I-9999 (1) and CD2(32) at 17.0563 75.3369 40.7413 in (null):F-9999 (5) other bump:2.43806 Ang CG1(5) at 20.5844 74.4808 38.8946 in (null):I-9999 (1) and CD1(31) at 19.4195 75.0277 40.9654 in (null):F-9999 (5) other bump:2.51677 Ang O(8) at 17.467 74.357 39.526 in (null):I-9999 (1) and CD1(31) at 19.4195 75.0277 40.9654 in (null):F-9999 (5) other bump:1.89042 Ang O(8) at 17.467 74.357 39.526 in (null):I-9999 (1) and CG(30) at 18.1263 74.627 41.277 in (null):F-9999 (5) other bump:2.87728 Ang C(9) at 17.578 74.983 38.475 in (null):I-9999 (1) and CG(30) at 18.1263 74.627 41.277 in (null):F-9999 (5) Number of specific fragments= 1 total=2813 # 1huvA.341.272 read from T0147_twice.t2k.frag # found chain 1huvA in template set T0147_twice 341 :IIAGFHEPV 1huvA 273 :SVAKTGKPV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.56864 Ang O(36) at 78.089 79.34 48.857 in (null):F-9999 (5) and CE1(44) at 77.2175 79.5285 51.2659 in (null):H-9999 (6) neighbor-bump: 2.30618 Ang O(36) at 78.089 79.34 48.857 in (null):F-9999 (5) and ND1(43) at 78.5251 79.416 51.1203 in (null):H-9999 (6) neighbor-bump: 2.2549 Ang O(36) at 78.089 79.34 48.857 in (null):F-9999 (5) and CD2(42) at 77.6244 77.6249 50.2452 in (null):H-9999 (6) neighbor-bump: 2.08585 Ang O(36) at 78.089 79.34 48.857 in (null):F-9999 (5) and CG(41) at 78.8156 78.2322 50.4681 in (null):H-9999 (6) neighbor-bump: 2.75947 Ang C(37) at 79.011 79.928 48.3 in (null):F-9999 (5) and CG(41) at 78.8156 78.2322 50.4681 in (null):H-9999 (6) Number of specific fragments= 1 total=2814 # 1gumA.341.137 read from T0147_twice.t2k.frag # found chain 1gumA in template set T0147_twice 341 :IIAGFHEPV 1gumA 138 :KILRGHGQS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52931 Ang ND1(43) at 17.193 -37.658 -21.71 in (null):H-9999 (6) and N(57) at 16.3 -40.015 -21.921 in (null):P-9999 (8) Number of specific fragments= 1 total=2815 # 1a99A.341.204 read from T0147_twice.t2k.frag # adding 1a99A to template set 1a99A:# found chain 1a99A in template set T0147_twice 341 :IIAGFHEPV 1a99A 231 :NDLANGDIC Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.53682 Ang O(16) at 182.72 -6.624 53.183 in (null):I-9999 (2) and CD(61) at 185.191 -7.19215 53.2765 in (null):P-9999 (8) other bump:3.23263 Ang CA(11) at 183.57 -4.465 52.655 in (null):I-9999 (2) and CD(61) at 185.191 -7.19215 53.2765 in (null):P-9999 (8) other bump:2.8513 Ang C(17) at 182.932 -5.478 53.577 in (null):I-9999 (2) and CD(61) at 185.191 -7.19215 53.2765 in (null):P-9999 (8) neighbor-bump: 2.78604 Ang CB(50) at 184.861 -7.3639 50.5154 in (null):E-9999 (7) and CD(61) at 185.191 -7.19215 53.2765 in (null):P-9999 (8) other bump:2.8188 Ang CB(12) at 185.087 -4.4172 52.7921 in (null):I-9999 (2) and CD(61) at 185.191 -7.19215 53.2765 in (null):P-9999 (8) other bump:1.5396 Ang CG2(14) at 185.699 -5.84023 52.7437 in (null):I-9999 (2) and CD(61) at 185.191 -7.19215 53.2765 in (null):P-9999 (8) other bump:3.28943 Ang C(17) at 182.932 -5.478 53.577 in (null):I-9999 (2) and CG(60) at 185.77 -6.77087 54.6229 in (null):P-9999 (8) other bump:3.05911 Ang CB(12) at 185.087 -4.4172 52.7921 in (null):I-9999 (2) and CG(60) at 185.77 -6.77087 54.6229 in (null):P-9999 (8) other bump:2.0982 Ang CG2(14) at 185.699 -5.84023 52.7437 in (null):I-9999 (2) and CG(60) at 185.77 -6.77087 54.6229 in (null):P-9999 (8) other bump:2.04522 Ang CG1(13) at 185.6 -3.63452 51.5925 in (null):I-9999 (2) and OE1(53) at 184.703 -4.58579 50.0198 in (null):E-9999 (7) other bump:3.2888 Ang CG1(13) at 185.6 -3.63452 51.5925 in (null):I-9999 (2) and CD(52) at 184.352 -5.37941 49.0996 in (null):E-9999 (7) other bump:2.82676 Ang CG2(14) at 185.699 -5.84023 52.7437 in (null):I-9999 (2) and CB(50) at 184.861 -7.3639 50.5154 in (null):E-9999 (7) other bump:2.81205 Ang CG2(6) at 181.35 -1.09075 50.0819 in (null):I-9999 (1) and CE1(33) at 178.785 -2.24287 50.1052 in (null):F-9999 (5) other bump:2.2858 Ang O(8) at 181.043 -3.7 51.928 in (null):I-9999 (1) and CD1(31) at 179.571 -3.39953 50.2056 in (null):F-9999 (5) Number of specific fragments= 1 total=2816 # 2bnh.341.341 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 341 :IIAGFHEPV 2bnh 341 :LQLSSNKLG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.8103 Ang CG1(67) at -13.5613 47.7533 11.3676 in (null):V-9999 (9) and CA(72) at -12.65 49.856 9.741 in (null):G-9999 (10) neighbor-bump: 2.37928 Ang CB(66) at -13.0175 47.5371 12.768 in (null):V-9999 (9) and N(71) at -12.733 49.068 10.969 in (null):G-9999 (10) neighbor-bump: 1.60421 Ang CG1(67) at -13.5613 47.7533 11.3676 in (null):V-9999 (9) and N(71) at -12.733 49.068 10.969 in (null):G-9999 (10) self-bump: 2.18331 Ang CB(66) at -13.0175 47.5371 12.768 in (null):V-9999 (9) and C(70) at -11.749 49.064 11.859 in (null):V-9999 (9) self-bump: 2.28994 Ang CG1(67) at -13.5613 47.7533 11.3676 in (null):V-9999 (9) and C(70) at -11.749 49.064 11.859 in (null):V-9999 (9) self-bump: 1.29857 Ang CA(65) at -11.939 48.191 13.077 in (null):V-9999 (9) and CB(66) at -13.0175 47.5371 12.768 in (null):V-9999 (9) other bump:2.08645 Ang O(46) at -7.464 45.309 16.657 in (null):H-9999 (6) and CD(61) at -7.80793 47.2788 16.0613 in (null):P-9999 (8) other bump:2.43729 Ang C(47) at -7.354 45.67 17.835 in (null):H-9999 (6) and CD(61) at -7.80793 47.2788 16.0613 in (null):P-9999 (8) Number of specific fragments= 1 total=2817 # 1qrrA.341.244 read from T0147_twice.t2k.frag # found chain 1qrrA in template set T0147_twice 341 :IIAGFHEPV 1qrrA 245 :VQAAVGHPL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.95483 Ang CG2(14) at 66.2786 112.569 29.0199 in (null):I-9999 (2) and C(56) at 66.962 115.444 29.04 in (null):E-9999 (7) other bump:2.23367 Ang CG2(14) at 66.2786 112.569 29.0199 in (null):I-9999 (2) and O(55) at 66.2 114.715 28.404 in (null):E-9999 (7) other bump:2.5284 Ang O(8) at 61.943 111.548 31.7 in (null):I-9999 (1) and CD1(31) at 61.6371 112.051 34.1589 in (null):F-9999 (5) Number of specific fragments= 1 total=2818 # 1huvA.342.273 read from T0147_twice.t2k.frag # found chain 1huvA in template set T0147_twice 342 :IAGFHEPVF 1huvA 274 :VAKTGKPVL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.56864 Ang O(28) at 78.089 79.34 48.857 in (null):F-9999 (4) and CE1(36) at 77.2175 79.5285 51.2659 in (null):H-9999 (5) neighbor-bump: 2.30618 Ang O(28) at 78.089 79.34 48.857 in (null):F-9999 (4) and ND1(35) at 78.5251 79.416 51.1203 in (null):H-9999 (5) neighbor-bump: 2.2549 Ang O(28) at 78.089 79.34 48.857 in (null):F-9999 (4) and CD2(34) at 77.6244 77.6249 50.2452 in (null):H-9999 (5) neighbor-bump: 2.08585 Ang O(28) at 78.089 79.34 48.857 in (null):F-9999 (4) and CG(33) at 78.8156 78.2322 50.4681 in (null):H-9999 (5) neighbor-bump: 2.75947 Ang C(29) at 79.011 79.928 48.3 in (null):F-9999 (4) and CG(33) at 78.8156 78.2322 50.4681 in (null):H-9999 (5) Number of specific fragments= 1 total=2819 # 1qrrA.342.245 read from T0147_twice.t2k.frag # found chain 1qrrA in template set T0147_twice 342 :IAGFHEPVF 1qrrA 246 :QAAVGHPLT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.95482 Ang CG2(6) at 66.2786 112.569 29.0199 in (null):I-9999 (1) and C(48) at 66.962 115.444 29.04 in (null):E-9999 (6) other bump:2.23366 Ang CG2(6) at 66.2786 112.569 29.0199 in (null):I-9999 (1) and O(47) at 66.2 114.715 28.404 in (null):E-9999 (6) other bump:2.5284 Ang O(0) at 61.943 111.548 31.7 in (null):G-9999 (0) and CD1(23) at 61.6371 112.051 34.1589 in (null):F-9999 (4) Number of specific fragments= 1 total=2820 # 1fi4A.342.344 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 342 :IAGFHEPVF 1fi4A 325 :KLFGSVPGW Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.95175 Ang O(54) at 20.905 64.66 38.552 in (null):P-9999 (7) and CG2(60) at 21.7076 63.4615 37.2372 in (null):V-9999 (8) neighbor-bump: 2.62999 Ang C(55) at 21.673 64.767 39.52 in (null):P-9999 (7) and CG2(60) at 21.7076 63.4615 37.2372 in (null):V-9999 (8) neighbor-bump: 1.98663 Ang O(54) at 20.905 64.66 38.552 in (null):P-9999 (7) and CB(58) at 22.253 64.8918 37.1112 in (null):V-9999 (8) neighbor-bump: 2.4808 Ang C(55) at 21.673 64.767 39.52 in (null):P-9999 (7) and CB(58) at 22.253 64.8918 37.1112 in (null):V-9999 (8) other bump:2.7258 Ang CA(3) at 15.891 76.574 39.167 in (null):I-9999 (1) and CZ(27) at 18.5712 76.8203 39.598 in (null):F-9999 (4) other bump:2.37138 Ang C(1) at 17.578 74.983 38.475 in (null):G-9999 (0) and CZ(27) at 18.5712 76.8203 39.598 in (null):F-9999 (4) other bump:2.32755 Ang N(2) at 16.859 76.067 38.213 in (null):I-9999 (1) and CZ(27) at 18.5712 76.8203 39.598 in (null):F-9999 (4) other bump:2.98626 Ang CG2(6) at 16.5384 78.9848 39.2808 in (null):I-9999 (1) and CZ(27) at 18.5712 76.8203 39.598 in (null):F-9999 (4) other bump:1.57289 Ang CA(3) at 15.891 76.574 39.167 in (null):I-9999 (1) and CE2(26) at 17.2748 76.4347 39.9016 in (null):F-9999 (4) other bump:2.60151 Ang CB(4) at 15.4073 77.9994 38.9896 in (null):I-9999 (1) and CE2(26) at 17.2748 76.4347 39.9016 in (null):F-9999 (4) other bump:2.78104 Ang C(9) at 14.706 75.619 39.216 in (null):I-9999 (1) and CE2(26) at 17.2748 76.4347 39.9016 in (null):F-9999 (4) other bump:2.12005 Ang O(0) at 17.467 74.357 39.526 in (null):G-9999 (0) and CE2(26) at 17.2748 76.4347 39.9016 in (null):F-9999 (4) other bump:2.05773 Ang C(1) at 17.578 74.983 38.475 in (null):G-9999 (0) and CE2(26) at 17.2748 76.4347 39.9016 in (null):F-9999 (4) other bump:1.77744 Ang N(2) at 16.859 76.067 38.213 in (null):I-9999 (1) and CE2(26) at 17.2748 76.4347 39.9016 in (null):F-9999 (4) other bump:2.72597 Ang CG2(6) at 16.5384 78.9848 39.2808 in (null):I-9999 (1) and CE2(26) at 17.2748 76.4347 39.9016 in (null):F-9999 (4) other bump:2.88248 Ang C(1) at 17.578 74.983 38.475 in (null):G-9999 (0) and CE1(25) at 19.6461 76.12 40.13 in (null):F-9999 (4) other bump:2.3166 Ang CA(3) at 15.891 76.574 39.167 in (null):I-9999 (1) and CD2(24) at 17.0563 75.3369 40.7413 in (null):F-9999 (4) other bump:2.81603 Ang C(9) at 14.706 75.619 39.216 in (null):I-9999 (1) and CD2(24) at 17.0563 75.3369 40.7413 in (null):F-9999 (4) other bump:1.61426 Ang O(0) at 17.467 74.357 39.526 in (null):G-9999 (0) and CD2(24) at 17.0563 75.3369 40.7413 in (null):F-9999 (4) other bump:2.35232 Ang C(1) at 17.578 74.983 38.475 in (null):G-9999 (0) and CD2(24) at 17.0563 75.3369 40.7413 in (null):F-9999 (4) other bump:2.63896 Ang N(2) at 16.859 76.067 38.213 in (null):I-9999 (1) and CD2(24) at 17.0563 75.3369 40.7413 in (null):F-9999 (4) other bump:2.51677 Ang O(0) at 17.467 74.357 39.526 in (null):G-9999 (0) and CD1(23) at 19.4195 75.0277 40.9654 in (null):F-9999 (4) other bump:1.89042 Ang O(0) at 17.467 74.357 39.526 in (null):G-9999 (0) and CG(22) at 18.1263 74.627 41.277 in (null):F-9999 (4) other bump:2.87728 Ang C(1) at 17.578 74.983 38.475 in (null):G-9999 (0) and CG(22) at 18.1263 74.627 41.277 in (null):F-9999 (4) Number of specific fragments= 1 total=2821 # 1a99A.342.205 read from T0147_twice.t2k.frag # found chain 1a99A in template set T0147_twice 342 :IAGFHEPVF 1a99A 232 :DLANGDICV Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.78604 Ang CB(42) at 184.861 -7.3639 50.5154 in (null):E-9999 (6) and CD(53) at 185.191 -7.19215 53.2765 in (null):P-9999 (7) other bump:2.53682 Ang O(8) at 182.72 -6.624 53.183 in (null):I-9999 (1) and CD(53) at 185.191 -7.19215 53.2765 in (null):P-9999 (7) other bump:3.23263 Ang CA(3) at 183.57 -4.465 52.655 in (null):I-9999 (1) and CD(53) at 185.191 -7.19215 53.2765 in (null):P-9999 (7) other bump:2.8188 Ang CB(4) at 185.087 -4.41721 52.7921 in (null):I-9999 (1) and CD(53) at 185.191 -7.19215 53.2765 in (null):P-9999 (7) other bump:2.8513 Ang C(9) at 182.932 -5.478 53.577 in (null):I-9999 (1) and CD(53) at 185.191 -7.19215 53.2765 in (null):P-9999 (7) other bump:1.5396 Ang CG2(6) at 185.699 -5.84024 52.7437 in (null):I-9999 (1) and CD(53) at 185.191 -7.19215 53.2765 in (null):P-9999 (7) other bump:3.0591 Ang CB(4) at 185.087 -4.41721 52.7921 in (null):I-9999 (1) and CG(52) at 185.77 -6.77087 54.6229 in (null):P-9999 (7) other bump:3.28943 Ang C(9) at 182.932 -5.478 53.577 in (null):I-9999 (1) and CG(52) at 185.77 -6.77087 54.6229 in (null):P-9999 (7) other bump:2.0982 Ang CG2(6) at 185.699 -5.84024 52.7437 in (null):I-9999 (1) and CG(52) at 185.77 -6.77087 54.6229 in (null):P-9999 (7) other bump:2.04522 Ang CG1(5) at 185.6 -3.63453 51.5925 in (null):I-9999 (1) and OE1(45) at 184.703 -4.58579 50.0198 in (null):E-9999 (6) other bump:3.2888 Ang CG1(5) at 185.6 -3.63453 51.5925 in (null):I-9999 (1) and CD(44) at 184.352 -5.37941 49.0996 in (null):E-9999 (6) other bump:2.82675 Ang CG2(6) at 185.699 -5.84024 52.7437 in (null):I-9999 (1) and CB(42) at 184.861 -7.3639 50.5154 in (null):E-9999 (6) other bump:2.2858 Ang O(0) at 181.043 -3.7 51.928 in (null):G-9999 (0) and CD1(23) at 179.571 -3.39953 50.2056 in (null):F-9999 (4) Number of specific fragments= 1 total=2822 # 2bnh.342.342 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 342 :IAGFHEPVF 2bnh 342 :QLSSNKLGD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.9547 Ang CG1(59) at -13.5613 47.7533 11.3676 in (null):V-9999 (8) and CD2(68) at -14.3962 47.1322 8.60221 in (null):F-9999 (9) neighbor-bump: 2.8103 Ang CG1(59) at -13.5613 47.7533 11.3676 in (null):V-9999 (8) and CA(64) at -12.65 49.856 9.741 in (null):F-9999 (9) neighbor-bump: 2.37928 Ang CB(58) at -13.0175 47.5371 12.768 in (null):V-9999 (8) and N(63) at -12.733 49.068 10.969 in (null):F-9999 (9) neighbor-bump: 1.6042 Ang CG1(59) at -13.5613 47.7533 11.3676 in (null):V-9999 (8) and N(63) at -12.733 49.068 10.969 in (null):F-9999 (9) self-bump: 2.1833 Ang CB(58) at -13.0175 47.5371 12.768 in (null):V-9999 (8) and C(62) at -11.749 49.064 11.859 in (null):V-9999 (8) self-bump: 2.28993 Ang CG1(59) at -13.5613 47.7533 11.3676 in (null):V-9999 (8) and C(62) at -11.749 49.064 11.859 in (null):V-9999 (8) self-bump: 1.29856 Ang CA(57) at -11.939 48.191 13.077 in (null):V-9999 (8) and CB(58) at -13.0175 47.5371 12.768 in (null):V-9999 (8) other bump:2.08645 Ang O(38) at -7.464 45.309 16.657 in (null):H-9999 (5) and CD(53) at -7.80793 47.2788 16.0613 in (null):P-9999 (7) other bump:2.43729 Ang C(39) at -7.354 45.67 17.835 in (null):H-9999 (5) and CD(53) at -7.80793 47.2788 16.0613 in (null):P-9999 (7) Number of specific fragments= 1 total=2823 # 1gumA.342.138 read from T0147_twice.t2k.frag # found chain 1gumA in template set T0147_twice 342 :IAGFHEPVF 1gumA 139 :ILRGHGQSF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52931 Ang ND1(35) at 17.193 -37.658 -21.71 in (null):H-9999 (5) and N(49) at 16.3 -40.015 -21.921 in (null):P-9999 (7) Number of specific fragments= 1 total=2824 # 1huvA.343.274 read from T0147_twice.t2k.frag # found chain 1huvA in template set T0147_twice 343 :AGFHEPVFA 1huvA 275 :AKTGKPVLI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.56864 Ang O(20) at 78.089 79.34 48.857 in (null):F-9999 (3) and CE1(28) at 77.2175 79.5285 51.2659 in (null):H-9999 (4) neighbor-bump: 2.30618 Ang O(20) at 78.089 79.34 48.857 in (null):F-9999 (3) and ND1(27) at 78.5251 79.416 51.1203 in (null):H-9999 (4) neighbor-bump: 2.2549 Ang O(20) at 78.089 79.34 48.857 in (null):F-9999 (3) and CD2(26) at 77.6244 77.6249 50.2452 in (null):H-9999 (4) neighbor-bump: 2.08585 Ang O(20) at 78.089 79.34 48.857 in (null):F-9999 (3) and CG(25) at 78.8156 78.2322 50.4681 in (null):H-9999 (4) neighbor-bump: 2.75947 Ang C(21) at 79.011 79.928 48.3 in (null):F-9999 (3) and CG(25) at 78.8156 78.2322 50.4681 in (null):H-9999 (4) Number of specific fragments= 1 total=2825 # 1qrrA.343.246 read from T0147_twice.t2k.frag # found chain 1qrrA in template set T0147_twice 343 :AGFHEPVFA 1qrrA 247 :AAVGHPLTV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2826 # 1a99A.343.206 read from T0147_twice.t2k.frag # found chain 1a99A in template set T0147_twice 343 :AGFHEPVFA 1a99A 233 :LANGDICVA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.78604 Ang CB(34) at 184.861 -7.3639 50.5154 in (null):E-9999 (5) and CD(45) at 185.191 -7.19215 53.2765 in (null):P-9999 (6) other bump:2.53682 Ang O(0) at 182.72 -6.624 53.183 in (null):G-9999 (0) and CD(45) at 185.191 -7.19215 53.2765 in (null):P-9999 (6) other bump:2.8513 Ang C(1) at 182.932 -5.478 53.577 in (null):G-9999 (0) and CD(45) at 185.191 -7.19215 53.2765 in (null):P-9999 (6) other bump:3.28943 Ang C(1) at 182.932 -5.478 53.577 in (null):G-9999 (0) and CG(44) at 185.77 -6.77087 54.6229 in (null):P-9999 (6) Number of specific fragments= 1 total=2827 # 2bnh.343.343 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 343 :AGFHEPVFA 2bnh 343 :LSSNKLGDS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.9547 Ang CG1(51) at -13.5613 47.7533 11.3676 in (null):V-9999 (7) and CD2(60) at -14.3962 47.1322 8.60221 in (null):F-9999 (8) neighbor-bump: 2.8103 Ang CG1(51) at -13.5613 47.7533 11.3676 in (null):V-9999 (7) and CA(56) at -12.65 49.856 9.741 in (null):F-9999 (8) neighbor-bump: 2.37928 Ang CB(50) at -13.0175 47.5371 12.768 in (null):V-9999 (7) and N(55) at -12.733 49.068 10.969 in (null):F-9999 (8) neighbor-bump: 1.6042 Ang CG1(51) at -13.5613 47.7533 11.3676 in (null):V-9999 (7) and N(55) at -12.733 49.068 10.969 in (null):F-9999 (8) self-bump: 2.1833 Ang CB(50) at -13.0175 47.5371 12.768 in (null):V-9999 (7) and C(54) at -11.749 49.064 11.859 in (null):V-9999 (7) self-bump: 2.28993 Ang CG1(51) at -13.5613 47.7533 11.3676 in (null):V-9999 (7) and C(54) at -11.749 49.064 11.859 in (null):V-9999 (7) self-bump: 1.29856 Ang CA(49) at -11.939 48.191 13.077 in (null):V-9999 (7) and CB(50) at -13.0175 47.5371 12.768 in (null):V-9999 (7) other bump:2.08645 Ang O(30) at -7.464 45.309 16.657 in (null):H-9999 (4) and CD(45) at -7.80793 47.2788 16.0613 in (null):P-9999 (6) other bump:2.43729 Ang C(31) at -7.354 45.67 17.835 in (null):H-9999 (4) and CD(45) at -7.80793 47.2788 16.0613 in (null):P-9999 (6) Number of specific fragments= 1 total=2828 # 1gumA.343.139 read from T0147_twice.t2k.frag # found chain 1gumA in template set T0147_twice 343 :AGFHEPVFA 1gumA 140 :LRGHGQSFL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52931 Ang ND1(27) at 17.193 -37.658 -21.71 in (null):H-9999 (4) and N(41) at 16.3 -40.015 -21.921 in (null):P-9999 (6) Number of specific fragments= 1 total=2829 # 1h6lA.343.343 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 343 :AGFHEPVFA 1h6lA 372 :VDPRKMTDR Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89558 Ang C(31) at 24.786 -10.55 10.007 in (null):H-9999 (4) and CD(45) at 22.1327 -11.7033 10.1258 in (null):P-9999 (6) neighbor-bump: 2.45941 Ang N(32) at 24.372 -11.277 11.049 in (null):E-9999 (5) and CD(45) at 22.1327 -11.7033 10.1258 in (null):P-9999 (6) neighbor-bump: 3.077 Ang CD1(15) at 23.2459 -5.25516 11.1956 in (null):F-9999 (3) and NE2(29) at 26.2926 -4.85944 11.3649 in (null):H-9999 (4) neighbor-bump: 2.01732 Ang CE1(17) at 24.3694 -4.45467 10.9101 in (null):F-9999 (3) and NE2(29) at 26.2926 -4.85944 11.3649 in (null):H-9999 (4) neighbor-bump: 2.46512 Ang CE2(18) at 24.8441 -4.32926 13.2878 in (null):F-9999 (3) and NE2(29) at 26.2926 -4.85944 11.3649 in (null):H-9999 (4) neighbor-bump: 1.53766 Ang CZ(19) at 25.1686 -3.99411 11.9584 in (null):F-9999 (3) and NE2(29) at 26.2926 -4.85944 11.3649 in (null):H-9999 (4) neighbor-bump: 2.98431 Ang CD1(15) at 23.2459 -5.25516 11.1956 in (null):F-9999 (3) and CE1(28) at 25.985 -4.85468 10.0808 in (null):H-9999 (4) neighbor-bump: 1.85962 Ang CE1(17) at 24.3694 -4.45467 10.9101 in (null):F-9999 (3) and CE1(28) at 25.985 -4.85468 10.0808 in (null):H-9999 (4) neighbor-bump: 2.22094 Ang CZ(19) at 25.1686 -3.99411 11.9584 in (null):F-9999 (3) and CE1(28) at 25.985 -4.85468 10.0808 in (null):H-9999 (4) neighbor-bump: 3.22249 Ang CD1(15) at 23.2459 -5.25516 11.1956 in (null):F-9999 (3) and ND1(27) at 25.9467 -6.10606 9.65743 in (null):H-9999 (4) neighbor-bump: 2.60468 Ang CE1(17) at 24.3694 -4.45467 10.9101 in (null):F-9999 (3) and ND1(27) at 25.9467 -6.10606 9.65743 in (null):H-9999 (4) neighbor-bump: 3.21872 Ang CZ(19) at 25.1686 -3.99411 11.9584 in (null):F-9999 (3) and ND1(27) at 25.9467 -6.10606 9.65743 in (null):H-9999 (4) neighbor-bump: 2.52473 Ang CZ(19) at 25.1686 -3.99411 11.9584 in (null):F-9999 (3) and CD2(26) at 26.4573 -6.15793 11.781 in (null):H-9999 (4) Number of specific fragments= 1 total=2830 # 1qrrA.344.247 read from T0147_twice.t2k.frag # found chain 1qrrA in template set T0147_twice 344 :GFHEPVFAP 1qrrA 248 :AVGHPLTVY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2831 # 1huvA.344.275 read from T0147_twice.t2k.frag # found chain 1huvA in template set T0147_twice 344 :GFHEPVFAP 1huvA 276 :KTGKPVLID Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.38185 Ang CA(62) at 81.491 80.538 33.886 in (null):A-9999 (8) and CD(70) at 80.0541 81.271 32.1335 in (null):P-9999 (9) neighbor-bump: 1.8465 Ang C(65) at 81.647 80.368 32.372 in (null):A-9999 (8) and CD(70) at 80.0541 81.271 32.1335 in (null):P-9999 (9) neighbor-bump: 2.56864 Ang O(15) at 78.089 79.34 48.857 in (null):F-9999 (2) and CE1(23) at 77.2175 79.5285 51.2659 in (null):H-9999 (3) neighbor-bump: 2.30618 Ang O(15) at 78.089 79.34 48.857 in (null):F-9999 (2) and ND1(22) at 78.5251 79.416 51.1203 in (null):H-9999 (3) neighbor-bump: 2.2549 Ang O(15) at 78.089 79.34 48.857 in (null):F-9999 (2) and CD2(21) at 77.6244 77.6249 50.2452 in (null):H-9999 (3) neighbor-bump: 2.08585 Ang O(15) at 78.089 79.34 48.857 in (null):F-9999 (2) and CG(20) at 78.8156 78.2322 50.4681 in (null):H-9999 (3) neighbor-bump: 2.75947 Ang C(16) at 79.011 79.928 48.3 in (null):F-9999 (2) and CG(20) at 78.8156 78.2322 50.4681 in (null):H-9999 (3) Number of specific fragments= 1 total=2832 # 1a99A.344.207 read from T0147_twice.t2k.frag # found chain 1a99A in template set T0147_twice 344 :GFHEPVFAP 1a99A 234 :ANGDICVAI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.78604 Ang CB(29) at 184.861 -7.3639 50.5154 in (null):E-9999 (4) and CD(40) at 185.191 -7.19215 53.2765 in (null):P-9999 (5) Number of specific fragments= 1 total=2833 # 1gumA.344.140 read from T0147_twice.t2k.frag # found chain 1gumA in template set T0147_twice 344 :GFHEPVFAP 1gumA 141 :RGHGQSFLV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.38712 Ang CA(62) at 16.911 -33.861 -26.51 in (null):A-9999 (8) and CD(70) at 15.6552 -31.8432 -26.7335 in (null):P-9999 (9) neighbor-bump: 2.22983 Ang CB(63) at 17.417 -32.91 -27.588 in (null):A-9999 (8) and CD(70) at 15.6552 -31.8432 -26.7335 in (null):P-9999 (9) neighbor-bump: 1.97772 Ang C(65) at 16.346 -33.084 -25.357 in (null):A-9999 (8) and CD(70) at 15.6552 -31.8432 -26.7335 in (null):P-9999 (9) neighbor-bump: 2.75807 Ang C(65) at 16.346 -33.084 -25.357 in (null):A-9999 (8) and CG(69) at 15.8225 -30.4841 -26.1144 in (null):P-9999 (9) other bump:2.52931 Ang ND1(22) at 17.193 -37.658 -21.71 in (null):H-9999 (3) and N(36) at 16.3 -40.015 -21.921 in (null):P-9999 (5) Number of specific fragments= 1 total=2834 # 1h6lA.344.344 read from T0147_twice.t2k.frag # found chain 1h6lA in training set T0147_twice 344 :GFHEPVFA 1h6lA 373 :DPRKMTDR Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.89558 Ang C(26) at 24.786 -10.55 10.007 in (null):H-9999 (3) and CD(40) at 22.1327 -11.7033 10.1258 in (null):P-9999 (5) neighbor-bump: 2.45941 Ang N(27) at 24.372 -11.277 11.049 in (null):E-9999 (4) and CD(40) at 22.1327 -11.7033 10.1258 in (null):P-9999 (5) neighbor-bump: 3.077 Ang CD1(10) at 23.2459 -5.25516 11.1956 in (null):F-9999 (2) and NE2(24) at 26.2926 -4.85944 11.3649 in (null):H-9999 (3) neighbor-bump: 2.01732 Ang CE1(12) at 24.3694 -4.45467 10.9101 in (null):F-9999 (2) and NE2(24) at 26.2926 -4.85944 11.3649 in (null):H-9999 (3) neighbor-bump: 2.46512 Ang CE2(13) at 24.8441 -4.32926 13.2878 in (null):F-9999 (2) and NE2(24) at 26.2926 -4.85944 11.3649 in (null):H-9999 (3) neighbor-bump: 1.53766 Ang CZ(14) at 25.1686 -3.99411 11.9584 in (null):F-9999 (2) and NE2(24) at 26.2926 -4.85944 11.3649 in (null):H-9999 (3) neighbor-bump: 2.98431 Ang CD1(10) at 23.2459 -5.25516 11.1956 in (null):F-9999 (2) and CE1(23) at 25.985 -4.85468 10.0808 in (null):H-9999 (3) neighbor-bump: 1.85962 Ang CE1(12) at 24.3694 -4.45467 10.9101 in (null):F-9999 (2) and CE1(23) at 25.985 -4.85468 10.0808 in (null):H-9999 (3) neighbor-bump: 2.22094 Ang CZ(14) at 25.1686 -3.99411 11.9584 in (null):F-9999 (2) and CE1(23) at 25.985 -4.85468 10.0808 in (null):H-9999 (3) neighbor-bump: 3.22249 Ang CD1(10) at 23.2459 -5.25516 11.1956 in (null):F-9999 (2) and ND1(22) at 25.9467 -6.10606 9.65743 in (null):H-9999 (3) neighbor-bump: 2.60468 Ang CE1(12) at 24.3694 -4.45467 10.9101 in (null):F-9999 (2) and ND1(22) at 25.9467 -6.10606 9.65743 in (null):H-9999 (3) neighbor-bump: 3.21872 Ang CZ(14) at 25.1686 -3.99411 11.9584 in (null):F-9999 (2) and ND1(22) at 25.9467 -6.10606 9.65743 in (null):H-9999 (3) neighbor-bump: 2.52473 Ang CZ(14) at 25.1686 -3.99411 11.9584 in (null):F-9999 (2) and CD2(21) at 26.4573 -6.15793 11.781 in (null):H-9999 (3) Number of specific fragments= 1 total=2835 # 1cvmA.344.344 read from T0147_twice.t2k.frag # found chain 1cvmA in template set T0147_twice 344 :GFHEPVFA 1cvmA 373 :DPRKMTDR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:3.11426 Ang CZ(58) at 12.3479 -19.0017 4.92548 in (null):F-9999 (7) and CA(67) at 10.274 -18.312 7.144 in (null):G-9999 (9) other bump:3.1894 Ang CZ(58) at 12.3479 -19.0017 4.92548 in (null):F-9999 (7) and N(66) at 11.503 -18.345 7.93 in (null):G-9999 (9) other bump:2.95727 Ang C(26) at 24.966 -10.331 10.19 in (null):H-9999 (3) and CD(40) at 22.2414 -11.4015 10.6093 in (null):P-9999 (5) neighbor-bump: 2.36072 Ang N(27) at 24.477 -10.985 11.243 in (null):E-9999 (4) and CD(40) at 22.2414 -11.4015 10.6093 in (null):P-9999 (5) Number of specific fragments= 1 total=2836 # 1gumA.345.141 read from T0147_twice.t2k.frag # found chain 1gumA in template set T0147_twice 345 :FHEPVFAPH 1gumA 142 :GHGQSFLVG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.39921 Ang CB(59) at 17.417 -32.91 -27.588 in (null):A-9999 (7) and CD(66) at 15.4452 -31.781 -26.8174 in (null):P-9999 (8) other bump:2.52931 Ang ND1(18) at 17.193 -37.658 -21.71 in (null):H-9999 (2) and N(32) at 16.3 -40.015 -21.921 in (null):P-9999 (4) Number of specific fragments= 1 total=2837 # 1qrrA.345.248 read from T0147_twice.t2k.frag # found chain 1qrrA in template set T0147_twice 345 :FHEPVFAPH 1qrrA 249 :VGHPLTVYG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.28719 Ang CA(70) at 78.564 107.51 21.39 in (null):H-9999 (9) and CB(71) at 79.7081 107.106 20.9607 in (null):H-9999 (9) Number of specific fragments= 1 total=2838 # 1huvA.345.276 read from T0147_twice.t2k.frag # found chain 1huvA in template set T0147_twice 345 :FHEPVFAPH 1huvA 277 :TGKPVLIDS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.38185 Ang CA(58) at 81.491 80.538 33.886 in (null):A-9999 (7) and CD(66) at 80.0541 81.271 32.1335 in (null):P-9999 (8) neighbor-bump: 1.84649 Ang C(61) at 81.647 80.368 32.372 in (null):A-9999 (7) and CD(66) at 80.0541 81.271 32.1335 in (null):P-9999 (8) neighbor-bump: 2.56863 Ang O(11) at 78.089 79.34 48.857 in (null):F-9999 (1) and CE1(19) at 77.2175 79.5285 51.2659 in (null):H-9999 (2) neighbor-bump: 2.30617 Ang O(11) at 78.089 79.34 48.857 in (null):F-9999 (1) and ND1(18) at 78.5251 79.416 51.1203 in (null):H-9999 (2) neighbor-bump: 2.2549 Ang O(11) at 78.089 79.34 48.857 in (null):F-9999 (1) and CD2(17) at 77.6244 77.6249 50.2452 in (null):H-9999 (2) neighbor-bump: 2.08586 Ang O(11) at 78.089 79.34 48.857 in (null):F-9999 (1) and CG(16) at 78.8156 78.2322 50.4681 in (null):H-9999 (2) neighbor-bump: 2.75947 Ang C(12) at 79.011 79.928 48.3 in (null):F-9999 (1) and CG(16) at 78.8156 78.2322 50.4681 in (null):H-9999 (2) Number of specific fragments= 1 total=2839 # 1r2fA.345.264 read from T0147_twice.t2k.frag # adding 1r2fA to template set 1r2fA:# found chain 1r2fA in template set T0147_twice 345 :FHEPVFAPH 1r2fA 265 :LGYEALFPP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35669 Ang CA(70) at 40.013 24.379 52.39 in (null):H-9999 (9) and CB(71) at 40.8422 25.4076 52.6983 in (null):H-9999 (9) Number of specific fragments= 1 total=2840 # 2bnh.345.345 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 345 :FHEPVFAPH 2bnh 345 :SNKLGDSGI Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.91844 Ang O(37) at -10.978 50.374 14.412 in (null):P-9999 (4) and CD(66) at -11.891 51.8417 13.5797 in (null):P-9999 (8) other bump:3.09824 Ang C(38) at -10.359 49.316 14.514 in (null):P-9999 (4) and CD(66) at -11.891 51.8417 13.5797 in (null):P-9999 (8) other bump:1.59025 Ang O(37) at -10.978 50.374 14.412 in (null):P-9999 (4) and CG(65) at -11.0322 51.9077 14.8288 in (null):P-9999 (8) other bump:2.69613 Ang C(38) at -10.359 49.316 14.514 in (null):P-9999 (4) and CG(65) at -11.0322 51.9077 14.8288 in (null):P-9999 (8) other bump:2.27765 Ang O(37) at -10.978 50.374 14.412 in (null):P-9999 (4) and CB(64) at -9.66314 52.2313 14.3154 in (null):P-9999 (8) other bump:3.00375 Ang C(38) at -10.359 49.316 14.514 in (null):P-9999 (4) and CB(64) at -9.66314 52.2313 14.3154 in (null):P-9999 (8) other bump:3.2674 Ang CA(33) at -9.134 49.208 15.436 in (null):P-9999 (4) and CB(64) at -9.66314 52.2313 14.3154 in (null):P-9999 (8) neighbor-bump: 2.9547 Ang CG1(42) at -13.5613 47.7533 11.3676 in (null):V-9999 (5) and CD2(51) at -14.3962 47.1322 8.60221 in (null):F-9999 (6) neighbor-bump: 2.8103 Ang CG1(42) at -13.5613 47.7533 11.3676 in (null):V-9999 (5) and CA(47) at -12.65 49.856 9.741 in (null):F-9999 (6) neighbor-bump: 2.37927 Ang CB(41) at -13.0175 47.5371 12.768 in (null):V-9999 (5) and N(46) at -12.733 49.068 10.969 in (null):F-9999 (6) neighbor-bump: 1.6042 Ang CG1(42) at -13.5613 47.7533 11.3676 in (null):V-9999 (5) and N(46) at -12.733 49.068 10.969 in (null):F-9999 (6) self-bump: 2.1833 Ang CB(41) at -13.0175 47.5371 12.768 in (null):V-9999 (5) and C(45) at -11.749 49.064 11.859 in (null):V-9999 (5) self-bump: 2.28993 Ang CG1(42) at -13.5613 47.7533 11.3676 in (null):V-9999 (5) and C(45) at -11.749 49.064 11.859 in (null):V-9999 (5) self-bump: 1.29857 Ang CA(40) at -11.939 48.191 13.077 in (null):V-9999 (5) and CB(41) at -13.0175 47.5371 12.768 in (null):V-9999 (5) other bump:2.08645 Ang O(21) at -7.464 45.309 16.657 in (null):H-9999 (2) and CD(36) at -7.80792 47.2788 16.0613 in (null):P-9999 (4) other bump:2.43729 Ang C(22) at -7.354 45.67 17.835 in (null):H-9999 (2) and CD(36) at -7.80792 47.2788 16.0613 in (null):P-9999 (4) Number of specific fragments= 1 total=2841 # 1e79D.345.345 read from T0147_twice.t2k.frag # adding 1e79D to template set 1e79D:# found chain 1e79D in template set T0147_twice 345 :FHEPVFAPH 1e79D 342 :LGIYPAVDP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39313 Ang CA(70) at 88.209 58.143 53.473 in (null):H-9999 (9) and CB(71) at 86.9234 57.6823 53.1976 in (null):H-9999 (9) other bump:2.11039 Ang O(21) at 85.361 49.34 64.498 in (null):H-9999 (2) and CD(36) at 86.872 49.0006 63.0643 in (null):P-9999 (4) other bump:2.66692 Ang C(22) at 85.683 50.433 64.974 in (null):H-9999 (2) and CD(36) at 86.872 49.0006 63.0643 in (null):P-9999 (4) neighbor-bump: 2.02459 Ang C(31) at 87.247 50.795 62.205 in (null):E-9999 (3) and CD(36) at 86.872 49.0006 63.0643 in (null):P-9999 (4) Number of specific fragments= 1 total=2842 # 2bnh.346.346 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 346 :HEPVFAPHD 2bnh 346 :NKLGDSGIQ Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.10151 Ang CB(23) at -7.81544 49.2055 14.6669 in (null):P-9999 (3) and CE1(64) at -7.41092 47.9748 11.8489 in (null):H-9999 (8) other bump:2.02151 Ang O(33) at -10.744 49.759 11.752 in (null):V-9999 (4) and CD2(62) at -9.31689 48.5765 10.9448 in (null):H-9999 (8) other bump:2.64359 Ang C(34) at -11.749 49.064 11.859 in (null):V-9999 (4) and CD2(62) at -9.31689 48.5765 10.9448 in (null):H-9999 (8) other bump:3.09824 Ang C(27) at -10.359 49.316 14.514 in (null):P-9999 (3) and CD(55) at -11.891 51.8417 13.5797 in (null):P-9999 (7) other bump:1.91844 Ang O(26) at -10.978 50.374 14.412 in (null):P-9999 (3) and CD(55) at -11.891 51.8417 13.5797 in (null):P-9999 (7) other bump:2.69613 Ang C(27) at -10.359 49.316 14.514 in (null):P-9999 (3) and CG(54) at -11.0322 51.9077 14.8288 in (null):P-9999 (7) other bump:1.59025 Ang O(26) at -10.978 50.374 14.412 in (null):P-9999 (3) and CG(54) at -11.0322 51.9077 14.8288 in (null):P-9999 (7) other bump:3.00375 Ang C(27) at -10.359 49.316 14.514 in (null):P-9999 (3) and CB(53) at -9.66314 52.2313 14.3154 in (null):P-9999 (7) other bump:2.27765 Ang O(26) at -10.978 50.374 14.412 in (null):P-9999 (3) and CB(53) at -9.66314 52.2313 14.3154 in (null):P-9999 (7) other bump:3.2674 Ang CA(22) at -9.134 49.208 15.436 in (null):P-9999 (3) and CB(53) at -9.66314 52.2313 14.3154 in (null):P-9999 (7) neighbor-bump: 2.9547 Ang CG1(31) at -13.5613 47.7532 11.3676 in (null):V-9999 (4) and CD2(40) at -14.3962 47.1322 8.60221 in (null):F-9999 (5) neighbor-bump: 2.8103 Ang CG1(31) at -13.5613 47.7532 11.3676 in (null):V-9999 (4) and CA(36) at -12.65 49.856 9.741 in (null):F-9999 (5) neighbor-bump: 2.37927 Ang CB(30) at -13.0175 47.5371 12.768 in (null):V-9999 (4) and N(35) at -12.733 49.068 10.969 in (null):F-9999 (5) neighbor-bump: 1.6042 Ang CG1(31) at -13.5613 47.7532 11.3676 in (null):V-9999 (4) and N(35) at -12.733 49.068 10.969 in (null):F-9999 (5) self-bump: 2.1833 Ang CB(30) at -13.0175 47.5371 12.768 in (null):V-9999 (4) and C(34) at -11.749 49.064 11.859 in (null):V-9999 (4) self-bump: 2.28993 Ang CG1(31) at -13.5613 47.7532 11.3676 in (null):V-9999 (4) and C(34) at -11.749 49.064 11.859 in (null):V-9999 (4) self-bump: 1.29857 Ang CA(29) at -11.939 48.191 13.077 in (null):V-9999 (4) and CB(30) at -13.0175 47.5371 12.768 in (null):V-9999 (4) other bump:2.08645 Ang O(10) at -7.464 45.309 16.657 in (null):H-9999 (1) and CD(25) at -7.80792 47.2788 16.0613 in (null):P-9999 (3) other bump:2.4373 Ang C(11) at -7.354 45.67 17.835 in (null):H-9999 (1) and CD(25) at -7.80792 47.2788 16.0613 in (null):P-9999 (3) Number of specific fragments= 1 total=2843 # 1r2fA.346.265 read from T0147_twice.t2k.frag # found chain 1r2fA in template set T0147_twice 346 :HEPVFAPHD 1r2fA 266 :GYEALFPPE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35669 Ang CA(59) at 40.013 24.379 52.39 in (null):H-9999 (8) and CB(60) at 40.8422 25.4076 52.6983 in (null):H-9999 (8) Number of specific fragments= 1 total=2844 # 1gumA.346.142 read from T0147_twice.t2k.frag # found chain 1gumA in template set T0147_twice 346 :HEPVFAPHD 1gumA 143 :HGQSFLVGN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76104 Ang CB(23) at 14.015 -39.045 -22.369 in (null):P-9999 (3) and OD1(72) at 11.3801 -38.8522 -23.171 in (null):D-9999 (9) neighbor-bump: 2.39921 Ang CB(48) at 17.417 -32.91 -27.588 in (null):A-9999 (6) and CD(55) at 15.4452 -31.781 -26.8174 in (null):P-9999 (7) other bump:2.52931 Ang ND1(7) at 17.193 -37.658 -21.71 in (null):H-9999 (1) and N(21) at 16.3 -40.015 -21.921 in (null):P-9999 (3) Number of specific fragments= 1 total=2845 # 1e79D.346.346 read from T0147_twice.t2k.frag # found chain 1e79D in template set T0147_twice 346 :HEPVFAPHD 1e79D 343 :GIYPAVDPL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39312 Ang CA(59) at 88.209 58.143 53.473 in (null):H-9999 (8) and CB(60) at 86.9234 57.6823 53.1976 in (null):H-9999 (8) other bump:2.11039 Ang O(10) at 85.361 49.34 64.498 in (null):H-9999 (1) and CD(25) at 86.872 49.0006 63.0643 in (null):P-9999 (3) other bump:2.66692 Ang C(11) at 85.683 50.433 64.974 in (null):H-9999 (1) and CD(25) at 86.872 49.0006 63.0643 in (null):P-9999 (3) neighbor-bump: 2.02459 Ang C(20) at 87.247 50.795 62.205 in (null):E-9999 (2) and CD(25) at 86.872 49.0006 63.0643 in (null):P-9999 (3) Number of specific fragments= 1 total=2846 # 1fi4A.346.348 read from T0147_twice.t2k.frag # found chain 1fi4A in template set T0147_twice 346 :HEPVFAPHD 1fi4A 329 :SVPGWDKKF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.95175 Ang O(26) at 20.905 64.66 38.552 in (null):P-9999 (3) and CG2(32) at 21.7076 63.4615 37.2372 in (null):V-9999 (4) neighbor-bump: 2.62999 Ang C(27) at 21.673 64.767 39.52 in (null):P-9999 (3) and CG2(32) at 21.7076 63.4615 37.2372 in (null):V-9999 (4) neighbor-bump: 1.98663 Ang O(26) at 20.905 64.66 38.552 in (null):P-9999 (3) and CB(30) at 22.253 64.8918 37.1112 in (null):V-9999 (4) neighbor-bump: 2.4808 Ang C(27) at 21.673 64.767 39.52 in (null):P-9999 (3) and CB(30) at 22.253 64.8918 37.1112 in (null):V-9999 (4) Number of specific fragments= 1 total=2847 # 1bw9A.346.277 read from T0147_twice.t2k.frag # adding 1bw9A to template set 1bw9A:Skipped atom 69, because occupancy 0.5 <= existing 0.500001 Skipped atom 71, because occupancy 0.5 <= existing 0.500001 Skipped atom 73, because occupancy 0.5 <= existing 0.500001 Skipped atom 75, because occupancy 0.5 <= existing 0.500001 Skipped atom 402, because occupancy 0.5 <= existing 0.500001 Skipped atom 404, because occupancy 0.5 <= existing 0.500001 Skipped atom 406, because occupancy 0.5 <= existing 0.500001 Skipped atom 412, because occupancy 0.5 <= existing 0.500001 Skipped atom 414, because occupancy 0.5 <= existing 0.500001 Skipped atom 416, because occupancy 0.5 <= existing 0.500001 Skipped atom 418, because occupancy 0.5 <= existing 0.500001 Skipped atom 545, because occupancy 0.5 <= existing 0.500001 Skipped atom 547, because occupancy 0.5 <= existing 0.500001 Skipped atom 549, because occupancy 0.5 <= existing 0.500001 Skipped atom 551, because occupancy 0.5 <= existing 0.500001 Skipped atom 652, because occupancy 0.5 <= existing 0.500001 Skipped atom 654, because occupancy 0.5 <= existing 0.500001 Skipped atom 668, because occupancy 0.5 <= existing 0.500001 Skipped atom 670, because occupancy 0.5 <= existing 0.500001 Skipped atom 672, because occupancy 0.5 <= existing 0.500001 Skipped atom 674, because occupancy 0.5 <= existing 0.500001 Skipped atom 830, because occupancy 0.5 <= existing 0.500001 Skipped atom 832, because occupancy 0.5 <= existing 0.500001 Skipped atom 932, because occupancy 0.5 <= existing 0.500001 Skipped atom 934, because occupancy 0.5 <= existing 0.500001 Skipped atom 1892, because occupancy 0.5 <= existing 0.500001 Skipped atom 1894, because occupancy 0.5 <= existing 0.500001 Skipped atom 1896, because occupancy 0.5 <= existing 0.500001 Skipped atom 1898, because occupancy 0.5 <= existing 0.500001 # found chain 1bw9A in template set T0147_twice 346 :HEPVFAPHD 1bw9A 277 :RGILYAPDF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.87942 Ang CD2(62) at 23.141 37.2915 -18.1082 in (null):H-9999 (8) and N(68) at 23.742 35.956 -15.629 in (null):D-9999 (9) self-bump: 1.33333 Ang CA(59) at 25.47 37.597 -16.119 in (null):H-9999 (8) and CB(60) at 25.1264 38.5402 -16.9965 in (null):H-9999 (8) neighbor-bump: 2.61208 Ang N(12) at 42.308 33.271 -18.658 in (null):E-9999 (2) and CD(25) at 41.0586 35.4836 -19.2633 in (null):P-9999 (3) other bump:3.27732 Ang CA(3) at 42.917 33.446 -21.034 in (null):H-9999 (1) and CD(25) at 41.0586 35.4836 -19.2633 in (null):P-9999 (3) other bump:2.56902 Ang C(11) at 43.05 33.893 -19.586 in (null):H-9999 (1) and CD(25) at 41.0586 35.4836 -19.2633 in (null):P-9999 (3) Number of specific fragments= 1 total=2848 # 1r2fA.347.266 read from T0147_twice.t2k.frag # found chain 1r2fA in template set T0147_twice 347 :EPVFAPHDK 1r2fA 267 :YEALFPPEM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35669 Ang CA(49) at 40.013 24.379 52.39 in (null):H-9999 (7) and CB(50) at 40.8422 25.4076 52.6983 in (null):H-9999 (7) Number of specific fragments= 1 total=2849 # 2bnh.347.347 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 347 :EPVFAPHDK 2bnh 347 :KLGDSGIQE Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.1015 Ang CB(13) at -7.81544 49.2055 14.6669 in (null):P-9999 (2) and CE1(54) at -7.41092 47.9748 11.8489 in (null):H-9999 (7) other bump:2.64359 Ang C(24) at -11.749 49.064 11.859 in (null):V-9999 (3) and CD2(52) at -9.31689 48.5765 10.9448 in (null):H-9999 (7) other bump:2.02151 Ang O(23) at -10.744 49.759 11.752 in (null):V-9999 (3) and CD2(52) at -9.31689 48.5765 10.9448 in (null):H-9999 (7) other bump:1.91844 Ang O(16) at -10.978 50.374 14.412 in (null):P-9999 (2) and CD(45) at -11.891 51.8417 13.5797 in (null):P-9999 (6) other bump:3.09824 Ang C(17) at -10.359 49.316 14.514 in (null):P-9999 (2) and CD(45) at -11.891 51.8417 13.5797 in (null):P-9999 (6) other bump:1.59025 Ang O(16) at -10.978 50.374 14.412 in (null):P-9999 (2) and CG(44) at -11.0322 51.9077 14.8288 in (null):P-9999 (6) other bump:2.69613 Ang C(17) at -10.359 49.316 14.514 in (null):P-9999 (2) and CG(44) at -11.0322 51.9077 14.8288 in (null):P-9999 (6) other bump:3.2674 Ang CA(12) at -9.134 49.208 15.436 in (null):P-9999 (2) and CB(43) at -9.66314 52.2313 14.3154 in (null):P-9999 (6) other bump:2.27765 Ang O(16) at -10.978 50.374 14.412 in (null):P-9999 (2) and CB(43) at -9.66314 52.2313 14.3154 in (null):P-9999 (6) other bump:3.00375 Ang C(17) at -10.359 49.316 14.514 in (null):P-9999 (2) and CB(43) at -9.66314 52.2313 14.3154 in (null):P-9999 (6) neighbor-bump: 2.9547 Ang CG1(21) at -13.5613 47.7533 11.3676 in (null):V-9999 (3) and CD2(30) at -14.3962 47.1322 8.60221 in (null):F-9999 (4) neighbor-bump: 2.8103 Ang CG1(21) at -13.5613 47.7533 11.3676 in (null):V-9999 (3) and CA(26) at -12.65 49.856 9.741 in (null):F-9999 (4) neighbor-bump: 2.37928 Ang CB(20) at -13.0175 47.5371 12.768 in (null):V-9999 (3) and N(25) at -12.733 49.068 10.969 in (null):F-9999 (4) neighbor-bump: 1.6042 Ang CG1(21) at -13.5613 47.7533 11.3676 in (null):V-9999 (3) and N(25) at -12.733 49.068 10.969 in (null):F-9999 (4) self-bump: 2.18331 Ang CB(20) at -13.0175 47.5371 12.768 in (null):V-9999 (3) and C(24) at -11.749 49.064 11.859 in (null):V-9999 (3) self-bump: 2.28993 Ang CG1(21) at -13.5613 47.7533 11.3676 in (null):V-9999 (3) and C(24) at -11.749 49.064 11.859 in (null):V-9999 (3) self-bump: 1.29857 Ang CA(19) at -11.939 48.191 13.077 in (null):V-9999 (3) and CB(20) at -13.0175 47.5371 12.768 in (null):V-9999 (3) other bump:2.08645 Ang O(0) at -7.464 45.309 16.657 in (null):G-9999 (0) and CD(15) at -7.80792 47.2788 16.0613 in (null):P-9999 (2) other bump:2.43729 Ang C(1) at -7.354 45.67 17.835 in (null):G-9999 (0) and CD(15) at -7.80792 47.2788 16.0613 in (null):P-9999 (2) Number of specific fragments= 1 total=2850 # 1a8y.347.203 read from T0147_twice.t2k.frag # adding 1a8y to template set 1a8y:# found chain 1a8y in template set T0147_twice 347 :EPVFAPHDK 1a8y 204 :EPVTIPDKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2851 # 1gumA.347.143 read from T0147_twice.t2k.frag # found chain 1gumA in template set T0147_twice 347 :EPVFAPHDK 1gumA 144 :GQSFLVGNQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76104 Ang CB(13) at 14.015 -39.045 -22.369 in (null):P-9999 (2) and OD1(62) at 11.3801 -38.8522 -23.171 in (null):D-9999 (8) neighbor-bump: 2.39921 Ang CB(38) at 17.417 -32.91 -27.588 in (null):A-9999 (5) and CD(45) at 15.4452 -31.781 -26.8174 in (null):P-9999 (6) Number of specific fragments= 1 total=2852 # 1jdw.347.348 read from T0147_twice.t2k.frag # adding 1jdw to template set 1jdw:# found chain 1jdw in template set T0147_twice 347 :EPVFAPHDK 1jdw 349 :HPLWMSSKW Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 0.570325 Ang C(40) at 49.748 75.922 18.259 in (null):A-9999 (5) and CD(45) at 49.9568 75.4163 18.098 in (null):P-9999 (6) self-bump: 1.39483 Ang N(41) at 48.696 75.582 17.525 in (null):P-9999 (6) and CD(45) at 49.9568 75.4163 18.098 in (null):P-9999 (6) neighbor-bump: 2.16318 Ang CB(38) at 51.696 75.254 16.822 in (null):A-9999 (5) and CD(45) at 49.9568 75.4163 18.098 in (null):P-9999 (6) neighbor-bump: 2.52247 Ang N(36) at 51.83 77.061 18.484 in (null):A-9999 (5) and CD(45) at 49.9568 75.4163 18.098 in (null):P-9999 (6) neighbor-bump: 1.54301 Ang CA(37) at 50.971 76.416 17.504 in (null):A-9999 (5) and CD(45) at 49.9568 75.4163 18.098 in (null):P-9999 (6) neighbor-bump: 1.47093 Ang O(39) at 49.763 75.844 19.492 in (null):A-9999 (5) and CD(45) at 49.9568 75.4163 18.098 in (null):P-9999 (6) neighbor-bump: 1.48405 Ang C(40) at 49.748 75.922 18.259 in (null):A-9999 (5) and CG(44) at 49.5638 75.1966 19.5405 in (null):P-9999 (6) neighbor-bump: 3.11896 Ang N(36) at 51.83 77.061 18.484 in (null):A-9999 (5) and CG(44) at 49.5638 75.1966 19.5405 in (null):P-9999 (6) neighbor-bump: 2.75945 Ang CA(37) at 50.971 76.416 17.504 in (null):A-9999 (5) and CG(44) at 49.5638 75.1966 19.5405 in (null):P-9999 (6) neighbor-bump: 0.679096 Ang O(39) at 49.763 75.844 19.492 in (null):A-9999 (5) and CG(44) at 49.5638 75.1966 19.5405 in (null):P-9999 (6) neighbor-bump: 2.40259 Ang C(40) at 49.748 75.922 18.259 in (null):A-9999 (5) and CB(43) at 48.3094 74.3883 19.4212 in (null):P-9999 (6) neighbor-bump: 2.05839 Ang O(39) at 49.763 75.844 19.492 in (null):A-9999 (5) and CB(43) at 48.3094 74.3883 19.4212 in (null):P-9999 (6) Number of specific fragments= 1 total=2853 # 1e79D.347.347 read from T0147_twice.t2k.frag # found chain 1e79D in template set T0147_twice 347 :EPVFAPHDK 1e79D 344 :IYPAVDPLD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39312 Ang CA(49) at 88.209 58.143 53.473 in (null):H-9999 (7) and CB(50) at 86.9234 57.6823 53.1976 in (null):H-9999 (7) other bump:2.11039 Ang O(0) at 85.361 49.34 64.498 in (null):G-9999 (0) and CD(15) at 86.872 49.0006 63.0643 in (null):P-9999 (2) other bump:2.66692 Ang C(1) at 85.683 50.433 64.974 in (null):G-9999 (0) and CD(15) at 86.872 49.0006 63.0643 in (null):P-9999 (2) neighbor-bump: 2.02459 Ang C(10) at 87.247 50.795 62.205 in (null):E-9999 (1) and CD(15) at 86.872 49.0006 63.0643 in (null):P-9999 (2) Number of specific fragments= 1 total=2854 # 1r2fA.348.267 read from T0147_twice.t2k.frag # found chain 1r2fA in template set T0147_twice 348 :PVFAPHDKA 1r2fA 268 :EALFPPEMA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35669 Ang CA(40) at 40.013 24.379 52.39 in (null):H-9999 (6) and CB(41) at 40.8422 25.4076 52.6983 in (null):H-9999 (6) Number of specific fragments= 1 total=2855 # 1a8y.348.204 read from T0147_twice.t2k.frag # found chain 1a8y in template set T0147_twice 348 :PVFAPHDKA 1a8y 205 :PVTIPDKPN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2856 # 1gumA.348.144 read from T0147_twice.t2k.frag # found chain 1gumA in template set T0147_twice 348 :PVFAPHDKA 1gumA 145 :QSFLVGNQL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76104 Ang CB(4) at 14.015 -39.045 -22.369 in (null):P-9999 (1) and OD1(53) at 11.3801 -38.8522 -23.171 in (null):D-9999 (7) neighbor-bump: 2.39921 Ang CB(29) at 17.417 -32.91 -27.588 in (null):A-9999 (4) and CD(36) at 15.4452 -31.781 -26.8174 in (null):P-9999 (5) Number of specific fragments= 1 total=2857 # 6pfkA.348.187 read from T0147_twice.t2k.frag # adding 6pfkA to template set 6pfkA:Skipped atom 1875, because occupancy 0.5 <= existing 0.500001 Skipped atom 1877, because occupancy 0.5 <= existing 0.500001 Skipped atom 1879, because occupancy 0.5 <= existing 0.500001 Skipped atom 1881, because occupancy 0.5 <= existing 0.500001 Skipped atom 1883, because occupancy 0.5 <= existing 0.500001 Skipped atom 1885, because occupancy 0.5 <= existing 0.500001 # found chain 6pfkA in template set T0147_twice 348 :PVFAPHDKA 6pfkA 188 :TILIPEADY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87165 Ang CD2(21) at 38.6907 20.95 63.3451 in (null):F-9999 (3) and CB(68) at 41.334 21.773 64.108 in (null):A-9999 (9) other bump:2.48325 Ang CE2(23) at 38.9137 22.2409 63.8088 in (null):F-9999 (3) and CB(68) at 41.334 21.773 64.108 in (null):A-9999 (9) neighbor-bump: 1.80829 Ang C(1) at 34.472 26.757 57.754 in (null):G-9999 (0) and CD(6) at 33.5923 26.616 59.3276 in (null):P-9999 (1) neighbor-bump: 2.69311 Ang C(1) at 34.472 26.757 57.754 in (null):G-9999 (0) and CG(5) at 34.5911 26.7326 60.4444 in (null):P-9999 (1) Number of specific fragments= 1 total=2858 # 1e79D.348.348 read from T0147_twice.t2k.frag # found chain 1e79D in template set T0147_twice 348 :PVFAPHDKA 1e79D 345 :YPAVDPLDS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39312 Ang CA(40) at 88.209 58.143 53.473 in (null):H-9999 (6) and CB(41) at 86.9234 57.6823 53.1976 in (null):H-9999 (6) neighbor-bump: 2.11485 Ang C(1) at 87.247 50.795 62.205 in (null):G-9999 (0) and CD(6) at 86.7804 48.8905 62.9974 in (null):P-9999 (1) Number of specific fragments= 1 total=2859 # 1jdw.348.349 read from T0147_twice.t2k.frag # found chain 1jdw in template set T0147_twice 348 :PVFAPHDKA 1jdw 350 :PLWMSSKWL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39483 Ang N(32) at 48.696 75.582 17.525 in (null):P-9999 (5) and CD(36) at 49.9568 75.4163 18.098 in (null):P-9999 (5) neighbor-bump: 2.52247 Ang N(27) at 51.83 77.061 18.484 in (null):A-9999 (4) and CD(36) at 49.9568 75.4163 18.098 in (null):P-9999 (5) neighbor-bump: 1.54301 Ang CA(28) at 50.971 76.416 17.504 in (null):A-9999 (4) and CD(36) at 49.9568 75.4163 18.098 in (null):P-9999 (5) neighbor-bump: 2.16318 Ang CB(29) at 51.696 75.254 16.822 in (null):A-9999 (4) and CD(36) at 49.9568 75.4163 18.098 in (null):P-9999 (5) neighbor-bump: 1.47093 Ang O(30) at 49.763 75.844 19.492 in (null):A-9999 (4) and CD(36) at 49.9568 75.4163 18.098 in (null):P-9999 (5) neighbor-bump: 0.570325 Ang C(31) at 49.748 75.922 18.259 in (null):A-9999 (4) and CD(36) at 49.9568 75.4163 18.098 in (null):P-9999 (5) neighbor-bump: 3.11896 Ang N(27) at 51.83 77.061 18.484 in (null):A-9999 (4) and CG(35) at 49.5638 75.1966 19.5405 in (null):P-9999 (5) neighbor-bump: 2.75945 Ang CA(28) at 50.971 76.416 17.504 in (null):A-9999 (4) and CG(35) at 49.5638 75.1966 19.5405 in (null):P-9999 (5) neighbor-bump: 0.679096 Ang O(30) at 49.763 75.844 19.492 in (null):A-9999 (4) and CG(35) at 49.5638 75.1966 19.5405 in (null):P-9999 (5) neighbor-bump: 1.48405 Ang C(31) at 49.748 75.922 18.259 in (null):A-9999 (4) and CG(35) at 49.5638 75.1966 19.5405 in (null):P-9999 (5) neighbor-bump: 2.05839 Ang O(30) at 49.763 75.844 19.492 in (null):A-9999 (4) and CB(34) at 48.3094 74.3883 19.4212 in (null):P-9999 (5) neighbor-bump: 2.40259 Ang C(31) at 49.748 75.922 18.259 in (null):A-9999 (4) and CB(34) at 48.3094 74.3883 19.4212 in (null):P-9999 (5) Number of specific fragments= 1 total=2860 # 1a8y.349.205 read from T0147_twice.t2k.frag # found chain 1a8y in template set T0147_twice 349 :VFAPHDKAT 1a8y 206 :VTIPDKPNS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2861 # 1r2fA.349.268 read from T0147_twice.t2k.frag # found chain 1r2fA in template set T0147_twice 349 :VFAPHDKAT 1r2fA 269 :ALFPPEMAD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35669 Ang CA(33) at 40.013 24.379 52.39 in (null):H-9999 (5) and CB(34) at 40.8422 25.4076 52.6983 in (null):H-9999 (5) Number of specific fragments= 1 total=2862 # 6pfkA.349.188 read from T0147_twice.t2k.frag # found chain 6pfkA in template set T0147_twice 349 :VFAPHDKAT 6pfkA 189 :ILIPEADYD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87165 Ang CD2(14) at 38.6907 20.95 63.3451 in (null):F-9999 (2) and CB(61) at 41.334 21.773 64.108 in (null):A-9999 (8) other bump:2.48325 Ang CE2(16) at 38.9137 22.2409 63.8088 in (null):F-9999 (2) and CB(61) at 41.334 21.773 64.108 in (null):A-9999 (8) Number of specific fragments= 1 total=2863 # 1gumA.349.145 read from T0147_twice.t2k.frag # found chain 1gumA in template set T0147_twice 349 :VFAPHDKAT 1gumA 146 :SFLVGNQLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.39921 Ang CB(22) at 17.417 -32.91 -27.588 in (null):A-9999 (3) and CD(29) at 15.4452 -31.781 -26.8174 in (null):P-9999 (4) Number of specific fragments= 1 total=2864 # 4pfk.349.188 read from T0147_twice.t2k.frag # adding 4pfk to template set 4pfk:# found chain 4pfk in template set T0147_twice 349 :VFAPHDKAT 4pfk 189 :ILIPEADYD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81094 Ang CD2(14) at 16.0035 11.1564 23.4081 in (null):F-9999 (2) and CB(61) at 18.484 12.207 24.211 in (null):A-9999 (8) other bump:2.56144 Ang CE2(16) at 15.9722 12.4902 23.7969 in (null):F-9999 (2) and CB(61) at 18.484 12.207 24.211 in (null):A-9999 (8) Number of specific fragments= 1 total=2865 # 3pfk.349.188 read from T0147_twice.t2k.frag # adding 3pfk to template set 3pfk:# found chain 3pfk in template set T0147_twice 349 :VFAPHDKAT 3pfk 189 :ILIPEADYD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01281 Ang CD2(14) at 16.0072 11.1133 23.3014 in (null):F-9999 (2) and CB(61) at 18.641 12.094 24.387 in (null):A-9999 (8) other bump:2.79106 Ang CE2(16) at 15.9655 12.4506 23.6769 in (null):F-9999 (2) and CB(61) at 18.641 12.094 24.387 in (null):A-9999 (8) Number of specific fragments= 1 total=2866 # 1a8y.350.206 read from T0147_twice.t2k.frag # found chain 1a8y in template set T0147_twice 350 :FAPHDKATN 1a8y 207 :TIPDKPNSE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3624 Ang CA(65) at 49.827 90.792 112.953 in (null):N-9999 (9) and CB(66) at 50.1578 89.7401 112.153 in (null):N-9999 (9) Number of specific fragments= 1 total=2867 # 6pfkA.350.189 read from T0147_twice.t2k.frag # found chain 6pfkA in template set T0147_twice 350 :FAPHDKATN 6pfkA 190 :LIPEADYDM Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3892 Ang CA(65) at 39.672 25.085 68.804 in (null):N-9999 (9) and CB(66) at 38.837 24.4891 69.7408 in (null):N-9999 (9) other bump:3.11885 Ang CD2(7) at 38.3791 21.0068 63.4687 in (null):F-9999 (1) and CB(54) at 41.334 21.773 64.108 in (null):A-9999 (7) other bump:2.95961 Ang CE2(9) at 38.4287 22.327 64.0001 in (null):F-9999 (1) and CB(54) at 41.334 21.773 64.108 in (null):A-9999 (7) Number of specific fragments= 1 total=2868 # 1gumA.350.146 read from T0147_twice.t2k.frag # found chain 1gumA in template set T0147_twice 350 :FAPHDKATN 1gumA 147 :FLVGNQLSL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.39921 Ang CB(15) at 17.417 -32.91 -27.588 in (null):A-9999 (2) and CD(22) at 15.4452 -31.781 -26.8174 in (null):P-9999 (3) Number of specific fragments= 1 total=2869 # 1r2fA.350.269 read from T0147_twice.t2k.frag # found chain 1r2fA in template set T0147_twice 350 :FAPHDKATN 1r2fA 270 :LFPPEMADV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35669 Ang CA(26) at 40.013 24.379 52.39 in (null):H-9999 (4) and CB(27) at 40.8422 25.4076 52.6983 in (null):H-9999 (4) Number of specific fragments= 1 total=2870 # 4pfk.350.189 read from T0147_twice.t2k.frag # found chain 4pfk in template set T0147_twice 350 :FAPHDKATN 4pfk 190 :LIPEADYDM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09123 Ang CD2(7) at 15.669 11.183 23.4474 in (null):F-9999 (1) and CB(54) at 18.484 12.207 24.211 in (null):A-9999 (7) other bump:3.06973 Ang CE2(9) at 15.4518 12.5293 23.8573 in (null):F-9999 (1) and CB(54) at 18.484 12.207 24.211 in (null):A-9999 (7) Number of specific fragments= 1 total=2871 # 3pfk.350.189 read from T0147_twice.t2k.frag # found chain 3pfk in template set T0147_twice 350 :FAPHDKATN 3pfk 190 :LIPEADYDM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2872 # 1a8y.351.207 read from T0147_twice.t2k.frag # found chain 1a8y in template set T0147_twice 351 :APHDKATNT 1a8y 208 :IPDKPNSEE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3624 Ang CA(54) at 49.827 90.792 112.953 in (null):N-9999 (8) and CB(55) at 50.1578 89.7401 112.153 in (null):N-9999 (8) Number of specific fragments= 1 total=2873 # 6pfkA.351.190 read from T0147_twice.t2k.frag # found chain 6pfkA in template set T0147_twice 351 :APHDKATNT 6pfkA 191 :IPEADYDMN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38919 Ang CA(54) at 39.672 25.085 68.804 in (null):N-9999 (8) and CB(55) at 38.837 24.4891 69.7408 in (null):N-9999 (8) Number of specific fragments= 1 total=2874 # 1gumA.351.147 read from T0147_twice.t2k.frag # found chain 1gumA in template set T0147_twice 351 :APHDKATNT 1gumA 148 :LVGNQLSLA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.39921 Ang CB(4) at 17.417 -32.91 -27.588 in (null):A-9999 (1) and CD(11) at 15.4452 -31.781 -26.8174 in (null):P-9999 (2) Number of specific fragments= 1 total=2875 # 4pfk.351.190 read from T0147_twice.t2k.frag # found chain 4pfk in template set T0147_twice 351 :APHDKATNT 4pfk 191 :IPEADYDMN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2876 # 3pfk.351.190 read from T0147_twice.t2k.frag # found chain 3pfk in template set T0147_twice 351 :APHDKATNT 3pfk 191 :IPEADYDMN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2877 # 1b89A.351.351 read from T0147_twice.t2k.frag # adding 1b89A to template set 1b89A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # found chain 1b89A in template set T0147_twice 351 :APHDKATNT 1b89A 1425 :VLSPRLDHT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.47138 Ang N(2) at 53.887 13.238 87.724 in (null):A-9999 (1) and CD(11) at 55.4228 15.1687 87.5786 in (null):P-9999 (2) self-bump: 1.37596 Ang N(7) at 56.375 14.316 88.088 in (null):P-9999 (2) and CD(11) at 55.4228 15.1687 87.5786 in (null):P-9999 (2) Number of specific fragments= 1 total=2878 # 1a8y.352.208 read from T0147_twice.t2k.frag # found chain 1a8y in template set T0147_twice 352 :PHDKATNTQ 1a8y 209 :PDKPNSEEE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3624 Ang CA(49) at 49.827 90.792 112.953 in (null):N-9999 (7) and CB(50) at 50.1578 89.7401 112.153 in (null):N-9999 (7) Number of specific fragments= 1 total=2879 # 1ryp1.352.170 read from T0147_twice.t2k.frag # adding 1ryp1 to template set 1ryp1:# found chain 1ryp1 in template set T0147_twice 352 :PHDKATNTQ 1ryp1 162 :PLKYLSVEE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39587 Ang CA(49) at 88.106 -160.444 21.869 in (null):N-9999 (7) and CB(50) at 87.9621 -161.638 22.5781 in (null):N-9999 (7) Number of specific fragments= 1 total=2880 # 1b89A.352.352 read from T0147_twice.t2k.frag # found chain 1b89A in template set T0147_twice 352 :PHDKATNTQ 1b89A 1426 :LSPRLDHTR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37595 Ang N(2) at 56.375 14.316 88.088 in (null):P-9999 (1) and CD(6) at 55.4228 15.1687 87.5786 in (null):P-9999 (1) Number of specific fragments= 1 total=2881 # 1nsyA.352.179 read from T0147_twice.t2k.frag # adding 1nsyA to template set 1nsyA:# found chain 1nsyA in template set T0147_twice 352 :PHDKATNTQ 1nsyA 180 :PLTGLTKRQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34931 Ang CA(49) at 22.885 69.611 50.453 in (null):N-9999 (7) and CB(50) at 23.0057 68.2889 50.6939 in (null):N-9999 (7) neighbor-bump: 2.19881 Ang O(25) at 17.06 76.382 43.816 in (null):D-9999 (3) and CB(29) at 18.996 77.2935 43.31 in (null):K-9999 (4) neighbor-bump: 2.59651 Ang C(26) at 17.341 75.293 43.343 in (null):D-9999 (3) and CB(29) at 18.996 77.2935 43.31 in (null):K-9999 (4) Number of specific fragments= 1 total=2882 # 2nsyA.352.179 read from T0147_twice.t2k.frag # adding 2nsyA to template set 2nsyA:Skipped atom 125, because occupancy 0.5 <= existing 0.500001 Skipped atom 173, because occupancy 0.5 <= existing 0.500001 Skipped atom 175, because occupancy 0.5 <= existing 0.500001 Skipped atom 177, because occupancy 0.5 <= existing 0.500001 Skipped atom 179, because occupancy 0.5 <= existing 0.500001 Skipped atom 798, because occupancy 0.5 <= existing 0.500001 Skipped atom 800, because occupancy 0.5 <= existing 0.500001 Skipped atom 2000, because occupancy 0.5 <= existing 0.500001 Skipped atom 2002, because occupancy 0.5 <= existing 0.500001 Skipped atom 2004, because occupancy 0.5 <= existing 0.500001 Skipped atom 2006, because occupancy 0.5 <= existing 0.500001 # found chain 2nsyA in template set T0147_twice 352 :PHDKATNTQ 2nsyA 180 :PLTGLTKRQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35551 Ang CA(49) at 22.522 69.306 49.892 in (null):N-9999 (7) and CB(50) at 22.648 67.9625 50.0204 in (null):N-9999 (7) neighbor-bump: 2.2719 Ang O(25) at 16.759 76.054 43.522 in (null):D-9999 (3) and CB(29) at 18.7311 76.9673 42.8601 in (null):K-9999 (4) neighbor-bump: 2.61393 Ang C(26) at 17.027 74.987 42.943 in (null):D-9999 (3) and CB(29) at 18.7311 76.9673 42.8601 in (null):K-9999 (4) Number of specific fragments= 1 total=2883 # 1ih8A.352.179 read from T0147_twice.t2k.frag # adding 1ih8A to template set 1ih8A:# found chain 1ih8A in template set T0147_twice 352 :PHDKATNTQ 1ih8A 180 :PLTGLTKRQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37521 Ang CA(49) at 22.591 69.332 49.929 in (null):N-9999 (7) and CB(50) at 22.7644 67.9749 50.0681 in (null):N-9999 (7) neighbor-bump: 2.59441 Ang C(26) at 17.05 74.971 42.904 in (null):D-9999 (3) and CB(29) at 18.7084 76.9661 42.9197 in (null):K-9999 (4) neighbor-bump: 2.22609 Ang O(25) at 16.77 76.024 43.477 in (null):D-9999 (3) and CB(29) at 18.7084 76.9661 42.9197 in (null):K-9999 (4) Number of specific fragments= 1 total=2884 # 1a8y.353.209 read from T0147_twice.t2k.frag # found chain 1a8y in template set T0147_twice 353 :HDKATNTQA 1a8y 210 :DKPNSEEEI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3624 Ang CA(42) at 49.827 90.792 112.953 in (null):N-9999 (6) and CB(43) at 50.1578 89.7401 112.153 in (null):N-9999 (6) Number of specific fragments= 1 total=2885 # 1ryp1.353.171 read from T0147_twice.t2k.frag # found chain 1ryp1 in template set T0147_twice 353 :HDKATNTQA 1ryp1 163 :LKYLSVEEV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39587 Ang CA(42) at 88.106 -160.444 21.869 in (null):N-9999 (6) and CB(43) at 87.9621 -161.638 22.5781 in (null):N-9999 (6) Number of specific fragments= 1 total=2886 # 1nsyA.353.180 read from T0147_twice.t2k.frag # found chain 1nsyA in template set T0147_twice 353 :HDKATNTQA 1nsyA 181 :LTGLTKRQG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34931 Ang CA(42) at 22.885 69.611 50.453 in (null):N-9999 (6) and CB(43) at 23.0057 68.2889 50.6939 in (null):N-9999 (6) neighbor-bump: 2.59651 Ang C(19) at 17.341 75.293 43.343 in (null):D-9999 (2) and CB(22) at 18.9959 77.2935 43.31 in (null):K-9999 (3) neighbor-bump: 2.1988 Ang O(18) at 17.06 76.382 43.816 in (null):D-9999 (2) and CB(22) at 18.9959 77.2935 43.31 in (null):K-9999 (3) Number of specific fragments= 1 total=2887 # 1b89A.353.353 read from T0147_twice.t2k.frag # found chain 1b89A in template set T0147_twice 353 :HDKATNTQA 1b89A 1427 :SPRLDHTRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2888 # 2nsyA.353.180 read from T0147_twice.t2k.frag # found chain 2nsyA in template set T0147_twice 353 :HDKATNTQA 2nsyA 181 :LTGLTKRQG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35551 Ang CA(42) at 22.522 69.306 49.892 in (null):N-9999 (6) and CB(43) at 22.648 67.9625 50.0204 in (null):N-9999 (6) neighbor-bump: 2.61393 Ang C(19) at 17.027 74.987 42.943 in (null):D-9999 (2) and CB(22) at 18.7311 76.9673 42.8601 in (null):K-9999 (3) neighbor-bump: 2.2719 Ang O(18) at 16.759 76.054 43.522 in (null):D-9999 (2) and CB(22) at 18.7311 76.9673 42.8601 in (null):K-9999 (3) Number of specific fragments= 1 total=2889 # 1ih8A.353.180 read from T0147_twice.t2k.frag # found chain 1ih8A in template set T0147_twice 353 :HDKATNTQA 1ih8A 181 :LTGLTKRQG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37521 Ang CA(42) at 22.591 69.332 49.929 in (null):N-9999 (6) and CB(43) at 22.7644 67.9749 50.0681 in (null):N-9999 (6) neighbor-bump: 2.5944 Ang C(19) at 17.05 74.971 42.904 in (null):D-9999 (2) and CB(22) at 18.7084 76.9661 42.9197 in (null):K-9999 (3) neighbor-bump: 2.22609 Ang O(18) at 16.77 76.024 43.477 in (null):D-9999 (2) and CB(22) at 18.7084 76.9661 42.9197 in (null):K-9999 (3) Number of specific fragments= 1 total=2890 # 1a8y.354.210 read from T0147_twice.t2k.frag # found chain 1a8y in template set T0147_twice 354 :DKATNTQAM 1a8y 211 :KPNSEEEIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3624 Ang CA(32) at 49.827 90.792 112.953 in (null):N-9999 (5) and CB(33) at 50.1578 89.7401 112.153 in (null):N-9999 (5) Number of specific fragments= 1 total=2891 # 1ryp1.354.172 read from T0147_twice.t2k.frag # found chain 1ryp1 in template set T0147_twice 354 :DKATNTQAM 1ryp1 164 :KYLSVEEVI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39587 Ang CA(32) at 88.106 -160.444 21.869 in (null):N-9999 (5) and CB(33) at 87.9621 -161.638 22.5781 in (null):N-9999 (5) Number of specific fragments= 1 total=2892 # 1nsyA.354.181 read from T0147_twice.t2k.frag # found chain 1nsyA in template set T0147_twice 354 :DKATNTQAM 1nsyA 182 :TGLTKRQGR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34931 Ang CA(32) at 22.885 69.611 50.453 in (null):N-9999 (5) and CB(33) at 23.0057 68.2889 50.6939 in (null):N-9999 (5) neighbor-bump: 2.59651 Ang C(9) at 17.341 75.293 43.343 in (null):D-9999 (1) and CB(12) at 18.996 77.2935 43.31 in (null):K-9999 (2) neighbor-bump: 2.19881 Ang O(8) at 17.06 76.382 43.816 in (null):D-9999 (1) and CB(12) at 18.996 77.2935 43.31 in (null):K-9999 (2) Number of specific fragments= 1 total=2893 # 2nsyA.354.181 read from T0147_twice.t2k.frag # found chain 2nsyA in template set T0147_twice 354 :DKATNTQAM 2nsyA 182 :TGLTKRQGR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35551 Ang CA(32) at 22.522 69.306 49.892 in (null):N-9999 (5) and CB(33) at 22.648 67.9625 50.0204 in (null):N-9999 (5) neighbor-bump: 2.50708 Ang OD1(6) at 17.0204 75.6765 40.0782 in (null):D-9999 (1) and CG(13) at 18.2545 77.3634 41.4627 in (null):K-9999 (2) neighbor-bump: 2.27189 Ang O(8) at 16.759 76.054 43.522 in (null):D-9999 (1) and CB(12) at 18.7311 76.9673 42.8601 in (null):K-9999 (2) neighbor-bump: 2.61392 Ang C(9) at 17.027 74.987 42.943 in (null):D-9999 (1) and CB(12) at 18.7311 76.9673 42.8601 in (null):K-9999 (2) Number of specific fragments= 1 total=2894 # 1ih8A.354.181 read from T0147_twice.t2k.frag # found chain 1ih8A in template set T0147_twice 354 :DKATNTQAM 1ih8A 182 :TGLTKRQGR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37521 Ang CA(32) at 22.591 69.332 49.929 in (null):N-9999 (5) and CB(33) at 22.7644 67.9749 50.0681 in (null):N-9999 (5) neighbor-bump: 2.64469 Ang OD1(6) at 16.9393 75.5749 40.0295 in (null):D-9999 (1) and CG(13) at 18.1835 77.3557 41.5378 in (null):K-9999 (2) neighbor-bump: 2.22609 Ang O(8) at 16.77 76.024 43.477 in (null):D-9999 (1) and CB(12) at 18.7084 76.9661 42.9197 in (null):K-9999 (2) neighbor-bump: 2.5944 Ang C(9) at 17.05 74.971 42.904 in (null):D-9999 (1) and CB(12) at 18.7084 76.9661 42.9197 in (null):K-9999 (2) Number of specific fragments= 1 total=2895 # 1kuuA.354.158 read from T0147_twice.t2k.frag # adding 1kuuA to template set 1kuuA:# found chain 1kuuA in template set T0147_twice 354 :DKATNTQAM 1kuuA 159 :KAGSPEEAA Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30638 Ang NZ(16) at 28.0246 1.49346 17.8147 in (null):K-9999 (2) and N(60) at 29.099 1.521 15.774 in (null):M-9999 (9) other bump:2.65584 Ang NZ(16) at 28.0246 1.49346 17.8147 in (null):K-9999 (2) and C(59) at 28.988 0.201 15.704 in (null):A-9999 (8) other bump:1.81523 Ang CD(14) at 28.2162 -0.843202 18.6503 in (null):K-9999 (2) and CB(57) at 27.137 -0.36 17.273 in (null):A-9999 (8) other bump:2.3167 Ang CE(15) at 28.3442 0.630472 18.9843 in (null):K-9999 (2) and CB(57) at 27.137 -0.36 17.273 in (null):A-9999 (8) other bump:2.12522 Ang NZ(16) at 28.0246 1.49346 17.8147 in (null):K-9999 (2) and CB(57) at 27.137 -0.36 17.273 in (null):A-9999 (8) other bump:3.07812 Ang CG(13) at 28.5771 -1.67581 19.8464 in (null):K-9999 (2) and CA(56) at 28.626 -0.515 16.996 in (null):A-9999 (8) other bump:1.73557 Ang CD(14) at 28.2162 -0.843202 18.6503 in (null):K-9999 (2) and CA(56) at 28.626 -0.515 16.996 in (null):A-9999 (8) other bump:2.31192 Ang CE(15) at 28.3442 0.630472 18.9843 in (null):K-9999 (2) and CA(56) at 28.626 -0.515 16.996 in (null):A-9999 (8) other bump:2.25073 Ang NZ(16) at 28.0246 1.49346 17.8147 in (null):K-9999 (2) and CA(56) at 28.626 -0.515 16.996 in (null):A-9999 (8) other bump:2.5428 Ang CG(13) at 28.5771 -1.67581 19.8464 in (null):K-9999 (2) and N(55) at 29.402 0.001 18.122 in (null):A-9999 (8) other bump:1.54849 Ang CD(14) at 28.2162 -0.843202 18.6503 in (null):K-9999 (2) and N(55) at 29.402 0.001 18.122 in (null):A-9999 (8) other bump:1.5029 Ang CE(15) at 28.3442 0.630472 18.9843 in (null):K-9999 (2) and N(55) at 29.402 0.001 18.122 in (null):A-9999 (8) other bump:2.05405 Ang NZ(16) at 28.0246 1.49346 17.8147 in (null):K-9999 (2) and N(55) at 29.402 0.001 18.122 in (null):A-9999 (8) other bump:3.16388 Ang CG(13) at 28.5771 -1.67581 19.8464 in (null):K-9999 (2) and C(54) at 30.73 -0.087 18.158 in (null):Q-9999 (7) other bump:2.67081 Ang CD(14) at 28.2162 -0.843202 18.6503 in (null):K-9999 (2) and C(54) at 30.73 -0.087 18.158 in (null):Q-9999 (7) other bump:2.62477 Ang CE(15) at 28.3442 0.630472 18.9843 in (null):K-9999 (2) and C(54) at 30.73 -0.087 18.158 in (null):Q-9999 (7) other bump:2.65127 Ang CE(15) at 28.3442 0.630472 18.9843 in (null):K-9999 (2) and C(38) at 27.96 3.236 19.289 in (null):N-9999 (5) other bump:2.28348 Ang NZ(16) at 28.0246 1.49346 17.8147 in (null):K-9999 (2) and C(38) at 27.96 3.236 19.289 in (null):N-9999 (5) other bump:1.46127 Ang NZ(16) at 28.0246 1.49346 17.8147 in (null):K-9999 (2) and O(37) at 28.117 2.922 18.108 in (null):N-9999 (5) other bump:2.83185 Ang CE(15) at 28.3442 0.630472 18.9843 in (null):K-9999 (2) and C(30) at 27.388 1.282 21.569 in (null):T-9999 (4) other bump:2.53064 Ang CG(13) at 28.5771 -1.67581 19.8464 in (null):K-9999 (2) and O(29) at 27.838 0.61 20.642 in (null):T-9999 (4) other bump:2.49437 Ang CD(14) at 28.2162 -0.843202 18.6503 in (null):K-9999 (2) and O(29) at 27.838 0.61 20.642 in (null):T-9999 (4) other bump:1.73337 Ang CE(15) at 28.3442 0.630472 18.9843 in (null):K-9999 (2) and O(29) at 27.838 0.61 20.642 in (null):T-9999 (4) neighbor-bump: 2.54599 Ang O(22) at 27.37 -0.901 25.234 in (null):A-9999 (3) and CG2(27) at 28.9034 1.13085 25.1857 in (null):T-9999 (4) neighbor-bump: 2.94291 Ang C(23) at 27.722 -1.353 24.139 in (null):A-9999 (3) and CG2(27) at 28.9034 1.13085 25.1857 in (null):T-9999 (4) Number of specific fragments= 1 total=2896 # 1a8y.355.211 read from T0147_twice.t2k.frag # found chain 1a8y in template set T0147_twice 355 :KATNTQAMI 1a8y 212 :PNSEEEIVN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3624 Ang CA(24) at 49.827 90.792 112.953 in (null):N-9999 (4) and CB(25) at 50.1578 89.7401 112.153 in (null):N-9999 (4) Number of specific fragments= 1 total=2897 # 1kuuA.355.159 read from T0147_twice.t2k.frag # found chain 1kuuA in template set T0147_twice 355 :KATNTQAMI 1kuuA 160 :AGSPEEAAE Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30638 Ang NZ(8) at 28.0246 1.49346 17.8147 in (null):K-9999 (1) and N(52) at 29.099 1.521 15.774 in (null):M-9999 (8) other bump:2.65584 Ang NZ(8) at 28.0246 1.49346 17.8147 in (null):K-9999 (1) and C(51) at 28.988 0.201 15.704 in (null):A-9999 (7) other bump:1.81522 Ang CD(6) at 28.2162 -0.843199 18.6503 in (null):K-9999 (1) and CB(49) at 27.137 -0.36 17.273 in (null):A-9999 (7) other bump:2.31671 Ang CE(7) at 28.3442 0.630473 18.9843 in (null):K-9999 (1) and CB(49) at 27.137 -0.36 17.273 in (null):A-9999 (7) other bump:2.12522 Ang NZ(8) at 28.0246 1.49346 17.8147 in (null):K-9999 (1) and CB(49) at 27.137 -0.36 17.273 in (null):A-9999 (7) other bump:1.73557 Ang CD(6) at 28.2162 -0.843199 18.6503 in (null):K-9999 (1) and CA(48) at 28.626 -0.515 16.996 in (null):A-9999 (7) other bump:2.31192 Ang CE(7) at 28.3442 0.630473 18.9843 in (null):K-9999 (1) and CA(48) at 28.626 -0.515 16.996 in (null):A-9999 (7) other bump:2.25073 Ang NZ(8) at 28.0246 1.49346 17.8147 in (null):K-9999 (1) and CA(48) at 28.626 -0.515 16.996 in (null):A-9999 (7) other bump:3.07812 Ang CG(5) at 28.5771 -1.67581 19.8464 in (null):K-9999 (1) and CA(48) at 28.626 -0.515 16.996 in (null):A-9999 (7) other bump:1.54848 Ang CD(6) at 28.2162 -0.843199 18.6503 in (null):K-9999 (1) and N(47) at 29.402 0.001 18.122 in (null):A-9999 (7) other bump:1.5029 Ang CE(7) at 28.3442 0.630473 18.9843 in (null):K-9999 (1) and N(47) at 29.402 0.001 18.122 in (null):A-9999 (7) other bump:2.05404 Ang NZ(8) at 28.0246 1.49346 17.8147 in (null):K-9999 (1) and N(47) at 29.402 0.001 18.122 in (null):A-9999 (7) other bump:2.5428 Ang CG(5) at 28.5771 -1.67581 19.8464 in (null):K-9999 (1) and N(47) at 29.402 0.001 18.122 in (null):A-9999 (7) other bump:2.67081 Ang CD(6) at 28.2162 -0.843199 18.6503 in (null):K-9999 (1) and C(46) at 30.73 -0.087 18.158 in (null):Q-9999 (6) other bump:2.62477 Ang CE(7) at 28.3442 0.630473 18.9843 in (null):K-9999 (1) and C(46) at 30.73 -0.087 18.158 in (null):Q-9999 (6) other bump:3.16388 Ang CG(5) at 28.5771 -1.67581 19.8464 in (null):K-9999 (1) and C(46) at 30.73 -0.087 18.158 in (null):Q-9999 (6) other bump:2.65127 Ang CE(7) at 28.3442 0.630473 18.9843 in (null):K-9999 (1) and C(30) at 27.96 3.236 19.289 in (null):N-9999 (4) other bump:2.28348 Ang NZ(8) at 28.0246 1.49346 17.8147 in (null):K-9999 (1) and C(30) at 27.96 3.236 19.289 in (null):N-9999 (4) other bump:1.46127 Ang NZ(8) at 28.0246 1.49346 17.8147 in (null):K-9999 (1) and O(29) at 28.117 2.922 18.108 in (null):N-9999 (4) other bump:2.83186 Ang CE(7) at 28.3442 0.630473 18.9843 in (null):K-9999 (1) and C(22) at 27.388 1.282 21.569 in (null):T-9999 (3) other bump:2.49437 Ang CD(6) at 28.2162 -0.843199 18.6503 in (null):K-9999 (1) and O(21) at 27.838 0.61 20.642 in (null):T-9999 (3) other bump:1.73337 Ang CE(7) at 28.3442 0.630473 18.9843 in (null):K-9999 (1) and O(21) at 27.838 0.61 20.642 in (null):T-9999 (3) other bump:2.53064 Ang CG(5) at 28.5771 -1.67581 19.8464 in (null):K-9999 (1) and O(21) at 27.838 0.61 20.642 in (null):T-9999 (3) neighbor-bump: 2.54599 Ang O(14) at 27.37 -0.901 25.234 in (null):A-9999 (2) and CG2(19) at 28.9034 1.13085 25.1857 in (null):T-9999 (3) neighbor-bump: 2.94291 Ang C(15) at 27.722 -1.353 24.139 in (null):A-9999 (2) and CG2(19) at 28.9034 1.13085 25.1857 in (null):T-9999 (3) Number of specific fragments= 1 total=2898 # 1ryp1.355.173 read from T0147_twice.t2k.frag # found chain 1ryp1 in template set T0147_twice 355 :KATNTQAMI 1ryp1 165 :YLSVEEVIK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39587 Ang CA(24) at 88.106 -160.444 21.869 in (null):N-9999 (4) and CB(25) at 87.9621 -161.638 22.5781 in (null):N-9999 (4) Number of specific fragments= 1 total=2899 # 1nsyA.355.182 read from T0147_twice.t2k.frag # found chain 1nsyA in template set T0147_twice 355 :KATNTQAMI 1nsyA 183 :GLTKRQGRT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34931 Ang CA(24) at 22.885 69.611 50.453 in (null):N-9999 (4) and CB(25) at 23.0057 68.2889 50.6939 in (null):N-9999 (4) Number of specific fragments= 1 total=2900 # 2nsyA.355.182 read from T0147_twice.t2k.frag # found chain 2nsyA in template set T0147_twice 355 :KATNTQAMI 2nsyA 183 :GLTKRQGRT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35551 Ang CA(24) at 22.522 69.306 49.892 in (null):N-9999 (4) and CB(25) at 22.648 67.9625 50.0204 in (null):N-9999 (4) Number of specific fragments= 1 total=2901 # 1ih8A.355.182 read from T0147_twice.t2k.frag # found chain 1ih8A in template set T0147_twice 355 :KATNTQAMI 1ih8A 183 :GLTKRQGRT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37521 Ang CA(24) at 22.591 69.332 49.929 in (null):N-9999 (4) and CB(25) at 22.7644 67.9749 50.0681 in (null):N-9999 (4) Number of specific fragments= 1 total=2902 # 1e5xA.356.362 read from T0147_twice.t2k.frag # adding 1e5xA to template set 1e5xA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1175, because occupancy 0.5 <= existing 0.500001 Skipped atom 1176, because occupancy 0.5 <= existing 0.500001 Skipped atom 1177, because occupancy 0.5 <= existing 0.500001 Skipped atom 1178, because occupancy 0.5 <= existing 0.500001 Skipped atom 1179, because occupancy 0.5 <= existing 0.500001 Skipped atom 1180, because occupancy 0.5 <= existing 0.500001 Skipped atom 1181, because occupancy 0.5 <= existing 0.500001 Skipped atom 1182, because occupancy 0.5 <= existing 0.500001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: OE for alphabet: pdb_atoms Skipped atom 2338, because occupancy 0.5 <= existing 0.500001 Skipped atom 2339, because occupancy 0.5 <= existing 0.500001 Skipped atom 2340, because occupancy 0.5 <= existing 0.500001 Skipped atom 2341, because occupancy 0.5 <= existing 0.500001 Skipped atom 2342, because occupancy 0.5 <= existing 0.500001 Skipped atom 2343, because occupancy 0.5 <= existing 0.500001 Skipped atom 2344, because occupancy 0.5 <= existing 0.500001 Skipped atom 2345, because occupancy 0.5 <= existing 0.500001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # found chain 1e5xA in template set T0147_twice 357 :TNTQAMIA 1e5xA 364 :SIDRAVYA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=2903 # 1kuuA.356.160 read from T0147_twice.t2k.frag # found chain 1kuuA in template set T0147_twice 356 :ATNTQAMIA 1kuuA 161 :GSPEEAAEF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.94291 Ang C(6) at 27.722 -1.353 24.139 in (null):A-9999 (1) and CG2(10) at 28.9034 1.13085 25.1857 in (null):T-9999 (2) neighbor-bump: 2.54599 Ang O(5) at 27.37 -0.901 25.234 in (null):A-9999 (1) and CG2(10) at 28.9034 1.13085 25.1857 in (null):T-9999 (2) Number of specific fragments= 1 total=2904 # 1a8y.356.212 read from T0147_twice.t2k.frag # found chain 1a8y in template set T0147_twice 356 :ATNTQAMIA 1a8y 213 :NSEEEIVNF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3624 Ang CA(15) at 49.827 90.792 112.953 in (null):N-9999 (3) and CB(16) at 50.1578 89.7401 112.153 in (null):N-9999 (3) Number of specific fragments= 1 total=2905 # 1nsyA.356.183 read from T0147_twice.t2k.frag # found chain 1nsyA in template set T0147_twice 356 :ATNTQAMIA 1nsyA 184 :LTKRQGRTL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34931 Ang CA(15) at 22.885 69.611 50.453 in (null):N-9999 (3) and CB(16) at 23.0057 68.2889 50.6939 in (null):N-9999 (3) Number of specific fragments= 1 total=2906 # 1ryp1.356.174 read from T0147_twice.t2k.frag # found chain 1ryp1 in template set T0147_twice 356 :ATNTQAMIA 1ryp1 166 :LSVEEVIKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39587 Ang CA(15) at 88.106 -160.444 21.869 in (null):N-9999 (3) and CB(16) at 87.9621 -161.638 22.5781 in (null):N-9999 (3) Number of specific fragments= 1 total=2907 # 2nsyA.356.183 read from T0147_twice.t2k.frag # found chain 2nsyA in template set T0147_twice 356 :ATNTQAMIA 2nsyA 184 :LTKRQGRTL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35551 Ang CA(15) at 22.522 69.306 49.892 in (null):N-9999 (3) and CB(16) at 22.648 67.9625 50.0204 in (null):N-9999 (3) Number of specific fragments= 1 total=2908 # 1e5xA.357.363 read from T0147_twice.t2k.frag # found chain 1e5xA in template set T0147_twice 357 :TNTQAMIAT 1e5xA 364 :SIDRAVYAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2909 # 1kuuA.357.161 read from T0147_twice.t2k.frag # found chain 1kuuA in template set T0147_twice 357 :TNTQAMIAT 1kuuA 162 :SPEEAAEFI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54599 Ang O(0) at 27.37 -0.901 25.234 in (null):G-9999 (0) and CG2(5) at 28.9034 1.13085 25.1857 in (null):T-9999 (1) neighbor-bump: 2.94291 Ang C(1) at 27.722 -1.353 24.139 in (null):G-9999 (0) and CG2(5) at 28.9034 1.13085 25.1857 in (null):T-9999 (1) Number of specific fragments= 1 total=2910 # 1nsyA.357.184 read from T0147_twice.t2k.frag # found chain 1nsyA in template set T0147_twice 357 :TNTQAMIAT 1nsyA 185 :TKRQGRTLL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34931 Ang CA(10) at 22.885 69.611 50.453 in (null):N-9999 (2) and CB(11) at 23.0057 68.2889 50.6939 in (null):N-9999 (2) Number of specific fragments= 1 total=2911 # 1ryp1.357.175 read from T0147_twice.t2k.frag # found chain 1ryp1 in template set T0147_twice 357 :TNTQAMIAT 1ryp1 167 :SVEEVIKLV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39589 Ang CA(10) at 88.106 -160.444 21.869 in (null):N-9999 (2) and CB(11) at 87.9621 -161.638 22.5781 in (null):N-9999 (2) Number of specific fragments= 1 total=2912 # 2nsyA.357.184 read from T0147_twice.t2k.frag # found chain 2nsyA in template set T0147_twice 357 :TNTQAMIAT 2nsyA 185 :TKRQGRTLL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35551 Ang CA(10) at 22.522 69.306 49.892 in (null):N-9999 (2) and CB(11) at 22.648 67.9625 50.0204 in (null):N-9999 (2) Number of specific fragments= 1 total=2913 # 1ih8A.357.184 read from T0147_twice.t2k.frag # found chain 1ih8A in template set T0147_twice 357 :TNTQAMIAT 1ih8A 185 :TKRQGRTLL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37521 Ang CA(10) at 22.591 69.332 49.929 in (null):N-9999 (2) and CB(11) at 22.7644 67.9749 50.0681 in (null):N-9999 (2) Number of specific fragments= 1 total=2914 # 1e5xA.358.364 read from T0147_twice.t2k.frag # found chain 1e5xA in template set T0147_twice 358 :NTQAMIATI 1e5xA 365 :IDRAVYALK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2915 # 1kuuA.358.162 read from T0147_twice.t2k.frag # found chain 1kuuA in template set T0147_twice 358 :NTQAMIATI 1kuuA 163 :PEEAAEFIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2916 # 1e0tA.358.358 read from T0147_twice.t2k.frag # adding 1e0tA to template set 1e0tA:# found chain 1e0tA in template set T0147_twice 358 :NTQAMIATI 1e0tA 359 :CRGAVETAE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.24583 Ang O(29) at -12.087 14.393 112.441 in (null):A-9999 (4) and OG1(56) at -13.9653 14.1603 111.232 in (null):T-9999 (8) Number of specific fragments= 1 total=2917 # 1nsyA.358.185 read from T0147_twice.t2k.frag # found chain 1nsyA in template set T0147_twice 358 :NTQAMIATI 1nsyA 186 :KRQGRTLLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2918 # 1ih8A.358.185 read from T0147_twice.t2k.frag # found chain 1ih8A in template set T0147_twice 358 :NTQAMIATI 1ih8A 186 :KRQGRTLLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2919 # 2nsyA.358.185 read from T0147_twice.t2k.frag # found chain 2nsyA in template set T0147_twice 358 :NTQAMIATI 2nsyA 186 :KRQGRTLLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2920 # 1e5xA.359.365 read from T0147_twice.t2k.frag # found chain 1e5xA in template set T0147_twice 359 :TQAMIATIA 1e5xA 366 :DRAVYALKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2921 # 1e0tA.359.359 read from T0147_twice.t2k.frag # found chain 1e0tA in template set T0147_twice 359 :TQAMIATIA 1e0tA 360 :RGAVETAEK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.24583 Ang O(21) at -12.087 14.393 112.441 in (null):A-9999 (3) and OG1(48) at -13.9653 14.1603 111.232 in (null):T-9999 (7) Number of specific fragments= 1 total=2922 # 1nsyA.359.186 read from T0147_twice.t2k.frag # found chain 1nsyA in template set T0147_twice 359 :TQAMIATIA 1nsyA 187 :RQGRTLLKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2923 # 1ih8A.359.186 read from T0147_twice.t2k.frag # found chain 1ih8A in template set T0147_twice 359 :TQAMIATIA 1ih8A 187 :RQGRTLLKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2924 # 2nsyA.359.186 read from T0147_twice.t2k.frag # found chain 2nsyA in template set T0147_twice 359 :TQAMIATIA 2nsyA 187 :RQGRTLLKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2925 # 1kuuA.359.163 read from T0147_twice.t2k.frag # found chain 1kuuA in template set T0147_twice 359 :TQAMIATIA 1kuuA 164 :EEAAEFILK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2926 # 1e5xA.360.366 read from T0147_twice.t2k.frag # found chain 1e5xA in template set T0147_twice 360 :QAMIATIAS 1e5xA 367 :RAVYALKKC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2927 # 1e0tA.360.360 read from T0147_twice.t2k.frag # found chain 1e0tA in template set T0147_twice 360 :QAMIATIAS 1e0tA 361 :GAVETAEKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.24583 Ang O(14) at -12.087 14.393 112.441 in (null):A-9999 (2) and OG1(41) at -13.9653 14.1603 111.232 in (null):T-9999 (6) Number of specific fragments= 1 total=2928 # 1ih8A.360.187 read from T0147_twice.t2k.frag # found chain 1ih8A in template set T0147_twice 360 :QAMIATIAS 1ih8A 188 :QGRTLLKEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2929 # 1nsyA.360.187 read from T0147_twice.t2k.frag # found chain 1nsyA in template set T0147_twice 360 :QAMIATIAS 1nsyA 188 :QGRTLLKEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2930 # 2nsyA.360.187 read from T0147_twice.t2k.frag # found chain 2nsyA in template set T0147_twice 360 :QAMIATIAS 2nsyA 188 :QGRTLLKEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2931 # 1kuuA.360.164 read from T0147_twice.t2k.frag # found chain 1kuuA in template set T0147_twice 360 :QAMIATIAS 1kuuA 165 :EAAEFILKG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.98627 Ang CA(33) at 32.478 -2.228 14.041 in (null):A-9999 (5) and OG(60) at 34.1094 -3.25125 14.5276 in (null):S-9999 (9) other bump:2.49795 Ang CB(34) at 31.649 -3.142 14.945 in (null):A-9999 (5) and OG(60) at 34.1094 -3.25125 14.5276 in (null):S-9999 (9) other bump:2.69604 Ang O(35) at 32.594 -3.048 11.794 in (null):A-9999 (5) and CB(59) at 34.0236 -4.36188 13.6645 in (null):S-9999 (9) other bump:2.66158 Ang CA(33) at 32.478 -2.228 14.041 in (null):A-9999 (5) and CB(59) at 34.0236 -4.36188 13.6645 in (null):S-9999 (9) other bump:2.96082 Ang CB(34) at 31.649 -3.142 14.945 in (null):A-9999 (5) and CB(59) at 34.0236 -4.36188 13.6645 in (null):S-9999 (9) other bump:3.0549 Ang C(36) at 31.977 -2.356 12.606 in (null):A-9999 (5) and CB(59) at 34.0236 -4.36188 13.6645 in (null):S-9999 (9) Number of specific fragments= 1 total=2932 # 1e5xA.361.367 read from T0147_twice.t2k.frag # found chain 1e5xA in template set T0147_twice 361 :AMIATIASG 1e5xA 368 :AVYALKKCN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2933 # 1e0tA.361.361 read from T0147_twice.t2k.frag # found chain 1e0tA in template set T0147_twice 361 :AMIATIASG 1e0tA 362 :AVETAEKLD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.24583 Ang O(5) at -12.087 14.393 112.441 in (null):A-9999 (1) and OG1(32) at -13.9653 14.1603 111.232 in (null):T-9999 (5) Number of specific fragments= 1 total=2934 # 1hrkA.361.253 read from T0147_twice.t2k.frag # adding 1hrkA to template set 1hrkA:# found chain 1hrkA in template set T0147_twice 361 :AMIATIASG 1hrkA 318 :SIKGLCERG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2935 # 2phlA.361.364 read from T0147_twice.t2k.frag # adding 2phlA to template set 2phlA:# found chain 2phlA in template set T0147_twice 361 :AMIATIASG 2phlA 365 :VMKLINKQS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43446 Ang O(13) at 19.373 -8.621 95.094 in (null):M-9999 (2) and CD1(40) at 17.4603 -10.1244 95.0059 in (null):I-9999 (6) Number of specific fragments= 1 total=2936 # 1ih8A.361.188 read from T0147_twice.t2k.frag # found chain 1ih8A in template set T0147_twice 361 :AMIATIASG 1ih8A 189 :GRTLLKELG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2937 # 1lam.361.362 read from T0147_twice.t2k.frag # adding 1lam to template set 1lam:Skipped atom 2205, because occupancy 0.5 <= existing 0.500001 Skipped atom 2207, because occupancy 0.5 <= existing 0.500001 Skipped atom 2209, because occupancy 0.5 <= existing 0.500001 Skipped atom 2211, because occupancy 0.5 <= existing 0.500001 Skipped atom 2596, because occupancy 0.5 <= existing 0.500001 Skipped atom 2598, because occupancy 0.5 <= existing 0.500001 # found chain 1lam in template set T0147_twice 361 :AMIATIASG 1lam 363 :AMDIALGSG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.26358 Ang CA(44) at 57.616 60.441 28.457 in (null):A-9999 (7) and CB(45) at 56.798 59.5624 28.8513 in (null):A-9999 (7) other bump:2.5603 Ang CE(12) at 63.167 63.976 25.936 in (null):M-9999 (2) and CD1(40) at 62.754 65.5846 27.8846 in (null):I-9999 (6) Number of specific fragments= 1 total=2938 # 1e5xA.362.368 read from T0147_twice.t2k.frag # found chain 1e5xA in template set T0147_twice 362 :MIATIASGN 1e5xA 369 :VYALKKCNG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20206 Ang CA(24) at -16.354 17.574 42.836 in (null):T-9999 (4) and OD1(58) at -17.139 19.5471 42.2531 in (null):N-9999 (9) other bump:1.64389 Ang CB(25) at -17.7939 18.1052 42.694 in (null):T-9999 (4) and OD1(58) at -17.139 19.5471 42.2531 in (null):N-9999 (9) other bump:2.51876 Ang C(29) at -15.569 18.397 43.852 in (null):T-9999 (4) and OD1(58) at -17.139 19.5471 42.2531 in (null):N-9999 (9) other bump:0.670942 Ang CG2(26) at -17.8074 19.5711 42.3068 in (null):T-9999 (4) and OD1(58) at -17.139 19.5471 42.2531 in (null):N-9999 (9) other bump:1.84754 Ang OG1(27) at -18.4285 17.3334 41.6375 in (null):T-9999 (4) and ND2(57) at -16.5866 17.4543 41.7148 in (null):N-9999 (9) other bump:1.15132 Ang CA(24) at -16.354 17.574 42.836 in (null):T-9999 (4) and ND2(57) at -16.5866 17.4543 41.7148 in (null):N-9999 (9) other bump:1.68528 Ang CB(25) at -17.7939 18.1052 42.694 in (null):T-9999 (4) and ND2(57) at -16.5866 17.4543 41.7148 in (null):N-9999 (9) other bump:2.90384 Ang C(22) at -15.316 15.459 43.399 in (null):A-9999 (3) and ND2(57) at -16.5866 17.4543 41.7148 in (null):N-9999 (9) other bump:1.98476 Ang N(23) at -16.422 16.17 43.219 in (null):T-9999 (4) and ND2(57) at -16.5866 17.4543 41.7148 in (null):N-9999 (9) other bump:2.54789 Ang C(29) at -15.569 18.397 43.852 in (null):T-9999 (4) and ND2(57) at -16.5866 17.4543 41.7148 in (null):N-9999 (9) other bump:2.51427 Ang CG2(26) at -17.8074 19.5711 42.3068 in (null):T-9999 (4) and ND2(57) at -16.5866 17.4543 41.7148 in (null):N-9999 (9) other bump:2.43774 Ang OG1(27) at -18.4285 17.3334 41.6375 in (null):T-9999 (4) and CG(56) at -16.4456 18.7435 41.4885 in (null):N-9999 (9) other bump:1.78658 Ang CA(24) at -16.354 17.574 42.836 in (null):T-9999 (4) and CG(56) at -16.4456 18.7435 41.4885 in (null):N-9999 (9) other bump:1.91798 Ang CB(25) at -17.7939 18.1052 42.694 in (null):T-9999 (4) and CG(56) at -16.4456 18.7435 41.4885 in (null):N-9999 (9) other bump:3.1013 Ang N(23) at -16.422 16.17 43.219 in (null):T-9999 (4) and CG(56) at -16.4456 18.7435 41.4885 in (null):N-9999 (9) other bump:2.54454 Ang C(29) at -15.569 18.397 43.852 in (null):T-9999 (4) and CG(56) at -16.4456 18.7435 41.4885 in (null):N-9999 (9) other bump:1.79137 Ang CG2(26) at -17.8074 19.5711 42.3068 in (null):T-9999 (4) and CG(56) at -16.4456 18.7435 41.4885 in (null):N-9999 (9) other bump:3.05577 Ang CA(24) at -16.354 17.574 42.836 in (null):T-9999 (4) and CB(55) at -15.5732 19.289 40.4304 in (null):N-9999 (9) Number of specific fragments= 1 total=2939 # 1e0tA.362.362 read from T0147_twice.t2k.frag # found chain 1e0tA in template set T0147_twice 362 :MIATIASGN 1e0tA 363 :VETAEKLDA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.13277 Ang OG(46) at -17.2952 11.246 114.837 in (null):S-9999 (7) and ND2(57) at -17.302 12.3953 113.04 in (null):N-9999 (9) other bump:2.86904 Ang CA(24) at -14.565 12.159 112.213 in (null):T-9999 (4) and ND2(57) at -17.302 12.3953 113.04 in (null):N-9999 (9) other bump:2.85725 Ang CG2(26) at -15.3532 12.6388 109.967 in (null):T-9999 (4) and CB(55) at -18.0816 12.4099 110.784 in (null):N-9999 (9) other bump:2.24583 Ang O(0) at -12.087 14.393 112.441 in (null):G-9999 (0) and OG1(27) at -13.9653 14.1603 111.232 in (null):T-9999 (4) Number of specific fragments= 1 total=2940 # 1hrkA.362.254 read from T0147_twice.t2k.frag # found chain 1hrkA in template set T0147_twice 362 :MIATIASGN 1hrkA 319 :IKGLCERGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59807 Ang CG2(26) at -18.2221 -7.53073 -2.37788 in (null):T-9999 (4) and O(59) at -20.806 -7.582 -2.112 in (null):N-9999 (9) other bump:2.73054 Ang CG2(26) at -18.2221 -7.53073 -2.37788 in (null):T-9999 (4) and CB(55) at -19.1985 -9.54453 -0.813546 in (null):N-9999 (9) Number of specific fragments= 1 total=2941 # 2phlA.362.365 read from T0147_twice.t2k.frag # found chain 2phlA in template set T0147_twice 362 :MIATIASGN 2phlA 366 :MKLINKQSG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43446 Ang O(8) at 19.373 -8.621 95.094 in (null):M-9999 (1) and CD1(35) at 17.4603 -10.1244 95.0059 in (null):I-9999 (5) Number of specific fragments= 1 total=2942 # 1ih8A.362.189 read from T0147_twice.t2k.frag # found chain 1ih8A in template set T0147_twice 362 :MIATIASGN 1ih8A 190 :RTLLKELGA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04474 Ang CG2(26) at 15.4556 70.4174 58.4271 in (null):T-9999 (4) and OD1(58) at 13.7595 71.5282 58.6921 in (null):N-9999 (9) other bump:2.5789 Ang CA(24) at 15.736 72.772 57.598 in (null):T-9999 (4) and OD1(58) at 13.7595 71.5282 58.6921 in (null):N-9999 (9) other bump:2.71838 Ang CB(25) at 16.1545 71.3143 57.424 in (null):T-9999 (4) and OD1(58) at 13.7595 71.5282 58.6921 in (null):N-9999 (9) other bump:2.87201 Ang C(29) at 16.023 73.266 59.016 in (null):T-9999 (4) and OD1(58) at 13.7595 71.5282 58.6921 in (null):N-9999 (9) other bump:2.63613 Ang CG2(26) at 15.4556 70.4174 58.4271 in (null):T-9999 (4) and CG(56) at 13.0696 70.8252 59.4711 in (null):N-9999 (9) other bump:2.75089 Ang CG2(26) at 15.4556 70.4174 58.4271 in (null):T-9999 (4) and CB(55) at 13.7514 70.0071 60.5471 in (null):N-9999 (9) Number of specific fragments= 1 total=2943 # 1lam.362.363 read from T0147_twice.t2k.frag # found chain 1lam in template set T0147_twice 362 :MIATIASGN 1lam 364 :MDIALGSGA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.26358 Ang CA(39) at 57.616 60.441 28.457 in (null):A-9999 (6) and CB(40) at 56.798 59.5624 28.8513 in (null):A-9999 (6) other bump:2.5603 Ang CE(7) at 63.167 63.976 25.936 in (null):M-9999 (1) and CD1(35) at 62.754 65.5846 27.8846 in (null):I-9999 (5) Number of specific fragments= 1 total=2944 # 1e5xA.363.369 read from T0147_twice.t2k.frag # found chain 1e5xA in template set T0147_twice 363 :IATIASGNV 1e5xA 370 :YALKKCNGI Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32791 Ang OG(38) at -12.7334 17.2494 40.7928 in (null):S-9999 (6) and OD1(50) at -14.797 17.7766 39.8531 in (null):N-9999 (8) other bump:2.59892 Ang C(14) at -15.316 15.459 43.399 in (null):A-9999 (2) and ND2(49) at -14.999 17.6813 42.0893 in (null):N-9999 (8) other bump:2.36331 Ang N(15) at -16.422 16.17 43.219 in (null):T-9999 (3) and ND2(49) at -14.999 17.6813 42.0893 in (null):N-9999 (8) other bump:1.55087 Ang CA(16) at -16.354 17.574 42.836 in (null):T-9999 (3) and ND2(49) at -14.999 17.6813 42.0893 in (null):N-9999 (8) other bump:1.98604 Ang C(21) at -15.569 18.397 43.852 in (null):T-9999 (3) and ND2(49) at -14.999 17.6813 42.0893 in (null):N-9999 (8) other bump:2.31986 Ang CA(16) at -16.354 17.574 42.836 in (null):T-9999 (3) and CG(48) at -15.2437 18.2339 40.9089 in (null):N-9999 (8) other bump:3.11553 Ang CB(17) at -17.7939 18.1052 42.694 in (null):T-9999 (3) and CG(48) at -15.2437 18.2339 40.9089 in (null):N-9999 (8) other bump:2.96547 Ang C(21) at -15.569 18.397 43.852 in (null):T-9999 (3) and CG(48) at -15.2437 18.2339 40.9089 in (null):N-9999 (8) other bump:2.71897 Ang CA(16) at -16.354 17.574 42.836 in (null):T-9999 (3) and CB(47) at -16.0942 19.4829 40.9173 in (null):N-9999 (8) other bump:2.81847 Ang CB(17) at -17.7939 18.1052 42.694 in (null):T-9999 (3) and CB(47) at -16.0942 19.4829 40.9173 in (null):N-9999 (8) other bump:2.20755 Ang CG2(18) at -17.8074 19.5711 42.3068 in (null):T-9999 (3) and CB(47) at -16.0942 19.4829 40.9173 in (null):N-9999 (8) other bump:3.17291 Ang C(21) at -15.569 18.397 43.852 in (null):T-9999 (3) and CB(47) at -16.0942 19.4829 40.9173 in (null):N-9999 (8) Number of specific fragments= 1 total=2945 # 1e0tA.363.363 read from T0147_twice.t2k.frag # found chain 1e0tA in template set T0147_twice 363 :IATIASGNV 1e0tA 364 :ETAEKLDAP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2398 Ang OD1(50) at -18.7965 13.9135 109.21 in (null):N-9999 (8) and N(60) at -19.28 13.681 107.035 in (null):G-9999 (10) Number of specific fragments= 1 total=2946 # 1hrkA.363.255 read from T0147_twice.t2k.frag # found chain 1hrkA in template set T0147_twice 363 :IATIASGNV 1hrkA 320 :KGLCERGRK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59807 Ang CG2(18) at -18.2221 -7.53073 -2.37788 in (null):T-9999 (3) and O(51) at -20.806 -7.582 -2.112 in (null):N-9999 (8) other bump:2.24549 Ang CG2(18) at -18.2221 -7.53073 -2.37788 in (null):T-9999 (3) and CB(47) at -19.034 -9.43527 -1.50851 in (null):N-9999 (8) Number of specific fragments= 1 total=2947 # 1ass.363.65 read from T0147_twice.t2k.frag # adding 1ass to template set 1ass:# found chain 1ass in template set T0147_twice 363 :IATIASGNV 1ass 66 :EKIKKSGAN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.93507 Ang OG(38) at 30.732 4.885 33.795 in (null):S-9999 (6) and ND2(49) at 31.6303 4.79757 35.5067 in (null):N-9999 (8) Number of specific fragments= 1 total=2948 # 1b65A.363.365 read from T0147_twice.t2k.frag # adding 1b65A to template set 1b65A:# found chain 1b65A in template set T0147_twice 363 :IATIASGNV 1b65A 366 :AVLRQYGRL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70995 Ang C(21) at 63.428 62.78 27.915 in (null):T-9999 (3) and CG2(57) at 64.784 62.8117 30.2611 in (null):V-9999 (9) other bump:2.32241 Ang N(22) at 64.617 63.366 28.012 in (null):I-9999 (4) and CG2(57) at 64.784 62.8117 30.2611 in (null):V-9999 (9) other bump:2.63865 Ang CA(23) at 64.728 64.755 28.477 in (null):I-9999 (4) and CG2(57) at 64.784 62.8117 30.2611 in (null):V-9999 (9) other bump:2.58689 Ang CG1(25) at 66.8499 64.2977 29.7966 in (null):I-9999 (4) and CG2(57) at 64.784 62.8117 30.2611 in (null):V-9999 (9) other bump:3.12838 Ang CG1(25) at 66.8499 64.2977 29.7966 in (null):I-9999 (4) and CG1(56) at 66.0211 62.8704 32.4541 in (null):V-9999 (9) other bump:2.92022 Ang CG2(18) at 62.7062 60.464 29.6312 in (null):T-9999 (3) and C(52) at 61.294 61.995 31.678 in (null):N-9999 (8) other bump:2.71586 Ang CG2(18) at 62.7062 60.464 29.6312 in (null):T-9999 (3) and O(51) at 61.329 60.798 31.948 in (null):N-9999 (8) Number of specific fragments= 1 total=2949 # 1lam.363.364 read from T0147_twice.t2k.frag # found chain 1lam in template set T0147_twice 363 :IATIASGNV 1lam 365 :DIALGSGAT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.26358 Ang CA(31) at 57.616 60.441 28.457 in (null):A-9999 (5) and CB(32) at 56.798 59.5624 28.8513 in (null):A-9999 (5) Number of specific fragments= 1 total=2950 # 1e5xA.364.370 read from T0147_twice.t2k.frag # found chain 1e5xA in template set T0147_twice 364 :ATIASGNVH 1e5xA 371 :ALKKCNGIV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32791 Ang OG(30) at -12.7334 17.2494 40.7928 in (null):S-9999 (5) and OD1(42) at -14.797 17.7766 39.8531 in (null):N-9999 (7) other bump:2.59892 Ang C(6) at -15.316 15.459 43.399 in (null):A-9999 (1) and ND2(41) at -14.999 17.6813 42.0893 in (null):N-9999 (7) other bump:2.36331 Ang N(7) at -16.422 16.17 43.219 in (null):T-9999 (2) and ND2(41) at -14.999 17.6813 42.0893 in (null):N-9999 (7) other bump:1.55087 Ang CA(8) at -16.354 17.574 42.836 in (null):T-9999 (2) and ND2(41) at -14.999 17.6813 42.0893 in (null):N-9999 (7) other bump:1.98604 Ang C(13) at -15.569 18.397 43.852 in (null):T-9999 (2) and ND2(41) at -14.999 17.6813 42.0893 in (null):N-9999 (7) other bump:2.31986 Ang CA(8) at -16.354 17.574 42.836 in (null):T-9999 (2) and CG(40) at -15.2437 18.2339 40.9089 in (null):N-9999 (7) other bump:3.11553 Ang CB(9) at -17.7939 18.1052 42.694 in (null):T-9999 (2) and CG(40) at -15.2437 18.2339 40.9089 in (null):N-9999 (7) other bump:2.96547 Ang C(13) at -15.569 18.397 43.852 in (null):T-9999 (2) and CG(40) at -15.2437 18.2339 40.9089 in (null):N-9999 (7) other bump:2.71897 Ang CA(8) at -16.354 17.574 42.836 in (null):T-9999 (2) and CB(39) at -16.0942 19.4829 40.9173 in (null):N-9999 (7) other bump:2.81847 Ang CB(9) at -17.7939 18.1052 42.694 in (null):T-9999 (2) and CB(39) at -16.0942 19.4829 40.9173 in (null):N-9999 (7) other bump:2.20755 Ang CG2(10) at -17.8074 19.5711 42.3068 in (null):T-9999 (2) and CB(39) at -16.0942 19.4829 40.9173 in (null):N-9999 (7) other bump:3.17291 Ang C(13) at -15.569 18.397 43.852 in (null):T-9999 (2) and CB(39) at -16.0942 19.4829 40.9173 in (null):N-9999 (7) Number of specific fragments= 1 total=2951 # 1e0tA.364.364 read from T0147_twice.t2k.frag # found chain 1e0tA in template set T0147_twice 364 :ATIASGNVH 1e0tA 365 :TAEKLDAPL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74545 Ang OD1(42) at -18.7965 13.9135 109.21 in (null):N-9999 (7) and C(61) at -17.924 15.736 107.351 in (null):H-9999 (9) other bump:2.04803 Ang OD1(42) at -18.7965 13.9135 109.21 in (null):N-9999 (7) and O(60) at -18.14 15.736 108.545 in (null):H-9999 (9) other bump:2.64418 Ang CG(40) at -18.305 13.7937 110.332 in (null):N-9999 (7) and O(60) at -18.14 15.736 108.545 in (null):H-9999 (9) other bump:2.2398 Ang OD1(42) at -18.7965 13.9135 109.21 in (null):N-9999 (7) and N(52) at -19.28 13.681 107.035 in (null):H-9999 (9) Number of specific fragments= 1 total=2952 # 1hrkA.364.256 read from T0147_twice.t2k.frag # found chain 1hrkA in template set T0147_twice 364 :ATIASGNVH 1hrkA 321 :GLCERGRKN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59807 Ang CG2(10) at -18.2221 -7.53073 -2.37788 in (null):T-9999 (2) and O(43) at -20.806 -7.582 -2.112 in (null):N-9999 (7) other bump:2.24549 Ang CG2(10) at -18.2221 -7.53073 -2.37788 in (null):T-9999 (2) and CB(39) at -19.034 -9.43527 -1.50851 in (null):N-9999 (7) Number of specific fragments= 1 total=2953 # 1ass.364.66 read from T0147_twice.t2k.frag # found chain 1ass in template set T0147_twice 364 :ATIASGNVH 1ass 67 :KIKKSGANV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.93507 Ang OG(30) at 30.732 4.885 33.795 in (null):S-9999 (5) and ND2(41) at 31.6303 4.79757 35.5067 in (null):N-9999 (7) Number of specific fragments= 1 total=2954 # 2dpmA.364.227 read from T0147_twice.t2k.frag # adding 2dpmA to template set 2dpmA:# found chain 2dpmA in template set T0147_twice 364 :ATIASGNVH 2dpmA 228 :RLSDTGAYV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21489 Ang CB(9) at 16.4879 47.2015 58.8358 in (null):T-9999 (2) and NE2(59) at 16.7081 46.2537 60.8256 in (null):H-9999 (9) other bump:1.38595 Ang CG2(10) at 15.6772 46.5932 59.9636 in (null):T-9999 (2) and NE2(59) at 16.7081 46.2537 60.8256 in (null):H-9999 (9) other bump:2.38251 Ang CB(9) at 16.4879 47.2015 58.8358 in (null):T-9999 (2) and CE1(58) at 16.5505 45.1764 60.0894 in (null):H-9999 (9) other bump:1.66911 Ang CG2(10) at 15.6772 46.5932 59.9636 in (null):T-9999 (2) and CE1(58) at 16.5505 45.1764 60.0894 in (null):H-9999 (9) other bump:2.9676 Ang CG2(10) at 15.6772 46.5932 59.9636 in (null):T-9999 (2) and ND1(57) at 17.4756 44.2821 60.4444 in (null):H-9999 (9) other bump:2.75975 Ang CG2(10) at 15.6772 46.5932 59.9636 in (null):T-9999 (2) and CD2(56) at 17.7667 46.0646 61.6872 in (null):H-9999 (9) Number of specific fragments= 1 total=2955 # 1lam.364.365 read from T0147_twice.t2k.frag # found chain 1lam in template set T0147_twice 364 :ATIASGNVH 1lam 366 :IALGSGATG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.26358 Ang CA(23) at 57.616 60.441 28.457 in (null):A-9999 (4) and CB(24) at 56.798 59.5624 28.8513 in (null):A-9999 (4) Number of specific fragments= 1 total=2956 # 1e5xA.365.371 read from T0147_twice.t2k.frag # found chain 1e5xA in template set T0147_twice 365 :TIASGNVHI 1e5xA 372 :LKKCNGIVE Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32791 Ang OG(25) at -12.7334 17.2494 40.7928 in (null):S-9999 (4) and OD1(37) at -14.797 17.7766 39.8531 in (null):N-9999 (6) other bump:2.59892 Ang C(1) at -15.316 15.459 43.399 in (null):G-9999 (0) and ND2(36) at -14.999 17.6813 42.0893 in (null):N-9999 (6) other bump:2.36331 Ang N(2) at -16.422 16.17 43.219 in (null):T-9999 (1) and ND2(36) at -14.999 17.6813 42.0893 in (null):N-9999 (6) other bump:1.55087 Ang CA(3) at -16.354 17.574 42.836 in (null):T-9999 (1) and ND2(36) at -14.999 17.6813 42.0893 in (null):N-9999 (6) other bump:1.98604 Ang C(8) at -15.569 18.397 43.852 in (null):T-9999 (1) and ND2(36) at -14.999 17.6813 42.0893 in (null):N-9999 (6) other bump:2.31986 Ang CA(3) at -16.354 17.574 42.836 in (null):T-9999 (1) and CG(35) at -15.2437 18.2339 40.9089 in (null):N-9999 (6) other bump:3.11554 Ang CB(4) at -17.7939 18.1052 42.6941 in (null):T-9999 (1) and CG(35) at -15.2437 18.2339 40.9089 in (null):N-9999 (6) other bump:2.96547 Ang C(8) at -15.569 18.397 43.852 in (null):T-9999 (1) and CG(35) at -15.2437 18.2339 40.9089 in (null):N-9999 (6) other bump:2.71897 Ang CA(3) at -16.354 17.574 42.836 in (null):T-9999 (1) and CB(34) at -16.0942 19.4829 40.9173 in (null):N-9999 (6) other bump:2.81847 Ang CB(4) at -17.7939 18.1052 42.6941 in (null):T-9999 (1) and CB(34) at -16.0942 19.4829 40.9173 in (null):N-9999 (6) other bump:3.17291 Ang C(8) at -15.569 18.397 43.852 in (null):T-9999 (1) and CB(34) at -16.0942 19.4829 40.9173 in (null):N-9999 (6) other bump:2.20756 Ang CG2(5) at -17.8074 19.5711 42.3068 in (null):T-9999 (1) and CB(34) at -16.0942 19.4829 40.9173 in (null):N-9999 (6) Number of specific fragments= 1 total=2957 # 1e0tA.365.365 read from T0147_twice.t2k.frag # found chain 1e0tA in template set T0147_twice 365 :TIASGNVHI 1e0tA 366 :AEKLDAPLI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74545 Ang OD1(37) at -18.7965 13.9135 109.21 in (null):N-9999 (6) and C(56) at -17.924 15.736 107.351 in (null):H-9999 (8) other bump:2.04803 Ang OD1(37) at -18.7965 13.9135 109.21 in (null):N-9999 (6) and O(55) at -18.14 15.736 108.545 in (null):H-9999 (8) other bump:2.64418 Ang CG(35) at -18.305 13.7937 110.332 in (null):N-9999 (6) and O(55) at -18.14 15.736 108.545 in (null):H-9999 (8) other bump:2.2398 Ang OD1(37) at -18.7965 13.9135 109.21 in (null):N-9999 (6) and N(47) at -19.28 13.681 107.035 in (null):H-9999 (8) Number of specific fragments= 1 total=2958 # 1qlwA.365.193 read from T0147_twice.t2k.frag # adding 1qlwA to template set 1qlwA:Skipped atom 484, because occupancy 0.49 <= existing 0.510001 # found chain 1qlwA in template set T0147_twice 365 :TIASGNVHI 1qlwA 194 :AIKLDGTVL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62847 Ang OG(25) at 32.1621 16.4361 30.0007 in (null):S-9999 (4) and CG1(43) at 34.2071 14.8004 30.2284 in (null):V-9999 (7) Number of specific fragments= 1 total=2959 # 1hrkA.365.257 read from T0147_twice.t2k.frag # found chain 1hrkA in template set T0147_twice 365 :TIASGNVHI 1hrkA 322 :LCERGRKNI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59806 Ang CG2(5) at -18.2221 -7.53072 -2.37788 in (null):T-9999 (1) and O(38) at -20.806 -7.582 -2.112 in (null):N-9999 (6) other bump:2.24549 Ang CG2(5) at -18.2221 -7.53072 -2.37788 in (null):T-9999 (1) and CB(34) at -19.034 -9.43527 -1.50851 in (null):N-9999 (6) Number of specific fragments= 1 total=2960 # 1ass.365.67 read from T0147_twice.t2k.frag # found chain 1ass in template set T0147_twice 365 :TIASGNVHI 1ass 68 :IKKSGANVV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65976 Ang CG2(5) at 29.0292 6.44966 38.0731 in (null):T-9999 (1) and CD1(62) at 28.715 7.39784 40.5381 in (null):I-9999 (9) other bump:2.96278 Ang CG2(5) at 29.0292 6.44966 38.0731 in (null):T-9999 (1) and CG1(60) at 30.1377 6.88574 40.7858 in (null):I-9999 (9) neighbor-bump: 3.23734 Ang CG2(44) at 30.7539 -1.30572 40.953 in (null):V-9999 (7) and ND1(52) at 31.9075 -0.0706873 43.7142 in (null):H-9999 (8) other bump:1.93507 Ang OG(25) at 30.732 4.885 33.795 in (null):S-9999 (4) and ND2(36) at 31.6303 4.79757 35.5067 in (null):N-9999 (6) Number of specific fragments= 1 total=2961 # 2dpmA.365.228 read from T0147_twice.t2k.frag # found chain 2dpmA in template set T0147_twice 365 :TIASGNVHI 2dpmA 229 :LSDTGAYVM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2962 # 1e5xA.366.372 read from T0147_twice.t2k.frag # found chain 1e5xA in template set T0147_twice 366 :IASGNVHII 1e5xA 373 :KKCNGIVEE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32791 Ang OG(18) at -12.7334 17.2494 40.7928 in (null):S-9999 (3) and OD1(30) at -14.797 17.7766 39.8531 in (null):N-9999 (5) other bump:1.98604 Ang C(1) at -15.569 18.397 43.852 in (null):G-9999 (0) and ND2(29) at -14.999 17.6813 42.0893 in (null):N-9999 (5) other bump:2.96547 Ang C(1) at -15.569 18.397 43.852 in (null):G-9999 (0) and CG(28) at -15.2437 18.2339 40.9089 in (null):N-9999 (5) other bump:3.17291 Ang C(1) at -15.569 18.397 43.852 in (null):G-9999 (0) and CB(27) at -16.0942 19.4829 40.9173 in (null):N-9999 (5) Number of specific fragments= 1 total=2963 # 1e0tA.366.366 read from T0147_twice.t2k.frag # found chain 1e0tA in template set T0147_twice 366 :IASGNVHII 1e0tA 367 :EKLDAPLIV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74545 Ang OD1(30) at -18.7965 13.9135 109.21 in (null):N-9999 (5) and C(49) at -17.924 15.736 107.351 in (null):H-9999 (7) other bump:2.04803 Ang OD1(30) at -18.7965 13.9135 109.21 in (null):N-9999 (5) and O(48) at -18.14 15.736 108.545 in (null):H-9999 (7) other bump:2.64418 Ang CG(28) at -18.305 13.7937 110.332 in (null):N-9999 (5) and O(48) at -18.14 15.736 108.545 in (null):H-9999 (7) other bump:2.2398 Ang OD1(30) at -18.7965 13.9135 109.21 in (null):N-9999 (5) and N(40) at -19.28 13.681 107.035 in (null):H-9999 (7) Number of specific fragments= 1 total=2964 # 1qlwA.366.194 read from T0147_twice.t2k.frag # found chain 1qlwA in template set T0147_twice 366 :IASGNVHII 1qlwA 195 :IKLDGTVLL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62847 Ang OG(18) at 32.1621 16.4361 30.0007 in (null):S-9999 (3) and CG1(36) at 34.2071 14.8004 30.2284 in (null):V-9999 (6) Number of specific fragments= 1 total=2965 # 1ass.366.68 read from T0147_twice.t2k.frag # found chain 1ass in template set T0147_twice 366 :IASGNVHII 1ass 69 :KKSGANVVL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.23734 Ang CG2(37) at 30.7539 -1.30572 40.953 in (null):V-9999 (6) and ND1(45) at 31.9075 -0.0706873 43.7142 in (null):H-9999 (7) other bump:1.93507 Ang OG(18) at 30.732 4.885 33.795 in (null):S-9999 (3) and ND2(29) at 31.6303 4.79757 35.5067 in (null):N-9999 (5) Number of specific fragments= 1 total=2966 # 1i0dA.366.210 read from T0147_twice.t2k.frag # found chain 1i0dA in template set T0147_twice 366 :IASGNVHII 1i0dA 244 :AARGYLIGL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01365 Ang CD2(44) at 51.2039 8.21284 32.3729 in (null):H-9999 (7) and CG1(61) at 49.6757 6.92919 34.631 in (null):I-9999 (9) other bump:3.1241 Ang NE2(47) at 52.0681 7.17781 32.6374 in (null):H-9999 (7) and CG1(61) at 49.6757 6.92919 34.631 in (null):I-9999 (9) Number of specific fragments= 1 total=2967 # 1eywA.366.209 read from T0147_twice.t2k.frag # found chain 1eywA in template set T0147_twice 366 :IASGNVHII 1eywA 244 :AARGYLIGL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03091 Ang CD2(44) at 52.4489 19.7803 21.1233 in (null):H-9999 (7) and CG1(61) at 50.9596 20.9837 18.7737 in (null):I-9999 (9) other bump:3.12616 Ang NE2(47) at 53.3046 20.8159 20.8343 in (null):H-9999 (7) and CG1(61) at 50.9596 20.9837 18.7737 in (null):I-9999 (9) Number of specific fragments= 1 total=2968 # 1e0tA.367.367 read from T0147_twice.t2k.frag # found chain 1e0tA in template set T0147_twice 367 :ASGNVHIIS 1e0tA 368 :KLDAPLIVV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74545 Ang OD1(22) at -18.7965 13.9135 109.21 in (null):N-9999 (4) and C(41) at -17.924 15.736 107.351 in (null):H-9999 (6) other bump:2.64418 Ang CG(20) at -18.305 13.7937 110.332 in (null):N-9999 (4) and O(40) at -18.14 15.736 108.545 in (null):H-9999 (6) other bump:2.04803 Ang OD1(22) at -18.7965 13.9135 109.21 in (null):N-9999 (4) and O(40) at -18.14 15.736 108.545 in (null):H-9999 (6) other bump:2.2398 Ang OD1(22) at -18.7965 13.9135 109.21 in (null):N-9999 (4) and N(32) at -19.28 13.681 107.035 in (null):H-9999 (6) Number of specific fragments= 1 total=2969 # 1e5xA.367.373 read from T0147_twice.t2k.frag # found chain 1e5xA in template set T0147_twice 367 :ASGNVHIIS 1e5xA 374 :KCNGIVEEA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32791 Ang OG(10) at -12.7334 17.2494 40.7928 in (null):S-9999 (2) and OD1(22) at -14.797 17.7766 39.8531 in (null):N-9999 (4) Number of specific fragments= 1 total=2970 # 1qlwA.367.195 read from T0147_twice.t2k.frag # found chain 1qlwA in template set T0147_twice 367 :ASGNVHIIS 1qlwA 196 :KLDGTVLLS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92049 Ang CD2(36) at 42.3134 11.338 28.8858 in (null):H-9999 (6) and CD1(55) at 42.1676 8.56382 27.9849 in (null):I-9999 (8) other bump:2.71866 Ang CD2(36) at 42.3134 11.338 28.8858 in (null):H-9999 (6) and CG1(53) at 42.1168 9.54231 26.8541 in (null):I-9999 (8) other bump:2.75474 Ang NE2(39) at 43.5183 11.4681 28.2382 in (null):H-9999 (6) and CG1(53) at 42.1168 9.54231 26.8541 in (null):I-9999 (8) other bump:2.62847 Ang OG(10) at 32.1621 16.4361 30.0007 in (null):S-9999 (2) and CG1(28) at 34.2071 14.8004 30.2284 in (null):V-9999 (5) Number of specific fragments= 1 total=2971 # 1pymA.367.180 read from T0147_twice.t2k.frag # found chain 1pymA in template set T0147_twice 367 :ASGNVHIIS 1pymA 181 :NAGADAILM Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.24398 Ang OD1(22) at 16.7799 75.8153 66.4193 in (null):N-9999 (4) and C(41) at 16.719 73.584 66.189 in (null):H-9999 (6) other bump:2.36371 Ang CG(20) at 16.9329 76.9878 66.8506 in (null):N-9999 (4) and O(40) at 17.18 74.645 66.657 in (null):H-9999 (6) other bump:1.25944 Ang OD1(22) at 16.7799 75.8153 66.4193 in (null):N-9999 (4) and O(40) at 17.18 74.645 66.657 in (null):H-9999 (6) Number of specific fragments= 1 total=2972 # 1i0dA.367.211 read from T0147_twice.t2k.frag # found chain 1i0dA in template set T0147_twice 367 :ASGNVHIIS 1i0dA 245 :ARGYLIGLD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01365 Ang CD2(36) at 51.2039 8.21284 32.3729 in (null):H-9999 (6) and CG1(53) at 49.6756 6.92919 34.631 in (null):I-9999 (8) other bump:3.1241 Ang NE2(39) at 52.0681 7.17781 32.6374 in (null):H-9999 (6) and CG1(53) at 49.6756 6.92919 34.631 in (null):I-9999 (8) Number of specific fragments= 1 total=2973 # 1eywA.367.210 read from T0147_twice.t2k.frag # found chain 1eywA in template set T0147_twice 367 :ASGNVHIIS 1eywA 245 :ARGYLIGLD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03091 Ang CD2(36) at 52.4489 19.7803 21.1233 in (null):H-9999 (6) and CG1(53) at 50.9596 20.9837 18.7737 in (null):I-9999 (8) other bump:3.12616 Ang NE2(39) at 53.3046 20.8159 20.8343 in (null):H-9999 (6) and CG1(53) at 50.9596 20.9837 18.7737 in (null):I-9999 (8) Number of specific fragments= 1 total=2974 # 1pymA.368.181 read from T0147_twice.t2k.frag # found chain 1pymA in template set T0147_twice 368 :SGNVHIISH 1pymA 182 :AGADAILMH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.24398 Ang OD1(17) at 16.7799 75.8153 66.4193 in (null):N-9999 (3) and C(36) at 16.719 73.584 66.189 in (null):H-9999 (5) other bump:1.25944 Ang OD1(17) at 16.7799 75.8153 66.4193 in (null):N-9999 (3) and O(35) at 17.18 74.645 66.657 in (null):H-9999 (5) other bump:2.36371 Ang CG(15) at 16.9329 76.9878 66.8506 in (null):N-9999 (3) and O(35) at 17.18 74.645 66.657 in (null):H-9999 (5) Number of specific fragments= 1 total=2975 # 1e0tA.368.368 read from T0147_twice.t2k.frag # found chain 1e0tA in template set T0147_twice 368 :SGNVHIISH 1e0tA 369 :LDAPLIVVA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74545 Ang OD1(17) at -18.7965 13.9135 109.21 in (null):N-9999 (3) and C(36) at -17.924 15.736 107.351 in (null):H-9999 (5) other bump:2.64418 Ang CG(15) at -18.305 13.7937 110.332 in (null):N-9999 (3) and O(35) at -18.14 15.736 108.545 in (null):H-9999 (5) other bump:2.04803 Ang OD1(17) at -18.7965 13.9135 109.21 in (null):N-9999 (3) and O(35) at -18.14 15.736 108.545 in (null):H-9999 (5) other bump:2.2398 Ang OD1(17) at -18.7965 13.9135 109.21 in (null):N-9999 (3) and N(27) at -19.28 13.681 107.035 in (null):H-9999 (5) Number of specific fragments= 1 total=2976 # 1qlwA.368.196 read from T0147_twice.t2k.frag # found chain 1qlwA in template set T0147_twice 368 :SGNVHIISH 1qlwA 197 :LDGTVLLSH Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92049 Ang CD2(31) at 42.3134 11.338 28.8858 in (null):H-9999 (5) and CD1(50) at 42.1676 8.56382 27.9849 in (null):I-9999 (7) other bump:2.71866 Ang CD2(31) at 42.3134 11.338 28.8858 in (null):H-9999 (5) and CG1(48) at 42.1168 9.54231 26.8541 in (null):I-9999 (7) other bump:2.75474 Ang NE2(34) at 43.5183 11.4681 28.2382 in (null):H-9999 (5) and CG1(48) at 42.1168 9.54231 26.8541 in (null):I-9999 (7) other bump:2.62848 Ang OG(5) at 32.1621 16.4361 30.0007 in (null):S-9999 (1) and CG1(23) at 34.2071 14.8004 30.2284 in (null):V-9999 (4) Number of specific fragments= 1 total=2977 # 1e5xA.368.374 read from T0147_twice.t2k.frag # found chain 1e5xA in template set T0147_twice 368 :SGNVHIISH 1e5xA 375 :CNGIVEEAT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.8316 Ang CD2(63) at -35.3522 24.1463 27.9456 in (null):H-9999 (9) and N(69) at -33.942 21.744 28.454 in (null):G-9999 (10) other bump:2.32791 Ang OG(5) at -12.7334 17.2494 40.7928 in (null):S-9999 (1) and OD1(17) at -14.797 17.7766 39.8531 in (null):N-9999 (3) Number of specific fragments= 1 total=2978 # 1hzyA.368.212 read from T0147_twice.t2k.frag # found chain 1hzyA in template set T0147_twice 368 :SGNVHIISH 1hzyA 246 :RGYLIGLDH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.90413 Ang CG2(41) at 45.9154 3.76255 30.1605 in (null):I-9999 (6) and OG(56) at 45.5349 2.63756 31.6489 in (null):S-9999 (8) other bump:2.91784 Ang CD2(31) at 51.2371 8.01066 32.3309 in (null):H-9999 (5) and CG1(48) at 49.7077 6.85964 34.5332 in (null):I-9999 (7) other bump:3.08493 Ang NE2(34) at 52.0866 6.95777 32.5715 in (null):H-9999 (5) and CG1(48) at 49.7077 6.85964 34.5332 in (null):I-9999 (7) Number of specific fragments= 1 total=2979 # 1pscA.368.245 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 368 :SGNVHIISH 1pscA 246 :RGYLIGLDH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04318 Ang CG2(41) at 46.1649 4.41311 30.4908 in (null):I-9999 (6) and OG(56) at 45.7583 3.29429 32.1514 in (null):S-9999 (8) other bump:3.08047 Ang CD2(31) at 51.363 8.79013 32.675 in (null):H-9999 (5) and CG1(48) at 49.8129 7.42613 34.9611 in (null):I-9999 (7) Number of specific fragments= 1 total=2980 # 1pymA.369.182 read from T0147_twice.t2k.frag # found chain 1pymA in template set T0147_twice 369 :GNVHIISHP 1pymA 183 :GADAILMHS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.37727 Ang O(61) at 18.407 66.711 76.942 in (null):H-9999 (8) and CD(67) at 19.4729 65.1287 75.5237 in (null):P-9999 (9) neighbor-bump: 1.64173 Ang C(62) at 19.472 66.522 76.392 in (null):H-9999 (8) and CD(67) at 19.4729 65.1287 75.5237 in (null):P-9999 (9) neighbor-bump: 2.3244 Ang CA(54) at 19.939 67.385 75.216 in (null):H-9999 (8) and CD(67) at 19.4729 65.1287 75.5237 in (null):P-9999 (9) other bump:2.24398 Ang OD1(11) at 16.7799 75.8153 66.4193 in (null):N-9999 (2) and C(30) at 16.719 73.584 66.189 in (null):H-9999 (4) other bump:2.36371 Ang CG(9) at 16.9329 76.9878 66.8506 in (null):N-9999 (2) and O(29) at 17.18 74.645 66.657 in (null):H-9999 (4) other bump:1.25944 Ang OD1(11) at 16.7799 75.8153 66.4193 in (null):N-9999 (2) and O(29) at 17.18 74.645 66.657 in (null):H-9999 (4) Number of specific fragments= 1 total=2981 # 1qlwA.369.197 read from T0147_twice.t2k.frag # found chain 1qlwA in template set T0147_twice 369 :GNVHIISHP 1qlwA 198 :DGTVLLSHS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.29126 Ang CG(56) at 43.477 4.369 18.198 in (null):H-9999 (8) and CD(67) at 44.5238 5.36643 16.4206 in (null):P-9999 (9) neighbor-bump: 2.13473 Ang CD2(57) at 44.812 4.16 18.158 in (null):H-9999 (8) and CD(67) at 44.5238 5.36643 16.4206 in (null):P-9999 (9) neighbor-bump: 2.13277 Ang C(62) at 43.36 7.108 16.822 in (null):H-9999 (8) and CD(67) at 44.5238 5.36643 16.4206 in (null):P-9999 (9) self-bump: 1.31489 Ang CA(64) at 44.693 7.021 14.779 in (null):P-9999 (9) and CB(65) at 44.9245 5.89703 14.1371 in (null):P-9999 (9) other bump:2.92049 Ang CD2(25) at 42.3134 11.338 28.8858 in (null):H-9999 (4) and CD1(44) at 42.1676 8.56382 27.9849 in (null):I-9999 (6) other bump:2.71866 Ang CD2(25) at 42.3134 11.338 28.8858 in (null):H-9999 (4) and CG1(42) at 42.1168 9.54231 26.8541 in (null):I-9999 (6) other bump:2.75474 Ang NE2(28) at 43.5183 11.4681 28.2382 in (null):H-9999 (4) and CG1(42) at 42.1168 9.54231 26.8541 in (null):I-9999 (6) Number of specific fragments= 1 total=2982 # 1pscA.369.246 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 369 :GNVHIISHP 1pscA 247 :GYLIGLDHI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.29969 Ang CA(48) at 46.477 2.216 34.389 in (null):S-9999 (7) and CD(67) at 46.6279 1.68906 37.6428 in (null):P-9999 (9) other bump:2.71953 Ang C(52) at 46.82 0.942 35.035 in (null):S-9999 (7) and CD(67) at 46.6279 1.68906 37.6428 in (null):P-9999 (9) neighbor-bump: 2.38129 Ang N(53) at 47.933 0.926 35.803 in (null):H-9999 (8) and CD(67) at 46.6279 1.68906 37.6428 in (null):P-9999 (9) other bump:2.04318 Ang CG2(35) at 46.1649 4.41311 30.4908 in (null):I-9999 (5) and OG(50) at 45.7583 3.29429 32.1514 in (null):S-9999 (7) other bump:3.08047 Ang CD2(25) at 51.363 8.79013 32.675 in (null):H-9999 (4) and CG1(42) at 49.8129 7.42613 34.9611 in (null):I-9999 (6) Number of specific fragments= 1 total=2983 # 1hzyA.369.213 read from T0147_twice.t2k.frag # found chain 1hzyA in template set T0147_twice 369 :GNVHIISHP 1hzyA 247 :GYLIGLDHI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.90413 Ang CG2(35) at 45.9154 3.76255 30.1605 in (null):I-9999 (5) and OG(50) at 45.5349 2.63756 31.6489 in (null):S-9999 (7) other bump:3.08493 Ang NE2(28) at 52.0866 6.95777 32.5715 in (null):H-9999 (4) and CG1(42) at 49.7077 6.85964 34.5332 in (null):I-9999 (6) other bump:2.91784 Ang CD2(25) at 51.2371 8.01066 32.3309 in (null):H-9999 (4) and CG1(42) at 49.7077 6.85964 34.5332 in (null):I-9999 (6) Number of specific fragments= 1 total=2984 # 1e0tA.369.369 read from T0147_twice.t2k.frag # found chain 1e0tA in template set T0147_twice 369 :GNVHIISHP 1e0tA 370 :DAPLIVVAT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.07115 Ang C(62) at -12.841 27.516 105.969 in (null):H-9999 (8) and CD(67) at -13.4224 26.7333 104.142 in (null):P-9999 (9) other bump:2.74545 Ang OD1(11) at -18.7965 13.9135 109.21 in (null):N-9999 (2) and C(30) at -17.924 15.736 107.351 in (null):H-9999 (4) other bump:2.04803 Ang OD1(11) at -18.7965 13.9135 109.21 in (null):N-9999 (2) and O(29) at -18.14 15.736 108.545 in (null):H-9999 (4) other bump:2.64418 Ang CG(9) at -18.305 13.7937 110.332 in (null):N-9999 (2) and O(29) at -18.14 15.736 108.545 in (null):H-9999 (4) other bump:2.2398 Ang OD1(11) at -18.7965 13.9135 109.21 in (null):N-9999 (2) and N(21) at -19.28 13.681 107.035 in (null):H-9999 (4) Number of specific fragments= 1 total=2985 # 1e19A.369.288 read from T0147_twice.t2k.frag # found chain 1e19A in template set T0147_twice 369 :GNVHIIS 1e19A 289 :GERAIIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 1 total=2986 # 1pymA.370.183 read from T0147_twice.t2k.frag # found chain 1pymA in template set T0147_twice 370 :NVHIISHPG 1pymA 184 :ADAILMHSK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.3244 Ang CA(50) at 19.939 67.385 75.216 in (null):H-9999 (7) and CD(63) at 19.4729 65.1287 75.5237 in (null):P-9999 (8) neighbor-bump: 2.37728 Ang O(57) at 18.407 66.711 76.942 in (null):H-9999 (7) and CD(63) at 19.4729 65.1287 75.5237 in (null):P-9999 (8) neighbor-bump: 1.64173 Ang C(58) at 19.472 66.522 76.392 in (null):H-9999 (7) and CD(63) at 19.4729 65.1287 75.5237 in (null):P-9999 (8) other bump:2.24399 Ang OD1(7) at 16.7799 75.8153 66.4193 in (null):N-9999 (1) and C(26) at 16.719 73.584 66.189 in (null):H-9999 (3) other bump:1.25944 Ang OD1(7) at 16.7799 75.8153 66.4193 in (null):N-9999 (1) and O(25) at 17.18 74.645 66.657 in (null):H-9999 (3) other bump:2.36371 Ang CG(5) at 16.9329 76.9878 66.8506 in (null):N-9999 (1) and O(25) at 17.18 74.645 66.657 in (null):H-9999 (3) Number of specific fragments= 1 total=2987 # 1qlwA.370.198 read from T0147_twice.t2k.frag # found chain 1qlwA in template set T0147_twice 370 :NVHIISHPG 1qlwA 199 :GTVLLSHSQ Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.29126 Ang CG(52) at 43.477 4.369 18.198 in (null):H-9999 (7) and CD(63) at 44.5238 5.36643 16.4206 in (null):P-9999 (8) neighbor-bump: 2.13473 Ang CD2(53) at 44.812 4.16 18.158 in (null):H-9999 (7) and CD(63) at 44.5238 5.36643 16.4206 in (null):P-9999 (8) neighbor-bump: 2.13277 Ang C(58) at 43.36 7.108 16.822 in (null):H-9999 (7) and CD(63) at 44.5238 5.36643 16.4206 in (null):P-9999 (8) self-bump: 1.3149 Ang CA(60) at 44.693 7.021 14.779 in (null):P-9999 (8) and CB(61) at 44.9245 5.89703 14.1371 in (null):P-9999 (8) other bump:2.92049 Ang CD2(21) at 42.3134 11.338 28.8858 in (null):H-9999 (3) and CD1(40) at 42.1676 8.56382 27.9849 in (null):I-9999 (5) other bump:2.71866 Ang CD2(21) at 42.3134 11.338 28.8858 in (null):H-9999 (3) and CG1(38) at 42.1168 9.54231 26.8541 in (null):I-9999 (5) other bump:2.75474 Ang NE2(24) at 43.5183 11.4681 28.2382 in (null):H-9999 (3) and CG1(38) at 42.1168 9.54231 26.8541 in (null):I-9999 (5) Number of specific fragments= 1 total=2988 # 1e19A.370.289 read from T0147_twice.t2k.frag # found chain 1e19A in template set T0147_twice 370 :NVHIIS 1e19A 290 :ERAIIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0147_twice 378 :G 1e19A 298 :E Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 2 total=2990 Number of alignments=78 # 1hzyA.370.214 read from T0147_twice.t2k.frag # found chain 1hzyA in template set T0147_twice 370 :NVHIISHPG 1hzyA 248 :YLIGLDHIP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81268 Ang C(48) at 46.514 0.434 34.67 in (null):S-9999 (6) and CD(63) at 46.3655 1.2939 37.3439 in (null):P-9999 (8) neighbor-bump: 2.56449 Ang N(49) at 47.673 0.369 35.341 in (null):H-9999 (7) and CD(63) at 46.3655 1.2939 37.3439 in (null):P-9999 (8) other bump:1.90413 Ang CG2(31) at 45.9154 3.76255 30.1605 in (null):I-9999 (4) and OG(46) at 45.5349 2.63756 31.6489 in (null):S-9999 (6) other bump:2.91784 Ang CD2(21) at 51.2371 8.01066 32.3309 in (null):H-9999 (3) and CG1(38) at 49.7077 6.85964 34.5332 in (null):I-9999 (5) other bump:3.08493 Ang NE2(24) at 52.0866 6.95777 32.5715 in (null):H-9999 (3) and CG1(38) at 49.7077 6.85964 34.5332 in (null):I-9999 (5) Number of specific fragments= 1 total=2991 # 1pscA.370.247 read from T0147_twice.t2k.frag # found chain 1pscA in template set T0147_twice 370 :NVHIISHPG 1pscA 248 :YLIGLDHIP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.29969 Ang CA(44) at 46.477 2.216 34.389 in (null):S-9999 (6) and CD(63) at 46.6279 1.68906 37.6428 in (null):P-9999 (8) other bump:2.71953 Ang C(48) at 46.82 0.942 35.035 in (null):S-9999 (6) and CD(63) at 46.6279 1.68906 37.6428 in (null):P-9999 (8) neighbor-bump: 2.38129 Ang N(49) at 47.933 0.926 35.803 in (null):H-9999 (7) and CD(63) at 46.6279 1.68906 37.6428 in (null):P-9999 (8) other bump:2.04318 Ang CG2(31) at 46.1649 4.41311 30.4908 in (null):I-9999 (4) and OG(46) at 45.7583 3.29429 32.1514 in (null):S-9999 (6) other bump:3.08048 Ang CD2(21) at 51.363 8.79013 32.675 in (null):H-9999 (3) and CG1(38) at 49.8129 7.42613 34.9611 in (null):I-9999 (5) Number of specific fragments= 1 total=2992 # 1jx2B.370.169 read from T0147_twice.t2k.frag # adding 1jx2B to template set 1jx2B:# found chain 1jx2B in template set T0147_twice 370 :NVHIISHPG 1jx2B 171 :AIIVAVTPA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2607 Ang CG2(39) at -102.334 -12.4579 18.8941 in (null):I-9999 (5) and NE2(56) at -104.218 -11.7874 17.8401 in (null):H-9999 (7) other bump:2.83627 Ang CG2(39) at -102.334 -12.4579 18.8941 in (null):I-9999 (5) and CD2(53) at -103.693 -10.7971 17.0391 in (null):H-9999 (7) other bump:2.45989 Ang CG(20) at -98.5308 -15.1997 21.8134 in (null):H-9999 (3) and CD1(40) at -100.422 -14.2031 20.5967 in (null):I-9999 (5) other bump:1.31233 Ang CD2(21) at -99.5151 -14.314 21.5386 in (null):H-9999 (3) and CD1(40) at -100.422 -14.2031 20.5967 in (null):I-9999 (5) other bump:2.70925 Ang ND1(22) at -98.7746 -16.3094 21.0315 in (null):H-9999 (3) and CD1(40) at -100.422 -14.2031 20.5967 in (null):I-9999 (5) other bump:2.00341 Ang CE1(23) at -99.8591 -16.1047 20.3132 in (null):H-9999 (3) and CD1(40) at -100.422 -14.2031 20.5967 in (null):I-9999 (5) other bump:0.70902 Ang NE2(24) at -100.326 -14.9056 20.6006 in (null):H-9999 (3) and CD1(40) at -100.422 -14.2031 20.5967 in (null):I-9999 (5) other bump:2.12253 Ang CD2(21) at -99.5151 -14.314 21.5386 in (null):H-9999 (3) and CG1(38) at -100.507 -12.6898 20.5988 in (null):I-9999 (5) other bump:2.22312 Ang NE2(24) at -100.326 -14.9056 20.6006 in (null):H-9999 (3) and CG1(38) at -100.507 -12.6898 20.5988 in (null):I-9999 (5) Number of specific fragments= 1 total=2993 # 1pymA.371.184 read from T0147_twice.t2k.frag # found chain 1pymA in template set T0147_twice 371 :VHIISHPGN 1pymA 185 :DAILMHSKK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.3244 Ang CA(42) at 19.939 67.385 75.216 in (null):H-9999 (6) and CD(55) at 19.4729 65.1287 75.5237 in (null):P-9999 (7) neighbor-bump: 2.37728 Ang O(49) at 18.407 66.711 76.942 in (null):H-9999 (6) and CD(55) at 19.4729 65.1287 75.5237 in (null):P-9999 (7) neighbor-bump: 1.64173 Ang C(50) at 19.472 66.522 76.392 in (null):H-9999 (6) and CD(55) at 19.4729 65.1287 75.5237 in (null):P-9999 (7) Number of specific fragments= 1 total=2994 # 1qlwA.371.199 read from T0147_twice.t2k.frag # found chain 1qlwA in template set T0147_twice 371 :VHIISHPGN 1qlwA 200 :TVLLSHSQS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.29126 Ang CG(44) at 43.477 4.369 18.198 in (null):H-9999 (6) and CD(55) at 44.5238 5.36643 16.4206 in (null):P-9999 (7) neighbor-bump: 2.13473 Ang CD2(45) at 44.812 4.16 18.158 in (null):H-9999 (6) and CD(55) at 44.5238 5.36643 16.4206 in (null):P-9999 (7) neighbor-bump: 2.13277 Ang C(50) at 43.36 7.108 16.822 in (null):H-9999 (6) and CD(55) at 44.5238 5.36643 16.4206 in (null):P-9999 (7) self-bump: 1.3149 Ang CA(52) at 44.693 7.021 14.779 in (null):P-9999 (7) and CB(53) at 44.9245 5.89703 14.1371 in (null):P-9999 (7) other bump:2.92049 Ang CD2(13) at 42.3134 11.338 28.8858 in (null):H-9999 (2) and CD1(32) at 42.1676 8.56382 27.9849 in (null):I-9999 (4) other bump:2.75474 Ang NE2(16) at 43.5183 11.4681 28.2382 in (null):H-9999 (2) and CG1(30) at 42.1168 9.54231 26.8541 in (null):I-9999 (4) other bump:2.71865 Ang CD2(13) at 42.3134 11.338 28.8858 in (null):H-9999 (2) and CG1(30) at 42.1168 9.54231 26.8541 in (null):I-9999 (4) Number of specific fragments= 1 total=2995 # 1jx2B.371.170 read from T0147_twice.t2k.frag # found chain 1jx2B in template set T0147_twice 371 :VHIISHPGN 1jx2B 172 :IIVAVTPAN Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2607 Ang CG2(31) at -102.334 -12.4579 18.8941 in (null):I-9999 (4) and NE2(48) at -104.218 -11.7874 17.8401 in (null):H-9999 (6) other bump:2.83627 Ang CG2(31) at -102.334 -12.4579 18.8941 in (null):I-9999 (4) and CD2(45) at -103.693 -10.7971 17.0391 in (null):H-9999 (6) other bump:1.31233 Ang CD2(13) at -99.5151 -14.314 21.5386 in (null):H-9999 (2) and CD1(32) at -100.422 -14.2031 20.5967 in (null):I-9999 (4) other bump:2.00341 Ang CE1(15) at -99.8591 -16.1047 20.3132 in (null):H-9999 (2) and CD1(32) at -100.422 -14.2031 20.5967 in (null):I-9999 (4) other bump:0.70902 Ang NE2(16) at -100.326 -14.9056 20.6006 in (null):H-9999 (2) and CD1(32) at -100.422 -14.2031 20.5967 in (null):I-9999 (4) other bump:2.45989 Ang CG(12) at -98.5308 -15.1997 21.8134 in (null):H-9999 (2) and CD1(32) at -100.422 -14.2031 20.5967 in (null):I-9999 (4) other bump:2.70925 Ang ND1(14) at -98.7746 -16.3094 21.0315 in (null):H-9999 (2) and CD1(32) at -100.422 -14.2031 20.5967 in (null):I-9999 (4) other bump:2.12253 Ang CD2(13) at -99.5151 -14.314 21.5386 in (null):H-9999 (2) and CG1(30) at -100.507 -12.6898 20.5988 in (null):I-9999 (4) other bump:2.22312 Ang NE2(16) at -100.326 -14.9056 20.6006 in (null):H-9999 (2) and CG1(30) at -100.507 -12.6898 20.5988 in (null):I-9999 (4) Number of specific fragments= 1 total=2996 # 1e19A.371.290 read from T0147_twice.t2k.frag # found chain 1e19A in template set T0147_twice 371 :VHIIS 1e19A 291 :RAIIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0147_twice 378 :GN 1e19A 298 :EK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 2 total=2998 Number of alignments=79 # 2plc.371.210 read from T0147_twice.t2k.frag # found chain 2plc in training set T0147_twice 371 :VHIISHPGN 2plc 231 :KLFLNHISA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72528 Ang ND1(14) at 29.7757 33.2532 14.5851 in (null):H-9999 (2) and CD1(32) at 30.1211 32.2772 17.1061 in (null):I-9999 (4) other bump:2.73505 Ang CE1(15) at 29.4746 34.2799 15.3592 in (null):H-9999 (2) and CD1(32) at 30.1211 32.2772 17.1061 in (null):I-9999 (4) Number of specific fragments= 1 total=2999 # 1ej2A.371.116 read from T0147_twice.t2k.frag # adding 1ej2A to template set 1ej2A:# found chain 1ej2A in template set T0147_twice 371 :VHIISHPGN 1ej2A 117 :YEVTAPPLF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3000 # 1pymA.372.185 read from T0147_twice.t2k.frag # found chain 1pymA in template set T0147_twice 372 :HIISHPGNP 1pymA 186 :AILMHSKKA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.37728 Ang O(42) at 18.407 66.711 76.942 in (null):H-9999 (5) and CD(48) at 19.4729 65.1287 75.5237 in (null):P-9999 (6) neighbor-bump: 1.64173 Ang C(43) at 19.472 66.522 76.392 in (null):H-9999 (5) and CD(48) at 19.4729 65.1287 75.5237 in (null):P-9999 (6) neighbor-bump: 2.3244 Ang CA(35) at 19.939 67.385 75.216 in (null):H-9999 (5) and CD(48) at 19.4729 65.1287 75.5237 in (null):P-9999 (6) Number of specific fragments= 1 total=3001 # 1jx2B.372.171 read from T0147_twice.t2k.frag # found chain 1jx2B in template set T0147_twice 372 :HIISHPGNP 1jx2B 173 :IVAVTPANT Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.18068 Ang N(55) at -107.734 -5.333 9.244 in (null):N-9999 (8) and CD(67) at -109.476 -6.57508 9.66402 in (null):P-9999 (9) neighbor-bump: 1.6801 Ang CA(56) at -109.105 -5.2 8.773 in (null):N-9999 (8) and CD(67) at -109.476 -6.57508 9.66402 in (null):P-9999 (9) neighbor-bump: 2.6073 Ang CB(57) at -109.183 -5.554 7.283 in (null):N-9999 (8) and CD(67) at -109.476 -6.57508 9.66402 in (null):P-9999 (9) neighbor-bump: 2.32198 Ang ND2(59) at -108.259 -7.675 8.021 in (null):N-9999 (8) and CD(67) at -109.476 -6.57508 9.66402 in (null):P-9999 (9) neighbor-bump: 1.61657 Ang O(61) at -110.947 -6.727 9.01 in (null):N-9999 (8) and CD(67) at -109.476 -6.57508 9.66402 in (null):P-9999 (9) neighbor-bump: 0.769483 Ang C(62) at -110.06 -6.082 9.572 in (null):N-9999 (8) and CD(67) at -109.476 -6.57508 9.66402 in (null):P-9999 (9) self-bump: 1.36969 Ang N(63) at -109.875 -6.107 10.888 in (null):P-9999 (9) and CD(67) at -109.476 -6.57508 9.66402 in (null):P-9999 (9) neighbor-bump: 3.10846 Ang CA(56) at -109.105 -5.2 8.773 in (null):N-9999 (8) and CG(66) at -109.877 -8.03288 9.79357 in (null):P-9999 (9) neighbor-bump: 2.42641 Ang ND2(59) at -108.259 -7.675 8.021 in (null):N-9999 (8) and CG(66) at -109.877 -8.03288 9.79357 in (null):P-9999 (9) neighbor-bump: 1.86133 Ang O(61) at -110.947 -6.727 9.01 in (null):N-9999 (8) and CG(66) at -109.877 -8.03288 9.79357 in (null):P-9999 (9) neighbor-bump: 1.97195 Ang C(62) at -110.06 -6.082 9.572 in (null):N-9999 (8) and CG(66) at -109.877 -8.03288 9.79357 in (null):P-9999 (9) self-bump: 2.21513 Ang N(63) at -109.875 -6.107 10.888 in (null):P-9999 (9) and CG(66) at -109.877 -8.03288 9.79357 in (null):P-9999 (9) other bump:2.2607 Ang CG2(24) at -102.334 -12.4579 18.8941 in (null):I-9999 (3) and NE2(41) at -104.218 -11.7874 17.8401 in (null):H-9999 (5) other bump:2.83627 Ang CG2(24) at -102.334 -12.4579 18.8941 in (null):I-9999 (3) and CD2(38) at -103.693 -10.7971 17.0391 in (null):H-9999 (5) other bump:2.4599 Ang CG(5) at -98.5308 -15.1998 21.8134 in (null):H-9999 (1) and CD1(25) at -100.422 -14.2031 20.5967 in (null):I-9999 (3) other bump:1.31232 Ang CD2(6) at -99.5151 -14.314 21.5386 in (null):H-9999 (1) and CD1(25) at -100.422 -14.2031 20.5967 in (null):I-9999 (3) other bump:2.70926 Ang ND1(7) at -98.7746 -16.3094 21.0315 in (null):H-9999 (1) and CD1(25) at -100.422 -14.2031 20.5967 in (null):I-9999 (3) other bump:2.00343 Ang CE1(8) at -99.8591 -16.1047 20.3132 in (null):H-9999 (1) and CD1(25) at -100.422 -14.2031 20.5967 in (null):I-9999 (3) other bump:0.709036 Ang NE2(9) at -100.326 -14.9056 20.6006 in (null):H-9999 (1) and CD1(25) at -100.422 -14.2031 20.5967 in (null):I-9999 (3) other bump:2.12253 Ang CD2(6) at -99.5151 -14.314 21.5386 in (null):H-9999 (1) and CG1(23) at -100.507 -12.6898 20.5988 in (null):I-9999 (3) other bump:2.22314 Ang NE2(9) at -100.326 -14.9056 20.6006 in (null):H-9999 (1) and CG1(23) at -100.507 -12.6898 20.5988 in (null):I-9999 (3) Number of specific fragments= 1 total=3002 # 1ej2A.372.117 read from T0147_twice.t2k.frag # found chain 1ej2A in template set T0147_twice 372 :HIISHPGNP 1ej2A 118 :EVTAPPLFY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.85968 Ang OD1(60) at 15.8137 15.0129 52.5301 in (null):N-9999 (8) and CD(67) at 17.2278 15.5336 53.6198 in (null):P-9999 (9) neighbor-bump: 1.78968 Ang C(62) at 17.979 16.918 52.77 in (null):N-9999 (8) and CD(67) at 17.2278 15.5336 53.6198 in (null):P-9999 (9) neighbor-bump: 2.42973 Ang O(61) at 19.003 16.468 52.249 in (null):N-9999 (8) and CD(67) at 17.2278 15.5336 53.6198 in (null):P-9999 (9) self-bump: 2.22641 Ang CA(64) at 18.754 16.34 55.026 in (null):P-9999 (9) and CD(67) at 17.2278 15.5336 53.6198 in (null):P-9999 (9) Number of specific fragments= 1 total=3003 # 1qlwA.372.200 read from T0147_twice.t2k.frag # found chain 1qlwA in template set T0147_twice 372 :HIISHPGNP 1qlwA 201 :VLLSHSQSG Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.3575 Ang N(55) at 41.084 9.314 14.502 in (null):N-9999 (8) and CD(67) at 43.3505 9.69162 15.0295 in (null):P-9999 (9) other bump:2.99955 Ang CA(45) at 44.693 7.021 14.779 in (null):P-9999 (6) and CD(67) at 43.3505 9.69162 15.0295 in (null):P-9999 (9) other bump:1.37007 Ang O(49) at 44.187 9.183 14.071 in (null):P-9999 (6) and CD(67) at 43.3505 9.69162 15.0295 in (null):P-9999 (9) other bump:2.08315 Ang C(50) at 43.886 7.993 13.949 in (null):P-9999 (6) and CD(67) at 43.3505 9.69162 15.0295 in (null):P-9999 (9) other bump:2.85668 Ang N(51) at 42.905 7.595 13.141 in (null):G-9999 (7) and CD(67) at 43.3505 9.69162 15.0295 in (null):P-9999 (9) other bump:3.13625 Ang CA(52) at 42.077 8.556 12.398 in (null):G-9999 (7) and CD(67) at 43.3505 9.69162 15.0295 in (null):P-9999 (9) other bump:3.14458 Ang C(43) at 43.36 7.108 16.822 in (null):H-9999 (5) and CD(67) at 43.3505 9.69162 15.0295 in (null):P-9999 (9) other bump:2.54774 Ang C(54) at 41.497 9.648 13.282 in (null):G-9999 (7) and CD(67) at 43.3505 9.69162 15.0295 in (null):P-9999 (9) other bump:2.40165 Ang N(44) at 44.55 7.173 16.226 in (null):P-9999 (6) and CG(66) at 44.7725 9.45195 15.5016 in (null):P-9999 (9) other bump:2.53731 Ang CA(45) at 44.693 7.021 14.779 in (null):P-9999 (6) and CG(66) at 44.7725 9.45195 15.5016 in (null):P-9999 (9) other bump:1.56894 Ang O(49) at 44.187 9.183 14.071 in (null):P-9999 (6) and CG(66) at 44.7725 9.45195 15.5016 in (null):P-9999 (9) other bump:2.30755 Ang C(50) at 43.886 7.993 13.949 in (null):P-9999 (6) and CG(66) at 44.7725 9.45195 15.5016 in (null):P-9999 (9) other bump:3.03854 Ang C(43) at 43.36 7.108 16.822 in (null):H-9999 (5) and CG(66) at 44.7725 9.45195 15.5016 in (null):P-9999 (9) neighbor-bump: 2.29126 Ang CG(37) at 43.477 4.369 18.198 in (null):H-9999 (5) and CD(48) at 44.5238 5.36643 16.4206 in (null):P-9999 (6) neighbor-bump: 2.13473 Ang CD2(38) at 44.812 4.16 18.158 in (null):H-9999 (5) and CD(48) at 44.5238 5.36643 16.4206 in (null):P-9999 (6) neighbor-bump: 2.13277 Ang C(43) at 43.36 7.108 16.822 in (null):H-9999 (5) and CD(48) at 44.5238 5.36643 16.4206 in (null):P-9999 (6) self-bump: 1.3149 Ang CA(45) at 44.693 7.021 14.779 in (null):P-9999 (6) and CB(46) at 44.9245 5.89703 14.1371 in (null):P-9999 (6) other bump:2.92049 Ang CD2(6) at 42.3134 11.338 28.8858 in (null):H-9999 (1) and CD1(25) at 42.1676 8.56382 27.9849 in (null):I-9999 (3) other bump:2.71865 Ang CD2(6) at 42.3134 11.338 28.8858 in (null):H-9999 (1) and CG1(23) at 42.1168 9.54231 26.8541 in (null):I-9999 (3) other bump:2.75474 Ang NE2(9) at 43.5183 11.4681 28.2382 in (null):H-9999 (1) and CG1(23) at 42.1168 9.54231 26.8541 in (null):I-9999 (3) Number of specific fragments= 1 total=3004 # 1e19A.372.291 read from T0147_twice.t2k.frag # found chain 1e19A in template set T0147_twice 372 :HIIS 1e19A 292 :AIIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0147_twice 378 :GNP 1e19A 298 :EKA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues other bump:1.99463 Ang O(0) at 15.52 47.226 56.914 in (null):G-9999 (0) and CD(18) at 17.1681 47.8315 57.8604 in (null):P-9999 (3) other bump:2.95178 Ang C(1) at 14.391 46.979 57.337 in (null):G-9999 (0) and CD(18) at 17.1681 47.8315 57.8604 in (null):P-9999 (3) Number of specific fragments= 2 total=3006 Number of alignments=80 # 2plc.372.211 read from T0147_twice.t2k.frag # found chain 2plc in training set T0147_twice 372 :HIISHPGNP 2plc 232 :LFLNHISAT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.02955 Ang C(62) at 38.219 28.229 31.636 in (null):N-9999 (8) and CD(67) at 37.0692 26.5884 31.3114 in (null):P-9999 (9) Number of specific fragments= 1 total=3007 # 1pymA.373.186 read from T0147_twice.t2k.frag # found chain 1pymA in template set T0147_twice 373 :IISHPGNPK 1pymA 187 :ILMHSKKAD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.10301 Ang OD1(50) at 18.6737 59.4672 78.965 in (null):N-9999 (7) and O(67) at 18.897 58.087 77.394 in (null):K-9999 (9) neighbor-bump: 2.37728 Ang O(32) at 18.407 66.711 76.942 in (null):H-9999 (4) and CD(38) at 19.4729 65.1287 75.5237 in (null):P-9999 (5) neighbor-bump: 1.64173 Ang C(33) at 19.472 66.522 76.392 in (null):H-9999 (4) and CD(38) at 19.4729 65.1287 75.5237 in (null):P-9999 (5) neighbor-bump: 2.3244 Ang CA(25) at 19.939 67.385 75.216 in (null):H-9999 (4) and CD(38) at 19.4729 65.1287 75.5237 in (null):P-9999 (5) Number of specific fragments= 1 total=3008 # 1jx2B.373.172 read from T0147_twice.t2k.frag # found chain 1jx2B in template set T0147_twice 373 :IISHPGNPK 1jx2B 174 :VAVTPANTD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.76481 Ang C(59) at -110.729 -6.305 13.169 in (null):P-9999 (8) and CG(63) at -112.097 -6.62609 15.5502 in (null):K-9999 (9) neighbor-bump: 2.20102 Ang O(58) at -110.434 -6.987 14.154 in (null):P-9999 (8) and CG(63) at -112.097 -6.62609 15.5502 in (null):K-9999 (9) self-bump: 2.20167 Ang CA(54) at -110.72 -6.908 11.767 in (null):P-9999 (8) and CD(57) at -108.9 -7.38988 10.6257 in (null):P-9999 (8) neighbor-bump: 2.69748 Ang ND2(49) at -108.259 -7.675 8.021 in (null):N-9999 (7) and CD(57) at -108.9 -7.38988 10.6257 in (null):P-9999 (8) neighbor-bump: 2.04118 Ang C(52) at -110.06 -6.082 9.572 in (null):N-9999 (7) and CD(57) at -108.9 -7.38988 10.6257 in (null):P-9999 (8) other bump:3.11185 Ang C(40) at -105.811 -7.164 10.927 in (null):P-9999 (5) and CD(57) at -108.9 -7.38988 10.6257 in (null):P-9999 (8) self-bump: 2.07818 Ang CA(54) at -110.72 -6.908 11.767 in (null):P-9999 (8) and CG(56) at -109.657 -8.58567 11.1553 in (null):P-9999 (8) other bump:2.2607 Ang CG2(14) at -102.334 -12.4579 18.8941 in (null):I-9999 (2) and NE2(31) at -104.218 -11.7874 17.8401 in (null):H-9999 (4) other bump:2.83628 Ang CG2(14) at -102.334 -12.4579 18.8941 in (null):I-9999 (2) and CD2(28) at -103.693 -10.7971 17.0391 in (null):H-9999 (4) Number of specific fragments= 1 total=3009 # 1ej2A.373.118 read from T0147_twice.t2k.frag # found chain 1ej2A in template set T0147_twice 373 :IISHPGNPK 1ej2A 119 :VTAPPLFYR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.85968 Ang OD1(50) at 15.8137 15.0129 52.5301 in (null):N-9999 (7) and CD(57) at 17.2278 15.5336 53.6198 in (null):P-9999 (8) neighbor-bump: 2.42973 Ang O(51) at 19.003 16.468 52.249 in (null):N-9999 (7) and CD(57) at 17.2278 15.5336 53.6198 in (null):P-9999 (8) neighbor-bump: 1.78968 Ang C(52) at 17.979 16.918 52.77 in (null):N-9999 (7) and CD(57) at 17.2278 15.5336 53.6198 in (null):P-9999 (8) self-bump: 2.22641 Ang CA(54) at 18.754 16.34 55.026 in (null):P-9999 (8) and CD(57) at 17.2278 15.5336 53.6198 in (null):P-9999 (8) Number of specific fragments= 1 total=3010 # 1a88A.373.218 read from T0147_twice.t2k.frag # adding 1a88A to template set 1a88A:# found chain 1a88A in template set T0147_twice 373 :IISHPGNPK 1a88A 219 :LVAHGTDDQ Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04779 Ang O(39) at 12.43 79.913 -0.19 in (null):P-9999 (5) and CD(57) at 11.0708 79.8449 -1.72012 in (null):P-9999 (8) other bump:2.79949 Ang C(40) at 13.318 80.748 -0.316 in (null):P-9999 (5) and CD(57) at 11.0708 79.8449 -1.72012 in (null):P-9999 (8) other bump:3.24183 Ang CA(42) at 11.712 82.541 -0.038 in (null):G-9999 (6) and CD(57) at 11.0708 79.8449 -1.72012 in (null):P-9999 (8) other bump:2.65287 Ang C(44) at 10.868 82.456 -1.297 in (null):G-9999 (6) and CD(57) at 11.0708 79.8449 -1.72012 in (null):P-9999 (8) neighbor-bump: 2.48792 Ang N(45) at 11.419 82.183 -2.496 in (null):N-9999 (7) and CD(57) at 11.0708 79.8449 -1.72012 in (null):P-9999 (8) other bump:2.85852 Ang CG(37) at 14.7949 78.4329 -1.94064 in (null):P-9999 (5) and CG(56) at 11.968 78.6481 -1.57528 in (null):P-9999 (8) other bump:1.93194 Ang O(39) at 12.43 79.913 -0.19 in (null):P-9999 (5) and CG(56) at 11.968 78.6481 -1.57528 in (null):P-9999 (8) other bump:2.79603 Ang C(40) at 13.318 80.748 -0.316 in (null):P-9999 (5) and CG(56) at 11.968 78.6481 -1.57528 in (null):P-9999 (8) Number of specific fragments= 1 total=3011 # 1e0tA.373.373 read from T0147_twice.t2k.frag # found chain 1e0tA in template set T0147_twice 373 :IISHPGNPK 1e0tA 374 :IVVATQGGK Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.55972 Ang ND2(49) at -4.04147 29.8263 102.702 in (null):N-9999 (7) and NZ(66) at -2.577 30.126 102.257 in (null):K-9999 (9) other bump:2.47021 Ang ND2(49) at -4.04147 29.8263 102.702 in (null):N-9999 (7) and CE(65) at -1.687 29.101 102.882 in (null):K-9999 (9) other bump:2.58459 Ang ND2(49) at -4.04147 29.8263 102.702 in (null):N-9999 (7) and CD(64) at -2.411 28.191 103.863 in (null):K-9999 (9) other bump:2.40695 Ang ND2(49) at -4.04147 29.8263 102.702 in (null):N-9999 (7) and CG(63) at -3.497 27.51 103.065 in (null):K-9999 (9) neighbor-bump: 2.0065 Ang CA(46) at -7.267 30.574 101.028 in (null):N-9999 (7) and CD(57) at -7.28635 28.7928 100.104 in (null):P-9999 (8) neighbor-bump: 2.8383 Ang CB(47) at -5.87003 30.8806 101.405 in (null):N-9999 (7) and CD(57) at -7.28635 28.7928 100.104 in (null):P-9999 (8) neighbor-bump: 0.774356 Ang O(51) at -6.708 28.656 99.608 in (null):N-9999 (7) and CD(57) at -7.28635 28.7928 100.104 in (null):P-9999 (8) neighbor-bump: 0.563124 Ang C(52) at -7.356 29.091 100.577 in (null):N-9999 (7) and CD(57) at -7.28635 28.7928 100.104 in (null):P-9999 (8) neighbor-bump: 3.17668 Ang CA(46) at -7.267 30.574 101.028 in (null):N-9999 (7) and CG(56) at -8.2337 28.2771 99.058 in (null):P-9999 (8) neighbor-bump: 1.66549 Ang O(51) at -6.708 28.656 99.608 in (null):N-9999 (7) and CG(56) at -8.2337 28.2771 99.058 in (null):P-9999 (8) neighbor-bump: 1.93396 Ang C(52) at -7.356 29.091 100.577 in (null):N-9999 (7) and CG(56) at -8.2337 28.2771 99.058 in (null):P-9999 (8) self-bump: 2.20876 Ang N(53) at -8.18 28.3 101.266 in (null):P-9999 (8) and CG(56) at -8.2337 28.2771 99.058 in (null):P-9999 (8) neighbor-bump: 2.07114 Ang C(33) at -12.841 27.516 105.969 in (null):H-9999 (4) and CD(38) at -13.4224 26.7333 104.142 in (null):P-9999 (5) Number of specific fragments= 1 total=3012 # 2plc.373.212 read from T0147_twice.t2k.frag # found chain 2plc in training set T0147_twice 373 :IISHPGNPK 2plc 233 :FLNHISATS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42465 Ang CA(46) at 38.357 28.454 30.125 in (null):N-9999 (7) and CD(57) at 37.0271 26.8206 31.3259 in (null):P-9999 (8) neighbor-bump: 1.87093 Ang C(52) at 38.219 28.229 31.636 in (null):N-9999 (7) and CD(57) at 37.0271 26.8206 31.3259 in (null):P-9999 (8) neighbor-bump: 2.83506 Ang C(52) at 38.219 28.229 31.636 in (null):N-9999 (7) and CG(56) at 36.0401 26.6021 32.438 in (null):P-9999 (8) Number of specific fragments= 1 total=3013 # 1ej2A.374.119 read from T0147_twice.t2k.frag # found chain 1ej2A in template set T0147_twice 374 :ISHPGNPKY 1ej2A 120 :TAPPLFYRD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.85968 Ang OD1(42) at 15.8137 15.0129 52.5301 in (null):N-9999 (6) and CD(49) at 17.2278 15.5336 53.6198 in (null):P-9999 (7) neighbor-bump: 2.42973 Ang O(43) at 19.003 16.468 52.249 in (null):N-9999 (6) and CD(49) at 17.2278 15.5336 53.6198 in (null):P-9999 (7) neighbor-bump: 1.78968 Ang C(44) at 17.979 16.918 52.77 in (null):N-9999 (6) and CD(49) at 17.2278 15.5336 53.6198 in (null):P-9999 (7) self-bump: 2.22641 Ang CA(46) at 18.754 16.34 55.026 in (null):P-9999 (7) and CD(49) at 17.2278 15.5336 53.6198 in (null):P-9999 (7) Number of specific fragments= 1 total=3014 # 1jx2B.374.173 read from T0147_twice.t2k.frag # found chain 1jx2B in template set T0147_twice 374 :ISHPGNPKY 1jx2B 175 :AVTPANTDL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.04118 Ang C(44) at -110.06 -6.082 9.572 in (null):N-9999 (6) and CD(49) at -108.9 -7.38988 10.6257 in (null):P-9999 (7) self-bump: 2.20167 Ang CA(46) at -110.72 -6.908 11.767 in (null):P-9999 (7) and CD(49) at -108.9 -7.38988 10.6257 in (null):P-9999 (7) neighbor-bump: 2.69748 Ang ND2(41) at -108.259 -7.675 8.021 in (null):N-9999 (6) and CD(49) at -108.9 -7.38988 10.6257 in (null):P-9999 (7) other bump:3.11185 Ang C(32) at -105.811 -7.164 10.927 in (null):P-9999 (4) and CD(49) at -108.9 -7.38988 10.6257 in (null):P-9999 (7) self-bump: 2.07818 Ang CA(46) at -110.72 -6.908 11.767 in (null):P-9999 (7) and CG(48) at -109.657 -8.58567 11.1553 in (null):P-9999 (7) other bump:2.15935 Ang CG2(6) at -102.31 -12.0514 18.8145 in (null):I-9999 (1) and NE2(23) at -104.218 -11.7874 17.8401 in (null):H-9999 (3) other bump:2.57643 Ang CG2(6) at -102.31 -12.0514 18.8145 in (null):I-9999 (1) and CD2(20) at -103.693 -10.7971 17.0391 in (null):H-9999 (3) Number of specific fragments= 1 total=3015 # 1pymA.374.187 read from T0147_twice.t2k.frag # found chain 1pymA in template set T0147_twice 374 :ISHPGNPKY 1pymA 188 :LMHSKKADP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.10301 Ang OD1(42) at 18.6737 59.4672 78.965 in (null):N-9999 (6) and O(59) at 18.897 58.087 77.394 in (null):K-9999 (8) neighbor-bump: 2.3244 Ang CA(17) at 19.939 67.385 75.216 in (null):H-9999 (3) and CD(30) at 19.4729 65.1287 75.5237 in (null):P-9999 (4) neighbor-bump: 2.37728 Ang O(24) at 18.407 66.711 76.942 in (null):H-9999 (3) and CD(30) at 19.4729 65.1287 75.5237 in (null):P-9999 (4) neighbor-bump: 1.64173 Ang C(25) at 19.472 66.522 76.392 in (null):H-9999 (3) and CD(30) at 19.4729 65.1287 75.5237 in (null):P-9999 (4) Number of specific fragments= 1 total=3016 # 1e0tA.374.374 read from T0147_twice.t2k.frag # found chain 1e0tA in template set T0147_twice 374 :ISHPGNPKY 1e0tA 375 :VVATQGGKS Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05274 Ang CB(12) at -13.345 22.6994 106.167 in (null):S-9999 (2) and CE1(67) at -10.9247 22.3526 107.995 in (null):Y-9999 (9) other bump:1.90698 Ang OG(13) at -12.1935 23.199 106.85 in (null):S-9999 (2) and CE1(67) at -10.9247 22.3526 107.995 in (null):Y-9999 (9) other bump:1.8988 Ang OG(13) at -12.1935 23.199 106.85 in (null):S-9999 (2) and CD1(65) at -10.32 23.2542 107.154 in (null):Y-9999 (9) other bump:1.55972 Ang ND2(41) at -4.04147 29.8263 102.702 in (null):N-9999 (6) and NZ(58) at -2.577 30.126 102.257 in (null):K-9999 (8) other bump:2.47021 Ang ND2(41) at -4.04147 29.8263 102.702 in (null):N-9999 (6) and CE(57) at -1.687 29.101 102.882 in (null):K-9999 (8) other bump:2.58459 Ang ND2(41) at -4.04147 29.8263 102.702 in (null):N-9999 (6) and CD(56) at -2.411 28.191 103.863 in (null):K-9999 (8) other bump:2.40695 Ang ND2(41) at -4.04147 29.8263 102.702 in (null):N-9999 (6) and CG(55) at -3.497 27.51 103.065 in (null):K-9999 (8) neighbor-bump: 2.0065 Ang CA(38) at -7.267 30.574 101.028 in (null):N-9999 (6) and CD(49) at -7.28635 28.7928 100.104 in (null):P-9999 (7) neighbor-bump: 2.8383 Ang CB(39) at -5.87003 30.8806 101.405 in (null):N-9999 (6) and CD(49) at -7.28635 28.7928 100.104 in (null):P-9999 (7) neighbor-bump: 0.774356 Ang O(43) at -6.708 28.656 99.608 in (null):N-9999 (6) and CD(49) at -7.28635 28.7928 100.104 in (null):P-9999 (7) neighbor-bump: 0.563124 Ang C(44) at -7.356 29.091 100.577 in (null):N-9999 (6) and CD(49) at -7.28635 28.7928 100.104 in (null):P-9999 (7) neighbor-bump: 3.17668 Ang CA(38) at -7.267 30.574 101.028 in (null):N-9999 (6) and CG(48) at -8.2337 28.2771 99.058 in (null):P-9999 (7) neighbor-bump: 1.66549 Ang O(43) at -6.708 28.656 99.608 in (null):N-9999 (6) and CG(48) at -8.2337 28.2771 99.058 in (null):P-9999 (7) neighbor-bump: 1.93396 Ang C(44) at -7.356 29.091 100.577 in (null):N-9999 (6) and CG(48) at -8.2337 28.2771 99.058 in (null):P-9999 (7) self-bump: 2.20876 Ang N(45) at -8.18 28.3 101.266 in (null):P-9999 (7) and CG(48) at -8.2337 28.2771 99.058 in (null):P-9999 (7) neighbor-bump: 2.07114 Ang C(25) at -12.841 27.516 105.969 in (null):H-9999 (3) and CD(30) at -13.4224 26.7333 104.142 in (null):P-9999 (4) Number of specific fragments= 1 total=3017 # 1booA.374.230 read from T0147_twice.t2k.frag # adding 1booA to template set 1booA:# found chain 1booA in template set T0147_twice 374 :ISHPGNPKY 1booA 244 :KAHPARFPA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3018 # 2bnh.374.374 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 374 :ISHPGNPKY 2bnh 374 :DCEVTNSGC Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38958 Ang O(43) at -13.138 45.952 1.994 in (null):N-9999 (6) and CE2(68) at -13.1066 45.0791 -0.230211 in (null):Y-9999 (9) other bump:3.07539 Ang CA(38) at -13.794 43.97 3.166 in (null):N-9999 (6) and CD2(66) at -12.2096 45.2154 0.842907 in (null):Y-9999 (9) other bump:2.61434 Ang C(44) at -13.866 45.466 2.85 in (null):N-9999 (6) and CD2(66) at -12.2096 45.2154 0.842907 in (null):Y-9999 (9) other bump:1.65211 Ang O(43) at -13.138 45.952 1.994 in (null):N-9999 (6) and CD2(66) at -12.2096 45.2154 0.842907 in (null):Y-9999 (9) other bump:2.76823 Ang CG(29) at -8.27142 44.9061 9.73239 in (null):P-9999 (4) and CE(57) at -8.12932 47.5183 8.82725 in (null):K-9999 (8) other bump:2.79141 Ang CA(27) at -10.584 44.922 9.204 in (null):P-9999 (4) and CD(56) at -9.61043 47.4306 8.4616 in (null):K-9999 (8) other bump:2.70491 Ang CB(28) at -9.19378 44.7599 8.56333 in (null):P-9999 (4) and CD(56) at -9.61043 47.4306 8.4616 in (null):K-9999 (8) neighbor-bump: 2.56237 Ang N(37) at -14.034 43.717 4.569 in (null):N-9999 (6) and CD(49) at -15.7861 45.5681 4.3055 in (null):P-9999 (7) neighbor-bump: 2.42908 Ang N(16) at -9.663 43.526 13.042 in (null):H-9999 (3) and CD(30) at -8.92979 44.0655 10.7899 in (null):P-9999 (4) other bump:2.84158 Ang C(15) at -9.051 44.563 13.585 in (null):S-9999 (2) and CD(30) at -8.92979 44.0655 10.7899 in (null):P-9999 (4) Number of specific fragments= 1 total=3019 # 1ej2A.375.120 read from T0147_twice.t2k.frag # found chain 1ej2A in template set T0147_twice 375 :SHPGNPKYE 1ej2A 121 :APPLFYRDR Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38606 Ang CA(66) at 23.9 13.743 55.711 in (null):E-9999 (9) and CB(67) at 23.3376 12.6033 56.2642 in (null):E-9999 (9) neighbor-bump: 2.95571 Ang CE(49) at 20.9248 22.0097 57.0836 in (null):K-9999 (7) and CE1(59) at 22.3677 20.965 59.4421 in (null):Y-9999 (8) neighbor-bump: 1.85968 Ang OD1(34) at 15.8137 15.0129 52.5301 in (null):N-9999 (5) and CD(41) at 17.2278 15.5336 53.6198 in (null):P-9999 (6) neighbor-bump: 2.42973 Ang O(35) at 19.003 16.468 52.249 in (null):N-9999 (5) and CD(41) at 17.2278 15.5336 53.6198 in (null):P-9999 (6) neighbor-bump: 1.78968 Ang C(36) at 17.979 16.918 52.77 in (null):N-9999 (5) and CD(41) at 17.2278 15.5336 53.6198 in (null):P-9999 (6) self-bump: 2.22641 Ang CA(38) at 18.754 16.34 55.026 in (null):P-9999 (6) and CD(41) at 17.2278 15.5336 53.6198 in (null):P-9999 (6) Number of specific fragments= 1 total=3020 # 2bnh.375.375 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 375 :SHPGNPKYE 2bnh 375 :CEVTNSGCS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38958 Ang O(35) at -13.138 45.952 1.994 in (null):N-9999 (5) and CE2(60) at -13.1066 45.0791 -0.230212 in (null):Y-9999 (8) other bump:3.07539 Ang CA(30) at -13.794 43.97 3.166 in (null):N-9999 (5) and CD2(58) at -12.2096 45.2154 0.842906 in (null):Y-9999 (8) other bump:2.61434 Ang C(36) at -13.866 45.466 2.85 in (null):N-9999 (5) and CD2(58) at -12.2096 45.2154 0.842906 in (null):Y-9999 (8) other bump:1.65211 Ang O(35) at -13.138 45.952 1.994 in (null):N-9999 (5) and CD2(58) at -12.2096 45.2154 0.842906 in (null):Y-9999 (8) other bump:2.76823 Ang CG(21) at -8.27143 44.9061 9.73239 in (null):P-9999 (3) and CE(49) at -8.12932 47.5183 8.82725 in (null):K-9999 (7) other bump:2.79141 Ang CA(19) at -10.584 44.922 9.204 in (null):P-9999 (3) and CD(48) at -9.61043 47.4306 8.4616 in (null):K-9999 (7) other bump:2.70491 Ang CB(20) at -9.19378 44.7599 8.56333 in (null):P-9999 (3) and CD(48) at -9.61043 47.4306 8.4616 in (null):K-9999 (7) neighbor-bump: 2.56237 Ang N(29) at -14.034 43.717 4.569 in (null):N-9999 (5) and CD(41) at -15.7861 45.5681 4.3055 in (null):P-9999 (6) neighbor-bump: 2.42908 Ang N(8) at -9.663 43.526 13.042 in (null):H-9999 (2) and CD(22) at -8.92979 44.0655 10.7899 in (null):P-9999 (3) other bump:2.84157 Ang C(7) at -9.051 44.563 13.585 in (null):S-9999 (1) and CD(22) at -8.92979 44.0655 10.7899 in (null):P-9999 (3) Number of specific fragments= 1 total=3021 # 1booA.375.231 read from T0147_twice.t2k.frag # found chain 1booA in template set T0147_twice 375 :SHPGNPKYE 1booA 245 :AHPARFPAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3022 # 1jx2B.375.174 read from T0147_twice.t2k.frag # found chain 1jx2B in template set T0147_twice 375 :SHPGNPKYE 1jx2B 176 :VTPANTDLA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.04118 Ang C(36) at -110.06 -6.082 9.572 in (null):N-9999 (5) and CD(41) at -108.9 -7.38988 10.6257 in (null):P-9999 (6) self-bump: 2.20167 Ang CA(38) at -110.72 -6.908 11.767 in (null):P-9999 (6) and CD(41) at -108.9 -7.38988 10.6257 in (null):P-9999 (6) neighbor-bump: 2.69748 Ang ND2(33) at -108.259 -7.675 8.021 in (null):N-9999 (5) and CD(41) at -108.9 -7.38988 10.6257 in (null):P-9999 (6) other bump:3.11185 Ang C(24) at -105.811 -7.164 10.927 in (null):P-9999 (3) and CD(41) at -108.9 -7.38988 10.6257 in (null):P-9999 (6) self-bump: 2.07818 Ang CA(38) at -110.72 -6.908 11.767 in (null):P-9999 (6) and CG(40) at -109.657 -8.58567 11.1553 in (null):P-9999 (6) Number of specific fragments= 1 total=3023 # 1l9fA.375.375 read from T0147_twice.t2k.frag # adding 1l9fA to template set 1l9fA:# found chain 1l9fA in template set T0147_twice 375 :SHPGNPKYE 1l9fA 376 :NRPALKESL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50251 Ang C(1) at 14.692 25.062 48.641 in (null):G-9999 (0) and NZ(50) at 13.47 27.0852 49.4632 in (null):K-9999 (7) other bump:2.30866 Ang O(0) at 15.514 25.913 48.955 in (null):G-9999 (0) and CE(49) at 14.6828 28.006 49.4633 in (null):K-9999 (7) other bump:3.0567 Ang C(1) at 14.692 25.062 48.641 in (null):G-9999 (0) and CE(49) at 14.6828 28.006 49.4633 in (null):K-9999 (7) other bump:2.33464 Ang O(0) at 15.514 25.913 48.955 in (null):G-9999 (0) and CD(48) at 15.6092 27.6047 50.5611 in (null):K-9999 (7) other bump:2.18892 Ang O(16) at 19.229 23.895 46.822 in (null):H-9999 (2) and OD1(34) at 18.9142 26.0607 46.7781 in (null):N-9999 (5) self-bump: 1.39193 Ang CA(30) at 19.695 26.931 44.407 in (null):N-9999 (5) and CB(31) at 18.3478 27.1453 44.6839 in (null):N-9999 (5) Number of specific fragments= 1 total=3024 # 1el5A.375.375 read from T0147_twice.t2k.frag # adding 1el5A to template set 1el5A:Skipped atom 1482, because occupancy 0.5 <= existing 0.500001 Skipped atom 1484, because occupancy 0.5 <= existing 0.500001 Skipped atom 1486, because occupancy 0.5 <= existing 0.500001 Skipped atom 1488, because occupancy 0.5 <= existing 0.500001 Skipped atom 1490, because occupancy 0.5 <= existing 0.500001 Skipped atom 1492, because occupancy 0.5 <= existing 0.500001 Skipped atom 2799, because occupancy 0.5 <= existing 0.500001 Skipped atom 2801, because occupancy 0.5 <= existing 0.500001 Skipped atom 2803, because occupancy 0.5 <= existing 0.500001 Skipped atom 2805, because occupancy 0.5 <= existing 0.500001 Skipped atom 2807, because occupancy 0.5 <= existing 0.500001 Skipped atom 2809, because occupancy 0.5 <= existing 0.500001 # found chain 1el5A in template set T0147_twice 375 :SHPGNPKYE 1el5A 376 :NRPALKESL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.10234 Ang CA(3) at 16.197 23.377 49.126 in (null):S-9999 (1) and NZ(50) at 14.9976 25.078 49.4224 in (null):K-9999 (7) other bump:1.6474 Ang O(0) at 15.763 26.038 48.324 in (null):G-9999 (0) and NZ(50) at 14.9976 25.078 49.4224 in (null):K-9999 (7) other bump:1.35529 Ang C(1) at 14.909 25.194 48.075 in (null):G-9999 (0) and NZ(50) at 14.9976 25.078 49.4224 in (null):K-9999 (7) other bump:1.54844 Ang N(2) at 15.033 23.913 48.403 in (null):S-9999 (1) and NZ(50) at 14.9976 25.078 49.4224 in (null):K-9999 (7) other bump:2.46477 Ang CA(3) at 16.197 23.377 49.126 in (null):S-9999 (1) and CE(49) at 16.289 25.8263 49.3858 in (null):K-9999 (7) other bump:1.20367 Ang O(0) at 15.763 26.038 48.324 in (null):G-9999 (0) and CE(49) at 16.289 25.8263 49.3858 in (null):K-9999 (7) other bump:2.00558 Ang C(1) at 14.909 25.194 48.075 in (null):G-9999 (0) and CE(49) at 16.289 25.8263 49.3858 in (null):K-9999 (7) other bump:2.49082 Ang N(2) at 15.033 23.913 48.403 in (null):S-9999 (1) and CE(49) at 16.289 25.8263 49.3858 in (null):K-9999 (7) other bump:1.85558 Ang O(0) at 15.763 26.038 48.324 in (null):G-9999 (0) and CD(48) at 16.0926 27.3087 49.6355 in (null):K-9999 (7) other bump:2.88233 Ang C(1) at 14.909 25.194 48.075 in (null):G-9999 (0) and CD(48) at 16.0926 27.3087 49.6355 in (null):K-9999 (7) other bump:2.23023 Ang O(16) at 19.411 24.153 46.133 in (null):H-9999 (2) and OD1(34) at 19.2319 26.3733 46.2421 in (null):N-9999 (5) self-bump: 1.36745 Ang CA(30) at 19.927 27.108 43.817 in (null):N-9999 (5) and CB(31) at 18.6249 27.3897 44.1253 in (null):N-9999 (5) Number of specific fragments= 1 total=3025 # 2bnh.376.376 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 376 :HPGNPKYEI 2bnh 376 :EVTNSGCSS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38958 Ang O(29) at -13.138 45.952 1.994 in (null):N-9999 (4) and CE2(54) at -13.1066 45.0791 -0.230212 in (null):Y-9999 (7) other bump:3.07539 Ang CA(24) at -13.794 43.97 3.166 in (null):N-9999 (4) and CD2(52) at -12.2096 45.2154 0.842906 in (null):Y-9999 (7) other bump:2.61434 Ang C(30) at -13.866 45.466 2.85 in (null):N-9999 (4) and CD2(52) at -12.2096 45.2154 0.842906 in (null):Y-9999 (7) other bump:1.65211 Ang O(29) at -13.138 45.952 1.994 in (null):N-9999 (4) and CD2(52) at -12.2096 45.2154 0.842906 in (null):Y-9999 (7) other bump:2.76823 Ang CG(15) at -8.27142 44.9061 9.73239 in (null):P-9999 (2) and CE(43) at -8.12932 47.5183 8.82725 in (null):K-9999 (6) other bump:2.79141 Ang CA(13) at -10.584 44.922 9.204 in (null):P-9999 (2) and CD(42) at -9.61043 47.4306 8.4616 in (null):K-9999 (6) other bump:2.70491 Ang CB(14) at -9.19378 44.7599 8.56333 in (null):P-9999 (2) and CD(42) at -9.61043 47.4306 8.4616 in (null):K-9999 (6) neighbor-bump: 2.56237 Ang N(23) at -14.034 43.717 4.569 in (null):N-9999 (4) and CD(35) at -15.7861 45.5681 4.3055 in (null):P-9999 (5) neighbor-bump: 2.42908 Ang N(2) at -9.663 43.526 13.042 in (null):H-9999 (1) and CD(16) at -8.92979 44.0655 10.7899 in (null):P-9999 (2) other bump:2.84157 Ang C(1) at -9.051 44.563 13.585 in (null):G-9999 (0) and CD(16) at -8.92979 44.0655 10.7899 in (null):P-9999 (2) Number of specific fragments= 1 total=3026 # 1ej2A.376.121 read from T0147_twice.t2k.frag # found chain 1ej2A in template set T0147_twice 376 :HPGNPKYEI 1ej2A 122 :PPLFYRDRY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38605 Ang CA(60) at 23.9 13.743 55.711 in (null):E-9999 (8) and CB(61) at 23.3376 12.6033 56.2642 in (null):E-9999 (8) neighbor-bump: 2.95571 Ang CE(43) at 20.9248 22.0097 57.0836 in (null):K-9999 (6) and CE1(53) at 22.3677 20.965 59.4421 in (null):Y-9999 (7) neighbor-bump: 1.85968 Ang OD1(28) at 15.8137 15.0129 52.5301 in (null):N-9999 (4) and CD(35) at 17.2278 15.5336 53.6198 in (null):P-9999 (5) neighbor-bump: 2.42973 Ang O(29) at 19.003 16.468 52.249 in (null):N-9999 (4) and CD(35) at 17.2278 15.5336 53.6198 in (null):P-9999 (5) neighbor-bump: 1.78968 Ang C(30) at 17.979 16.918 52.77 in (null):N-9999 (4) and CD(35) at 17.2278 15.5336 53.6198 in (null):P-9999 (5) self-bump: 2.22641 Ang CA(32) at 18.754 16.34 55.026 in (null):P-9999 (5) and CD(35) at 17.2278 15.5336 53.6198 in (null):P-9999 (5) Number of specific fragments= 1 total=3027 # 1booA.376.232 read from T0147_twice.t2k.frag # found chain 1booA in template set T0147_twice 376 :HPGNPKYEI 1booA 246 :HPARFPAKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3028 # 1l9fA.376.376 read from T0147_twice.t2k.frag # found chain 1l9fA in template set T0147_twice 376 :HPGNPKYEI 1l9fA 377 :RPALKESLQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.18892 Ang O(10) at 19.229 23.895 46.822 in (null):H-9999 (1) and OD1(28) at 18.9142 26.0607 46.7781 in (null):N-9999 (4) self-bump: 1.39193 Ang CA(24) at 19.695 26.931 44.407 in (null):N-9999 (4) and CB(25) at 18.3478 27.1453 44.6839 in (null):N-9999 (4) Number of specific fragments= 1 total=3029 # 1el5A.376.376 read from T0147_twice.t2k.frag # found chain 1el5A in template set T0147_twice 376 :HPGNPKYE 1el5A 377 :RPALKESL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.23023 Ang O(10) at 19.411 24.153 46.133 in (null):H-9999 (1) and OD1(28) at 19.2319 26.3733 46.2421 in (null):N-9999 (4) self-bump: 1.36745 Ang CA(24) at 19.927 27.108 43.817 in (null):N-9999 (4) and CB(25) at 18.6249 27.3897 44.1253 in (null):N-9999 (4) Number of specific fragments= 1 total=3030 # 1a4yA.376.377 read from T0147_twice.t2k.frag # adding 1a4yA to template set 1a4yA:# found chain 1a4yA in template set T0147_twice 376 :HPGNPKYEI 1a4yA 378 :DCDVSDSSC Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52099 Ang O(45) at -4.335 8.187 52.108 in (null):K-9999 (6) and CG2(72) at -5.22629 8.84081 49.8423 in (null):I-9999 (9) neighbor-bump: 2.65814 Ang CD2(52) at -0.165197 10.3152 56.2996 in (null):Y-9999 (7) and OE2(65) at 1.89633 10.7038 54.6672 in (null):E-9999 (8) neighbor-bump: 3.0234 Ang CE2(54) at 0.149637 11.4575 57.0171 in (null):Y-9999 (7) and OE2(65) at 1.89633 10.7038 54.6672 in (null):E-9999 (8) other bump:2.42614 Ang O(0) at 9.287 1.879 46.947 in (null):G-9999 (0) and CD(16) at 7.48376 2.3348 48.5048 in (null):P-9999 (2) other bump:2.16535 Ang C(1) at 8.148 1.57 46.591 in (null):G-9999 (0) and CD(16) at 7.48376 2.3348 48.5048 in (null):P-9999 (2) neighbor-bump: 1.92428 Ang N(2) at 7.333 0.819 47.329 in (null):H-9999 (1) and CD(16) at 7.48376 2.3348 48.5048 in (null):P-9999 (2) neighbor-bump: 2.06531 Ang CA(3) at 7.719 0.287 48.634 in (null):H-9999 (1) and CD(16) at 7.48376 2.3348 48.5048 in (null):P-9999 (2) neighbor-bump: 1.65575 Ang C(11) at 8.337 1.359 49.535 in (null):H-9999 (1) and CD(16) at 7.48376 2.3348 48.5048 in (null):P-9999 (2) self-bump: 1.27535 Ang N(12) at 7.61 2.446 49.769 in (null):P-9999 (2) and CD(16) at 7.48376 2.3348 48.5048 in (null):P-9999 (2) other bump:2.49874 Ang O(0) at 9.287 1.879 46.947 in (null):G-9999 (0) and CG(15) at 8.01514 3.69637 48.0973 in (null):P-9999 (2) other bump:2.60924 Ang C(1) at 8.148 1.57 46.591 in (null):G-9999 (0) and CG(15) at 8.01514 3.69637 48.0973 in (null):P-9999 (2) neighbor-bump: 3.05531 Ang N(2) at 7.333 0.819 47.329 in (null):H-9999 (1) and CG(15) at 8.01514 3.69637 48.0973 in (null):P-9999 (2) neighbor-bump: 2.76293 Ang C(11) at 8.337 1.359 49.535 in (null):H-9999 (1) and CG(15) at 8.01514 3.69637 48.0973 in (null):P-9999 (2) self-bump: 2.12651 Ang N(12) at 7.61 2.446 49.769 in (null):P-9999 (2) and CG(15) at 8.01514 3.69637 48.0973 in (null):P-9999 (2) Number of specific fragments= 1 total=3031 # 2bnh.377.377 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 377 :PGNPKYEID 2bnh 377 :VTNSGCSSL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38958 Ang O(19) at -13.138 45.952 1.994 in (null):N-9999 (3) and CE2(44) at -13.1066 45.0791 -0.230212 in (null):Y-9999 (6) other bump:3.07539 Ang CA(14) at -13.794 43.97 3.166 in (null):N-9999 (3) and CD2(42) at -12.2096 45.2154 0.842906 in (null):Y-9999 (6) other bump:1.65211 Ang O(19) at -13.138 45.952 1.994 in (null):N-9999 (3) and CD2(42) at -12.2096 45.2154 0.842906 in (null):Y-9999 (6) other bump:2.61434 Ang C(20) at -13.866 45.466 2.85 in (null):N-9999 (3) and CD2(42) at -12.2096 45.2154 0.842906 in (null):Y-9999 (6) other bump:2.62371 Ang CB(4) at -9.2869 45.1725 8.62487 in (null):P-9999 (1) and CE(33) at -8.12932 47.5183 8.82725 in (null):K-9999 (5) other bump:2.79141 Ang CA(3) at -10.584 44.922 9.204 in (null):P-9999 (1) and CD(32) at -9.61043 47.4306 8.4616 in (null):K-9999 (5) other bump:2.28702 Ang CB(4) at -9.2869 45.1725 8.62487 in (null):P-9999 (1) and CD(32) at -9.61043 47.4306 8.4616 in (null):K-9999 (5) neighbor-bump: 2.56237 Ang N(13) at -14.034 43.717 4.569 in (null):N-9999 (3) and CD(25) at -15.7861 45.5681 4.3055 in (null):P-9999 (4) Number of specific fragments= 1 total=3032 # 1ej2A.377.122 read from T0147_twice.t2k.frag # found chain 1ej2A in template set T0147_twice 377 :PGNPKYEID 1ej2A 123 :PLFYRDRYS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38605 Ang CA(50) at 23.9 13.743 55.711 in (null):E-9999 (7) and CB(51) at 23.3376 12.6033 56.2642 in (null):E-9999 (7) neighbor-bump: 2.95571 Ang CE(33) at 20.9248 22.0097 57.0836 in (null):K-9999 (5) and CE1(43) at 22.3677 20.965 59.4421 in (null):Y-9999 (6) neighbor-bump: 1.85968 Ang OD1(18) at 15.8137 15.0129 52.5301 in (null):N-9999 (3) and CD(25) at 17.2278 15.5336 53.6198 in (null):P-9999 (4) neighbor-bump: 2.42973 Ang O(19) at 19.003 16.468 52.249 in (null):N-9999 (3) and CD(25) at 17.2278 15.5336 53.6198 in (null):P-9999 (4) neighbor-bump: 1.78968 Ang C(20) at 17.979 16.918 52.77 in (null):N-9999 (3) and CD(25) at 17.2278 15.5336 53.6198 in (null):P-9999 (4) self-bump: 2.22641 Ang CA(22) at 18.754 16.34 55.026 in (null):P-9999 (4) and CD(25) at 17.2278 15.5336 53.6198 in (null):P-9999 (4) Number of specific fragments= 1 total=3033 # 1e6yB.377.377 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 377 :PGNPKYEID 1e6yB 2379 :VTRHSRGFA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46992 Ang CD(32) at 32.779 81.7772 45.2806 in (null):K-9999 (5) and OD1(70) at 33.1579 84.021 44.3204 in (null):D-9999 (9) other bump:2.7349 Ang CD(32) at 32.779 81.7772 45.2806 in (null):K-9999 (5) and CG(69) at 34.0847 84.1764 45.144 in (null):D-9999 (9) other bump:2.84177 Ang C(12) at 39.939 82.761 48.229 in (null):G-9999 (2) and CD(25) at 38.5281 80.4907 49.1938 in (null):P-9999 (4) neighbor-bump: 2.40185 Ang N(13) at 40.555 81.65 48.631 in (null):N-9999 (3) and CD(25) at 38.5281 80.4907 49.1938 in (null):P-9999 (4) Number of specific fragments= 1 total=3034 # 1l9fA.377.377 read from T0147_twice.t2k.frag # found chain 1l9fA in template set T0147_twice 377 :PGNPKYEID 1l9fA 378 :PALKESLQK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.18892 Ang O(0) at 19.229 23.895 46.822 in (null):G-9999 (0) and OD1(18) at 18.9142 26.0607 46.7781 in (null):N-9999 (3) self-bump: 1.39193 Ang CA(14) at 19.695 26.931 44.407 in (null):N-9999 (3) and CB(15) at 18.3478 27.1453 44.6839 in (null):N-9999 (3) Number of specific fragments= 1 total=3035 # 1booA.377.233 read from T0147_twice.t2k.frag # found chain 1booA in template set T0147_twice 377 :PGNPKYEID 1booA 247 :PARFPAKLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3036 # 1a4yA.377.378 read from T0147_twice.t2k.frag # found chain 1a4yA in template set T0147_twice 377 :PGNPKYEID 1a4yA 379 :CDVSDSSCS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52099 Ang O(35) at -4.335 8.187 52.108 in (null):K-9999 (5) and CG2(62) at -5.22629 8.84081 49.8423 in (null):I-9999 (8) neighbor-bump: 2.65814 Ang CD2(42) at -0.165197 10.3152 56.2996 in (null):Y-9999 (6) and OE2(55) at 1.89633 10.7038 54.6672 in (null):E-9999 (7) neighbor-bump: 3.0234 Ang CE2(44) at 0.149637 11.4575 57.0171 in (null):Y-9999 (6) and OE2(55) at 1.89633 10.7038 54.6672 in (null):E-9999 (7) neighbor-bump: 1.65575 Ang C(1) at 8.337 1.359 49.535 in (null):G-9999 (0) and CD(6) at 7.48376 2.3348 48.5048 in (null):P-9999 (1) self-bump: 1.27535 Ang N(2) at 7.61 2.446 49.769 in (null):P-9999 (1) and CD(6) at 7.48376 2.3348 48.5048 in (null):P-9999 (1) neighbor-bump: 2.76293 Ang C(1) at 8.337 1.359 49.535 in (null):G-9999 (0) and CG(5) at 8.01515 3.69637 48.0973 in (null):P-9999 (1) self-bump: 2.12651 Ang N(2) at 7.61 2.446 49.769 in (null):P-9999 (1) and CG(5) at 8.01515 3.69637 48.0973 in (null):P-9999 (1) Number of specific fragments= 1 total=3037 # 2bnh.378.378 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 378 :GNPKYEIDV 2bnh 378 :TNSGCSSLA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38958 Ang O(12) at -13.138 45.952 1.994 in (null):N-9999 (2) and CE2(37) at -13.1066 45.0791 -0.230212 in (null):Y-9999 (5) other bump:3.07539 Ang CA(7) at -13.794 43.97 3.166 in (null):N-9999 (2) and CD2(35) at -12.2096 45.2154 0.842906 in (null):Y-9999 (5) other bump:1.65211 Ang O(12) at -13.138 45.952 1.994 in (null):N-9999 (2) and CD2(35) at -12.2096 45.2154 0.842906 in (null):Y-9999 (5) other bump:2.61434 Ang C(13) at -13.866 45.466 2.85 in (null):N-9999 (2) and CD2(35) at -12.2096 45.2154 0.842906 in (null):Y-9999 (5) neighbor-bump: 2.56237 Ang N(6) at -14.034 43.717 4.569 in (null):N-9999 (2) and CD(18) at -15.7861 45.5681 4.3055 in (null):P-9999 (3) Number of specific fragments= 1 total=3038 # 1e6yB.378.378 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 378 :GNPKYEIDV 1e6yB 2380 :TRHSRGFAI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46992 Ang CD(25) at 32.779 81.7772 45.2806 in (null):K-9999 (4) and OD1(63) at 33.1579 84.021 44.3204 in (null):D-9999 (8) other bump:2.7349 Ang CD(25) at 32.779 81.7772 45.2806 in (null):K-9999 (4) and CG(62) at 34.0847 84.1764 45.144 in (null):D-9999 (8) other bump:2.84177 Ang C(5) at 39.939 82.761 48.229 in (null):G-9999 (1) and CD(18) at 38.5281 80.4907 49.1938 in (null):P-9999 (3) neighbor-bump: 2.40185 Ang N(6) at 40.555 81.65 48.631 in (null):N-9999 (2) and CD(18) at 38.5281 80.4907 49.1938 in (null):P-9999 (3) Number of specific fragments= 1 total=3039 # 1ej2A.378.123 read from T0147_twice.t2k.frag # found chain 1ej2A in template set T0147_twice 378 :GNPKYEIDV 1ej2A 124 :LFYRDRYSG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38605 Ang CA(43) at 23.9 13.743 55.711 in (null):E-9999 (6) and CB(44) at 23.3376 12.6033 56.2642 in (null):E-9999 (6) neighbor-bump: 2.95571 Ang CE(26) at 20.9248 22.0097 57.0836 in (null):K-9999 (4) and CE1(36) at 22.3677 20.965 59.4421 in (null):Y-9999 (5) neighbor-bump: 1.85968 Ang OD1(11) at 15.8137 15.0129 52.5301 in (null):N-9999 (2) and CD(18) at 17.2278 15.5336 53.6198 in (null):P-9999 (3) neighbor-bump: 2.42973 Ang O(12) at 19.003 16.468 52.249 in (null):N-9999 (2) and CD(18) at 17.2278 15.5336 53.6198 in (null):P-9999 (3) neighbor-bump: 1.78968 Ang C(13) at 17.979 16.918 52.77 in (null):N-9999 (2) and CD(18) at 17.2278 15.5336 53.6198 in (null):P-9999 (3) self-bump: 2.22641 Ang CA(15) at 18.754 16.34 55.026 in (null):P-9999 (3) and CD(18) at 17.2278 15.5336 53.6198 in (null):P-9999 (3) Number of specific fragments= 1 total=3040 # 1a4yA.378.379 read from T0147_twice.t2k.frag # found chain 1a4yA in template set T0147_twice 378 :GNPKYEIDV 1a4yA 380 :DVSDSSCSS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52099 Ang O(28) at -4.335 8.187 52.108 in (null):K-9999 (4) and CG2(55) at -5.22629 8.84081 49.8423 in (null):I-9999 (7) neighbor-bump: 2.65814 Ang CD2(35) at -0.165197 10.3152 56.2996 in (null):Y-9999 (5) and OE2(48) at 1.89633 10.7038 54.6672 in (null):E-9999 (6) neighbor-bump: 3.0234 Ang CE2(37) at 0.149637 11.4575 57.0171 in (null):Y-9999 (5) and OE2(48) at 1.89633 10.7038 54.6672 in (null):E-9999 (6) Number of specific fragments= 1 total=3041 # 1bd3A.378.164 read from T0147_twice.t2k.frag # adding 1bd3A to template set 1bd3A:# found chain 1bd3A in template set T0147_twice 378 :GNPKYEIDV 1bd3A 166 :MCATAGSVC Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.95248 Ang CG(9) at 1.96604 100.423 46.8582 in (null):N-9999 (2) and CZ(38) at 1.73404 103.332 46.4107 in (null):Y-9999 (5) other bump:2.99248 Ang ND2(10) at 0.676319 100.614 47.0829 in (null):N-9999 (2) and CZ(38) at 1.73404 103.332 46.4107 in (null):Y-9999 (5) other bump:2.59604 Ang OD1(11) at 2.54219 100.92 45.891 in (null):N-9999 (2) and CZ(38) at 1.73404 103.332 46.4107 in (null):Y-9999 (5) other bump:2.2615 Ang CG(9) at 1.96604 100.423 46.8582 in (null):N-9999 (2) and CE2(37) at 0.820555 102.308 46.3621 in (null):Y-9999 (5) other bump:1.84668 Ang ND2(10) at 0.676319 100.614 47.0829 in (null):N-9999 (2) and CE2(37) at 0.820555 102.308 46.3621 in (null):Y-9999 (5) other bump:2.26127 Ang OD1(11) at 2.54219 100.92 45.891 in (null):N-9999 (2) and CE2(37) at 0.820555 102.308 46.3621 in (null):Y-9999 (5) other bump:2.82329 Ang OD1(11) at 2.54219 100.92 45.891 in (null):N-9999 (2) and CE1(36) at 2.50097 103.687 45.3298 in (null):Y-9999 (5) other bump:2.44816 Ang CG(9) at 1.96604 100.423 46.8582 in (null):N-9999 (2) and CD2(35) at 0.612309 101.594 45.1886 in (null):Y-9999 (5) other bump:2.13383 Ang ND2(10) at 0.676319 100.614 47.0829 in (null):N-9999 (2) and CD2(35) at 0.612309 101.594 45.1886 in (null):Y-9999 (5) other bump:2.16166 Ang OD1(11) at 2.54219 100.92 45.891 in (null):N-9999 (2) and CD2(35) at 0.612309 101.594 45.1886 in (null):Y-9999 (5) other bump:2.71722 Ang OD1(11) at 2.54219 100.92 45.891 in (null):N-9999 (2) and CD1(34) at 2.28121 102.967 44.123 in (null):Y-9999 (5) other bump:2.42937 Ang OD1(11) at 2.54219 100.92 45.891 in (null):N-9999 (2) and CG(33) at 1.34403 101.941 44.0406 in (null):Y-9999 (5) self-bump: 2.10348 Ang CA(15) at 6.643 100.184 44.955 in (null):P-9999 (3) and CG(17) at 7.60297 98.4603 44.2257 in (null):P-9999 (3) self-bump: 1.26336 Ang CA(15) at 6.643 100.184 44.955 in (null):P-9999 (3) and CB(16) at 7.83404 99.8663 44.6783 in (null):P-9999 (3) Number of specific fragments= 1 total=3042 # 1e55A.378.378 read from T0147_twice.t2k.frag # adding 1e55A to template set 1e55A:# found chain 1e55A in template set T0147_twice 378 :GNPKYEIDV 1e55A 379 :IYMYPEGLK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79074 Ang CB(23) at 31.5831 1.05273 43.4739 in (null):K-9999 (4) and CD1(56) at 30.7421 3.64237 42.8617 in (null):I-9999 (7) Number of specific fragments= 1 total=3043 # 2bnh.379.379 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 379 :NPKYEIDVK 2bnh 379 :NSGCSSLAS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38958 Ang O(8) at -13.138 45.952 1.994 in (null):N-9999 (1) and CE2(33) at -13.1066 45.0791 -0.230212 in (null):Y-9999 (4) other bump:3.07539 Ang CA(3) at -13.794 43.97 3.166 in (null):N-9999 (1) and CD2(31) at -12.2096 45.2154 0.842906 in (null):Y-9999 (4) other bump:1.65211 Ang O(8) at -13.138 45.952 1.994 in (null):N-9999 (1) and CD2(31) at -12.2096 45.2154 0.842906 in (null):Y-9999 (4) other bump:2.61434 Ang C(9) at -13.866 45.466 2.85 in (null):N-9999 (1) and CD2(31) at -12.2096 45.2154 0.842906 in (null):Y-9999 (4) neighbor-bump: 2.56237 Ang N(2) at -14.034 43.717 4.569 in (null):N-9999 (1) and CD(14) at -15.7861 45.5681 4.3055 in (null):P-9999 (2) Number of specific fragments= 1 total=3044 # 1e6yB.379.379 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 379 :NPKYEIDVK 1e6yB 2381 :RHSRGFAIP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46992 Ang CD(21) at 32.779 81.7772 45.2806 in (null):K-9999 (3) and OD1(59) at 33.1579 84.021 44.3204 in (null):D-9999 (7) other bump:2.7349 Ang CD(21) at 32.779 81.7772 45.2806 in (null):K-9999 (3) and CG(58) at 34.0847 84.1764 45.144 in (null):D-9999 (7) other bump:2.84176 Ang C(1) at 39.939 82.761 48.229 in (null):G-9999 (0) and CD(14) at 38.5281 80.4907 49.1938 in (null):P-9999 (2) neighbor-bump: 2.40184 Ang N(2) at 40.555 81.65 48.631 in (null):N-9999 (1) and CD(14) at 38.5281 80.4907 49.1938 in (null):P-9999 (2) Number of specific fragments= 1 total=3045 # 1e55A.379.379 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 379 :NPKYEIDVK 1e55A 380 :YMYPEGLKD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79074 Ang CB(19) at 31.5831 1.05273 43.4739 in (null):K-9999 (3) and CD1(52) at 30.7421 3.64237 42.8617 in (null):I-9999 (6) Number of specific fragments= 1 total=3046 # 1ej2A.379.124 read from T0147_twice.t2k.frag # found chain 1ej2A in template set T0147_twice 379 :NPKYEIDVK 1ej2A 125 :FYRDRYSGT Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38605 Ang CA(39) at 23.9 13.743 55.711 in (null):E-9999 (5) and CB(40) at 23.3376 12.6033 56.2642 in (null):E-9999 (5) neighbor-bump: 2.95571 Ang CE(22) at 20.9248 22.0097 57.0836 in (null):K-9999 (3) and CE1(32) at 22.3677 20.965 59.4421 in (null):Y-9999 (4) neighbor-bump: 1.85968 Ang OD1(7) at 15.8137 15.0129 52.5301 in (null):N-9999 (1) and CD(14) at 17.2278 15.5336 53.6198 in (null):P-9999 (2) neighbor-bump: 2.42973 Ang O(8) at 19.003 16.468 52.249 in (null):N-9999 (1) and CD(14) at 17.2278 15.5336 53.6198 in (null):P-9999 (2) neighbor-bump: 1.78968 Ang C(9) at 17.979 16.918 52.77 in (null):N-9999 (1) and CD(14) at 17.2278 15.5336 53.6198 in (null):P-9999 (2) self-bump: 2.22641 Ang CA(11) at 18.754 16.34 55.026 in (null):P-9999 (2) and CD(14) at 17.2278 15.5336 53.6198 in (null):P-9999 (2) Number of specific fragments= 1 total=3047 # 1a4yA.379.380 read from T0147_twice.t2k.frag # found chain 1a4yA in template set T0147_twice 379 :NPKYEIDVK 1a4yA 381 :VSDSSCSSL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52099 Ang O(24) at -4.335 8.187 52.108 in (null):K-9999 (3) and CG2(51) at -5.22629 8.84081 49.8423 in (null):I-9999 (6) neighbor-bump: 2.65813 Ang CD2(31) at -0.16519 10.3152 56.2996 in (null):Y-9999 (4) and OE2(44) at 1.89633 10.7038 54.6672 in (null):E-9999 (5) neighbor-bump: 3.02338 Ang CE2(33) at 0.149647 11.4575 57.0171 in (null):Y-9999 (4) and OE2(44) at 1.89633 10.7038 54.6672 in (null):E-9999 (5) Number of specific fragments= 1 total=3048 # 1g6sA.379.379 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 379 :NPKYEIDVK 1g6sA 380 :ATYNDHRMA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.92738 Ang ND2(6) at 69.5 -4.86492 36.004 in (null):N-9999 (1) and CE(22) at 67.7766 -4.99739 35.1513 in (null):K-9999 (3) other bump:3.00812 Ang CG(5) at 70.2042 -3.84998 36.5073 in (null):N-9999 (1) and CE(22) at 67.7766 -4.99739 35.1513 in (null):K-9999 (3) other bump:2.88453 Ang ND2(6) at 69.5 -4.86492 36.004 in (null):N-9999 (1) and CD(21) at 67.6101 -3.9877 34.0092 in (null):K-9999 (3) self-bump: 2.23287 Ang CA(11) at 69.863 0.451 36.623 in (null):P-9999 (2) and CD(14) at 72.0869 0.259564 36.68 in (null):P-9999 (2) self-bump: 2.11698 Ang CA(11) at 69.863 0.451 36.623 in (null):P-9999 (2) and CG(13) at 71.5771 1.68046 36.4448 in (null):P-9999 (2) Number of specific fragments= 1 total=3049 # 1e6yB.380.380 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 380 :PKYEIDVKA 1e6yB 2382 :HSRGFAIPC Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46993 Ang CD(13) at 32.779 81.7772 45.2806 in (null):K-9999 (2) and OD1(51) at 33.1579 84.021 44.3204 in (null):D-9999 (6) other bump:2.7349 Ang CD(13) at 32.779 81.7772 45.2806 in (null):K-9999 (2) and CG(50) at 34.0847 84.1764 45.144 in (null):D-9999 (6) Number of specific fragments= 1 total=3050 # 2bnh.380.380 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 380 :PKYEIDVKA 2bnh 380 :SGCSSLASL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38958 Ang O(0) at -13.138 45.952 1.994 in (null):G-9999 (0) and CE2(25) at -13.1066 45.0791 -0.230212 in (null):Y-9999 (3) other bump:1.65211 Ang O(0) at -13.138 45.952 1.994 in (null):G-9999 (0) and CD2(23) at -12.2096 45.2154 0.842906 in (null):Y-9999 (3) other bump:2.61434 Ang C(1) at -13.866 45.466 2.85 in (null):G-9999 (0) and CD2(23) at -12.2096 45.2154 0.842906 in (null):Y-9999 (3) Number of specific fragments= 1 total=3051 # 1e55A.380.380 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 380 :PKYEIDVKA 1e55A 381 :MYPEGLKDL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79074 Ang CB(11) at 31.5831 1.05273 43.4739 in (null):K-9999 (2) and CD1(44) at 30.7421 3.64237 42.8617 in (null):I-9999 (5) Number of specific fragments= 1 total=3052 # 1g6sA.380.380 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 380 :PKYEIDVKA 1g6sA 381 :TYNDHRMAM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.23287 Ang CA(3) at 69.863 0.451 36.623 in (null):P-9999 (1) and CD(6) at 72.0869 0.259571 36.68 in (null):P-9999 (1) self-bump: 2.11697 Ang CA(3) at 69.863 0.451 36.623 in (null):P-9999 (1) and CG(5) at 71.5771 1.68046 36.4448 in (null):P-9999 (1) Number of specific fragments= 1 total=3053 # 1a4yA.380.381 read from T0147_twice.t2k.frag # found chain 1a4yA in template set T0147_twice 380 :PKYEIDVKA 1a4yA 382 :SDSSCSSLA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52099 Ang O(16) at -4.335 8.187 52.108 in (null):K-9999 (2) and CG2(43) at -5.22629 8.84081 49.8423 in (null):I-9999 (5) neighbor-bump: 2.65812 Ang CD2(23) at -0.165183 10.3152 56.2996 in (null):Y-9999 (3) and OE2(36) at 1.89633 10.7038 54.6672 in (null):E-9999 (4) neighbor-bump: 3.02338 Ang CE2(25) at 0.149656 11.4575 57.0171 in (null):Y-9999 (3) and OE2(36) at 1.89633 10.7038 54.6672 in (null):E-9999 (4) Number of specific fragments= 1 total=3054 # 1fmk.380.380 read from T0147_twice.t2k.frag # adding 1fmk to template set 1fmk:Bad short name: P for alphabet: pdb_atoms Bad short name: O1P for alphabet: pdb_atoms Bad short name: O2P for alphabet: pdb_atoms Bad short name: O3P for alphabet: pdb_atoms # found chain 1fmk in template set T0147_twice 380 :PKYEIDVKA 1fmk 462 :PYPGMVNRE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.41573 Ang O(28) at 8.86 13.561 -13.239 in (null):Y-9999 (3) and CG(33) at 8.07248 13.2703 -15.5042 in (null):E-9999 (4) neighbor-bump: 2.76458 Ang C(29) at 8.436 12.454 -12.888 in (null):Y-9999 (3) and CG(33) at 8.07248 13.2703 -15.5042 in (null):E-9999 (4) neighbor-bump: 2.27335 Ang O(28) at 8.86 13.561 -13.239 in (null):Y-9999 (3) and CB(32) at 9.51563 12.8049 -15.2802 in (null):E-9999 (4) neighbor-bump: 2.6479 Ang C(29) at 8.436 12.454 -12.888 in (null):Y-9999 (3) and CB(32) at 9.51563 12.8049 -15.2802 in (null):E-9999 (4) Number of specific fragments= 1 total=3055 # 1e6yB.381.381 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 381 :KYEIDVKAV 1e6yB 2383 :SRGFAIPCV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77269 Ang CG(5) at 33.9987 81.0577 45.5904 in (null):K-9999 (1) and OD2(45) at 34.0351 83.735 46.3106 in (null):D-9999 (5) other bump:1.4021 Ang CD(6) at 33.6433 82.53 45.7102 in (null):K-9999 (1) and OD2(45) at 34.0351 83.735 46.3106 in (null):D-9999 (5) other bump:1.60486 Ang CE(7) at 32.9235 82.8213 47.0213 in (null):K-9999 (1) and OD2(45) at 34.0351 83.735 46.3106 in (null):D-9999 (5) other bump:2.09536 Ang CD(6) at 33.6433 82.53 45.7102 in (null):K-9999 (1) and OD1(44) at 33.1579 84.021 44.3204 in (null):D-9999 (5) other bump:1.79609 Ang CD(6) at 33.6433 82.53 45.7102 in (null):K-9999 (1) and CG(43) at 34.0847 84.1764 45.144 in (null):D-9999 (5) other bump:2.59011 Ang CE(7) at 32.9235 82.8213 47.0213 in (null):K-9999 (1) and CG(43) at 34.0847 84.1764 45.144 in (null):D-9999 (5) other bump:3.10053 Ang CD(6) at 33.6433 82.53 45.7102 in (null):K-9999 (1) and CB(42) at 35.3311 84.9366 44.7236 in (null):D-9999 (5) Number of specific fragments= 1 total=3056 # 2bnh.381.381 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 381 :KYEIDVKAV 2bnh 381 :GCSSLASLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3057 # 1e55A.381.381 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 381 :KYEIDVKAV 1e55A 382 :YPEGLKDLL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79075 Ang CB(4) at 31.5831 1.05273 43.4739 in (null):K-9999 (1) and CD1(37) at 30.7421 3.64237 42.8617 in (null):I-9999 (4) Number of specific fragments= 1 total=3058 # 1g6sA.381.381 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 381 :KYEIDVKAV 1g6sA 382 :YNDHRMAMC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3059 # 1fmk.381.381 read from T0147_twice.t2k.frag # found chain 1fmk in template set T0147_twice 381 :KYEIDVKAV 1fmk 463 :YPGMVNREV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.35087 Ang NZ(8) at 13.6304 12.349 -4.61014 in (null):K-9999 (1) and CG1(72) at 15.292 9.988 -6.311 in (null):V-9999 (9) neighbor-bump: 2.41574 Ang O(21) at 8.86 13.561 -13.239 in (null):Y-9999 (2) and CG(26) at 8.07248 13.2703 -15.5042 in (null):E-9999 (3) neighbor-bump: 2.76458 Ang C(22) at 8.436 12.454 -12.888 in (null):Y-9999 (2) and CG(26) at 8.07248 13.2703 -15.5042 in (null):E-9999 (3) neighbor-bump: 2.27335 Ang O(21) at 8.86 13.561 -13.239 in (null):Y-9999 (2) and CB(25) at 9.51563 12.8049 -15.2802 in (null):E-9999 (3) neighbor-bump: 2.6479 Ang C(22) at 8.436 12.454 -12.888 in (null):Y-9999 (2) and CB(25) at 9.51563 12.8049 -15.2802 in (null):E-9999 (3) Number of specific fragments= 1 total=3060 # 1a4yA.381.382 read from T0147_twice.t2k.frag # found chain 1a4yA in template set T0147_twice 381 :KYEIDVKAV 1a4yA 383 :DSSCSSLAA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52099 Ang O(9) at -4.335 8.187 52.108 in (null):K-9999 (1) and CG2(36) at -5.22629 8.84081 49.8423 in (null):I-9999 (4) neighbor-bump: 2.65814 Ang CD2(16) at -0.165195 10.3152 56.2996 in (null):Y-9999 (2) and OE2(29) at 1.89633 10.7038 54.6672 in (null):E-9999 (3) neighbor-bump: 3.02339 Ang CE2(18) at 0.149641 11.4575 57.0171 in (null):Y-9999 (2) and OE2(29) at 1.89633 10.7038 54.6672 in (null):E-9999 (3) Number of specific fragments= 1 total=3061 # 1e6yB.382.382 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 382 :YEIDVKAVA 1e6yB 2384 :RGFAIPCVC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3062 # 1e55A.382.382 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 382 :YEIDVKAVA 1e55A 383 :PEGLKDLLM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3063 # 2bnh.382.382 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 382 :YEIDVKAVA 2bnh 382 :CSSLASLLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3064 # 1fmk.382.382 read from T0147_twice.t2k.frag # found chain 1fmk in template set T0147_twice 382 :YEIDVKAVA 1fmk 464 :PGMVNREVL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.41574 Ang O(12) at 8.86 13.561 -13.239 in (null):Y-9999 (1) and CG(17) at 8.07248 13.2703 -15.5042 in (null):E-9999 (2) neighbor-bump: 2.76458 Ang C(13) at 8.436 12.454 -12.888 in (null):Y-9999 (1) and CG(17) at 8.07248 13.2703 -15.5042 in (null):E-9999 (2) neighbor-bump: 2.27335 Ang O(12) at 8.86 13.561 -13.239 in (null):Y-9999 (1) and CB(16) at 9.51563 12.8049 -15.2802 in (null):E-9999 (2) neighbor-bump: 2.6479 Ang C(13) at 8.436 12.454 -12.888 in (null):Y-9999 (1) and CB(16) at 9.51563 12.8049 -15.2802 in (null):E-9999 (2) Number of specific fragments= 1 total=3065 # 1g6sA.382.382 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 382 :YEIDVKAVA 1g6sA 383 :NDHRMAMCF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3066 # 1a4yA.382.383 read from T0147_twice.t2k.frag # found chain 1a4yA in template set T0147_twice 382 :YEIDVKAVA 1a4yA 384 :SSCSSLAAT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52099 Ang O(0) at -4.335 8.187 52.108 in (null):G-9999 (0) and CG2(27) at -5.22629 8.84081 49.8423 in (null):I-9999 (3) neighbor-bump: 2.49019 Ang CD2(7) at 0.00991726 10.07 56.1642 in (null):Y-9999 (1) and OE2(20) at 1.89633 10.7038 54.6672 in (null):E-9999 (2) neighbor-bump: 2.64701 Ang CE2(9) at 0.559814 11.0853 56.92 in (null):Y-9999 (1) and OE2(20) at 1.89633 10.7038 54.6672 in (null):E-9999 (2) Number of specific fragments= 1 total=3067 # 1e55A.383.383 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 383 :EIDVKAVAE 1e55A 384 :EGLKDLLMI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3068 # 1e6yB.383.383 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 383 :EIDVKAVAE 1e6yB 2385 :GFAIPCVCA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3069 # 2bnh.383.383 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 383 :EIDVKAVAE 2bnh 383 :SSLASLLLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3070 # 1fmk.383.383 read from T0147_twice.t2k.frag # found chain 1fmk in template set T0147_twice 383 :EIDVKAVAE 1fmk 465 :GMVNREVLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3071 # 1g6sA.383.383 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 383 :EIDVKAVAE 1g6sA 384 :DHRMAMCFS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3072 # 1e55A.383.384 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 383 :EIDVKAVAE 1e55A 385 :GLKDLLMIM Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6489 Ang CG(37) at 21.796 6.49794 40.1765 in (null):K-9999 (5) and OE2(66) at 19.566 7.90385 39.9173 in (null):E-9999 (9) other bump:2.1826 Ang C(42) at 20.414 6.554 42.876 in (null):K-9999 (5) and OE1(65) at 18.64 7.13419 41.7446 in (null):E-9999 (9) other bump:2.65894 Ang CA(44) at 18.572 5.097 43.452 in (null):A-9999 (6) and OE1(65) at 18.64 7.13419 41.7446 in (null):E-9999 (9) other bump:1.38847 Ang O(41) at 19.653 7.485 42.627 in (null):K-9999 (5) and OE1(65) at 18.64 7.13419 41.7446 in (null):E-9999 (9) other bump:3.12235 Ang C(42) at 20.414 6.554 42.876 in (null):K-9999 (5) and CD(64) at 18.5683 7.71379 40.6405 in (null):E-9999 (9) other bump:2.27486 Ang O(41) at 19.653 7.485 42.627 in (null):K-9999 (5) and CD(64) at 18.5683 7.71379 40.6405 in (null):E-9999 (9) Number of specific fragments= 1 total=3073 # 1e55A.384.384 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 384 :IDVKAVAEA 1e55A 385 :GLKDLLMIM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3074 # 1e6yB.384.384 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 384 :IDVKAVAEA 1e6yB 2386 :FAIPCVCAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3075 # 2bnh.384.384 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 384 :IDVKAVAEA 2bnh 384 :SLASLLLAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3076 # 1fmk.384.384 read from T0147_twice.t2k.frag # found chain 1fmk in template set T0147_twice 384 :IDVKAVAEA 1fmk 466 :MVNREVLDQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91094 Ang CG1(5) at 12.6964 10.7441 -10.5062 in (null):I-9999 (1) and CG2(43) at 14.422 9.421 -8.571 in (null):V-9999 (6) other bump:2.27805 Ang CD1(7) at 13.4032 11.3351 -9.26931 in (null):I-9999 (1) and CG2(43) at 14.422 9.421 -8.571 in (null):V-9999 (6) Number of specific fragments= 1 total=3077 # 1g6sA.384.384 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 384 :IDVKAVAEA 1g6sA 385 :HRMAMCFSL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3078 # 1e55A.384.385 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 384 :IDVKAVAEA 1e55A 386 :LKDLLMIMK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6489 Ang CG(28) at 21.796 6.49795 40.1765 in (null):K-9999 (4) and OE2(57) at 19.566 7.90386 39.9173 in (null):E-9999 (8) other bump:2.1826 Ang C(33) at 20.414 6.554 42.876 in (null):K-9999 (4) and OE1(56) at 18.64 7.13419 41.7446 in (null):E-9999 (8) other bump:2.65894 Ang CA(35) at 18.572 5.097 43.452 in (null):A-9999 (5) and OE1(56) at 18.64 7.13419 41.7446 in (null):E-9999 (8) other bump:1.38847 Ang O(32) at 19.653 7.485 42.627 in (null):K-9999 (4) and OE1(56) at 18.64 7.13419 41.7446 in (null):E-9999 (8) other bump:3.12236 Ang C(33) at 20.414 6.554 42.876 in (null):K-9999 (4) and CD(55) at 18.5683 7.7138 40.6405 in (null):E-9999 (8) other bump:2.27487 Ang O(32) at 19.653 7.485 42.627 in (null):K-9999 (4) and CD(55) at 18.5683 7.7138 40.6405 in (null):E-9999 (8) Number of specific fragments= 1 total=3079 # 1e55A.385.385 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 385 :DVKAVAEAA 1e55A 386 :LKDLLMIMK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3080 # 1e6yB.385.385 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 385 :DVKAVAEAA 1e6yB 2387 :AIPCVCAAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3081 # 1e55A.385.386 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 385 :DVKAVAEAA 1e55A 387 :KDLLMIMKN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64891 Ang CG(20) at 21.796 6.49794 40.1765 in (null):K-9999 (3) and OE2(49) at 19.566 7.90386 39.9173 in (null):E-9999 (7) other bump:2.65894 Ang CA(27) at 18.572 5.097 43.452 in (null):A-9999 (4) and OE1(48) at 18.64 7.13419 41.7446 in (null):E-9999 (7) other bump:1.38847 Ang O(24) at 19.653 7.485 42.627 in (null):K-9999 (3) and OE1(48) at 18.64 7.13419 41.7446 in (null):E-9999 (7) other bump:2.1826 Ang C(25) at 20.414 6.554 42.876 in (null):K-9999 (3) and OE1(48) at 18.64 7.13419 41.7446 in (null):E-9999 (7) other bump:2.27487 Ang O(24) at 19.653 7.485 42.627 in (null):K-9999 (3) and CD(47) at 18.5683 7.7138 40.6405 in (null):E-9999 (7) other bump:3.12236 Ang C(25) at 20.414 6.554 42.876 in (null):K-9999 (3) and CD(47) at 18.5683 7.7138 40.6405 in (null):E-9999 (7) Number of specific fragments= 1 total=3082 # 2bnh.385.385 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 385 :DVKAVAEAA 2bnh 385 :LASLLLANR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3083 # 1g6sA.385.385 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 385 :DVKAVAEAA 1g6sA 386 :RMAMCFSLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3084 # 1a4yA.385.386 read from T0147_twice.t2k.frag # found chain 1a4yA in template set T0147_twice 385 :DVKAVAEAA 1a4yA 387 :SSLAATLLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3085 # 1e55A.386.386 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 386 :VKAVAEAAA 1e55A 387 :KDLLMIMKN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3086 # 1e6yB.386.386 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 386 :VKAVAEAAA 1e6yB 2388 :IPCVCAAVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3087 # 1g6sA.386.386 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 386 :VKAVAEAAA 1g6sA 387 :MAMCFSLVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3088 # 1e55A.386.387 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 386 :VKAVAEAAA 1e55A 388 :DLLMIMKNK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6489 Ang CG(12) at 21.796 6.49794 40.1765 in (null):K-9999 (2) and OE2(41) at 19.566 7.90386 39.9173 in (null):E-9999 (6) other bump:1.38847 Ang O(16) at 19.653 7.485 42.627 in (null):K-9999 (2) and OE1(40) at 18.64 7.13419 41.7446 in (null):E-9999 (6) other bump:2.1826 Ang C(17) at 20.414 6.554 42.876 in (null):K-9999 (2) and OE1(40) at 18.64 7.13419 41.7446 in (null):E-9999 (6) other bump:2.65894 Ang CA(19) at 18.572 5.097 43.452 in (null):A-9999 (3) and OE1(40) at 18.64 7.13419 41.7446 in (null):E-9999 (6) other bump:2.27487 Ang O(16) at 19.653 7.485 42.627 in (null):K-9999 (2) and CD(39) at 18.5683 7.7138 40.6405 in (null):E-9999 (6) other bump:3.12236 Ang C(17) at 20.414 6.554 42.876 in (null):K-9999 (2) and CD(39) at 18.5683 7.7138 40.6405 in (null):E-9999 (6) Number of specific fragments= 1 total=3089 # 1a4yA.386.387 read from T0147_twice.t2k.frag # found chain 1a4yA in template set T0147_twice 386 :VKAVAEAAA 1a4yA 388 :SLAATLLAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3090 # 2bnh.386.386 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 386 :VKAVAEAAA 2bnh 386 :ASLLLANRS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3091 # 1e55A.387.387 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 387 :KAVAEAAAK 1e55A 388 :DLLMIMKNK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3092 # 1e55A.387.388 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 387 :KAVAEAAAK 1e55A 389 :LLMIMKNKY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86608 Ang CG(5) at 21.6 5.91812 40.2835 in (null):K-9999 (1) and OE2(34) at 19.566 7.90386 39.9173 in (null):E-9999 (5) other bump:2.65894 Ang CA(12) at 18.572 5.097 43.452 in (null):A-9999 (2) and OE1(33) at 18.64 7.13419 41.7446 in (null):E-9999 (5) other bump:2.1826 Ang C(10) at 20.414 6.554 42.876 in (null):K-9999 (1) and OE1(33) at 18.64 7.13419 41.7446 in (null):E-9999 (5) other bump:1.38847 Ang O(9) at 19.653 7.485 42.627 in (null):K-9999 (1) and OE1(33) at 18.64 7.13419 41.7446 in (null):E-9999 (5) other bump:3.12236 Ang C(10) at 20.414 6.554 42.876 in (null):K-9999 (1) and CD(32) at 18.5683 7.7138 40.6405 in (null):E-9999 (5) other bump:2.27487 Ang O(9) at 19.653 7.485 42.627 in (null):K-9999 (1) and CD(32) at 18.5683 7.7138 40.6405 in (null):E-9999 (5) Number of specific fragments= 1 total=3093 # 1g6sA.387.387 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 387 :KAVAEAAAK 1g6sA 388 :AMCFSLVAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3094 # 1e6yB.387.387 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 387 :KAVAEAAAK 1e6yB 2389 :PCVCAAVAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3095 # 1a4yA.387.388 read from T0147_twice.t2k.frag # found chain 1a4yA in template set T0147_twice 387 :KAVAEAAAK 1a4yA 389 :LAATLLANH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3096 # 1kkoA.387.342 read from T0147_twice.t2k.frag # adding 1kkoA to template set 1kkoA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # found chain 1kkoA in template set T0147_twice 387 :KAVAEAAAK 1kkoA 343 :DAVLYCNKH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.85488 Ang OE2(34) at -46.3713 -122.328 -58.1876 in (null):E-9999 (5) and NZ(58) at -45.0404 -121.644 -57.0913 in (null):K-9999 (9) other bump:2.63763 Ang CD(32) at -45.9665 -123.053 -59.1198 in (null):E-9999 (5) and NZ(58) at -45.0404 -121.644 -57.0913 in (null):K-9999 (9) other bump:2.67703 Ang OE2(34) at -46.3713 -122.328 -58.1876 in (null):E-9999 (5) and CD(56) at -45.4498 -119.869 -58.7081 in (null):K-9999 (9) Number of specific fragments= 1 total=3097 # 1e55A.388.388 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 388 :AVAEAAAKH 1e55A 389 :LLMIMKNKY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3098 # 1g6sA.388.388 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 388 :AVAEAAAKH 1g6sA 389 :MCFSLVALS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08707 Ang CA(34) at 67.662 3.764 49.873 in (null):A-9999 (6) and ND1(57) at 67.0433 3.58297 52.892 in (null):H-9999 (9) other bump:1.80633 Ang O(36) at 68.635 3.838 52.077 in (null):A-9999 (6) and ND1(57) at 67.0433 3.58297 52.892 in (null):H-9999 (9) other bump:2.65136 Ang C(37) at 68.671 4.284 50.92 in (null):A-9999 (6) and ND1(57) at 67.0433 3.58297 52.892 in (null):H-9999 (9) Number of specific fragments= 1 total=3099 # 1e55A.388.389 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 388 :AVAEAAAKH 1e55A 390 :LMIMKNKYG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.38847 Ang O(0) at 19.653 7.485 42.627 in (null):G-9999 (0) and OE1(24) at 18.64 7.13419 41.7446 in (null):E-9999 (4) other bump:2.1826 Ang C(1) at 20.414 6.554 42.876 in (null):G-9999 (0) and OE1(24) at 18.64 7.13419 41.7446 in (null):E-9999 (4) other bump:2.65894 Ang CA(3) at 18.572 5.097 43.452 in (null):A-9999 (1) and OE1(24) at 18.64 7.13419 41.7446 in (null):E-9999 (4) other bump:2.27487 Ang O(0) at 19.653 7.485 42.627 in (null):G-9999 (0) and CD(23) at 18.5683 7.7138 40.6405 in (null):E-9999 (4) other bump:3.12236 Ang C(1) at 20.414 6.554 42.876 in (null):G-9999 (0) and CD(23) at 18.5683 7.7138 40.6405 in (null):E-9999 (4) Number of specific fragments= 1 total=3100 # 1e6yB.388.388 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 388 :AVAEAAAKH 1e6yB 2390 :CVCAAVALD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3101 # 1a4yA.388.389 read from T0147_twice.t2k.frag # found chain 1a4yA in template set T0147_twice 388 :AVAEAAAKH 1a4yA 390 :AATLLANHS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3102 # 1a53.388.216 read from T0147_twice.t2k.frag # found chain 1a53 in training set T0147_twice 388 :AVAEAAAKH 1a53 218 :EIEELRKLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3103 # 1a4yA.389.390 read from T0147_twice.t2k.frag # found chain 1a4yA in template set T0147_twice 389 :VAEAAAKHQ 1a4yA 391 :ATLLANHSL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3104 # 1g6sA.389.389 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 389 :VAEAAAKHQ 1g6sA 390 :CFSLVALSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3105 # 1e55A.389.389 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 389 :VAEAAAKHQ 1e55A 390 :LMIMKNKYG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3106 # 1e55A.389.390 read from T0147_twice.t2k.frag # found chain 1e55A in template set T0147_twice 389 :VAEAAAKHQ 1e55A 391 :MIMKNKYGN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65671 Ang CA(24) at 13.923 8.447 45.147 in (null):A-9999 (4) and CG(60) at 11.2858 8.43019 45.4676 in (null):Q-9999 (9) other bump:2.2098 Ang O(26) at 12.505 10.215 45.927 in (null):A-9999 (4) and CG(60) at 11.2858 8.43019 45.4676 in (null):Q-9999 (9) other bump:2.71891 Ang C(27) at 13.632 9.725 45.927 in (null):A-9999 (4) and CG(60) at 11.2858 8.43019 45.4676 in (null):Q-9999 (9) Number of specific fragments= 1 total=3107 # 1a53.389.217 read from T0147_twice.t2k.frag # found chain 1a53 in training set T0147_twice 389 :VAEAAAKHQ 1a53 219 :IEELRKLGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3108 # 1e6yB.389.389 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 389 :VAEAAAKHQ 1e6yB 2391 :VCAAVALDA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3109 # 1a4yA.390.391 read from T0147_twice.t2k.frag # found chain 1a4yA in template set T0147_twice 390 :AEAAAKHQV 1a4yA 392 :TLLANHSLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3110 # 1a53.390.218 read from T0147_twice.t2k.frag # found chain 1a53 in training set T0147_twice 390 :AEAAAKHQV 1a53 220 :EELRKLGVN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82046 Ang CB(18) at -0.832 -12.704 21.326 in (null):A-9999 (3) and NE2(56) at -1.79689 -11.339 23.5977 in (null):Q-9999 (8) Number of specific fragments= 1 total=3111 # 1g6sA.390.390 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 390 :AEAAAKHQV 1g6sA 391 :FSLVALSDT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3112 # 1igs.390.219 read from T0147_twice.t2k.frag # found chain 1igs in template set T0147_twice 390 :AEAAAKHQV 1igs 220 :EELRKLGVN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77871 Ang CB(18) at -0.691 -12.606 21.397 in (null):A-9999 (3) and NE2(56) at -1.69401 -11.1555 23.5444 in (null):Q-9999 (8) Number of specific fragments= 1 total=3113 # 1juk.390.219 read from T0147_twice.t2k.frag # found chain 1juk in template set T0147_twice 390 :AEAAAKHQV 1juk 220 :EELRKLGVN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78575 Ang CB(18) at 23.03 41.309 24.278 in (null):A-9999 (3) and NE2(56) at 20.645 41.9182 22.9737 in (null):Q-9999 (8) Number of specific fragments= 1 total=3114 # 1e6yB.390.390 read from T0147_twice.t2k.frag # found chain 1e6yB in template set T0147_twice 390 :AEAAAKHQV 1e6yB 2392 :CAAVALDAG Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45983 Ang CE1(46) at 38.3339 103.701 48.6545 in (null):H-9999 (7) and CA(67) at 38.064 104.872 50.801 in (null):G-9999 (10) other bump:2.78326 Ang NE2(47) at 37.5935 102.713 49.1086 in (null):H-9999 (7) and CA(67) at 38.064 104.872 50.801 in (null):G-9999 (10) other bump:2.70171 Ang ND1(45) at 38.5838 103.495 47.3615 in (null):H-9999 (7) and N(66) at 38.538 105.198 49.458 in (null):G-9999 (10) other bump:1.71097 Ang CE1(46) at 38.3339 103.701 48.6545 in (null):H-9999 (7) and N(66) at 38.538 105.198 49.458 in (null):G-9999 (10) other bump:2.82739 Ang CE1(46) at 38.3339 103.701 48.6545 in (null):H-9999 (7) and C(65) at 39.07 106.383 49.165 in (null):V-9999 (9) neighbor-bump: 1.72586 Ang O(57) at 38.65 108.073 45.554 in (null):Q-9999 (8) and CG2(63) at 40.3589 108.156 45.7805 in (null):V-9999 (9) neighbor-bump: 2.45831 Ang C(58) at 38.235 106.922 45.679 in (null):Q-9999 (8) and CG2(63) at 40.3589 108.156 45.7805 in (null):V-9999 (9) neighbor-bump: 1.73406 Ang O(57) at 38.65 108.073 45.554 in (null):Q-9999 (8) and CB(61) at 39.5055 108.203 47.0567 in (null):V-9999 (9) neighbor-bump: 2.27034 Ang C(58) at 38.235 106.922 45.679 in (null):Q-9999 (8) and CB(61) at 39.5055 108.203 47.0567 in (null):V-9999 (9) Number of specific fragments= 1 total=3115 # 1a4yA.391.392 read from T0147_twice.t2k.frag # found chain 1a4yA in template set T0147_twice 391 :EAAAKHQVA 1a4yA 393 :LLANHSLRE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3116 # 1a53.391.219 read from T0147_twice.t2k.frag # found chain 1a53 in training set T0147_twice 391 :EAAAKHQVA 1a53 221 :ELRKLGVNA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82046 Ang CB(13) at -0.832 -12.704 21.326 in (null):A-9999 (2) and NE2(51) at -1.79689 -11.339 23.5977 in (null):Q-9999 (7) Number of specific fragments= 1 total=3117 # 1igs.391.220 read from T0147_twice.t2k.frag # found chain 1igs in template set T0147_twice 391 :EAAAKHQVA 1igs 221 :ELRKLGVNA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77871 Ang CB(13) at -0.691 -12.606 21.397 in (null):A-9999 (2) and NE2(51) at -1.69401 -11.1555 23.5444 in (null):Q-9999 (7) Number of specific fragments= 1 total=3118 # 1juk.391.220 read from T0147_twice.t2k.frag # found chain 1juk in template set T0147_twice 391 :EAAAKHQVA 1juk 221 :ELRKLGVNA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78575 Ang CB(13) at 23.03 41.309 24.278 in (null):A-9999 (2) and NE2(51) at 20.645 41.9182 22.9737 in (null):Q-9999 (7) Number of specific fragments= 1 total=3119 # 1g6sA.391.391 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 391 :EAAAKHQVA 1g6sA 392 :SLVALSDTP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3120 # 1g6hA.391.197 read from T0147_twice.t2k.frag # adding 1g6hA to template set 1g6hA:Skipped atom 1160, because occupancy 0.5 <= existing 0.500001 Skipped atom 1162, because occupancy 0.5 <= existing 0.500001 Skipped atom 1164, because occupancy 0.5 <= existing 0.500001 Skipped atom 1166, because occupancy 0.5 <= existing 0.500001 Skipped atom 1333, because occupancy 0.5 <= existing 0.500001 Skipped atom 1335, because occupancy 0.5 <= existing 0.500001 Skipped atom 1337, because occupancy 0.5 <= existing 0.500001 Skipped atom 1339, because occupancy 0.5 <= existing 0.500001 # found chain 1g6hA in template set T0147_twice 391 :EAAAKHQVA 1g6hA 198 :ELKAKGITF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.33753 Ang CB(13) at 39.773 13.577 27.89 in (null):A-9999 (2) and OE1(50) at 39.7659 14.1894 30.1459 in (null):Q-9999 (7) Number of specific fragments= 1 total=3121 # 1a4yA.392.393 read from T0147_twice.t2k.frag # found chain 1a4yA in template set T0147_twice 392 :AAAKHQVAL 1a4yA 394 :LANHSLREL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3122 # 1a53.392.220 read from T0147_twice.t2k.frag # found chain 1a53 in training set T0147_twice 392 :AAAKHQVAL 1a53 222 :LRKLGVNAF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82046 Ang CB(4) at -0.832 -12.704 21.326 in (null):A-9999 (1) and NE2(42) at -1.79689 -11.339 23.5977 in (null):Q-9999 (6) Number of specific fragments= 1 total=3123 # 1jndA.392.382 read from T0147_twice.t2k.frag # adding 1jndA to template set 1jndA:# found chain 1jndA in template set T0147_twice 392 :AAAKHQVAL 1jndA 383 :ARVKNLGGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3124 # 1g6hA.392.198 read from T0147_twice.t2k.frag # found chain 1g6hA in template set T0147_twice 392 :AAAKHQVAL 1g6hA 199 :LKAKGITFL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.33753 Ang CB(4) at 39.773 13.577 27.89 in (null):A-9999 (1) and OE1(41) at 39.7659 14.1894 30.1459 in (null):Q-9999 (6) Number of specific fragments= 1 total=3125 # 1igs.392.221 read from T0147_twice.t2k.frag # found chain 1igs in template set T0147_twice 392 :AAAKHQVAL 1igs 222 :LRKLGVNAF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77871 Ang CB(4) at -0.691 -12.606 21.397 in (null):A-9999 (1) and NE2(42) at -1.69401 -11.1555 23.5444 in (null):Q-9999 (6) Number of specific fragments= 1 total=3126 # 1juk.392.221 read from T0147_twice.t2k.frag # found chain 1juk in template set T0147_twice 392 :AAAKHQVAL 1juk 222 :LRKLGVNAF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78575 Ang CB(4) at 23.03 41.309 24.278 in (null):A-9999 (1) and NE2(42) at 20.645 41.9182 22.9737 in (null):Q-9999 (6) Number of specific fragments= 1 total=3127 # 1a4yA.393.394 read from T0147_twice.t2k.frag # found chain 1a4yA in template set T0147_twice 393 :AAKHQVALE 1a4yA 395 :ANHSLRELD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3128 # 1jndA.393.383 read from T0147_twice.t2k.frag # found chain 1jndA in template set T0147_twice 393 :AAKHQVALE 1jndA 384 :RVKNLGGVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3129 # 1h70A.393.226 read from T0147_twice.t2k.frag # found chain 1h70A in template set T0147_twice 393 :AAKHQVALE 1h70A 226 :ARLGYRVIE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.53147 Ang O(19) at 3.621 6.972 27.457 in (null):K-9999 (3) and CG(24) at 3.27745 7.48996 29.911 in (null):H-9999 (4) Number of specific fragments= 1 total=3130 # 1iciA.393.211 read from T0147_twice.t2k.frag # adding 1iciA to template set 1iciA:# found chain 1iciA in template set T0147_twice 393 :AAKHQVALE 1iciA 201 :KQRGGAIIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3131 # 1a53.393.221 read from T0147_twice.t2k.frag # found chain 1a53 in training set T0147_twice 393 :AAKHQVALE 1a53 223 :RKLGVNAFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3132 # 1g6sA.393.393 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 393 :AAKHQVALE 1g6sA 394 :VALSDTPVT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82129 Ang CA(3) at 67.662 3.764 49.873 in (null):A-9999 (1) and CD1(56) at 69.7875 2.51182 48.504 in (null):L-9999 (8) other bump:1.68883 Ang CB(4) at 68.223 2.521 49.14 in (null):A-9999 (1) and CD1(56) at 69.7875 2.51182 48.504 in (null):L-9999 (8) other bump:2.87736 Ang CB(4) at 68.223 2.521 49.14 in (null):A-9999 (1) and CG(55) at 71.0142 1.82367 49.0928 in (null):L-9999 (8) Number of specific fragments= 1 total=3133 # 1a4yA.394.395 read from T0147_twice.t2k.frag # found chain 1a4yA in template set T0147_twice 394 :AKHQVALEI 1a4yA 396 :NHSLRELDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3134 # 1iicA.394.356 read from T0147_twice.t2k.frag # adding 1iicA to template set 1iicA:# found chain 1iicA in template set T0147_twice 394 :AKHQVALEI 1iicA 390 :NANMDVFNA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3135 # 1h70A.394.227 read from T0147_twice.t2k.frag # found chain 1h70A in template set T0147_twice 394 :AKHQVALEI 1h70A 227 :RLGYRVIEV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.53147 Ang O(14) at 3.621 6.972 27.457 in (null):K-9999 (2) and CG(19) at 3.27745 7.48996 29.911 in (null):H-9999 (3) Number of specific fragments= 1 total=3136 # 1jndA.394.384 read from T0147_twice.t2k.frag # found chain 1jndA in template set T0147_twice 394 :AKHQVALEI 1jndA 385 :VKNLGGVAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3137 # 1d0iA.394.96 read from T0147_twice.t2k.frag # adding 1d0iA to template set 1d0iA:Skipped atom 14, because occupancy 0.5 <= existing 0.500001 Skipped atom 16, because occupancy 0.5 <= existing 0.500001 Skipped atom 18, because occupancy 0.5 <= existing 0.500001 Skipped atom 20, because occupancy 0.5 <= existing 0.500001 Skipped atom 22, because occupancy 0.5 <= existing 0.500001 Skipped atom 24, because occupancy 0.5 <= existing 0.500001 Skipped atom 78, because occupancy 0.5 <= existing 0.500001 Skipped atom 80, because occupancy 0.5 <= existing 0.500001 Skipped atom 82, because occupancy 0.5 <= existing 0.500001 Skipped atom 536, because occupancy 0.5 <= existing 0.500001 Skipped atom 538, because occupancy 0.5 <= existing 0.500001 Skipped atom 540, because occupancy 0.5 <= existing 0.500001 Skipped atom 542, because occupancy 0.5 <= existing 0.500001 Skipped atom 544, because occupancy 0.5 <= existing 0.500001 Skipped atom 546, because occupancy 0.5 <= existing 0.500001 Skipped atom 1095, because occupancy 0.5 <= existing 0.500001 Skipped atom 1097, because occupancy 0.5 <= existing 0.500001 Skipped atom 1099, because occupancy 0.5 <= existing 0.500001 Skipped atom 1101, because occupancy 0.5 <= existing 0.500001 Skipped atom 1108, because occupancy 0.5 <= existing 0.500001 Skipped atom 1110, because occupancy 0.5 <= existing 0.500001 Skipped atom 1112, because occupancy 0.5 <= existing 0.500001 Skipped atom 1114, because occupancy 0.5 <= existing 0.500001 Skipped atom 1116, because occupancy 0.5 <= existing 0.500001 Skipped atom 1118, because occupancy 0.5 <= existing 0.500001 # found chain 1d0iA in template set T0147_twice 394 :AKHQVALEI 1d0iA 97 :CDGLPVVEV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3138 # 1eokA.394.201 read from T0147_twice.t2k.frag # found chain 1eokA in training set T0147_twice 394 :AKHQVALEI 1eokA 202 :RNNFNYIQL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.93357 Ang CB(28) at -17.3187 77.1624 -0.710858 in (null):Q-9999 (4) and CD2(52) at -18.4408 75.2887 1.24771 in (null):L-9999 (7) other bump:3.0856 Ang CG(29) at -18.4353 78.0518 -0.125645 in (null):Q-9999 (4) and CD2(52) at -18.4408 75.2887 1.24771 in (null):L-9999 (7) self-bump: 1.39863 Ang CA(36) at -13.038 76.771 -2.474 in (null):V-9999 (5) and CB(37) at -11.738 77.2869 -2.46757 in (null):V-9999 (5) Number of specific fragments= 1 total=3139 # 1iicA.395.357 read from T0147_twice.t2k.frag # found chain 1iicA in template set T0147_twice 395 :KHQVALEIN 1iicA 391 :ANMDVFNAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3140 # 1d0iA.395.97 read from T0147_twice.t2k.frag # found chain 1d0iA in template set T0147_twice 395 :KHQVALEIN 1d0iA 98 :DGLPVVEVH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3141 # 1iciA.395.213 read from T0147_twice.t2k.frag # found chain 1iciA in template set T0147_twice 395 :KHQVALEIN 1iciA 203 :RGGAIIEIN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3142 # 1h70A.395.228 read from T0147_twice.t2k.frag # found chain 1h70A in template set T0147_twice 395 :KHQVALEIN 1h70A 228 :LGYRVIEVD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.53148 Ang O(9) at 3.621 6.972 27.457 in (null):K-9999 (1) and CG(14) at 3.27745 7.48996 29.911 in (null):H-9999 (2) Number of specific fragments= 1 total=3143 # 1a4yA.395.396 read from T0147_twice.t2k.frag # found chain 1a4yA in template set T0147_twice 395 :KHQVALEIN 1a4yA 397 :HSLRELDLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.33587 Ang CG(53) at 6.64851 2.34503 40.5145 in (null):E-9999 (7) and OD1(72) at 5.54077 0.289208 40.5676 in (null):N-9999 (9) other bump:2.96362 Ang CD2(47) at 2.139 9.526 41.419 in (null):L-9999 (6) and CD1(64) at 1.59142 7.08501 43.0079 in (null):I-9999 (8) Number of specific fragments= 1 total=3144 # 1jndA.395.385 read from T0147_twice.t2k.frag # found chain 1jndA in template set T0147_twice 395 :KHQVALEIN 1jndA 386 :KNLGGVALF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3145 # 1d0iA.396.98 read from T0147_twice.t2k.frag # found chain 1d0iA in template set T0147_twice 396 :HQVALEINN 1d0iA 99 :GLPVVEVHI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34193 Ang CA(67) at 26.022 56.678 11.236 in (null):N-9999 (9) and CB(68) at 25.914 56.9298 9.92234 in (null):N-9999 (9) Number of specific fragments= 1 total=3146 # 1h70A.396.229 read from T0147_twice.t2k.frag # found chain 1h70A in template set T0147_twice 396 :HQVALEINN 1h70A 229 :GYRVIEVDT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.07823 Ang O(0) at 3.621 6.972 27.457 in (null):G-9999 (0) and CD2(6) at 2.26977 6.82436 29.0291 in (null):H-9999 (1) neighbor-bump: 2.26305 Ang O(0) at 3.621 6.972 27.457 in (null):G-9999 (0) and CG(5) at 3.27988 7.51303 29.6278 in (null):H-9999 (1) neighbor-bump: 2.79542 Ang C(1) at 4.104 8.014 27.004 in (null):G-9999 (0) and CG(5) at 3.27988 7.51303 29.6278 in (null):H-9999 (1) Number of specific fragments= 1 total=3147 # 1iciA.396.214 read from T0147_twice.t2k.frag # found chain 1iciA in template set T0147_twice 396 :HQVALEINN 1iciA 204 :GGAIIEINP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3148 # 1e70M.396.400 read from T0147_twice.t2k.frag # adding 1e70M to template set 1e70M:Skipped atom 136, because occupancy 0.3 <= existing 0.700001 Skipped atom 137, because occupancy 0.3 <= existing 0.700001 Skipped atom 138, because occupancy 0.3 <= existing 0.700001 Skipped atom 215, because occupancy 0.3 <= existing 0.700001 Skipped atom 216, because occupancy 0.3 <= existing 0.700001 Skipped atom 217, because occupancy 0.3 <= existing 0.700001 Skipped atom 218, because occupancy 0.3 <= existing 0.700001 Skipped atom 470, because occupancy 0.3 <= existing 0.700001 Skipped atom 471, because occupancy 0.3 <= existing 0.700001 Skipped atom 676, because occupancy 0.3 <= existing 0.700001 Skipped atom 677, because occupancy 0.3 <= existing 0.700001 Skipped atom 678, because occupancy 0.3 <= existing 0.700001 Skipped atom 679, because occupancy 0.3 <= existing 0.700001 Skipped atom 680, because occupancy 0.3 <= existing 0.700001 Skipped atom 786, because occupancy 0.3 <= existing 0.700001 Skipped atom 787, because occupancy 0.3 <= existing 0.700001 Skipped atom 923, because occupancy 0.3 <= existing 0.700001 Skipped atom 924, because occupancy 0.3 <= existing 0.700001 Skipped atom 925, because occupancy 0.3 <= existing 0.700001 Skipped atom 926, because occupancy 0.3 <= existing 0.700001 Skipped atom 995, because occupancy 0.3 <= existing 0.700001 Skipped atom 996, because occupancy 0.3 <= existing 0.700001 Skipped atom 1355, because occupancy 0.3 <= existing 0.700001 Skipped atom 1356, because occupancy 0.3 <= existing 0.700001 Skipped atom 1357, because occupancy 0.3 <= existing 0.700001 Skipped atom 1358, because occupancy 0.3 <= existing 0.700001 Skipped atom 1699, because occupancy 0.3 <= existing 0.700001 Skipped atom 1700, because occupancy 0.3 <= existing 0.700001 Skipped atom 1748, because occupancy 0.3 <= existing 0.700001 Skipped atom 1749, because occupancy 0.3 <= existing 0.700001 Skipped atom 2174, because occupancy 0.3 <= existing 0.700001 Skipped atom 2175, because occupancy 0.3 <= existing 0.700001 Skipped atom 2446, because occupancy 0.3 <= existing 0.700001 Skipped atom 2447, because occupancy 0.3 <= existing 0.700001 Skipped atom 2448, because occupancy 0.3 <= existing 0.700001 Skipped atom 2449, because occupancy 0.3 <= existing 0.700001 Skipped atom 2450, because occupancy 0.3 <= existing 0.700001 Skipped atom 2483, because occupancy 0.5 <= existing 0.500001 Skipped atom 2484, because occupancy 0.5 <= existing 0.500001 Skipped atom 2724, because occupancy 0.3 <= existing 0.700001 Skipped atom 2725, because occupancy 0.3 <= existing 0.700001 Skipped atom 2755, because occupancy 0.5 <= existing 0.500001 Skipped atom 2756, because occupancy 0.5 <= existing 0.500001 Skipped atom 2757, because occupancy 0.5 <= existing 0.500001 Skipped atom 2772, because occupancy 0.5 <= existing 0.500001 Skipped atom 2773, because occupancy 0.5 <= existing 0.500001 Skipped atom 2893, because occupancy 0.4 <= existing 0.600001 Skipped atom 2894, because occupancy 0.4 <= existing 0.600001 Skipped atom 2895, because occupancy 0.4 <= existing 0.600001 Skipped atom 2915, because occupancy 0.3 <= existing 0.700001 Skipped atom 2916, because occupancy 0.3 <= existing 0.700001 Skipped atom 2943, because occupancy 0.3 <= existing 0.700001 Skipped atom 2944, because occupancy 0.3 <= existing 0.700001 Skipped atom 2945, because occupancy 0.3 <= existing 0.700001 Skipped atom 2946, because occupancy 0.3 <= existing 0.700001 Skipped atom 2947, because occupancy 0.3 <= existing 0.700001 Skipped atom 2948, because occupancy 0.3 <= existing 0.700001 Skipped atom 2949, because occupancy 0.3 <= existing 0.700001 Skipped atom 2950, because occupancy 0.3 <= existing 0.700001 Skipped atom 3318, because occupancy 0.3 <= existing 0.700001 Skipped atom 3319, because occupancy 0.3 <= existing 0.700001 Skipped atom 3320, because occupancy 0.3 <= existing 0.700001 Skipped atom 3321, because occupancy 0.3 <= existing 0.700001 Skipped atom 3644, because occupancy 0.3 <= existing 0.700001 Skipped atom 3645, because occupancy 0.3 <= existing 0.700001 Skipped atom 3646, because occupancy 0.3 <= existing 0.700001 Skipped atom 3747, because occupancy 0.3 <= existing 0.700001 Skipped atom 3748, because occupancy 0.3 <= existing 0.700001 Skipped atom 3749, because occupancy 0.3 <= existing 0.700001 Skipped atom 3750, because occupancy 0.3 <= existing 0.700001 # found chain 1e70M in template set T0147_twice 396 :HQVALEINN 1e70M 401 :YNPLIYVTE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.36548 Ang O(64) at 41.092 118.688 58.532 in (null):N-9999 (8) and CG(69) at 42.8736 119.38 57.1384 in (null):N-9999 (9) other bump:2.92566 Ang CG2(25) at 31.4531 108.53 53.8749 in (null):V-9999 (3) and CD2(38) at 33.0221 110.93 54.4596 in (null):L-9999 (5) Number of specific fragments= 1 total=3149 # 1e4mM.396.400 read from T0147_twice.t2k.frag # adding 1e4mM to template set 1e4mM:Skipped atom 134, because occupancy 0.3 <= existing 0.700001 Skipped atom 136, because occupancy 0.3 <= existing 0.700001 Skipped atom 138, because occupancy 0.3 <= existing 0.700001 Skipped atom 212, because occupancy 0.3 <= existing 0.700001 Skipped atom 214, because occupancy 0.3 <= existing 0.700001 Skipped atom 216, because occupancy 0.3 <= existing 0.700001 Skipped atom 218, because occupancy 0.3 <= existing 0.700001 Skipped atom 469, because occupancy 0.3 <= existing 0.700001 Skipped atom 471, because occupancy 0.3 <= existing 0.700001 Skipped atom 672, because occupancy 0.3 <= existing 0.700001 Skipped atom 674, because occupancy 0.3 <= existing 0.700001 Skipped atom 676, because occupancy 0.3 <= existing 0.700001 Skipped atom 678, because occupancy 0.3 <= existing 0.700001 Skipped atom 680, because occupancy 0.3 <= existing 0.700001 Skipped atom 785, because occupancy 0.3 <= existing 0.700001 Skipped atom 787, because occupancy 0.3 <= existing 0.700001 Skipped atom 920, because occupancy 0.3 <= existing 0.700001 Skipped atom 922, because occupancy 0.3 <= existing 0.700001 Skipped atom 924, because occupancy 0.3 <= existing 0.700001 Skipped atom 926, because occupancy 0.3 <= existing 0.700001 Skipped atom 994, because occupancy 0.3 <= existing 0.700001 Skipped atom 996, because occupancy 0.3 <= existing 0.700001 Skipped atom 1352, because occupancy 0.3 <= existing 0.700001 Skipped atom 1354, because occupancy 0.3 <= existing 0.700001 Skipped atom 1356, because occupancy 0.3 <= existing 0.700001 Skipped atom 1358, because occupancy 0.3 <= existing 0.700001 Skipped atom 1698, because occupancy 0.3 <= existing 0.700001 Skipped atom 1700, because occupancy 0.3 <= existing 0.700001 Skipped atom 1747, because occupancy 0.3 <= existing 0.700001 Skipped atom 1749, because occupancy 0.3 <= existing 0.700001 Skipped atom 2173, because occupancy 0.3 <= existing 0.700001 Skipped atom 2175, because occupancy 0.3 <= existing 0.700001 Skipped atom 2442, because occupancy 0.3 <= existing 0.700001 Skipped atom 2444, because occupancy 0.3 <= existing 0.700001 Skipped atom 2446, because occupancy 0.3 <= existing 0.700001 Skipped atom 2448, because occupancy 0.3 <= existing 0.700001 Skipped atom 2450, because occupancy 0.3 <= existing 0.700001 Skipped atom 2482, because occupancy 0.5 <= existing 0.500001 Skipped atom 2484, because occupancy 0.5 <= existing 0.500001 Skipped atom 2723, because occupancy 0.3 <= existing 0.700001 Skipped atom 2725, because occupancy 0.3 <= existing 0.700001 Skipped atom 2753, because occupancy 0.5 <= existing 0.500001 Skipped atom 2755, because occupancy 0.5 <= existing 0.500001 Skipped atom 2757, because occupancy 0.5 <= existing 0.500001 Skipped atom 2771, because occupancy 0.5 <= existing 0.500001 Skipped atom 2773, because occupancy 0.5 <= existing 0.500001 Skipped atom 2891, because occupancy 0.4 <= existing 0.600001 Skipped atom 2893, because occupancy 0.4 <= existing 0.600001 Skipped atom 2895, because occupancy 0.4 <= existing 0.600001 Skipped atom 2914, because occupancy 0.3 <= existing 0.700001 Skipped atom 2916, because occupancy 0.3 <= existing 0.700001 Skipped atom 2936, because occupancy 0.3 <= existing 0.700001 Skipped atom 2938, because occupancy 0.3 <= existing 0.700001 Skipped atom 2940, because occupancy 0.3 <= existing 0.700001 Skipped atom 2942, because occupancy 0.3 <= existing 0.700001 Skipped atom 2944, because occupancy 0.3 <= existing 0.700001 Skipped atom 2946, because occupancy 0.3 <= existing 0.700001 Skipped atom 2948, because occupancy 0.3 <= existing 0.700001 Skipped atom 2950, because occupancy 0.3 <= existing 0.700001 Skipped atom 3638, because occupancy 0.3 <= existing 0.700001 Skipped atom 3640, because occupancy 0.3 <= existing 0.700001 Skipped atom 3642, because occupancy 0.3 <= existing 0.700001 Skipped atom 3740, because occupancy 0.3 <= existing 0.700001 Skipped atom 3742, because occupancy 0.3 <= existing 0.700001 Skipped atom 3744, because occupancy 0.3 <= existing 0.700001 Skipped atom 3746, because occupancy 0.3 <= existing 0.700001 # found chain 1e4mM in template set T0147_twice 396 :HQVALEINN 1e4mM 401 :YNPLIYVTE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.47073 Ang O(64) at 41.092 118.7 58.531 in (null):N-9999 (8) and CG(69) at 42.939 119.519 57.1087 in (null):N-9999 (9) Number of specific fragments= 1 total=3150 # 1iicA.396.358 read from T0147_twice.t2k.frag # found chain 1iicA in template set T0147_twice 396 :HQVALEINN 1iicA 392 :NMDVFNALT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3151 # 1h70A.397.230 read from T0147_twice.t2k.frag # found chain 1h70A in template set T0147_twice 397 :QVALEINNS 1h70A 230 :YRVIEVDTS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3152 # 1d0iA.397.99 read from T0147_twice.t2k.frag # found chain 1d0iA in template set T0147_twice 397 :QVALEINNS 1d0iA 100 :LPVVEVHIS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.01952 Ang OD1(61) at 25.3941 54.3917 10.022 in (null):N-9999 (8) and N(64) at 24.71 54.75 11.888 in (null):S-9999 (9) self-bump: 1.36626 Ang CA(57) at 26.022 56.678 11.236 in (null):N-9999 (8) and CB(58) at 25.8296 56.7389 9.88472 in (null):N-9999 (8) Number of specific fragments= 1 total=3153 # 1iciA.397.215 read from T0147_twice.t2k.frag # found chain 1iciA in template set T0147_twice 397 :QVALEINNS 1iciA 205 :GAIIEINPD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3154 # 1e70M.397.401 read from T0147_twice.t2k.frag # found chain 1e70M in template set T0147_twice 397 :QVALEINNS 1e70M 402 :NPLIYVTEN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.36549 Ang O(54) at 41.092 118.688 58.532 in (null):N-9999 (7) and CG(59) at 42.8736 119.38 57.1384 in (null):N-9999 (8) other bump:2.92566 Ang CG2(15) at 31.4531 108.53 53.8749 in (null):V-9999 (2) and CD2(28) at 33.0221 110.93 54.4596 in (null):L-9999 (4) Number of specific fragments= 1 total=3155 # 1e4mM.397.401 read from T0147_twice.t2k.frag # found chain 1e4mM in template set T0147_twice 397 :QVALEINNS 1e4mM 402 :NPLIYVTEN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.47073 Ang O(54) at 41.092 118.7 58.531 in (null):N-9999 (7) and CG(59) at 42.939 119.519 57.1087 in (null):N-9999 (8) Number of specific fragments= 1 total=3156 # 1e6qM.397.401 read from T0147_twice.t2k.frag # adding 1e6qM to template set 1e6qM:Skipped atom 136, because occupancy 0.3 <= existing 0.700001 Skipped atom 137, because occupancy 0.3 <= existing 0.700001 Skipped atom 138, because occupancy 0.3 <= existing 0.700001 Skipped atom 215, because occupancy 0.3 <= existing 0.700001 Skipped atom 216, because occupancy 0.3 <= existing 0.700001 Skipped atom 217, because occupancy 0.3 <= existing 0.700001 Skipped atom 218, because occupancy 0.3 <= existing 0.700001 Skipped atom 470, because occupancy 0.3 <= existing 0.700001 Skipped atom 471, because occupancy 0.3 <= existing 0.700001 Skipped atom 676, because occupancy 0.3 <= existing 0.700001 Skipped atom 677, because occupancy 0.3 <= existing 0.700001 Skipped atom 678, because occupancy 0.3 <= existing 0.700001 Skipped atom 679, because occupancy 0.3 <= existing 0.700001 Skipped atom 680, because occupancy 0.3 <= existing 0.700001 Skipped atom 786, because occupancy 0.3 <= existing 0.700001 Skipped atom 787, because occupancy 0.3 <= existing 0.700001 Skipped atom 923, because occupancy 0.3 <= existing 0.700001 Skipped atom 924, because occupancy 0.3 <= existing 0.700001 Skipped atom 925, because occupancy 0.3 <= existing 0.700001 Skipped atom 926, because occupancy 0.3 <= existing 0.700001 Skipped atom 995, because occupancy 0.3 <= existing 0.700001 Skipped atom 996, because occupancy 0.3 <= existing 0.700001 Skipped atom 1355, because occupancy 0.3 <= existing 0.700001 Skipped atom 1356, because occupancy 0.3 <= existing 0.700001 Skipped atom 1357, because occupancy 0.3 <= existing 0.700001 Skipped atom 1358, because occupancy 0.3 <= existing 0.700001 Skipped atom 1699, because occupancy 0.3 <= existing 0.700001 Skipped atom 1700, because occupancy 0.3 <= existing 0.700001 Skipped atom 1748, because occupancy 0.3 <= existing 0.700001 Skipped atom 1749, because occupancy 0.3 <= existing 0.700001 Skipped atom 2174, because occupancy 0.3 <= existing 0.700001 Skipped atom 2175, because occupancy 0.3 <= existing 0.700001 Skipped atom 2446, because occupancy 0.3 <= existing 0.700001 Skipped atom 2447, because occupancy 0.3 <= existing 0.700001 Skipped atom 2448, because occupancy 0.3 <= existing 0.700001 Skipped atom 2449, because occupancy 0.3 <= existing 0.700001 Skipped atom 2450, because occupancy 0.3 <= existing 0.700001 Skipped atom 2483, because occupancy 0.5 <= existing 0.500001 Skipped atom 2484, because occupancy 0.5 <= existing 0.500001 Skipped atom 2724, because occupancy 0.3 <= existing 0.700001 Skipped atom 2725, because occupancy 0.3 <= existing 0.700001 Skipped atom 2755, because occupancy 0.5 <= existing 0.500001 Skipped atom 2756, because occupancy 0.5 <= existing 0.500001 Skipped atom 2757, because occupancy 0.5 <= existing 0.500001 Skipped atom 2772, because occupancy 0.5 <= existing 0.500001 Skipped atom 2773, because occupancy 0.5 <= existing 0.500001 Skipped atom 2893, because occupancy 0.4 <= existing 0.600001 Skipped atom 2894, because occupancy 0.4 <= existing 0.600001 Skipped atom 2895, because occupancy 0.4 <= existing 0.600001 Skipped atom 2915, because occupancy 0.3 <= existing 0.700001 Skipped atom 2916, because occupancy 0.3 <= existing 0.700001 Skipped atom 2943, because occupancy 0.3 <= existing 0.700001 Skipped atom 2944, because occupancy 0.3 <= existing 0.700001 Skipped atom 2945, because occupancy 0.3 <= existing 0.700001 Skipped atom 2946, because occupancy 0.3 <= existing 0.700001 Skipped atom 2947, because occupancy 0.3 <= existing 0.700001 Skipped atom 2948, because occupancy 0.3 <= existing 0.700001 Skipped atom 2949, because occupancy 0.3 <= existing 0.700001 Skipped atom 2950, because occupancy 0.3 <= existing 0.700001 Skipped atom 3640, because occupancy 0.3 <= existing 0.700001 Skipped atom 3641, because occupancy 0.3 <= existing 0.700001 Skipped atom 3642, because occupancy 0.3 <= existing 0.700001 Skipped atom 3743, because occupancy 0.3 <= existing 0.700001 Skipped atom 3744, because occupancy 0.3 <= existing 0.700001 Skipped atom 3745, because occupancy 0.3 <= existing 0.700001 Skipped atom 3746, because occupancy 0.3 <= existing 0.700001 # found chain 1e6qM in template set T0147_twice 397 :QVALEINNS 1e6qM 402 :NPLIYVTEN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54764 Ang O(54) at 41.106 118.67 58.589 in (null):N-9999 (7) and CG(59) at 43.0152 119.469 57.1032 in (null):N-9999 (8) Number of specific fragments= 1 total=3157 # 1h70A.398.231 read from T0147_twice.t2k.frag # found chain 1h70A in template set T0147_twice 398 :VALEINNSS 1h70A 231 :RVIEVDTSE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3158 # 1d0iA.398.100 read from T0147_twice.t2k.frag # found chain 1d0iA in template set T0147_twice 398 :VALEINNSS 1d0iA 101 :PVVEVHISN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.01952 Ang OD1(52) at 25.3941 54.3917 10.022 in (null):N-9999 (7) and N(55) at 24.71 54.75 11.888 in (null):S-9999 (8) self-bump: 1.36626 Ang CA(48) at 26.022 56.678 11.236 in (null):N-9999 (7) and CB(49) at 25.8296 56.7389 9.88472 in (null):N-9999 (7) Number of specific fragments= 1 total=3159 # 1iciA.398.216 read from T0147_twice.t2k.frag # found chain 1iciA in template set T0147_twice 398 :VALEINNSS 1iciA 206 :AIIEINPDE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3160 # 1e70M.398.402 read from T0147_twice.t2k.frag # found chain 1e70M in template set T0147_twice 398 :VALEINNSS 1e70M 403 :PLIYVTENG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.36549 Ang O(45) at 41.092 118.688 58.532 in (null):N-9999 (6) and CG(50) at 42.8736 119.38 57.1384 in (null):N-9999 (7) other bump:2.92566 Ang CG2(6) at 31.4531 108.53 53.8749 in (null):V-9999 (1) and CD2(19) at 33.0221 110.93 54.4596 in (null):L-9999 (3) Number of specific fragments= 1 total=3161 # 1jx2B.398.199 read from T0147_twice.t2k.frag # found chain 1jx2B in template set T0147_twice 398 :VALEINNSS 1jx2B 201 :RTIGVITKL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.81473 Ang OD1(52) at -101.732 -8.51842 6.68284 in (null):N-9999 (7) and CA(56) at -103.057 -6.083 6.196 in (null):S-9999 (8) neighbor-bump: 2.59722 Ang CG(50) at -102.162 -9.14269 7.64636 in (null):N-9999 (7) and N(55) at -102.013 -6.616 7.064 in (null):S-9999 (8) neighbor-bump: 1.96041 Ang OD1(52) at -101.732 -8.51842 6.68284 in (null):N-9999 (7) and N(55) at -102.013 -6.616 7.064 in (null):S-9999 (8) Number of specific fragments= 1 total=3162 # 1e4mM.398.402 read from T0147_twice.t2k.frag # found chain 1e4mM in template set T0147_twice 398 :VALEINNSS 1e4mM 403 :PLIYVTENG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.47073 Ang O(45) at 41.092 118.7 58.531 in (null):N-9999 (6) and CG(50) at 42.939 119.519 57.1087 in (null):N-9999 (7) Number of specific fragments= 1 total=3163 # 1jx2B.399.200 read from T0147_twice.t2k.frag # found chain 1jx2B in template set T0147_twice 399 :ALEINNSSF 1jx2B 202 :TIGVITKLD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.81473 Ang OD1(45) at -101.732 -8.51842 6.68284 in (null):N-9999 (6) and CA(49) at -103.057 -6.083 6.196 in (null):S-9999 (7) neighbor-bump: 2.59722 Ang CG(43) at -102.162 -9.14269 7.64636 in (null):N-9999 (6) and N(48) at -102.013 -6.616 7.064 in (null):S-9999 (7) neighbor-bump: 1.96041 Ang OD1(45) at -101.732 -8.51842 6.68284 in (null):N-9999 (6) and N(48) at -102.013 -6.616 7.064 in (null):S-9999 (7) Number of specific fragments= 1 total=3164 # 1g6sA.399.399 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 399 :ALEINNSSF 1g6sA 400 :PVTILDPKC Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9119 Ang CG(43) at 75.3369 3.06566 33.4741 in (null):N-9999 (6) and CZ(68) at 73.5584 2.19643 31.3385 in (null):F-9999 (9) other bump:1.70783 Ang ND2(44) at 74.2775 2.9396 32.6976 in (null):N-9999 (6) and CZ(68) at 73.5584 2.19643 31.3385 in (null):F-9999 (9) other bump:2.20606 Ang ND2(44) at 74.2775 2.9396 32.6976 in (null):N-9999 (6) and CE2(67) at 72.3689 2.02429 32.0763 in (null):F-9999 (9) other bump:2.53652 Ang CG(43) at 75.3369 3.06566 33.4741 in (null):N-9999 (6) and CE1(66) at 74.1642 3.44687 31.2574 in (null):F-9999 (9) other bump:1.53113 Ang ND2(44) at 74.2775 2.9396 32.6976 in (null):N-9999 (6) and CE1(66) at 74.1642 3.44687 31.2574 in (null):F-9999 (9) other bump:2.88621 Ang OD1(45) at 76.2936 3.78593 33.176 in (null):N-9999 (6) and CE1(66) at 74.1642 3.44687 31.2574 in (null):F-9999 (9) other bump:2.483 Ang ND2(44) at 74.2775 2.9396 32.6976 in (null):N-9999 (6) and CD2(65) at 71.8028 3.12567 32.7784 in (null):F-9999 (9) other bump:1.89579 Ang ND2(44) at 74.2775 2.9396 32.6976 in (null):N-9999 (6) and CD1(64) at 73.5732 4.52283 31.9287 in (null):F-9999 (9) other bump:2.35844 Ang ND2(44) at 74.2775 2.9396 32.6976 in (null):N-9999 (6) and CG(63) at 72.416 4.38759 32.7091 in (null):F-9999 (9) Number of specific fragments= 1 total=3165 # 1e70M.399.403 read from T0147_twice.t2k.frag # found chain 1e70M in template set T0147_twice 399 :ALEINNSSF 1e70M 404 :LIYVTENGI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.36549 Ang O(38) at 41.092 118.688 58.532 in (null):N-9999 (5) and CG(43) at 42.8736 119.38 57.1384 in (null):N-9999 (6) Number of specific fragments= 1 total=3166 # 1e4mM.399.403 read from T0147_twice.t2k.frag # found chain 1e4mM in template set T0147_twice 399 :ALEINNSSF 1e4mM 404 :LIYVTENGI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.47073 Ang O(38) at 41.092 118.7 58.531 in (null):N-9999 (5) and CG(43) at 42.939 119.519 57.1087 in (null):N-9999 (6) Number of specific fragments= 1 total=3167 # 1e6qM.399.403 read from T0147_twice.t2k.frag # found chain 1e6qM in template set T0147_twice 399 :ALEINNSSF 1e6qM 404 :LIYVTENGI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54764 Ang O(38) at 41.106 118.67 58.589 in (null):N-9999 (5) and CG(43) at 43.0152 119.469 57.1032 in (null):N-9999 (6) Number of specific fragments= 1 total=3168 # 1d0iA.399.101 read from T0147_twice.t2k.frag # found chain 1d0iA in template set T0147_twice 399 :ALEINNSSF 1d0iA 102 :VVEVHISNI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.01952 Ang OD1(45) at 25.3941 54.3917 10.022 in (null):N-9999 (6) and N(48) at 24.71 54.75 11.888 in (null):S-9999 (7) self-bump: 1.36626 Ang CA(41) at 26.022 56.678 11.236 in (null):N-9999 (6) and CB(42) at 25.8296 56.7389 9.88472 in (null):N-9999 (6) Number of specific fragments= 1 total=3169 # 1g6sA.400.400 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 400 :LEINNSSFL 1g6sA 401 :VTILDPKCT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3170 # 1jx2B.400.201 read from T0147_twice.t2k.frag # found chain 1jx2B in template set T0147_twice 400 :LEINNSSFL 1jx2B 203 :IGVITKLDL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.81473 Ang OD1(40) at -101.732 -8.51842 6.68284 in (null):N-9999 (5) and CA(44) at -103.057 -6.083 6.196 in (null):S-9999 (6) neighbor-bump: 1.96041 Ang OD1(40) at -101.732 -8.51842 6.68284 in (null):N-9999 (5) and N(43) at -102.013 -6.616 7.064 in (null):S-9999 (6) neighbor-bump: 2.59722 Ang CG(38) at -102.162 -9.14269 7.64636 in (null):N-9999 (5) and N(43) at -102.013 -6.616 7.064 in (null):S-9999 (6) Number of specific fragments= 1 total=3171 # 1e70M.400.404 read from T0147_twice.t2k.frag # found chain 1e70M in template set T0147_twice 400 :LEINNSSFL 1e70M 405 :IYVTENGIS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48138 Ang CD2(60) at 43.0244 132.363 50.5264 in (null):F-9999 (8) and O(72) at 45.491 132.632 50.493 in (null):L-9999 (9) neighbor-bump: 2.32755 Ang CE2(62) at 43.4588 133.249 49.5409 in (null):F-9999 (8) and O(72) at 45.491 132.632 50.493 in (null):L-9999 (9) neighbor-bump: 2.36548 Ang O(33) at 41.092 118.688 58.532 in (null):N-9999 (4) and CG(38) at 42.8736 119.38 57.1384 in (null):N-9999 (5) Number of specific fragments= 1 total=3172 # 1e4mM.400.404 read from T0147_twice.t2k.frag # found chain 1e4mM in template set T0147_twice 400 :LEINNSSFL 1e4mM 405 :IYVTENGIS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54559 Ang CD2(60) at 43.0893 132.298 50.5912 in (null):F-9999 (8) and O(72) at 45.619 132.58 50.562 in (null):L-9999 (9) neighbor-bump: 2.39428 Ang CE2(62) at 43.5089 133.207 49.6204 in (null):F-9999 (8) and O(72) at 45.619 132.58 50.562 in (null):L-9999 (9) neighbor-bump: 2.47074 Ang O(33) at 41.092 118.7 58.531 in (null):N-9999 (4) and CG(38) at 42.939 119.519 57.1087 in (null):N-9999 (5) Number of specific fragments= 1 total=3173 # 1e6qM.400.404 read from T0147_twice.t2k.frag # found chain 1e6qM in template set T0147_twice 400 :LEINNSSFL 1e6qM 405 :IYVTENGIS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54244 Ang CD2(60) at 43.1686 132.235 50.5607 in (null):F-9999 (8) and O(72) at 45.688 132.575 50.528 in (null):L-9999 (9) neighbor-bump: 2.38304 Ang CE2(62) at 43.5745 133.149 49.5883 in (null):F-9999 (8) and O(72) at 45.688 132.575 50.528 in (null):L-9999 (9) neighbor-bump: 2.54764 Ang O(33) at 41.106 118.67 58.589 in (null):N-9999 (4) and CG(38) at 43.0152 119.469 57.1032 in (null):N-9999 (5) Number of specific fragments= 1 total=3174 # 1fcqA.400.297 read from T0147_twice.t2k.frag # found chain 1fcqA in training set T0147_twice 400 :LEINNSSFL 1fcqA 298 :FIIWGSSDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3175 # 1e70M.401.405 read from T0147_twice.t2k.frag # found chain 1e70M in template set T0147_twice 401 :EINNSSFLH 1e70M 406 :YVTENGIST Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48138 Ang CD2(52) at 43.0244 132.363 50.5264 in (null):F-9999 (7) and O(64) at 45.491 132.632 50.493 in (null):L-9999 (8) neighbor-bump: 2.32755 Ang CE2(54) at 43.4588 133.249 49.5409 in (null):F-9999 (7) and O(64) at 45.491 132.632 50.493 in (null):L-9999 (8) neighbor-bump: 2.36548 Ang O(25) at 41.092 118.688 58.532 in (null):N-9999 (3) and CG(30) at 42.8736 119.38 57.1384 in (null):N-9999 (4) Number of specific fragments= 1 total=3176 # 1e4mM.401.405 read from T0147_twice.t2k.frag # found chain 1e4mM in template set T0147_twice 401 :EINNSSFLH 1e4mM 406 :YVTENGIST Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54559 Ang CD2(52) at 43.0893 132.298 50.5912 in (null):F-9999 (7) and O(64) at 45.619 132.58 50.562 in (null):L-9999 (8) neighbor-bump: 2.39428 Ang CE2(54) at 43.5089 133.207 49.6204 in (null):F-9999 (7) and O(64) at 45.619 132.58 50.562 in (null):L-9999 (8) neighbor-bump: 2.47074 Ang O(25) at 41.092 118.7 58.531 in (null):N-9999 (3) and CG(30) at 42.939 119.519 57.1087 in (null):N-9999 (4) Number of specific fragments= 1 total=3177 # 1e6qM.401.405 read from T0147_twice.t2k.frag # found chain 1e6qM in template set T0147_twice 401 :EINNSSFLH 1e6qM 406 :YVTENGIST Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54244 Ang CD2(52) at 43.1686 132.235 50.5607 in (null):F-9999 (7) and O(64) at 45.688 132.575 50.528 in (null):L-9999 (8) neighbor-bump: 2.38304 Ang CE2(54) at 43.5745 133.149 49.5883 in (null):F-9999 (7) and O(64) at 45.688 132.575 50.528 in (null):L-9999 (8) neighbor-bump: 2.54765 Ang O(25) at 41.106 118.67 58.589 in (null):N-9999 (3) and CG(30) at 43.0152 119.469 57.1032 in (null):N-9999 (4) Number of specific fragments= 1 total=3178 # 1g6sA.401.401 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 401 :EINNSSFLH 1g6sA 402 :TILDPKCTA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54707 Ang O(45) at 74.116 9.055 32.994 in (null):S-9999 (6) and CE1(72) at 73.8546 8.51176 30.5193 in (null):H-9999 (9) other bump:1.66566 Ang O(45) at 74.116 9.055 32.994 in (null):S-9999 (6) and ND1(71) at 73.8267 9.47741 31.409 in (null):H-9999 (9) other bump:2.79854 Ang C(46) at 74.443 8.173 33.807 in (null):S-9999 (6) and ND1(71) at 73.8267 9.47741 31.409 in (null):H-9999 (9) Number of specific fragments= 1 total=3179 # 1jx2B.401.202 read from T0147_twice.t2k.frag # found chain 1jx2B in template set T0147_twice 401 :EINNSSFLH 1jx2B 204 :GVITKLDLM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38127 Ang CA(67) at -108.393 -1.366 6.437 in (null):H-9999 (9) and CB(68) at -108.1 -0.678131 7.59854 in (null):H-9999 (9) neighbor-bump: 2.81473 Ang OD1(32) at -101.732 -8.51842 6.68284 in (null):N-9999 (4) and CA(36) at -103.057 -6.083 6.196 in (null):S-9999 (5) neighbor-bump: 1.96041 Ang OD1(32) at -101.732 -8.51842 6.68284 in (null):N-9999 (4) and N(35) at -102.013 -6.616 7.064 in (null):S-9999 (5) neighbor-bump: 2.59722 Ang CG(30) at -102.162 -9.14269 7.64636 in (null):N-9999 (4) and N(35) at -102.013 -6.616 7.064 in (null):S-9999 (5) Number of specific fragments= 1 total=3180 # 1fcqA.401.298 read from T0147_twice.t2k.frag # found chain 1fcqA in training set T0147_twice 401 :EINNSSFLH 1fcqA 299 :IIWGSSDDI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3181 # 1g6sA.402.402 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 402 :INNSSFLHS 1g6sA 403 :ILDPKCTAK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54708 Ang O(36) at 74.116 9.055 32.994 in (null):S-9999 (5) and CE1(63) at 73.8546 8.51177 30.5193 in (null):H-9999 (8) other bump:1.66568 Ang O(36) at 74.116 9.055 32.994 in (null):S-9999 (5) and ND1(62) at 73.8267 9.47742 31.409 in (null):H-9999 (8) other bump:2.79856 Ang C(37) at 74.443 8.173 33.807 in (null):S-9999 (5) and ND1(62) at 73.8267 9.47742 31.409 in (null):H-9999 (8) Number of specific fragments= 1 total=3182 # 1e70M.402.406 read from T0147_twice.t2k.frag # found chain 1e70M in template set T0147_twice 402 :INNSSFLHS 1e70M 407 :VTENGISTP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48138 Ang CD2(43) at 43.0244 132.363 50.5264 in (null):F-9999 (6) and O(55) at 45.491 132.632 50.493 in (null):L-9999 (7) neighbor-bump: 2.32755 Ang CE2(45) at 43.4588 133.249 49.5409 in (null):F-9999 (6) and O(55) at 45.491 132.632 50.493 in (null):L-9999 (7) neighbor-bump: 2.36548 Ang O(16) at 41.092 118.688 58.532 in (null):N-9999 (2) and CG(21) at 42.8736 119.38 57.1384 in (null):N-9999 (3) Number of specific fragments= 1 total=3183 # 1e4mM.402.406 read from T0147_twice.t2k.frag # found chain 1e4mM in template set T0147_twice 402 :INNSSFLHS 1e4mM 407 :VTENGISTP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54559 Ang CD2(43) at 43.0893 132.298 50.5912 in (null):F-9999 (6) and O(55) at 45.619 132.58 50.562 in (null):L-9999 (7) neighbor-bump: 2.39428 Ang CE2(45) at 43.5089 133.207 49.6204 in (null):F-9999 (6) and O(55) at 45.619 132.58 50.562 in (null):L-9999 (7) neighbor-bump: 2.47074 Ang O(16) at 41.092 118.7 58.531 in (null):N-9999 (2) and CG(21) at 42.939 119.519 57.1087 in (null):N-9999 (3) Number of specific fragments= 1 total=3184 # 1e6qM.402.406 read from T0147_twice.t2k.frag # found chain 1e6qM in template set T0147_twice 402 :INNSSFLHS 1e6qM 407 :VTENGISTP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54244 Ang CD2(43) at 43.1686 132.235 50.5607 in (null):F-9999 (6) and O(55) at 45.688 132.575 50.528 in (null):L-9999 (7) neighbor-bump: 2.38304 Ang CE2(45) at 43.5745 133.149 49.5883 in (null):F-9999 (6) and O(55) at 45.688 132.575 50.528 in (null):L-9999 (7) neighbor-bump: 2.54764 Ang O(16) at 41.106 118.67 58.589 in (null):N-9999 (2) and CG(21) at 43.0152 119.469 57.1032 in (null):N-9999 (3) Number of specific fragments= 1 total=3185 # 1jx2B.402.203 read from T0147_twice.t2k.frag # found chain 1jx2B in template set T0147_twice 402 :INNSSFLHS 1jx2B 205 :VITKLDLMD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.21242 Ang CB(59) at -108.484 -1.00909 7.65406 in (null):H-9999 (8) and C(66) at -109.661 -0.793 5.793 in (null):H-9999 (8) self-bump: 1.27159 Ang CA(58) at -108.393 -1.366 6.437 in (null):H-9999 (8) and CB(59) at -108.484 -1.00909 7.65406 in (null):H-9999 (8) neighbor-bump: 2.81473 Ang OD1(23) at -101.732 -8.51842 6.68284 in (null):N-9999 (3) and CA(27) at -103.057 -6.083 6.196 in (null):S-9999 (4) neighbor-bump: 2.59722 Ang CG(21) at -102.162 -9.14269 7.64636 in (null):N-9999 (3) and N(26) at -102.013 -6.616 7.064 in (null):S-9999 (4) neighbor-bump: 1.9604 Ang OD1(23) at -101.732 -8.51842 6.68284 in (null):N-9999 (3) and N(26) at -102.013 -6.616 7.064 in (null):S-9999 (4) Number of specific fragments= 1 total=3186 # 1eps.402.402 read from T0147_twice.t2k.frag # found chain 1eps in template set Number of specific fragments= 0 total=3186 # 1g6sA.403.403 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 403 :NNSSFLHSR 1g6sA 404 :LDPKCTAKT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54708 Ang O(28) at 74.116 9.055 32.994 in (null):S-9999 (4) and CE1(55) at 73.8546 8.51177 30.5193 in (null):H-9999 (7) other bump:1.66567 Ang O(28) at 74.116 9.055 32.994 in (null):S-9999 (4) and ND1(54) at 73.8267 9.47742 31.409 in (null):H-9999 (7) other bump:2.79855 Ang C(29) at 74.443 8.173 33.807 in (null):S-9999 (4) and ND1(54) at 73.8267 9.47742 31.409 in (null):H-9999 (7) Number of specific fragments= 1 total=3187 # 1e4mM.403.407 read from T0147_twice.t2k.frag # found chain 1e4mM in template set T0147_twice 403 :NNSSFLHSR 1e4mM 408 :TENGISTPG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54559 Ang CD2(35) at 43.0893 132.298 50.5912 in (null):F-9999 (5) and O(47) at 45.619 132.58 50.562 in (null):L-9999 (6) neighbor-bump: 2.39428 Ang CE2(37) at 43.5089 133.207 49.6204 in (null):F-9999 (5) and O(47) at 45.619 132.58 50.562 in (null):L-9999 (6) neighbor-bump: 2.47073 Ang O(8) at 41.092 118.7 58.531 in (null):N-9999 (1) and CG(13) at 42.939 119.519 57.1087 in (null):N-9999 (2) Number of specific fragments= 1 total=3188 # 1e6qM.403.407 read from T0147_twice.t2k.frag # found chain 1e6qM in template set T0147_twice 403 :NNSSFLHSR 1e6qM 408 :TENGISTPG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54244 Ang CD2(35) at 43.1686 132.235 50.5607 in (null):F-9999 (5) and O(47) at 45.688 132.575 50.528 in (null):L-9999 (6) neighbor-bump: 2.38304 Ang CE2(37) at 43.5745 133.149 49.5883 in (null):F-9999 (5) and O(47) at 45.688 132.575 50.528 in (null):L-9999 (6) neighbor-bump: 2.54764 Ang O(8) at 41.106 118.67 58.589 in (null):N-9999 (1) and CG(13) at 43.0152 119.469 57.1032 in (null):N-9999 (2) Number of specific fragments= 1 total=3189 # 1e70M.403.407 read from T0147_twice.t2k.frag # found chain 1e70M in template set T0147_twice 403 :NNSSFLHSR 1e70M 408 :TENGISTPG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48138 Ang CD2(35) at 43.0244 132.363 50.5264 in (null):F-9999 (5) and O(47) at 45.491 132.632 50.493 in (null):L-9999 (6) neighbor-bump: 2.32755 Ang CE2(37) at 43.4588 133.249 49.5409 in (null):F-9999 (5) and O(47) at 45.491 132.632 50.493 in (null):L-9999 (6) neighbor-bump: 2.36548 Ang O(8) at 41.092 118.688 58.532 in (null):N-9999 (1) and CG(13) at 42.8736 119.38 57.1384 in (null):N-9999 (2) Number of specific fragments= 1 total=3190 # 1gtxA.403.405 read from T0147_twice.t2k.frag # adding 1gtxA to template set 1gtxA:# found chain 1gtxA in template set T0147_twice 403 :NNSSFLHSR 1gtxA 406 :RGRGTFCSF Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31066 Ang OD1(15) at -0.199682 9.59662 9.26055 in (null):N-9999 (2) and C(58) at 1.749 8.355 9.247 in (null):H-9999 (7) other bump:2.50104 Ang O(28) at 0.261 14.402 12.407 in (null):S-9999 (4) and CE1(55) at 0.541475 14.0311 9.94957 in (null):H-9999 (7) other bump:2.11142 Ang CG(13) at -0.998088 10.5178 9.06432 in (null):N-9999 (2) and CD2(53) at -0.370936 12.4984 8.68751 in (null):H-9999 (7) other bump:2.07043 Ang ND2(14) at -1.3629 10.8866 7.84806 in (null):N-9999 (2) and CD2(53) at -0.370936 12.4984 8.68751 in (null):H-9999 (7) other bump:2.39535 Ang CB(12) at -1.67804 11.1949 10.2139 in (null):N-9999 (2) and CD2(53) at -0.370936 12.4984 8.68751 in (null):H-9999 (7) other bump:2.36217 Ang CG(13) at -0.998088 10.5178 9.06432 in (null):N-9999 (2) and CG(52) at 0.822609 12.0225 9.09086 in (null):H-9999 (7) other bump:2.63799 Ang OD1(15) at -0.199682 9.59662 9.26055 in (null):N-9999 (2) and CG(52) at 0.822609 12.0225 9.09086 in (null):H-9999 (7) other bump:2.75888 Ang ND2(14) at -1.3629 10.8866 7.84806 in (null):N-9999 (2) and CG(52) at 0.822609 12.0225 9.09086 in (null):H-9999 (7) other bump:2.86349 Ang CB(12) at -1.67804 11.1949 10.2139 in (null):N-9999 (2) and CG(52) at 0.822609 12.0225 9.09086 in (null):H-9999 (7) other bump:2.53167 Ang CG(13) at -0.998088 10.5178 9.06432 in (null):N-9999 (2) and CB(51) at 1.51334 10.7011 8.80261 in (null):H-9999 (7) other bump:2.08902 Ang OD1(15) at -0.199682 9.59662 9.26055 in (null):N-9999 (2) and CB(51) at 1.51334 10.7011 8.80261 in (null):H-9999 (7) other bump:2.52426 Ang CG(13) at -0.998088 10.5178 9.06432 in (null):N-9999 (2) and CA(50) at 1.192 9.584 9.903 in (null):H-9999 (7) other bump:1.53287 Ang OD1(15) at -0.199682 9.59662 9.26055 in (null):N-9999 (2) and CA(50) at 1.192 9.584 9.903 in (null):H-9999 (7) other bump:3.30588 Ang CB(12) at -1.67804 11.1949 10.2139 in (null):N-9999 (2) and CA(50) at 1.192 9.584 9.903 in (null):H-9999 (7) self-bump: 1.39104 Ang CA(25) at -0.108 15.073 14.686 in (null):S-9999 (4) and CB(26) at 0.530534 15.3327 15.8942 in (null):S-9999 (4) neighbor-bump: 2.54103 Ang C(9) at -3.009 8.967 9.154 in (null):N-9999 (1) and CG(13) at -0.998088 10.5178 9.06432 in (null):N-9999 (2) neighbor-bump: 1.72696 Ang O(8) at -1.855 9.059 8.718 in (null):N-9999 (1) and CG(13) at -0.998088 10.5178 9.06432 in (null):N-9999 (2) Number of specific fragments= 1 total=3191 # 1eps.403.403 read from T0147_twice.t2k.frag # found chain 1eps in template set Number of specific fragments= 0 total=3191 # 1g6sA.404.404 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 404 :NSSFLHSRK 1g6sA 405 :DPKCTAKTF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54708 Ang O(20) at 74.116 9.055 32.994 in (null):S-9999 (3) and CE1(47) at 73.8546 8.51177 30.5193 in (null):H-9999 (6) other bump:1.66568 Ang O(20) at 74.116 9.055 32.994 in (null):S-9999 (3) and ND1(46) at 73.8267 9.47742 31.409 in (null):H-9999 (6) other bump:2.79856 Ang C(21) at 74.443 8.173 33.807 in (null):S-9999 (3) and ND1(46) at 73.8267 9.47742 31.409 in (null):H-9999 (6) Number of specific fragments= 1 total=3192 # 1e4mM.404.408 read from T0147_twice.t2k.frag # found chain 1e4mM in template set T0147_twice 404 :NSSFLHSRK 1e4mM 409 :ENGISTPGD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.39428 Ang CE2(29) at 43.5089 133.207 49.6204 in (null):F-9999 (4) and O(39) at 45.619 132.58 50.562 in (null):L-9999 (5) neighbor-bump: 2.54559 Ang CD2(27) at 43.0893 132.298 50.5912 in (null):F-9999 (4) and O(39) at 45.619 132.58 50.562 in (null):L-9999 (5) neighbor-bump: 2.47073 Ang O(0) at 41.092 118.7 58.531 in (null):G-9999 (0) and CG(5) at 42.939 119.519 57.1087 in (null):N-9999 (1) Number of specific fragments= 1 total=3193 # 1e6qM.404.408 read from T0147_twice.t2k.frag # found chain 1e6qM in template set T0147_twice 404 :NSSFLHSRK 1e6qM 409 :ENGISTPGD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.38304 Ang CE2(29) at 43.5745 133.149 49.5883 in (null):F-9999 (4) and O(39) at 45.688 132.575 50.528 in (null):L-9999 (5) neighbor-bump: 2.54244 Ang CD2(27) at 43.1686 132.235 50.5607 in (null):F-9999 (4) and O(39) at 45.688 132.575 50.528 in (null):L-9999 (5) neighbor-bump: 2.54764 Ang O(0) at 41.106 118.67 58.589 in (null):G-9999 (0) and CG(5) at 43.0152 119.469 57.1032 in (null):N-9999 (1) Number of specific fragments= 1 total=3194 # 1e70M.404.408 read from T0147_twice.t2k.frag # found chain 1e70M in template set T0147_twice 404 :NSSFLHSRK 1e70M 409 :ENGISTPGD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.32755 Ang CE2(29) at 43.4588 133.249 49.5409 in (null):F-9999 (4) and O(39) at 45.491 132.632 50.493 in (null):L-9999 (5) neighbor-bump: 2.48138 Ang CD2(27) at 43.0244 132.363 50.5264 in (null):F-9999 (4) and O(39) at 45.491 132.632 50.493 in (null):L-9999 (5) neighbor-bump: 2.36549 Ang O(0) at 41.092 118.688 58.532 in (null):G-9999 (0) and CG(5) at 42.8736 119.38 57.1384 in (null):N-9999 (1) Number of specific fragments= 1 total=3195 # 1j78A.404.407 read from T0147_twice.t2k.frag # adding 1j78A to template set 1j78A:# found chain 1j78A in template set T0147_twice 404 :NSSFLHSRK 1j78A 408 :ERLKAKLPD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57054 Ang O(14) at -31.14 -40.391 31.89 in (null):S-9999 (2) and CD2(45) at -33.6315 -39.7941 32.0996 in (null):H-9999 (6) Number of specific fragments= 1 total=3196 # 1gtxA.404.406 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 404 :NSSFLHSRK 1gtxA 407 :GRGTFCSFD Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.19062 Ang CG(5) at -0.724353 10.3703 9.21576 in (null):N-9999 (1) and C(50) at 1.749 8.355 9.247 in (null):H-9999 (6) other bump:2.0467 Ang OD1(7) at 0.315257 9.78708 9.53426 in (null):N-9999 (1) and C(50) at 1.749 8.355 9.247 in (null):H-9999 (6) other bump:2.50104 Ang O(20) at 0.261 14.402 12.407 in (null):S-9999 (3) and CE1(47) at 0.541475 14.0311 9.94957 in (null):H-9999 (6) other bump:2.37547 Ang ND2(6) at -1.18019 10.3836 7.96954 in (null):N-9999 (1) and CD2(45) at -0.370936 12.4984 8.68751 in (null):H-9999 (6) other bump:2.39344 Ang CB(4) at -1.55593 11.1223 10.2466 in (null):N-9999 (1) and CD2(45) at -0.370936 12.4984 8.68751 in (null):H-9999 (6) other bump:2.22096 Ang CG(5) at -0.724353 10.3703 9.21576 in (null):N-9999 (1) and CD2(45) at -0.370936 12.4984 8.68751 in (null):H-9999 (6) other bump:2.79348 Ang CB(4) at -1.55593 11.1223 10.2466 in (null):N-9999 (1) and CG(44) at 0.822609 12.0225 9.09086 in (null):H-9999 (6) other bump:2.26682 Ang CG(5) at -0.724353 10.3703 9.21576 in (null):N-9999 (1) and CG(44) at 0.822609 12.0225 9.09086 in (null):H-9999 (6) other bump:2.3348 Ang OD1(7) at 0.315257 9.78708 9.53426 in (null):N-9999 (1) and CG(44) at 0.822609 12.0225 9.09086 in (null):H-9999 (6) other bump:2.29943 Ang CG(5) at -0.724353 10.3703 9.21576 in (null):N-9999 (1) and CB(43) at 1.51334 10.7011 8.80261 in (null):H-9999 (6) other bump:1.67515 Ang OD1(7) at 0.315257 9.78708 9.53426 in (null):N-9999 (1) and CB(43) at 1.51334 10.7011 8.80261 in (null):H-9999 (6) other bump:3.1679 Ang CB(4) at -1.55593 11.1223 10.2466 in (null):N-9999 (1) and CA(42) at 1.192 9.584 9.903 in (null):H-9999 (6) other bump:2.18244 Ang CG(5) at -0.724353 10.3703 9.21576 in (null):N-9999 (1) and CA(42) at 1.192 9.584 9.903 in (null):H-9999 (6) other bump:0.97257 Ang OD1(7) at 0.315257 9.78708 9.53426 in (null):N-9999 (1) and CA(42) at 1.192 9.584 9.903 in (null):H-9999 (6) other bump:2.22981 Ang OD1(7) at 0.315257 9.78708 9.53426 in (null):N-9999 (1) and N(41) at 1.887 10.011 11.1 in (null):H-9999 (6) self-bump: 1.39104 Ang CA(17) at -0.108 15.073 14.686 in (null):S-9999 (3) and CB(18) at 0.530534 15.3327 15.8942 in (null):S-9999 (3) neighbor-bump: 1.66437 Ang O(0) at -1.855 9.059 8.718 in (null):G-9999 (0) and ND2(6) at -1.18019 10.3836 7.96954 in (null):N-9999 (1) neighbor-bump: 2.5989 Ang C(1) at -3.009 8.967 9.154 in (null):G-9999 (0) and ND2(6) at -1.18019 10.3836 7.96954 in (null):N-9999 (1) neighbor-bump: 1.80159 Ang O(0) at -1.855 9.059 8.718 in (null):G-9999 (0) and CG(5) at -0.724353 10.3703 9.21576 in (null):N-9999 (1) neighbor-bump: 2.68194 Ang C(1) at -3.009 8.967 9.154 in (null):G-9999 (0) and CG(5) at -0.724353 10.3703 9.21576 in (null):N-9999 (1) Number of specific fragments= 1 total=3197 # 1j78A.405.408 read from T0147_twice.t2k.frag # found chain 1j78A in template set T0147_twice 405 :SSFLHSRKG 1j78A 409 :RLKAKLPDA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57054 Ang O(6) at -31.14 -40.391 31.89 in (null):S-9999 (1) and CD2(37) at -33.6315 -39.7941 32.0996 in (null):H-9999 (5) Number of specific fragments= 1 total=3198 # 1g6sA.405.405 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 405 :SSFLHSRKG 1g6sA 406 :PKCTAKTFP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54708 Ang O(12) at 74.116 9.055 32.994 in (null):S-9999 (2) and CE1(39) at 73.8546 8.51177 30.5193 in (null):H-9999 (5) other bump:2.79855 Ang C(13) at 74.443 8.173 33.807 in (null):S-9999 (2) and ND1(38) at 73.8267 9.47742 31.409 in (null):H-9999 (5) other bump:1.66567 Ang O(12) at 74.116 9.055 32.994 in (null):S-9999 (2) and ND1(38) at 73.8267 9.47742 31.409 in (null):H-9999 (5) Number of specific fragments= 1 total=3199 # 1gtxA.405.407 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 405 :SSFLHSRKG 1gtxA 408 :RGTFCSFDT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50104 Ang O(12) at 0.261 14.402 12.407 in (null):S-9999 (2) and CE1(39) at 0.541475 14.0311 9.94957 in (null):H-9999 (5) self-bump: 1.39105 Ang CA(9) at -0.108 15.073 14.686 in (null):S-9999 (2) and CB(10) at 0.530535 15.3327 15.8942 in (null):S-9999 (2) Number of specific fragments= 1 total=3200 # 1e4mM.405.409 read from T0147_twice.t2k.frag # found chain 1e4mM in template set T0147_twice 405 :SSFLHSRKG 1e4mM 410 :NGISTPGDE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54559 Ang CD2(19) at 43.0893 132.298 50.5912 in (null):F-9999 (3) and O(31) at 45.619 132.58 50.562 in (null):L-9999 (4) neighbor-bump: 2.39428 Ang CE2(21) at 43.5089 133.207 49.6204 in (null):F-9999 (3) and O(31) at 45.619 132.58 50.562 in (null):L-9999 (4) Number of specific fragments= 1 total=3201 # 1e6qM.405.409 read from T0147_twice.t2k.frag # found chain 1e6qM in template set T0147_twice 405 :SSFLHSRKG 1e6qM 410 :NGISTPGDE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54244 Ang CD2(19) at 43.1686 132.235 50.5607 in (null):F-9999 (3) and O(31) at 45.688 132.575 50.528 in (null):L-9999 (4) neighbor-bump: 2.38304 Ang CE2(21) at 43.5745 133.149 49.5883 in (null):F-9999 (3) and O(31) at 45.688 132.575 50.528 in (null):L-9999 (4) Number of specific fragments= 1 total=3202 # 1e70M.405.409 read from T0147_twice.t2k.frag # found chain 1e70M in template set T0147_twice 405 :SSFLHSRKG 1e70M 410 :NGISTPGDE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48138 Ang CD2(19) at 43.0244 132.363 50.5264 in (null):F-9999 (3) and O(31) at 45.491 132.632 50.493 in (null):L-9999 (4) neighbor-bump: 2.32755 Ang CE2(21) at 43.4588 133.249 49.5409 in (null):F-9999 (3) and O(31) at 45.491 132.632 50.493 in (null):L-9999 (4) Number of specific fragments= 1 total=3203 # 1j78A.406.409 read from T0147_twice.t2k.frag # found chain 1j78A in template set T0147_twice 406 :SFLHSRKGS 1j78A 410 :LKAKLPDAT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57054 Ang O(0) at -31.14 -40.391 31.89 in (null):G-9999 (0) and CD2(31) at -33.6315 -39.7941 32.0996 in (null):H-9999 (4) Number of specific fragments= 1 total=3204 # 1gtxA.406.408 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 406 :SFLHSRKGS 1gtxA 409 :GTFCSFDTP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50104 Ang O(6) at 0.261 14.402 12.407 in (null):S-9999 (1) and CE1(33) at 0.541475 14.0311 9.94957 in (null):H-9999 (4) self-bump: 1.39105 Ang CA(3) at -0.108 15.073 14.686 in (null):S-9999 (1) and CB(4) at 0.530535 15.3327 15.8942 in (null):S-9999 (1) Number of specific fragments= 1 total=3205 # 1g6sA.406.406 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 406 :SFLHSRKGS 1g6sA 407 :KCTAKTFPD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54708 Ang O(6) at 74.116 9.055 32.994 in (null):S-9999 (1) and CE1(33) at 73.8546 8.51177 30.5193 in (null):H-9999 (4) other bump:1.66567 Ang O(6) at 74.116 9.055 32.994 in (null):S-9999 (1) and ND1(32) at 73.8267 9.47742 31.409 in (null):H-9999 (4) other bump:2.79855 Ang C(7) at 74.443 8.173 33.807 in (null):S-9999 (1) and ND1(32) at 73.8267 9.47742 31.409 in (null):H-9999 (4) Number of specific fragments= 1 total=3206 # 1ho8A.406.406 read from T0147_twice.t2k.frag # adding 1ho8A to template set 1ho8A:# found chain 1ho8A in template set T0147_twice 406 :SFLHSRKGS 1ho8A 405 :KVRNGDVNA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16227 Ang O(25) at 64.354 58.661 31.969 in (null):L-9999 (3) and CG(46) at 66.255 58.5647 32.9949 in (null):R-9999 (6) other bump:3.09851 Ang C(26) at 64.093 58.908 30.802 in (null):L-9999 (3) and CG(46) at 66.255 58.5647 32.9949 in (null):R-9999 (6) Number of specific fragments= 1 total=3207 # 1e4mM.406.410 read from T0147_twice.t2k.frag # found chain 1e4mM in template set T0147_twice 406 :SFLHSRKGS 1e4mM 411 :GISTPGDEN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54559 Ang CD2(13) at 43.0893 132.298 50.5912 in (null):F-9999 (2) and O(25) at 45.619 132.58 50.562 in (null):L-9999 (3) neighbor-bump: 2.39428 Ang CE2(15) at 43.5089 133.207 49.6204 in (null):F-9999 (2) and O(25) at 45.619 132.58 50.562 in (null):L-9999 (3) Number of specific fragments= 1 total=3208 # 1e6qM.406.410 read from T0147_twice.t2k.frag # found chain 1e6qM in template set T0147_twice 406 :SFLHSRKGS 1e6qM 411 :GISTPGDEN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54244 Ang CD2(13) at 43.1686 132.235 50.5607 in (null):F-9999 (2) and O(25) at 45.688 132.575 50.528 in (null):L-9999 (3) neighbor-bump: 2.38304 Ang CE2(15) at 43.5745 133.149 49.5883 in (null):F-9999 (2) and O(25) at 45.688 132.575 50.528 in (null):L-9999 (3) Number of specific fragments= 1 total=3209 # 1j78A.407.410 read from T0147_twice.t2k.frag # found chain 1j78A in template set T0147_twice 407 :FLHSRKGSE 1j78A 411 :KAKLPDATP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3210 # 1gtxA.407.409 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 407 :FLHSRKGSE 1gtxA 410 :TFCSFDTPD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50104 Ang O(0) at 0.261 14.402 12.407 in (null):G-9999 (0) and CE1(27) at 0.541475 14.0311 9.94957 in (null):H-9999 (3) Number of specific fragments= 1 total=3211 # 1g6sA.407.407 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 407 :FLHSRKGSE 1g6sA 408 :CTAKTFPDY Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01959 Ang CD1(17) at 70.1264 8.35271 37.6416 in (null):L-9999 (2) and OE1(72) at 69.5602 10.2263 39.941 in (null):E-9999 (9) other bump:1.85612 Ang CD2(18) at 71.1741 10.1302 39.0292 in (null):L-9999 (2) and OE1(72) at 69.5602 10.2263 39.941 in (null):E-9999 (9) other bump:2.75734 Ang CD2(18) at 71.1741 10.1302 39.0292 in (null):L-9999 (2) and CD(71) at 69.0263 11.1951 40.3914 in (null):E-9999 (9) other bump:3.11473 Ang CD2(18) at 71.1741 10.1302 39.0292 in (null):L-9999 (2) and CB(69) at 70.6291 13.1294 39.6689 in (null):E-9999 (9) other bump:2.54708 Ang O(0) at 74.116 9.055 32.994 in (null):G-9999 (0) and CE1(27) at 73.8546 8.51176 30.5193 in (null):H-9999 (3) other bump:1.66567 Ang O(0) at 74.116 9.055 32.994 in (null):G-9999 (0) and ND1(26) at 73.8267 9.47741 31.409 in (null):H-9999 (3) other bump:2.79855 Ang C(1) at 74.443 8.173 33.807 in (null):G-9999 (0) and ND1(26) at 73.8267 9.47741 31.409 in (null):H-9999 (3) Number of specific fragments= 1 total=3212 # 1ho8A.407.407 read from T0147_twice.t2k.frag # found chain 1ho8A in template set T0147_twice 407 :FLHSRKGSE 1ho8A 406 :VRNGDVNAK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.23806 Ang O(65) at 63.868 46.792 33.893 in (null):S-9999 (8) and C(75) at 63.88 44.919 32.668 in (null):E-9999 (9) neighbor-bump: 2.65189 Ang C(66) at 64.699 46.394 34.714 in (null):S-9999 (8) and C(75) at 63.88 44.919 32.668 in (null):E-9999 (9) self-bump: 1.35106 Ang CA(68) at 64.858 44.276 33.624 in (null):E-9999 (9) and CB(69) at 64.6751 42.9468 33.7827 in (null):E-9999 (9) other bump:2.16227 Ang O(19) at 64.354 58.661 31.969 in (null):L-9999 (2) and CG(40) at 66.255 58.5647 32.9949 in (null):R-9999 (5) other bump:3.09851 Ang C(20) at 64.093 58.908 30.802 in (null):L-9999 (2) and CG(40) at 66.255 58.5647 32.9949 in (null):R-9999 (5) Number of specific fragments= 1 total=3213 # 1eps.407.407 read from T0147_twice.t2k.frag # found chain 1eps in template set Number of specific fragments= 0 total=3213 # 1gtxA.407.410 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 407 :FLHSRKGSE 1gtxA 411 :FCSFDTPDE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3214 # 1j78A.408.411 read from T0147_twice.t2k.frag # found chain 1j78A in template set T0147_twice 408 :LHSRKGSED 1j78A 412 :AKLPDATPT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3215 # 1gtxA.408.410 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 408 :LHSRKGSED 1gtxA 411 :FCSFDTPDE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3216 # 1gtxA.408.411 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 408 :LHSRKGSED 1gtxA 412 :CSFDTPDES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3217 # 1g6sA.408.408 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 408 :LHSRKGSED 1g6sA 409 :TAKTFPDYF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.96076 Ang CD1(6) at 71.2623 9.94727 39.0083 in (null):L-9999 (1) and OE1(61) at 69.5603 10.2263 39.941 in (null):E-9999 (8) other bump:2.68016 Ang CD2(7) at 69.4738 8.88174 37.6241 in (null):L-9999 (1) and OE1(61) at 69.5603 10.2263 39.941 in (null):E-9999 (8) other bump:2.91028 Ang CD1(6) at 71.2623 9.94727 39.0083 in (null):L-9999 (1) and CD(60) at 69.0263 11.1951 40.3914 in (null):E-9999 (8) Number of specific fragments= 1 total=3218 # 1nsj.408.184 read from T0147_twice.t2k.frag # adding 1nsj to template set 1nsj:# found chain 1nsj in template set T0147_twice 408 :LHSRKGSED 1nsj 185 :AFPGKKDHD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26802 Ang CD2(7) at 22.2809 20.0829 54.7597 in (null):L-9999 (1) and OG(53) at 20.7594 18.8986 53.5654 in (null):S-9999 (7) other bump:2.33649 Ang CD2(7) at 22.2809 20.0829 54.7597 in (null):L-9999 (1) and CB(52) at 20.0344 19.9851 54.1251 in (null):S-9999 (7) other bump:2.93264 Ang CG(5) at 22.5103 21.5357 54.3815 in (null):L-9999 (1) and CB(52) at 20.0344 19.9851 54.1251 in (null):S-9999 (7) Number of specific fragments= 1 total=3219 # 1ho8A.408.408 read from T0147_twice.t2k.frag # found chain 1ho8A in template set T0147_twice 408 :LHSRKGSED 1ho8A 407 :RNGDVNAKQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3712 Ang CA(66) at 61.604 45.66 32.324 in (null):D-9999 (9) and CB(67) at 60.3066 45.9665 32.645 in (null):D-9999 (9) neighbor-bump: 2.23806 Ang O(54) at 63.868 46.792 33.893 in (null):S-9999 (7) and C(64) at 63.88 44.919 32.668 in (null):E-9999 (8) neighbor-bump: 2.65189 Ang C(55) at 64.699 46.394 34.714 in (null):S-9999 (7) and C(64) at 63.88 44.919 32.668 in (null):E-9999 (8) other bump:3.09851 Ang C(9) at 64.093 58.908 30.802 in (null):L-9999 (1) and CG(29) at 66.255 58.5647 32.9949 in (null):R-9999 (4) other bump:2.16227 Ang O(8) at 64.354 58.661 31.969 in (null):L-9999 (1) and CG(29) at 66.255 58.5647 32.9949 in (null):R-9999 (4) Number of specific fragments= 1 total=3220 # 1j78A.409.412 read from T0147_twice.t2k.frag # found chain 1j78A in template set T0147_twice 409 :HSRKGSEDN 1j78A 413 :KLPDATPTE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3221 # 1gtxA.409.411 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 409 :HSRKGSEDN 1gtxA 412 :CSFDTPDES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3222 # 1gtxA.409.412 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 409 :HSRKGSEDN 1gtxA 413 :SFDTPDESI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45613 Ang CD(33) at 4.89479 1.22731 0.24643 in (null):K-9999 (4) and CA(74) at 6.683 -0.371 -0.283 in (null):G-9999 (10) Number of specific fragments= 1 total=3223 # 1g6sA.409.409 read from T0147_twice.t2k.frag # found chain 1g6sA in training set T0147_twice 409 :HSRKGSEDN 1g6sA 410 :AKTFPDYFE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3224 # 1nsj.409.185 read from T0147_twice.t2k.frag # found chain 1nsj in template set T0147_twice 409 :HSRKGSEDN 1nsj 186 :FPGKKDHDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3225 # 1eps.409.409 read from T0147_twice.t2k.frag # found chain 1eps in template set Number of specific fragments= 0 total=3225 # 1j78A.410.413 read from T0147_twice.t2k.frag # found chain 1j78A in template set T0147_twice 410 :SRKGSEDNC 1j78A 414 :LPDATPTEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3226 # 1gtxA.410.412 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 410 :SRKGSEDNC 1gtxA 413 :SFDTPDESI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3227 # 1gtxA.410.413 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 410 :SRKGSEDNC 1gtxA 414 :FDTPDESIR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70345 Ang CB(21) at 2.63672 0.276451 -0.411226 in (null):K-9999 (3) and SG(66) at 4.33576 -1.36437 0.903933 in (null):C-9999 (9) other bump:2.7316 Ang CD(23) at 4.89479 1.22731 0.246429 in (null):K-9999 (3) and SG(66) at 4.33576 -1.36437 0.903933 in (null):C-9999 (9) other bump:2.67987 Ang CD(23) at 4.89479 1.22731 0.246429 in (null):K-9999 (3) and CB(65) at 6.1097 -1.05775 0.942259 in (null):C-9999 (9) other bump:2.45613 Ang CD(23) at 4.89479 1.22731 0.246429 in (null):K-9999 (3) and CA(64) at 6.683 -0.371 -0.283 in (null):C-9999 (9) Number of specific fragments= 1 total=3228 # 1qo2A.410.194 read from T0147_twice.t2k.frag # adding 1qo2A to template set 1qo2A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # found chain 1qo2A in template set T0147_twice 410 :SRKGSEDNC 1qo2A 195 :GGISSENSL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3229 # 1nsj.410.186 read from T0147_twice.t2k.frag # found chain 1nsj in template set T0147_twice 410 :SRKGSEDNC 1nsj 187 :PGKKDHDSI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3230 # 1g0cA.410.273 read from T0147_twice.t2k.frag # found chain 1g0cA in training set T0147_twice 410 :SRKGSEDNC 1g0cA 494 :DGGPYFDEA Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.3161 Ang O(36) at 5.584 61.179 26.022 in (null):S-9999 (5) and SG(66) at 7.45509 60.5447 27.2307 in (null):C-9999 (9) other bump:2.96187 Ang CB(21) at 1.83823 57.0496 23.8141 in (null):K-9999 (3) and N(32) at 4.099 58.573 24.972 in (null):S-9999 (5) neighbor-bump: 2.1606 Ang CB(21) at 1.83823 57.0496 23.8141 in (null):K-9999 (3) and C(31) at 3.857 57.813 23.914 in (null):G-9999 (4) neighbor-bump: 2.86463 Ang CG(22) at 1.04199 58.3433 23.939 in (null):K-9999 (3) and C(31) at 3.857 57.813 23.914 in (null):G-9999 (4) neighbor-bump: 2.13007 Ang CB(21) at 1.83823 57.0496 23.8141 in (null):K-9999 (3) and O(30) at 3.31 58.304 22.921 in (null):G-9999 (4) neighbor-bump: 2.48631 Ang CG(22) at 1.04199 58.3433 23.939 in (null):K-9999 (3) and O(30) at 3.31 58.304 22.921 in (null):G-9999 (4) neighbor-bump: 2.5224 Ang CB(21) at 1.83823 57.0496 23.8141 in (null):K-9999 (3) and CA(29) at 4.255 56.338 23.938 in (null):G-9999 (4) self-bump: 2.12058 Ang CB(21) at 1.83823 57.0496 23.8141 in (null):K-9999 (3) and C(27) at 2.24 55.137 22.991 in (null):K-9999 (3) self-bump: 1.29702 Ang CA(20) at 1.219 55.91 23.826 in (null):K-9999 (3) and CB(21) at 1.83823 57.0496 23.8141 in (null):K-9999 (3) neighbor-bump: 2.2274 Ang O(6) at -0.161 53.276 28.689 in (null):S-9999 (1) and CB(10) at -1.35669 54.4673 27.2356 in (null):R-9999 (2) neighbor-bump: 2.64258 Ang C(7) at 0.037 52.329 27.92 in (null):S-9999 (1) and CB(10) at -1.35669 54.4673 27.2356 in (null):R-9999 (2) Number of specific fragments= 1 total=3231 # 1gtxA.411.413 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 411 :RKGSEDNCR 1gtxA 414 :FDTPDESIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3232 # 1j78A.411.414 read from T0147_twice.t2k.frag # found chain 1j78A in template set T0147_twice 411 :RKGSEDNCR 1j78A 415 :PDATPTELA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3233 # 1gtxA.411.414 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 411 :RKGSEDNCR 1gtxA 415 :DTPDESIRN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70344 Ang CB(15) at 2.63672 0.276451 -0.411227 in (null):K-9999 (2) and SG(60) at 4.33575 -1.36436 0.903931 in (null):C-9999 (8) other bump:2.73159 Ang CD(17) at 4.89479 1.22731 0.246427 in (null):K-9999 (2) and SG(60) at 4.33575 -1.36436 0.903931 in (null):C-9999 (8) other bump:2.67986 Ang CD(17) at 4.89479 1.22731 0.246427 in (null):K-9999 (2) and CB(59) at 6.1097 -1.05775 0.94226 in (null):C-9999 (8) other bump:2.45613 Ang CD(17) at 4.89479 1.22731 0.246427 in (null):K-9999 (2) and CA(58) at 6.683 -0.371 -0.283 in (null):C-9999 (8) Number of specific fragments= 1 total=3234 # 1g0cA.411.274 read from T0147_twice.t2k.frag # found chain 1g0cA in training set T0147_twice 411 :RKGSEDNCR 1g0cA 495 :GGPYFDEAD Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31611 Ang O(30) at 5.584 61.179 26.022 in (null):S-9999 (4) and SG(60) at 7.45509 60.5447 27.2307 in (null):C-9999 (8) other bump:2.96187 Ang CB(15) at 1.83823 57.0496 23.8141 in (null):K-9999 (2) and N(26) at 4.099 58.573 24.972 in (null):S-9999 (4) neighbor-bump: 2.1606 Ang CB(15) at 1.83823 57.0496 23.8141 in (null):K-9999 (2) and C(25) at 3.857 57.813 23.914 in (null):G-9999 (3) neighbor-bump: 2.86463 Ang CG(16) at 1.04199 58.3433 23.939 in (null):K-9999 (2) and C(25) at 3.857 57.813 23.914 in (null):G-9999 (3) neighbor-bump: 2.13007 Ang CB(15) at 1.83823 57.0496 23.8141 in (null):K-9999 (2) and O(24) at 3.31 58.304 22.921 in (null):G-9999 (3) neighbor-bump: 2.48631 Ang CG(16) at 1.04199 58.3433 23.939 in (null):K-9999 (2) and O(24) at 3.31 58.304 22.921 in (null):G-9999 (3) neighbor-bump: 2.5224 Ang CB(15) at 1.83823 57.0496 23.8141 in (null):K-9999 (2) and CA(23) at 4.255 56.338 23.938 in (null):G-9999 (3) self-bump: 2.12058 Ang CB(15) at 1.83823 57.0496 23.8141 in (null):K-9999 (2) and C(21) at 2.24 55.137 22.991 in (null):K-9999 (2) self-bump: 1.29702 Ang CA(14) at 1.219 55.91 23.826 in (null):K-9999 (2) and CB(15) at 1.83823 57.0496 23.8141 in (null):K-9999 (2) neighbor-bump: 2.23063 Ang O(0) at -0.161 53.276 28.689 in (null):G-9999 (0) and CB(4) at -1.34822 54.4711 27.2268 in (null):R-9999 (1) neighbor-bump: 2.64345 Ang C(1) at 0.037 52.329 27.92 in (null):G-9999 (0) and CB(4) at -1.34822 54.4711 27.2268 in (null):R-9999 (1) Number of specific fragments= 1 total=3235 # 1nsj.411.187 read from T0147_twice.t2k.frag # found chain 1nsj in template set T0147_twice 411 :RKGSEDNCR 1nsj 188 :GKKDHDSIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3236 # 1qo2A.411.195 read from T0147_twice.t2k.frag # found chain 1qo2A in template set T0147_twice 411 :RKGSEDNCR 1qo2A 196 :GISSENSLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3237 # 1gtxA.412.414 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 412 :KGSEDNCRE 1gtxA 415 :DTPDESIRN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3238 # 1gtxA.412.415 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 412 :KGSEDNCRE 1gtxA 416 :TPDESIRNK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8273 Ang CB(4) at 2.60792 0.325034 -0.56378 in (null):K-9999 (1) and SG(49) at 4.33575 -1.36436 0.903931 in (null):C-9999 (7) other bump:1.28569 Ang CE(7) at 4.44623 1.81326 -2.70956 in (null):K-9999 (1) and OD1(43) at 4.4282 1.01691 -3.71876 in (null):N-9999 (6) other bump:1.62223 Ang NZ(8) at 4.47825 2.61646 -3.98441 in (null):K-9999 (1) and OD1(43) at 4.4282 1.01691 -3.71876 in (null):N-9999 (6) other bump:2.45968 Ang CE(7) at 4.44623 1.81326 -2.70956 in (null):K-9999 (1) and CG(41) at 4.9287 0.260376 -4.55503 in (null):N-9999 (6) other bump:2.4657 Ang NZ(8) at 4.47825 2.61646 -3.98441 in (null):K-9999 (1) and CG(41) at 4.9287 0.260376 -4.55503 in (null):N-9999 (6) Number of specific fragments= 1 total=3239 # 1j78A.412.415 read from T0147_twice.t2k.frag # found chain 1j78A in template set T0147_twice 412 :KGSEDNCRE 1j78A 416 :DATPTELAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3240 # 1g0cA.412.275 read from T0147_twice.t2k.frag # found chain 1g0cA in training set T0147_twice 412 :KGSEDNCRE 1g0cA 496 :GPYFDEADV Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31611 Ang O(19) at 5.584 61.179 26.022 in (null):S-9999 (3) and SG(49) at 7.45509 60.5447 27.2307 in (null):C-9999 (7) other bump:2.24604 Ang CE(7) at 3.76065 58.9579 24.6096 in (null):K-9999 (1) and C(20) at 5.039 60.765 24.99 in (null):S-9999 (3) other bump:1.83096 Ang NZ(8) at 4.71558 59.1491 25.788 in (null):K-9999 (1) and C(20) at 5.039 60.765 24.99 in (null):S-9999 (3) other bump:2.22022 Ang NZ(8) at 4.71558 59.1491 25.788 in (null):K-9999 (1) and O(19) at 5.584 61.179 26.022 in (null):S-9999 (3) other bump:2.54706 Ang CG(5) at 1.38855 58.0474 24.464 in (null):K-9999 (1) and OG(18) at 1.76828 59.6885 26.3745 in (null):S-9999 (3) other bump:1.49471 Ang CD(6) at 2.3556 58.9388 25.2225 in (null):K-9999 (1) and OG(18) at 1.76828 59.6885 26.3745 in (null):S-9999 (3) other bump:2.76014 Ang CE(7) at 3.76065 58.9579 24.6096 in (null):K-9999 (1) and OG(18) at 1.76828 59.6885 26.3745 in (null):S-9999 (3) other bump:1.90639 Ang CD(6) at 2.3556 58.9388 25.2225 in (null):K-9999 (1) and CB(17) at 3.07318 60.2593 26.3954 in (null):S-9999 (3) other bump:2.31418 Ang CE(7) at 3.76065 58.9579 24.6096 in (null):K-9999 (1) and CB(17) at 3.07318 60.2593 26.3954 in (null):S-9999 (3) other bump:2.07338 Ang NZ(8) at 4.71558 59.1491 25.788 in (null):K-9999 (1) and CB(17) at 3.07318 60.2593 26.3954 in (null):S-9999 (3) other bump:3.08615 Ang CG(5) at 1.38855 58.0474 24.464 in (null):K-9999 (1) and CA(16) at 3.734 59.969 25.039 in (null):S-9999 (3) other bump:1.73059 Ang CD(6) at 2.3556 58.9388 25.2225 in (null):K-9999 (1) and CA(16) at 3.734 59.969 25.039 in (null):S-9999 (3) other bump:1.09888 Ang CE(7) at 3.76065 58.9579 24.6096 in (null):K-9999 (1) and CA(16) at 3.734 59.969 25.039 in (null):S-9999 (3) other bump:1.48211 Ang NZ(8) at 4.71558 59.1491 25.788 in (null):K-9999 (1) and CA(16) at 3.734 59.969 25.039 in (null):S-9999 (3) other bump:2.87621 Ang CB(4) at 2.12718 56.7843 23.8834 in (null):K-9999 (1) and N(15) at 4.099 58.573 24.972 in (null):S-9999 (3) other bump:2.80729 Ang CG(5) at 1.38855 58.0474 24.464 in (null):K-9999 (1) and N(15) at 4.099 58.573 24.972 in (null):S-9999 (3) other bump:1.79889 Ang CD(6) at 2.3556 58.9388 25.2225 in (null):K-9999 (1) and N(15) at 4.099 58.573 24.972 in (null):S-9999 (3) other bump:0.627656 Ang CE(7) at 3.76065 58.9579 24.6096 in (null):K-9999 (1) and N(15) at 4.099 58.573 24.972 in (null):S-9999 (3) other bump:1.17382 Ang NZ(8) at 4.71558 59.1491 25.788 in (null):K-9999 (1) and N(15) at 4.099 58.573 24.972 in (null):S-9999 (3) neighbor-bump: 2.01282 Ang CB(4) at 2.12718 56.7843 23.8834 in (null):K-9999 (1) and C(14) at 3.857 57.813 23.914 in (null):G-9999 (2) neighbor-bump: 2.53981 Ang CG(5) at 1.38855 58.0474 24.464 in (null):K-9999 (1) and C(14) at 3.857 57.813 23.914 in (null):G-9999 (2) neighbor-bump: 2.28774 Ang CD(6) at 2.3556 58.9388 25.2225 in (null):K-9999 (1) and C(14) at 3.857 57.813 23.914 in (null):G-9999 (2) neighbor-bump: 1.34305 Ang CE(7) at 3.76065 58.9579 24.6096 in (null):K-9999 (1) and C(14) at 3.857 57.813 23.914 in (null):G-9999 (2) neighbor-bump: 2.45644 Ang NZ(8) at 4.71558 59.1491 25.788 in (null):K-9999 (1) and C(14) at 3.857 57.813 23.914 in (null):G-9999 (2) neighbor-bump: 2.15287 Ang CB(4) at 2.12718 56.7843 23.8834 in (null):K-9999 (1) and O(13) at 3.31 58.304 22.921 in (null):G-9999 (2) neighbor-bump: 2.47761 Ang CG(5) at 1.38855 58.0474 24.464 in (null):K-9999 (1) and O(13) at 3.31 58.304 22.921 in (null):G-9999 (2) neighbor-bump: 2.57111 Ang CD(6) at 2.3556 58.9388 25.2225 in (null):K-9999 (1) and O(13) at 3.31 58.304 22.921 in (null):G-9999 (2) neighbor-bump: 1.86598 Ang CE(7) at 3.76065 58.9579 24.6096 in (null):K-9999 (1) and O(13) at 3.31 58.304 22.921 in (null):G-9999 (2) neighbor-bump: 2.17481 Ang CB(4) at 2.12718 56.7843 23.8834 in (null):K-9999 (1) and CA(12) at 4.255 56.338 23.938 in (null):G-9999 (2) neighbor-bump: 2.17764 Ang CB(4) at 2.12718 56.7843 23.8834 in (null):K-9999 (1) and N(11) at 3.566 55.374 23.057 in (null):G-9999 (2) self-bump: 1.87689 Ang CB(4) at 2.12718 56.7843 23.8834 in (null):K-9999 (1) and C(10) at 2.24 55.137 22.991 in (null):K-9999 (1) self-bump: 1.26193 Ang CA(3) at 1.219 55.91 23.826 in (null):K-9999 (1) and CB(4) at 2.12718 56.7843 23.8834 in (null):K-9999 (1) Number of specific fragments= 1 total=3241 # 1qo2A.412.196 read from T0147_twice.t2k.frag # found chain 1qo2A in template set T0147_twice 412 :KGSEDNCRE 1qo2A 197 :ISSENSLKT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3242 # 1nsj.412.188 read from T0147_twice.t2k.frag # found chain 1nsj in template set T0147_twice 412 :KGSEDNCRE 1nsj 189 :KKDHDSIKM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.05075 Ang NH1(59) at 12.9338 11.4949 49.0292 in (null):R-9999 (8) and OE2(69) at 13.5806 11.5883 50.973 in (null):E-9999 (9) neighbor-bump: 1.83986 Ang CZ(58) at 14.1217 12.0338 49.2718 in (null):R-9999 (8) and OE2(69) at 13.5806 11.5883 50.973 in (null):E-9999 (9) neighbor-bump: 1.56552 Ang NH2(60) at 14.9032 11.438 50.149 in (null):R-9999 (8) and OE2(69) at 13.5806 11.5883 50.973 in (null):E-9999 (9) neighbor-bump: 3.03411 Ang CZ(58) at 14.1217 12.0338 49.2718 in (null):R-9999 (8) and CD(67) at 13.0748 11.7449 52.1049 in (null):E-9999 (9) Number of specific fragments= 1 total=3243 # 1gtxA.413.415 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 413 :GSEDNCREV 1gtxA 416 :TPDESIRNK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3244 # 1gtxA.413.416 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 413 :GSEDNCREV 1gtxA 417 :PDESIRNKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3245 # 1j78A.413.416 read from T0147_twice.t2k.frag # found chain 1j78A in template set T0147_twice 413 :GSEDNCREV 1j78A 417 :ATPTELAKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3246 # 1k77A.413.215 read from T0147_twice.t2k.frag # adding 1k77A to template set 1k77A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 369, because occupancy 0.5 <= existing 0.500001 Skipped atom 371, because occupancy 0.5 <= existing 0.500001 Skipped atom 373, because occupancy 0.5 <= existing 0.500001 Skipped atom 375, because occupancy 0.5 <= existing 0.500001 Skipped atom 377, because occupancy 0.5 <= existing 0.500001 Skipped atom 379, because occupancy 0.47 <= existing 0.530001 Skipped atom 383, because occupancy 0.5 <= existing 0.500001 Skipped atom 413, because occupancy 0.5 <= existing 0.500001 Skipped atom 417, because occupancy 0.5 <= existing 0.500001 Skipped atom 419, because occupancy 0.5 <= existing 0.500001 Skipped atom 421, because occupancy 0.49 <= existing 0.510001 Skipped atom 425, because occupancy 0.43 <= existing 0.570001 Skipped atom 427, because occupancy 0.42 <= existing 0.580001 Skipped atom 429, because occupancy 0.42 <= existing 0.580001 Skipped atom 785, because occupancy 0.5 <= existing 0.500001 Skipped atom 787, because occupancy 0.5 <= existing 0.500001 Skipped atom 789, because occupancy 0.5 <= existing 0.500001 Skipped atom 791, because occupancy 0.5 <= existing 0.500001 Skipped atom 793, because occupancy 0.5 <= existing 0.500001 Skipped atom 795, because occupancy 0.47 <= existing 0.530001 Skipped atom 797, because occupancy 0.43 <= existing 0.570001 Skipped atom 799, because occupancy 0.44 <= existing 0.560001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1141, because occupancy 0.5 <= existing 0.500001 Skipped atom 1145, because occupancy 0.5 <= existing 0.500001 Skipped atom 1147, because occupancy 0.5 <= existing 0.500001 Skipped atom 1149, because occupancy 0.48 <= existing 0.520001 Skipped atom 1151, because occupancy 0.43 <= existing 0.570001 Skipped atom 1858, because occupancy 0.5 <= existing 0.500001 Skipped atom 1860, because occupancy 0.5 <= existing 0.500001 Skipped atom 1862, because occupancy 0.48 <= existing 0.520001 Skipped atom 1866, because occupancy 0.41 <= existing 0.590001 Skipped atom 1870, because occupancy 0.5 <= existing 0.500001 Skipped atom 1874, because occupancy 0.5 <= existing 0.500001 Skipped atom 1878, because occupancy 0.49 <= existing 0.510001 Skipped atom 1880, because occupancy 0.49 <= existing 0.510001 Skipped atom 1884, because occupancy 0.47 <= existing 0.530001 Skipped atom 1979, because occupancy 0.5 <= existing 0.500001 Skipped atom 1981, because occupancy 0.5 <= existing 0.500001 Skipped atom 1983, because occupancy 0.49 <= existing 0.510001 Skipped atom 1993, because occupancy 0.48 <= existing 0.520001 Skipped atom 1995, because occupancy 0.5 <= existing 0.500001 Skipped atom 2034, because occupancy 0.5 <= existing 0.500001 Skipped atom 2036, because occupancy 0.5 <= existing 0.500001 Skipped atom 2038, because occupancy 0.5 <= existing 0.500001 Skipped atom 2042, because occupancy 0.5 <= existing 0.500001 Skipped atom 2050, because occupancy 0.46 <= existing 0.540001 # found chain 1k77A in template set T0147_twice 413 :GSEDNCREV 1k77A 216 :DGEINYPWL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.65759 Ang C(5) at -1.618 11.025 12.723 in (null):G-9999 (1) and CB(8) at -1.81148 8.39184 12.42 in (null):S-9999 (2) neighbor-bump: 2.22232 Ang O(4) at -0.648 10.273 12.635 in (null):G-9999 (1) and CB(8) at -1.81148 8.39184 12.42 in (null):S-9999 (2) Number of specific fragments= 1 total=3247 # 1g0cA.413.276 read from T0147_twice.t2k.frag # found chain 1g0cA in training set T0147_twice 413 :GSEDNCREV 1g0cA 497 :PYFDEADVW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31611 Ang O(10) at 5.584 61.179 26.022 in (null):S-9999 (2) and SG(40) at 7.45509 60.5447 27.2307 in (null):C-9999 (6) Number of specific fragments= 1 total=3248 # 1qo2A.413.197 read from T0147_twice.t2k.frag # found chain 1qo2A in template set T0147_twice 413 :GSEDNCREV 1qo2A 198 :SSENSLKTA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3249 # 1gtxA.414.416 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 414 :SEDNCREVA 1gtxA 417 :PDESIRNKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3250 # 1gtxA.414.417 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 414 :SEDNCREVA 1gtxA 418 :DESIRNKLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3251 # 1j78A.414.417 read from T0147_twice.t2k.frag # found chain 1j78A in template set T0147_twice 414 :SEDNCREVA 1j78A 418 :TPTELAKLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3252 # 1k77A.414.216 read from T0147_twice.t2k.frag # found chain 1k77A in template set T0147_twice 414 :SEDNCREVA 1k77A 217 :GEINYPWLF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.38785 Ang CB(4) at -3.2417 8.12131 12.1279 in (null):S-9999 (1) and N(8) at -3.891 7.395 14.308 in (null):E-9999 (2) self-bump: 2.13269 Ang CB(4) at -3.2417 8.12131 12.1279 in (null):S-9999 (1) and C(7) at -3.674 8.695 14.136 in (null):S-9999 (1) self-bump: 1.23334 Ang CA(3) at -3.107 9.144 12.804 in (null):S-9999 (1) and CB(4) at -3.2417 8.12131 12.1279 in (null):S-9999 (1) Number of specific fragments= 1 total=3253 # 1pta.414.231 read from T0147_twice.t2k.frag # found chain 1pta in template set T0147_twice 414 :SEDNCREVA 1pta 276 :SWQTRALLI Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.71051 Ang C(24) at 17.712 70.93 19.165 in (null):D-9999 (3) and OE2(56) at 18.7796 71.9743 19.999 in (null):E-9999 (7) other bump:2.10727 Ang N(25) at 17.864 70.089 20.218 in (null):N-9999 (4) and OE2(56) at 18.7796 71.9743 19.999 in (null):E-9999 (7) other bump:2.02357 Ang CA(26) at 18.771 70.444 21.323 in (null):N-9999 (4) and OE2(56) at 18.7796 71.9743 19.999 in (null):E-9999 (7) other bump:2.15593 Ang C(32) at 20.215 70.591 20.82 in (null):N-9999 (4) and OE2(56) at 18.7796 71.9743 19.999 in (null):E-9999 (7) other bump:1.07837 Ang O(23) at 18.285 72.04 19.043 in (null):D-9999 (3) and OE2(56) at 18.7796 71.9743 19.999 in (null):E-9999 (7) other bump:2.41559 Ang O(31) at 20.876 71.576 21.131 in (null):N-9999 (4) and OE2(56) at 18.7796 71.9743 19.999 in (null):E-9999 (7) other bump:2.48352 Ang C(24) at 17.712 70.93 19.165 in (null):D-9999 (3) and OE1(55) at 17.2631 73.3726 19.1549 in (null):E-9999 (7) other bump:1.68305 Ang O(23) at 18.285 72.04 19.043 in (null):D-9999 (3) and OE1(55) at 17.2631 73.3726 19.1549 in (null):E-9999 (7) other bump:2.4003 Ang C(24) at 17.712 70.93 19.165 in (null):D-9999 (3) and CD(54) at 18.2282 73.1355 19.9592 in (null):E-9999 (7) other bump:3.06573 Ang CA(26) at 18.771 70.444 21.323 in (null):N-9999 (4) and CD(54) at 18.2282 73.1355 19.9592 in (null):E-9999 (7) other bump:1.42923 Ang O(23) at 18.285 72.04 19.043 in (null):D-9999 (3) and CD(54) at 18.2282 73.1355 19.9592 in (null):E-9999 (7) other bump:2.08726 Ang CG(11) at 17.2695 67.4639 14.9054 in (null):E-9999 (2) and NH2(47) at 16.5036 69.2982 14.2689 in (null):R-9999 (6) other bump:2.84878 Ang CG(11) at 17.2695 67.4639 14.9054 in (null):E-9999 (2) and CZ(45) at 17.4798 70.1332 13.9328 in (null):R-9999 (6) Number of specific fragments= 1 total=3254 # 1g0cA.414.277 read from T0147_twice.t2k.frag # found chain 1g0cA in training set T0147_twice 414 :SEDNCREVA 1g0cA 498 :YFDEADVWL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31611 Ang O(6) at 5.584 61.179 26.022 in (null):S-9999 (1) and SG(36) at 7.45509 60.5447 27.2307 in (null):C-9999 (5) Number of specific fragments= 1 total=3255 # 1gtxA.415.417 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 415 :EDNCREVAA 1gtxA 418 :DESIRNKLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3256 # 1gtxA.415.418 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 415 :EDNCREVAA 1gtxA 419 :ESIRNKLIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3257 # 1k77A.415.217 read from T0147_twice.t2k.frag # found chain 1k77A in template set T0147_twice 415 :EDNCREVAA 1k77A 218 :EINYPWLFR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3258 # 1j78A.415.418 read from T0147_twice.t2k.frag # found chain 1j78A in template set T0147_twice 415 :EDNCREVAA 1j78A 419 :PTELAKLVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3259 # 7a3hA.415.241 read from T0147_twice.t2k.frag # found chain 7a3hA in training set T0147_twice 415 :EDNCREVAA 7a3hA 242 :LDEAQVWID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3260 # 1a3h.415.238 read from T0147_twice.t2k.frag # adding 1a3h to template set 1a3h:Skipped atom 181, because occupancy 0.34 <= existing 0.660001 Skipped atom 183, because occupancy 0.34 <= existing 0.660001 Skipped atom 185, because occupancy 0.34 <= existing 0.660001 Skipped atom 350, because occupancy 0.48 <= existing 0.520001 Skipped atom 352, because occupancy 0.48 <= existing 0.520001 Skipped atom 354, because occupancy 0.48 <= existing 0.520001 Skipped atom 356, because occupancy 0.48 <= existing 0.520001 Skipped atom 368, because occupancy 0.32 <= existing 0.680001 Skipped atom 370, because occupancy 0.32 <= existing 0.680001 Skipped atom 372, because occupancy 0.32 <= existing 0.680001 Skipped atom 374, because occupancy 0.32 <= existing 0.680001 # found chain 1a3h in template set T0147_twice 415 :EDNCREVAA 1a3h 242 :LDEAQVWID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3261 # 1gtxA.416.418 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 416 :DNCREVAAA 1gtxA 419 :ESIRNKLIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3262 # 1gtxA.416.419 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 416 :DNCREVAAA 1gtxA 420 :SIRNKLISI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3263 # 1k77A.416.218 read from T0147_twice.t2k.frag # found chain 1k77A in template set T0147_twice 416 :DNCREVAAA 1k77A 219 :INYPWLFRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3264 # 1j78A.416.419 read from T0147_twice.t2k.frag # found chain 1j78A in template set T0147_twice 416 :DNCREVAAA 1j78A 420 :TELAKLVNK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3265 # 1a3h.416.239 read from T0147_twice.t2k.frag # found chain 1a3h in template set T0147_twice 416 :DNCREVAAA 1a3h 243 :DEAQVWIDF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3266 # 7a3hA.416.242 read from T0147_twice.t2k.frag # found chain 7a3hA in training set T0147_twice 416 :DNCREVAAA 7a3hA 243 :DEAQVWIDF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3267 # 1gtxA.417.419 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 417 :NCREVAAAV 1gtxA 420 :SIRNKLISI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3268 # 1gtxA.417.420 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 417 :NCREVAAAV 1gtxA 421 :IRNKLISIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3269 # 1k77A.417.219 read from T0147_twice.t2k.frag # found chain 1k77A in template set T0147_twice 417 :NCREVAAAV 1k77A 220 :NYPWLFRLF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3270 # 1j78A.417.420 read from T0147_twice.t2k.frag # found chain 1j78A in template set T0147_twice 417 :NCREVAAAV 1j78A 421 :ELAKLVNKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3271 # 7a3hA.417.243 read from T0147_twice.t2k.frag # found chain 7a3hA in training set T0147_twice 417 :NCREVAAAV 7a3hA 244 :EAQVWIDFM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3272 # 1a3h.417.240 read from T0147_twice.t2k.frag # found chain 1a3h in template set T0147_twice 417 :NCREVAAAV 1a3h 244 :EAQVWIDFM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3273 # 1gtxA.418.420 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 418 :CREVAAAVR 1gtxA 421 :IRNKLISIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3274 # 1gtxA.418.421 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 418 :CREVAAAVR 1gtxA 422 :RNKLISIAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3275 # 1k77A.418.220 read from T0147_twice.t2k.frag # found chain 1k77A in template set T0147_twice 418 :CREVAAAVR 1k77A 221 :YPWLFRLFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3276 # 1a3h.418.241 read from T0147_twice.t2k.frag # found chain 1a3h in template set T0147_twice 418 :CREVAAAVR 1a3h 245 :AQVWIDFMD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3277 # 7a3hA.418.244 read from T0147_twice.t2k.frag # found chain 7a3hA in training set T0147_twice 418 :CREVAAAVR 7a3hA 245 :AQVWIDFMD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3278 # 1j78A.418.421 read from T0147_twice.t2k.frag # found chain 1j78A in template set T0147_twice 418 :CREVAAAVR 1j78A 422 :LAKLVNKRS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3279 # 1gtxA.419.421 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 419 :REVAAAVRD 1gtxA 422 :RNKLISIAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3280 # 1gtxA.419.422 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 419 :REVAAAVRD 1gtxA 423 :NKLISIARN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3281 # 1k77A.419.221 read from T0147_twice.t2k.frag # found chain 1k77A in template set T0147_twice 419 :REVAAAVRD 1k77A 222 :PWLFRLFDE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3282 # 7a3hA.419.245 read from T0147_twice.t2k.frag # found chain 7a3hA in training set T0147_twice 419 :REVAAAVRD 7a3hA 246 :QVWIDFMDE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3283 # 1a3h.419.242 read from T0147_twice.t2k.frag # found chain 1a3h in template set T0147_twice 419 :REVAAAVRD 1a3h 246 :QVWIDFMDE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3284 # 1hzyA.419.247 read from T0147_twice.t2k.frag # found chain 1hzyA in template set T0147_twice 419 :REVAAAVRD 1hzyA 281 :ALLIKALID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3285 # 1gtxA.420.423 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 420 :EVAAAVRDA 1gtxA 424 :KLISIARNK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3286 # 1gtxA.420.422 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 420 :EVAAAVRDA 1gtxA 423 :NKLISIARN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3287 # 1k77A.420.222 read from T0147_twice.t2k.frag # found chain 1k77A in template set T0147_twice 420 :EVAAAVRDA 1k77A 223 :WLFRLFDEV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3288 # 1a3h.420.243 read from T0147_twice.t2k.frag # found chain 1a3h in template set T0147_twice 420 :EVAAAVRDA 1a3h 247 :VWIDFMDER Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.23965 Ang O(26) at 81.691 33.652 29.405 in (null):A-9999 (4) and OD2(56) at 83.1844 31.9967 29.6187 in (null):D-9999 (8) Number of specific fragments= 1 total=3289 # 7a3hA.420.246 read from T0147_twice.t2k.frag # found chain 7a3hA in training set T0147_twice 420 :EVAAAVRDA 7a3hA 247 :VWIDFMDER Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.25507 Ang O(26) at 81.562 33.736 29.374 in (null):A-9999 (4) and OD2(56) at 83.059 32.0803 29.6947 in (null):D-9999 (8) Number of specific fragments= 1 total=3290 # 1hzyA.420.248 read from T0147_twice.t2k.frag # found chain 1hzyA in template set T0147_twice 420 :EVAAAVRDA 1hzyA 282 :LLIKALIDQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3291 # 1gtxA.421.424 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 421 :VAAAVRDAG 1gtxA 425 :LISIARNKG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3292 # 1gtxA.421.423 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 421 :VAAAVRDAG 1gtxA 424 :KLISIARNK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3293 # 1a3h.421.244 read from T0147_twice.t2k.frag # found chain 1a3h in template set T0147_twice 421 :VAAAVRDAG 1a3h 248 :WIDFMDERN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.23965 Ang O(17) at 81.691 33.652 29.405 in (null):A-9999 (3) and OD2(47) at 83.1844 31.9967 29.6187 in (null):D-9999 (7) Number of specific fragments= 1 total=3294 # 7a3hA.421.247 read from T0147_twice.t2k.frag # found chain 7a3hA in training set T0147_twice 421 :VAAAVRDAG 7a3hA 248 :WIDFMDERN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.25507 Ang O(17) at 81.562 33.736 29.374 in (null):A-9999 (3) and OD2(47) at 83.059 32.0803 29.6947 in (null):D-9999 (7) Number of specific fragments= 1 total=3295 # 1k77A.421.223 read from T0147_twice.t2k.frag # found chain 1k77A in template set T0147_twice 421 :VAAAVRDAG 1k77A 224 :LFRLFDEVG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3296 # 1hzyA.421.249 read from T0147_twice.t2k.frag # found chain 1hzyA in template set T0147_twice 421 :VAAAVRDAG 1hzyA 283 :LIKALIDQG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3297 # 1gtxA.422.424 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 422 :AAAVRDAGG 1gtxA 425 :LISIARNKG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3298 # 1gtxA.422.425 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 422 :AAAVRDAGG 1gtxA 426 :ISIARNKGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3299 # 7a3hA.422.248 read from T0147_twice.t2k.frag # found chain 7a3hA in training set T0147_twice 422 :AAAVRDAGG 7a3hA 249 :IDFMDERNL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45035 Ang CG1(20) at 75.6862 35.1414 27.1453 in (null):V-9999 (4) and O(54) at 74.499 34.76 25.036 in (null):G-9999 (9) other bump:2.25507 Ang O(10) at 81.562 33.736 29.374 in (null):A-9999 (2) and OD2(40) at 83.059 32.0803 29.6947 in (null):D-9999 (6) Number of specific fragments= 1 total=3300 # 1a3h.422.245 read from T0147_twice.t2k.frag # found chain 1a3h in template set T0147_twice 422 :AAAVRDAGG 1a3h 249 :IDFMDERNL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38591 Ang CG1(20) at 75.7033 35.0167 27.1536 in (null):V-9999 (4) and O(54) at 74.545 34.782 25.081 in (null):G-9999 (9) other bump:2.23965 Ang O(10) at 81.691 33.652 29.405 in (null):A-9999 (2) and OD2(40) at 83.1844 31.9967 29.6187 in (null):D-9999 (6) Number of specific fragments= 1 total=3301 # 1k77A.422.224 read from T0147_twice.t2k.frag # found chain 1k77A in template set T0147_twice 422 :AAAVRDAGG 1k77A 225 :FRLFDEVGY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3302 # 1frpA.422.284 read from T0147_twice.t2k.frag # adding 1frpA to template set 1frpA:# found chain 1frpA in template set T0147_twice 422 :AAAVRDAGG 1frpA 285 :AYVMEKAGG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04481 Ang O(10) at 30.444 107.132 -3.144 in (null):A-9999 (2) and OD2(40) at 29.8351 105.842 -4.60917 in (null):D-9999 (6) Number of specific fragments= 1 total=3303 # 1gtxA.423.425 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 423 :AAVRDAGGW 1gtxA 426 :ISIARNKGV Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54731 Ang NE(24) at 9.75657 8.54213 1.38534 in (null):R-9999 (4) and CZ3(61) at 10.2247 8.81965 3.87383 in (null):W-9999 (9) other bump:2.81437 Ang CZ(25) at 9.1437 7.40356 1.69514 in (null):R-9999 (4) and CZ3(61) at 10.2247 8.81965 3.87383 in (null):W-9999 (9) other bump:2.22609 Ang CD(23) at 11.0984 8.90334 1.82805 in (null):R-9999 (4) and CZ3(61) at 10.2247 8.81965 3.87383 in (null):W-9999 (9) other bump:2.76192 Ang NH1(26) at 9.75163 6.50036 2.45072 in (null):R-9999 (4) and CZ3(61) at 10.2247 8.81965 3.87383 in (null):W-9999 (9) other bump:2.45548 Ang NE(24) at 9.75657 8.54213 1.38534 in (null):R-9999 (4) and CE3(58) at 11.2129 9.51598 3.10584 in (null):W-9999 (9) other bump:3.27627 Ang CZ(25) at 9.1437 7.40356 1.69514 in (null):R-9999 (4) and CE3(58) at 11.2129 9.51598 3.10584 in (null):W-9999 (9) other bump:1.42168 Ang CD(23) at 11.0984 8.90334 1.82805 in (null):R-9999 (4) and CE3(58) at 11.2129 9.51598 3.10584 in (null):W-9999 (9) other bump:2.59691 Ang CG(22) at 12.0409 9.18781 0.66643 in (null):R-9999 (4) and CE3(58) at 11.2129 9.51598 3.10584 in (null):W-9999 (9) other bump:2.62007 Ang CD(23) at 11.0984 8.90334 1.82805 in (null):R-9999 (4) and CD2(56) at 11.4225 10.8297 3.57419 in (null):W-9999 (9) Number of specific fragments= 1 total=3304 # 1gtxA.423.426 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 423 :AAVRDAGGW 1gtxA 427 :SIARNKGVM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3305 # 7a3hA.423.249 read from T0147_twice.t2k.frag # found chain 7a3hA in training set T0147_twice 423 :AAVRDAGGW 7a3hA 250 :DFMDERNLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45035 Ang CG1(15) at 75.6862 35.1414 27.1453 in (null):V-9999 (3) and O(49) at 74.499 34.76 25.036 in (null):G-9999 (8) other bump:2.25507 Ang O(5) at 81.562 33.736 29.374 in (null):A-9999 (1) and OD2(35) at 83.059 32.0803 29.6947 in (null):D-9999 (5) Number of specific fragments= 1 total=3306 # 1a3h.423.246 read from T0147_twice.t2k.frag # found chain 1a3h in template set T0147_twice 423 :AAVRDAGGW 1a3h 250 :DFMDERNLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38591 Ang CG1(15) at 75.7033 35.0167 27.1536 in (null):V-9999 (3) and O(49) at 74.545 34.782 25.081 in (null):G-9999 (8) other bump:2.23965 Ang O(5) at 81.691 33.652 29.405 in (null):A-9999 (1) and OD2(35) at 83.1844 31.9967 29.6187 in (null):D-9999 (5) Number of specific fragments= 1 total=3307 # 1frpA.423.285 read from T0147_twice.t2k.frag # found chain 1frpA in template set T0147_twice 423 :AAVRDAGGW 1frpA 286 :YVMEKAGGL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04481 Ang O(5) at 30.444 107.132 -3.144 in (null):A-9999 (1) and OD2(35) at 29.8351 105.842 -4.60917 in (null):D-9999 (5) Number of specific fragments= 1 total=3308 # 5fbpA.423.285 read from T0147_twice.t2k.frag # adding 5fbpA to template set 5fbpA:# found chain 5fbpA in template set T0147_twice 423 :AAVRDAGGW 5fbpA 286 :YVMEKAGGL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22454 Ang CG1(15) at 31.709 104.332 16.5004 in (null):V-9999 (3) and C(50) at 30.18 107.155 16.199 in (null):G-9999 (8) other bump:3.28767 Ang CG1(15) at 31.709 104.332 16.5004 in (null):V-9999 (3) and CA(48) at 29.586 106.376 15.043 in (null):G-9999 (8) other bump:2.8314 Ang C(6) at 38.038 104.897 14.911 in (null):A-9999 (1) and OD2(35) at 38.617 106.33 12.5387 in (null):D-9999 (5) other bump:1.91028 Ang O(5) at 37.64 105.694 14.052 in (null):A-9999 (1) and OD2(35) at 38.617 106.33 12.5387 in (null):D-9999 (5) Number of specific fragments= 1 total=3309 # 1gtxA.424.426 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 424 :AVRDAGGWV 1gtxA 427 :SIARNKGVM Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15477 Ang CD(18) at 11.0984 8.90334 1.82805 in (null):R-9999 (3) and CD1(50) at 11.0871 10.5857 3.17434 in (null):W-9999 (8) other bump:3.02443 Ang NE(19) at 9.75657 8.54213 1.38534 in (null):R-9999 (3) and CD1(50) at 11.0871 10.5857 3.17434 in (null):W-9999 (8) other bump:3.06432 Ang CD(18) at 11.0984 8.90334 1.82805 in (null):R-9999 (3) and CG(49) at 12.059 11.5279 3.08462 in (null):W-9999 (8) Number of specific fragments= 1 total=3310 # 1gtxA.424.427 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 424 :AVRDAGGWV 1gtxA 428 :IARNKGVML Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3311 # 1a3h.424.247 read from T0147_twice.t2k.frag # found chain 1a3h in template set T0147_twice 424 :AVRDAGGWV 1a3h 251 :FMDERNLSW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.03114 Ang C(59) at 71.507 36.022 24.759 in (null):W-9999 (8) and CG1(63) at 72.4255 36.8495 27.5266 in (null):V-9999 (9) other bump:2.38591 Ang CG1(10) at 75.7033 35.0167 27.1536 in (null):V-9999 (2) and O(44) at 74.545 34.782 25.081 in (null):G-9999 (7) other bump:2.23965 Ang O(0) at 81.691 33.652 29.405 in (null):G-9999 (0) and OD2(30) at 83.1844 31.9967 29.6187 in (null):D-9999 (4) Number of specific fragments= 1 total=3312 # 7a3hA.424.250 read from T0147_twice.t2k.frag # found chain 7a3hA in training set T0147_twice 424 :AVRDAGGWV 7a3hA 251 :FMDERNLSW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.02233 Ang C(59) at 71.457 35.972 24.758 in (null):W-9999 (8) and CG1(63) at 72.3523 36.8376 27.5118 in (null):V-9999 (9) other bump:2.45035 Ang CG1(10) at 75.6862 35.1414 27.1453 in (null):V-9999 (2) and O(44) at 74.499 34.76 25.036 in (null):G-9999 (7) other bump:2.25507 Ang O(0) at 81.562 33.736 29.374 in (null):G-9999 (0) and OD2(30) at 83.059 32.0803 29.6947 in (null):D-9999 (4) Number of specific fragments= 1 total=3313 # 1frpA.424.286 read from T0147_twice.t2k.frag # found chain 1frpA in template set T0147_twice 424 :AVRDAGGWV 1frpA 287 :VMEKAGGLA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04481 Ang O(0) at 30.444 107.132 -3.144 in (null):G-9999 (0) and OD2(30) at 29.8351 105.842 -4.60917 in (null):D-9999 (4) Number of specific fragments= 1 total=3314 # 5fbpA.424.286 read from T0147_twice.t2k.frag # found chain 5fbpA in template set T0147_twice 424 :AVRDAGGWV 5fbpA 287 :VMEKAGGLA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22454 Ang CG1(10) at 31.709 104.332 16.5004 in (null):V-9999 (2) and C(45) at 30.18 107.155 16.199 in (null):G-9999 (7) other bump:3.28767 Ang CG1(10) at 31.709 104.332 16.5004 in (null):V-9999 (2) and CA(43) at 29.586 106.376 15.043 in (null):G-9999 (7) other bump:2.8314 Ang C(1) at 38.038 104.897 14.911 in (null):G-9999 (0) and OD2(30) at 38.617 106.33 12.5387 in (null):D-9999 (4) other bump:1.91028 Ang O(0) at 37.64 105.694 14.052 in (null):G-9999 (0) and OD2(30) at 38.617 106.33 12.5387 in (null):D-9999 (4) Number of specific fragments= 1 total=3315 # 1gtxA.425.427 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 425 :VRDAGGWVA 1gtxA 428 :IARNKGVML Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38217 Ang NH1(16) at 9.75163 6.50036 2.45072 in (null):R-9999 (2) and CB(64) at 10.563 6.886 4.657 in (null):A-9999 (9) other bump:2.15477 Ang CD(13) at 11.0984 8.90334 1.82805 in (null):R-9999 (2) and CD1(45) at 11.0871 10.5857 3.17434 in (null):W-9999 (7) other bump:3.02443 Ang NE(14) at 9.75657 8.54213 1.38534 in (null):R-9999 (2) and CD1(45) at 11.0871 10.5857 3.17434 in (null):W-9999 (7) other bump:3.06432 Ang CD(13) at 11.0984 8.90334 1.82805 in (null):R-9999 (2) and CG(44) at 12.059 11.5279 3.08462 in (null):W-9999 (7) Number of specific fragments= 1 total=3316 # 1gtxA.425.428 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 425 :VRDAGGWVA 1gtxA 429 :ARNKGVMLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3317 # 1a3h.425.248 read from T0147_twice.t2k.frag # found chain 1a3h in template set T0147_twice 425 :VRDAGGWVA 1a3h 252 :MDERNLSWA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.3859 Ang CG1(5) at 75.7033 35.0167 27.1536 in (null):V-9999 (1) and O(39) at 74.545 34.782 25.081 in (null):G-9999 (6) Number of specific fragments= 1 total=3318 # 7a3hA.425.251 read from T0147_twice.t2k.frag # found chain 7a3hA in training set T0147_twice 425 :VRDAGGWVA 7a3hA 252 :MDERNLSWA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45035 Ang CG1(5) at 75.6862 35.1414 27.1453 in (null):V-9999 (1) and O(39) at 74.499 34.76 25.036 in (null):G-9999 (6) Number of specific fragments= 1 total=3319 # 1frpA.425.287 read from T0147_twice.t2k.frag # found chain 1frpA in template set T0147_twice 425 :VRDAGGWVA 1frpA 288 :MEKAGGLAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3320 # 5fbpA.425.287 read from T0147_twice.t2k.frag # found chain 5fbpA in template set T0147_twice 425 :VRDAGGWVA 5fbpA 288 :MEKAGGLAT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22454 Ang CG1(5) at 31.709 104.332 16.5004 in (null):V-9999 (1) and C(40) at 30.18 107.155 16.199 in (null):G-9999 (6) other bump:3.28767 Ang CG1(5) at 31.709 104.332 16.5004 in (null):V-9999 (1) and CA(38) at 29.586 106.376 15.043 in (null):G-9999 (6) Number of specific fragments= 1 total=3321 # 1gtxA.426.428 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 426 :RDAGGWVAL 1gtxA 429 :ARNKGVMLG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56525 Ang NH1(9) at 8.88262 9.16741 2.86325 in (null):R-9999 (1) and NE1(42) at 10.2405 10.8655 4.22453 in (null):W-9999 (6) other bump:2.5976 Ang CZ(8) at 9.29138 10.0384 1.95239 in (null):R-9999 (1) and NE1(42) at 10.2405 10.8655 4.22453 in (null):W-9999 (6) other bump:2.29294 Ang NH2(10) at 9.28323 11.3727 2.20363 in (null):R-9999 (1) and NE1(42) at 10.2405 10.8655 4.22453 in (null):W-9999 (6) other bump:3.05124 Ang NH2(10) at 9.28323 11.3727 2.20363 in (null):R-9999 (1) and CE2(40) at 10.6877 12.0042 4.83777 in (null):W-9999 (6) other bump:2.96518 Ang NE(7) at 9.67545 9.61546 0.754009 in (null):R-9999 (1) and CD1(38) at 11.0871 10.5857 3.17434 in (null):W-9999 (6) other bump:2.63975 Ang NH1(9) at 8.88262 9.16741 2.86325 in (null):R-9999 (1) and CD1(38) at 11.0871 10.5857 3.17434 in (null):W-9999 (6) other bump:2.23996 Ang CZ(8) at 9.29138 10.0384 1.95239 in (null):R-9999 (1) and CD1(38) at 11.0871 10.5857 3.17434 in (null):W-9999 (6) other bump:2.19449 Ang NH2(10) at 9.28323 11.3727 2.20363 in (null):R-9999 (1) and CD1(38) at 11.0871 10.5857 3.17434 in (null):W-9999 (6) Number of specific fragments= 1 total=3322 # 1gtxA.426.429 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 426 :RDAGGWVAL 1gtxA 430 :RNKGVMLGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3323 # 1bjwA.426.341 read from T0147_twice.t2k.frag # adding 1bjwA to template set 1bjwA:Bad short name: N1 for alphabet: pdb_atoms Bad short name: C2 for alphabet: pdb_atoms Bad short name: C2A for alphabet: pdb_atoms Bad short name: C3 for alphabet: pdb_atoms Bad short name: O3 for alphabet: pdb_atoms Bad short name: C4 for alphabet: pdb_atoms Bad short name: C4A for alphabet: pdb_atoms Bad short name: C5 for alphabet: pdb_atoms Bad short name: C6 for alphabet: pdb_atoms Bad short name: C5A for alphabet: pdb_atoms Bad short name: O4P for alphabet: pdb_atoms Bad short name: P for alphabet: pdb_atoms Bad short name: O1P for alphabet: pdb_atoms Bad short name: O2P for alphabet: pdb_atoms Bad short name: O3P for alphabet: pdb_atoms # found chain 1bjwA in template set T0147_twice 426 :RDAGGWVAL 1bjwA 342 :LEAGVAVVP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13553 Ang NE(7) at 46.4704 51.3575 45.7304 in (null):R-9999 (1) and CZ3(44) at 45.6857 54.2531 44.8185 in (null):W-9999 (6) other bump:3.10362 Ang NE(7) at 46.4704 51.3575 45.7304 in (null):R-9999 (1) and CE3(41) at 44.4982 53.5298 44.7182 in (null):W-9999 (6) Number of specific fragments= 1 total=3324 # 1frpA.426.288 read from T0147_twice.t2k.frag # found chain 1frpA in template set T0147_twice 426 :RDAGGWVAL 1frpA 289 :EKAGGLATT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3325 # 5fbpA.426.288 read from T0147_twice.t2k.frag # found chain 5fbpA in template set T0147_twice 426 :RDAGGWVAL 5fbpA 289 :EKAGGLATT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3326 # 1rdzA.426.288 read from T0147_twice.t2k.frag # adding 1rdzA to template set 1rdzA:# found chain 1rdzA in template set T0147_twice 426 :RDAGGWVAL 1rdzA 289 :EKAGGLATT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3327 # 1gtxA.427.429 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 427 :DAGGWVALG 1gtxA 430 :RNKGVMLGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3328 # 1gtxA.427.430 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 427 :DAGGWVALG 1gtxA 431 :NKGVMLGGC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3329 # 1bjwA.427.342 read from T0147_twice.t2k.frag # found chain 1bjwA in template set T0147_twice 427 :DAGGWVALG 1bjwA 343 :EAGVAVVPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3330 # 1b8gA.427.384 read from T0147_twice.t2k.frag # adding 1b8gA to template set 1b8gA:Skipped atom 611, because occupancy 0.48 <= existing 0.520001 Skipped atom 613, because occupancy 0.48 <= existing 0.520001 Skipped atom 615, because occupancy 0.48 <= existing 0.520001 Skipped atom 617, because occupancy 0.48 <= existing 0.520001 Skipped atom 619, because occupancy 0.48 <= existing 0.520001 Skipped atom 621, because occupancy 0.48 <= existing 0.520001 Skipped atom 623, because occupancy 0.48 <= existing 0.520001 Skipped atom 625, because occupancy 0.48 <= existing 0.520001 # found chain 1b8gA in template set T0147_twice 427 :DAGGWVALG 1b8gA 387 :EVHLNISPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3331 # 1a3h.427.250 read from T0147_twice.t2k.frag # found chain 1a3h in template set T0147_twice 427 :DAGGWVALG 1a3h 254 :ERNLSWANW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3332 # 7a3hA.427.253 read from T0147_twice.t2k.frag # found chain 7a3hA in training set T0147_twice 427 :DAGGWVALG 7a3hA 254 :ERNLSWANW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3333 # 1gtxA.428.430 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 428 :AGGWVALGS 1gtxA 431 :NKGVMLGGC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3334 # 1bjwA.428.343 read from T0147_twice.t2k.frag # found chain 1bjwA in template set T0147_twice 428 :AGGWVALGS 1bjwA 344 :AGVAVVPGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3335 # 1b8gA.428.385 read from T0147_twice.t2k.frag # found chain 1b8gA in template set T0147_twice 428 :AGGWVALGS 1b8gA 388 :VHLNISPGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3336 # 1gtxA.428.431 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 428 :AGGWVALGS 1gtxA 432 :KGVMLGGCG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38709 Ang CA(54) at 3.535 -3.701 9.093 in (null):S-9999 (9) and CB(55) at 2.15481 -3.56375 9.10854 in (null):S-9999 (9) Number of specific fragments= 1 total=3337 # 1ktbA.428.259 read from T0147_twice.t2k.frag # adding 1ktbA to template set 1ktbA:# found chain 1ktbA in template set T0147_twice 428 :AGGWVALGS 1ktbA 260 :MAAPLLMST Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3338 # 2bnh.428.430 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 428 :AGGWVALGS 2bnh 430 :YDTYWTEEV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.98447 Ang C(28) at -9.126 33.164 1.172 in (null):W-9999 (4) and CG1(32) at -8.90295 35.4064 -0.784738 in (null):V-9999 (5) Number of specific fragments= 1 total=3339 # 1bjwA.429.344 read from T0147_twice.t2k.frag # found chain 1bjwA in template set T0147_twice 429 :GGWVALGSD 1bjwA 345 :GVAVVPGTD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3340 # 1b8gA.429.386 read from T0147_twice.t2k.frag # found chain 1b8gA in template set T0147_twice 429 :GGWVALGSD 1b8gA 389 :HLNISPGSS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.1336 Ang O(42) at 16.027 24.178 116.211 in (null):L-9999 (6) and OD1(58) at 15.7079 23.7693 115.203 in (null):D-9999 (9) other bump:2.30271 Ang C(43) at 16.125 24.169 117.432 in (null):L-9999 (6) and OD1(58) at 15.7079 23.7693 115.203 in (null):D-9999 (9) other bump:2.32032 Ang O(42) at 16.027 24.178 116.211 in (null):L-9999 (6) and CG(57) at 15.961 23.2321 114.093 in (null):D-9999 (9) Number of specific fragments= 1 total=3341 # 1gtxA.429.431 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 429 :GGWVALGSD 1gtxA 432 :KGVMLGGCG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48915 Ang CB(56) at 2.438 -4.28138 9.12227 in (null):D-9999 (9) and N(62) at 3.407 -4.736 6.875 in (null):G-9999 (10) self-bump: 2.16985 Ang CB(56) at 2.438 -4.28138 9.12227 in (null):D-9999 (9) and C(61) at 4.189 -4.257 7.841 in (null):D-9999 (9) self-bump: 1.24141 Ang CA(55) at 3.535 -3.701 9.093 in (null):D-9999 (9) and CB(56) at 2.438 -4.28138 9.12227 in (null):D-9999 (9) Number of specific fragments= 1 total=3342 # 1gtxA.429.432 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 429 :GGWVALGSD 1gtxA 433 :GVMLGGCGD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37234 Ang CA(49) at 3.535 -3.701 9.093 in (null):S-9999 (8) and CB(50) at 2.1661 -3.69948 9.19009 in (null):S-9999 (8) Number of specific fragments= 1 total=3343 # 1bj4A.429.336 read from T0147_twice.t2k.frag # adding 1bj4A to template set 1bj4A:# found chain 1bj4A in template set T0147_twice 429 :GGWVALGSD 1bj4A 347 :YKIVTGGSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3344 # 1dfoA.429.306 read from T0147_twice.t2k.frag # adding 1dfoA to template set 1dfoA:# found chain 1dfoA in template set T0147_twice 429 :GGWVALGSD 1dfoA 307 :YKVVSGGTD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35283 Ang O(4) at 9.268 80.618 24.868 in (null):G-9999 (1) and CZ3(20) at 9.3093 82.7606 23.8967 in (null):W-9999 (3) other bump:3.35134 Ang C(5) at 10.108 79.834 25.321 in (null):G-9999 (1) and CZ3(20) at 9.3093 82.7606 23.8967 in (null):W-9999 (3) other bump:2.30628 Ang O(4) at 9.268 80.618 24.868 in (null):G-9999 (1) and CE3(17) at 8.48045 82.7804 25.018 in (null):W-9999 (3) Number of specific fragments= 1 total=3345 # 1bjwA.430.345 read from T0147_twice.t2k.frag # found chain 1bjwA in template set T0147_twice 430 :GWVALGSDS 1bjwA 346 :VAVVPGTDF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3346 # 1bj4A.430.337 read from T0147_twice.t2k.frag # found chain 1bj4A in template set T0147_twice 430 :GWVALGSDS 1bj4A 348 :KIVTGGSDN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3347 # 1b8gA.430.387 read from T0147_twice.t2k.frag # found chain 1b8gA in template set T0147_twice 430 :GWVALGSDS 1b8gA 390 :LNISPGSSC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3348 # 1dfoA.430.307 read from T0147_twice.t2k.frag # found chain 1dfoA in template set T0147_twice 430 :GWVALGSDS 1dfoA 308 :KVVSGGTDN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35283 Ang O(0) at 9.268 80.618 24.868 in (null):G-9999 (0) and CZ3(16) at 9.3093 82.7606 23.8967 in (null):W-9999 (2) other bump:3.35134 Ang C(1) at 10.108 79.834 25.321 in (null):G-9999 (0) and CZ3(16) at 9.3093 82.7606 23.8967 in (null):W-9999 (2) other bump:2.30628 Ang O(0) at 9.268 80.618 24.868 in (null):G-9999 (0) and CE3(13) at 8.48045 82.7804 25.018 in (null):W-9999 (2) Number of specific fragments= 1 total=3349 # 1gtxA.430.432 read from T0147_twice.t2k.frag # found chain 1gtxA in template set T0147_twice 430 :GWVALGSDS 1gtxA 433 :GVMLGGCGD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48915 Ang CB(52) at 2.438 -4.28138 9.12227 in (null):D-9999 (8) and N(58) at 3.407 -4.736 6.875 in (null):S-9999 (9) self-bump: 2.16985 Ang CB(52) at 2.438 -4.28138 9.12227 in (null):D-9999 (8) and C(57) at 4.189 -4.257 7.841 in (null):D-9999 (8) self-bump: 1.24142 Ang CA(51) at 3.535 -3.701 9.093 in (null):D-9999 (8) and CB(52) at 2.438 -4.28138 9.12227 in (null):D-9999 (8) Number of specific fragments= 1 total=3350 # 1bw0A.430.373 read from T0147_twice.t2k.frag # adding 1bw0A to template set 1bw0A:Bad short name: N1 for alphabet: pdb_atoms Bad short name: C2 for alphabet: pdb_atoms Bad short name: C2A for alphabet: pdb_atoms Bad short name: C3 for alphabet: pdb_atoms Bad short name: O3 for alphabet: pdb_atoms Bad short name: C4 for alphabet: pdb_atoms Bad short name: C4A for alphabet: pdb_atoms Bad short name: C5 for alphabet: pdb_atoms Bad short name: C6 for alphabet: pdb_atoms Bad short name: C5A for alphabet: pdb_atoms Bad short name: O4P for alphabet: pdb_atoms Bad short name: P for alphabet: pdb_atoms Bad short name: O1P for alphabet: pdb_atoms Bad short name: O2P for alphabet: pdb_atoms Bad short name: O3P for alphabet: pdb_atoms # found chain 1bw0A in template set T0147_twice 430 :GWVALGSDS 1bw0A 374 :VQVLPGTIF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3351 # 1bj4A.431.338 read from T0147_twice.t2k.frag # found chain 1bj4A in template set T0147_twice 431 :WVALGSDSH 1bj4A 349 :IVTGGSDNH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3352 # 1dfoA.431.308 read from T0147_twice.t2k.frag # found chain 1dfoA in template set T0147_twice 431 :WVALGSDSH 1dfoA 309 :VVSGGTDNH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3353 # 1bjwA.431.346 read from T0147_twice.t2k.frag # found chain 1bjwA in template set T0147_twice 431 :WVALGSDSH 1bjwA 347 :AVVPGTDFA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3354 # 1b8gA.431.388 read from T0147_twice.t2k.frag # found chain 1b8gA in template set T0147_twice 431 :WVALGSDSH 1b8gA 391 :NISPGSSCH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3355 # 1bw0A.431.374 read from T0147_twice.t2k.frag # found chain 1bw0A in template set T0147_twice 431 :WVALGSDSH 1bw0A 375 :QVLPGTIFH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3356 # 1dfcA.431.431 read from T0147_twice.t2k.frag # adding 1dfcA to template set 1dfcA:# found chain 1dfcA in template set T0147_twice 431 :WVALGSDSH 1dfcA 1432 :YWTVGSDSA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.21419 Ang N(46) at 23.758 94.431 1.295 in (null):D-9999 (7) and OD1(50) at 22.614 96.298 0.966 in (null):D-9999 (7) Number of specific fragments= 1 total=3357 # 1bj4A.432.339 read from T0147_twice.t2k.frag # found chain 1bj4A in template set T0147_twice 432 :VALGSDSHT 1bj4A 350 :VTGGSDNHL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3358 # 1dfoA.432.309 read from T0147_twice.t2k.frag # found chain 1dfoA in template set T0147_twice 432 :VALGSDSHT 1dfoA 310 :VSGGTDNHL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3359 # 1bjwA.432.347 read from T0147_twice.t2k.frag # found chain 1bjwA in template set T0147_twice 432 :VALGSDSHT 1bjwA 348 :VVPGTDFAA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31838 Ang OG(43) at 41.8951 42.7341 56.7329 in (null):S-9999 (7) and OG1(60) at 42.9359 41.2398 55.2982 in (null):T-9999 (9) other bump:2.74781 Ang CA(23) at 44.282 43.017 53.692 in (null):G-9999 (4) and OG1(60) at 42.9359 41.2398 55.2982 in (null):T-9999 (9) Number of specific fragments= 1 total=3360 # 1b8gA.432.389 read from T0147_twice.t2k.frag # found chain 1b8gA in template set T0147_twice 432 :VALGSDSHT 1b8gA 392 :ISPGSSCHC Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.02172 Ang C(25) at 14.885 26.779 116.583 in (null):G-9999 (4) and CG2(59) at 13.3621 29.101 117.774 in (null):T-9999 (9) Number of specific fragments= 1 total=3361 # 3csuA.432.247 read from T0147_twice.t2k.frag # adding 3csuA to template set 3csuA:# found chain 3csuA in template set T0147_twice 432 :VALGSDSHT 3csuA 248 :VLRASDLHN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.88635 Ang CD2(50) at -12.679 48.449 -11.56 in (null):H-9999 (8) and CG2(59) at -14.9469 46.8326 -10.8017 in (null):T-9999 (9) neighbor-bump: 2.8905 Ang NE2(53) at -12.511 47.303 -12.285 in (null):H-9999 (8) and CG2(59) at -14.9469 46.8326 -10.8017 in (null):T-9999 (9) Number of specific fragments= 1 total=3362 # 1bw0A.432.375 read from T0147_twice.t2k.frag # found chain 1bw0A in template set T0147_twice 432 :VALGSDSHT 1bw0A 376 :VLPGTIFHA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3363 # 1bj4A.433.340 read from T0147_twice.t2k.frag # found chain 1bj4A in template set T0147_twice 433 :ALGSDSHTA 1bj4A 351 :TGGSDNHLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3364 # 1dfoA.433.310 read from T0147_twice.t2k.frag # found chain 1dfoA in template set T0147_twice 433 :ALGSDSHTA 1dfoA 311 :SGGTDNHLF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3365 # 1bjwA.433.348 read from T0147_twice.t2k.frag # found chain 1bjwA in template set T0147_twice 433 :ALGSDSHTA 1bjwA 349 :VPGTDFAAF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7478 Ang CA(16) at 44.282 43.017 53.692 in (null):G-9999 (3) and OG1(53) at 42.9359 41.2398 55.2982 in (null):T-9999 (8) other bump:2.31838 Ang OG(36) at 41.8951 42.7341 56.7329 in (null):S-9999 (6) and OG1(53) at 42.9359 41.2398 55.2982 in (null):T-9999 (8) Number of specific fragments= 1 total=3366 # 3csuA.433.248 read from T0147_twice.t2k.frag # found chain 3csuA in template set T0147_twice 433 :ALGSDSHTA 3csuA 249 :LRASDLHNA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.53741 Ang CD2(43) at -12.679 48.449 -11.56 in (null):H-9999 (7) and OG1(53) at -14.5408 46.9291 -10.7464 in (null):T-9999 (8) Number of specific fragments= 1 total=3367 # 1bw0A.433.376 read from T0147_twice.t2k.frag # found chain 1bw0A in template set T0147_twice 433 :ALGSDSHTA 1bw0A 377 :LPGTIFHAP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3368 # 1b8gA.433.390 read from T0147_twice.t2k.frag # found chain 1b8gA in template set T0147_twice 433 :ALGSDSHTA 1b8gA 393 :SPGSSCHCT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.02171 Ang C(18) at 14.885 26.779 116.583 in (null):G-9999 (3) and CG2(52) at 13.3621 29.101 117.774 in (null):T-9999 (8) Number of specific fragments= 1 total=3369 # 1bj4A.434.341 read from T0147_twice.t2k.frag # found chain 1bj4A in template set T0147_twice 434 :LGSDSHTAF 1bj4A 352 :GGSDNHLIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3370 # 1dfoA.434.311 read from T0147_twice.t2k.frag # found chain 1dfoA in template set T0147_twice 434 :LGSDSHTAF 1dfoA 312 :GGTDNHLFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3371 # 3csuA.434.249 read from T0147_twice.t2k.frag # found chain 3csuA in template set T0147_twice 434 :LGSDSHTAF 3csuA 250 :RASDLHNAK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.53741 Ang CD2(38) at -12.679 48.449 -11.56 in (null):H-9999 (6) and OG1(48) at -14.5408 46.9291 -10.7464 in (null):T-9999 (7) Number of specific fragments= 1 total=3372 # 1bw0A.434.377 read from T0147_twice.t2k.frag # found chain 1bw0A in template set T0147_twice 434 :LGSDSHTAF 1bw0A 378 :PGTIFHAPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3373 # 1b8gA.434.391 read from T0147_twice.t2k.frag # found chain 1b8gA in template set T0147_twice 434 :LGSDSHTAF 1b8gA 394 :PGSSCHCTE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.02171 Ang C(13) at 14.885 26.779 116.583 in (null):G-9999 (2) and CG2(47) at 13.3621 29.101 117.774 in (null):T-9999 (7) Number of specific fragments= 1 total=3374 # 1bjwA.434.349 read from T0147_twice.t2k.frag # found chain 1bjwA in template set T0147_twice 434 :LGSDSHTAF 1bjwA 350 :PGTDFAAFG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7478 Ang CA(11) at 44.282 43.017 53.692 in (null):G-9999 (2) and OG1(48) at 42.9359 41.2398 55.2982 in (null):T-9999 (7) other bump:2.31838 Ang OG(31) at 41.8951 42.7341 56.7329 in (null):S-9999 (5) and OG1(48) at 42.9359 41.2398 55.2982 in (null):T-9999 (7) Number of specific fragments= 1 total=3375 # 1bj4A.435.342 read from T0147_twice.t2k.frag # found chain 1bj4A in template set T0147_twice 435 :GSDSHTAFT 1bj4A 353 :GSDNHLILV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3376 # 1dfoA.435.312 read from T0147_twice.t2k.frag # found chain 1dfoA in template set T0147_twice 435 :GSDSHTAFT 1dfoA 313 :GTDNHLFLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3377 # 3csuA.435.250 read from T0147_twice.t2k.frag # found chain 3csuA in template set T0147_twice 435 :GSDSHTAFT 3csuA 251 :ASDLHNAKA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.53741 Ang CD2(30) at -12.679 48.449 -11.56 in (null):H-9999 (5) and OG1(40) at -14.5408 46.9291 -10.7464 in (null):T-9999 (6) Number of specific fragments= 1 total=3378 # 1bw0A.435.378 read from T0147_twice.t2k.frag # found chain 1bw0A in template set T0147_twice 435 :GSDSHTAFT 1bw0A 379 :GTIFHAPGF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3379 # 1tfaA.435.275 read from T0147_twice.t2k.frag # adding 1tfaA to template set 1tfaA:Skipped atom 177, because occupancy 0.5 <= existing 0.500001 Skipped atom 179, because occupancy 0.5 <= existing 0.500001 Skipped atom 181, because occupancy 0.5 <= existing 0.500001 Skipped atom 183, because occupancy 0.5 <= existing 0.500001 Skipped atom 2265, because occupancy 0.46 <= existing 0.560001 Skipped atom 2267, because occupancy 0.46 <= existing 0.560001 Skipped atom 2269, because occupancy 0.46 <= existing 0.560001 Skipped atom 2271, because occupancy 0.46 <= existing 0.560001 Skipped atom 2273, because occupancy 0.46 <= existing 0.560001 # found chain 1tfaA in template set T0147_twice 435 :GSDSHTAFT 1tfaA 279 :KSDFHLFGP Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.25084 Ang CB(50) at 31.2206 59.0437 71.745 in (null):F-9999 (8) and C(65) at 27.99 59.145 71.397 in (null):T-9999 (9) neighbor-bump: 3.10556 Ang CD2(53) at 30.7652 58.1635 69.4234 in (null):F-9999 (8) and CA(60) at 29.103 58.321 72.042 in (null):T-9999 (9) neighbor-bump: 3.09924 Ang CG(51) at 31.6659 58.7143 70.3443 in (null):F-9999 (8) and CA(60) at 29.103 58.321 72.042 in (null):T-9999 (9) neighbor-bump: 2.25712 Ang CB(50) at 31.2206 59.0437 71.745 in (null):F-9999 (8) and CA(60) at 29.103 58.321 72.042 in (null):T-9999 (9) neighbor-bump: 2.13227 Ang CB(50) at 31.2206 59.0437 71.745 in (null):F-9999 (8) and N(59) at 29.693 58.94 73.229 in (null):T-9999 (9) self-bump: 2.04629 Ang CB(50) at 31.2206 59.0437 71.745 in (null):F-9999 (8) and C(58) at 30.35 60.11 73.259 in (null):F-9999 (8) neighbor-bump: 2.08987 Ang CB(45) at 34.588 60.102 69.488 in (null):A-9999 (7) and CE1(54) at 33.4066 58.5846 68.6698 in (null):F-9999 (8) neighbor-bump: 2.64545 Ang O(46) at 32.456 59.158 71.071 in (null):A-9999 (7) and CE1(54) at 33.4066 58.5846 68.6698 in (null):F-9999 (8) neighbor-bump: 3.12839 Ang C(47) at 32.814 60.335 71.194 in (null):A-9999 (7) and CE1(54) at 33.4066 58.5846 68.6698 in (null):F-9999 (8) neighbor-bump: 2.56172 Ang O(46) at 32.456 59.158 71.071 in (null):A-9999 (7) and CD2(53) at 30.7652 58.1635 69.4234 in (null):F-9999 (8) neighbor-bump: 2.3941 Ang CA(44) at 34.221 60.772 70.815 in (null):A-9999 (7) and CD1(52) at 32.9913 58.9044 69.9598 in (null):F-9999 (8) neighbor-bump: 2.05096 Ang CB(45) at 34.588 60.102 69.488 in (null):A-9999 (7) and CD1(52) at 32.9913 58.9044 69.9598 in (null):F-9999 (8) neighbor-bump: 1.25923 Ang O(46) at 32.456 59.158 71.071 in (null):A-9999 (7) and CD1(52) at 32.9913 58.9044 69.9598 in (null):F-9999 (8) neighbor-bump: 1.89774 Ang C(47) at 32.814 60.335 71.194 in (null):A-9999 (7) and CD1(52) at 32.9913 58.9044 69.9598 in (null):F-9999 (8) neighbor-bump: 1.16157 Ang O(46) at 32.456 59.158 71.071 in (null):A-9999 (7) and CG(51) at 31.6659 58.7143 70.3443 in (null):F-9999 (8) neighbor-bump: 2.16026 Ang C(47) at 32.814 60.335 71.194 in (null):A-9999 (7) and CG(51) at 31.6659 58.7143 70.3443 in (null):F-9999 (8) neighbor-bump: 1.41194 Ang O(46) at 32.456 59.158 71.071 in (null):A-9999 (7) and CB(50) at 31.2206 59.0437 71.745 in (null):F-9999 (8) neighbor-bump: 2.1237 Ang C(47) at 32.814 60.335 71.194 in (null):A-9999 (7) and CB(50) at 31.2206 59.0437 71.745 in (null):F-9999 (8) Number of specific fragments= 1 total=3380 # 1nftA.435.275 read from T0147_twice.t2k.frag # adding 1nftA to template set 1nftA:# found chain 1nftA in template set T0147_twice 435 :GSDSHTAFT 1nftA 279 :KSDFHLFGP Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.15286 Ang CB(50) at 31.0785 59.3209 71.8088 in (null):F-9999 (8) and C(65) at 27.937 59.427 71.563 in (null):T-9999 (9) neighbor-bump: 3.01296 Ang CD2(53) at 30.3887 58.7026 69.4607 in (null):F-9999 (8) and CA(60) at 29.074 58.605 72.17 in (null):T-9999 (9) neighbor-bump: 2.98812 Ang CG(51) at 31.3929 59.102 70.3522 in (null):F-9999 (8) and CA(60) at 29.074 58.605 72.17 in (null):T-9999 (9) neighbor-bump: 2.15889 Ang CB(50) at 31.0785 59.3209 71.8088 in (null):F-9999 (8) and CA(60) at 29.074 58.605 72.17 in (null):T-9999 (9) neighbor-bump: 2.11666 Ang CB(50) at 31.0785 59.3209 71.8088 in (null):F-9999 (8) and N(59) at 29.686 59.152 73.394 in (null):T-9999 (9) self-bump: 2.04578 Ang CB(50) at 31.0785 59.3209 71.8088 in (null):F-9999 (8) and C(58) at 30.401 60.287 73.48 in (null):F-9999 (8) neighbor-bump: 2.24876 Ang CB(45) at 34.519 60.128 69.762 in (null):A-9999 (7) and CE1(54) at 32.9897 59.0249 68.5368 in (null):F-9999 (8) neighbor-bump: 2.50633 Ang CA(44) at 34.196 60.854 71.079 in (null):A-9999 (7) and CD1(52) at 32.696 59.2432 69.8803 in (null):F-9999 (8) neighbor-bump: 2.02985 Ang CB(45) at 34.519 60.128 69.762 in (null):A-9999 (7) and CD1(52) at 32.696 59.2432 69.8803 in (null):F-9999 (8) neighbor-bump: 1.63377 Ang O(46) at 32.4 59.342 71.484 in (null):A-9999 (7) and CD1(52) at 32.696 59.2432 69.8803 in (null):F-9999 (8) neighbor-bump: 2.03813 Ang C(47) at 32.784 60.503 71.48 in (null):A-9999 (7) and CD1(52) at 32.696 59.2432 69.8803 in (null):F-9999 (8) neighbor-bump: 1.53391 Ang O(46) at 32.4 59.342 71.484 in (null):A-9999 (7) and CG(51) at 31.3929 59.102 70.3522 in (null):F-9999 (8) neighbor-bump: 2.27376 Ang C(47) at 32.784 60.503 71.48 in (null):A-9999 (7) and CG(51) at 31.3929 59.102 70.3522 in (null):F-9999 (8) neighbor-bump: 1.36103 Ang O(46) at 32.4 59.342 71.484 in (null):A-9999 (7) and CB(50) at 31.0785 59.3209 71.8088 in (null):F-9999 (8) neighbor-bump: 2.10105 Ang C(47) at 32.784 60.503 71.48 in (null):A-9999 (7) and CB(50) at 31.0785 59.3209 71.8088 in (null):F-9999 (8) Number of specific fragments= 1 total=3381 # 1bj4A.436.343 read from T0147_twice.t2k.frag # found chain 1bj4A in template set T0147_twice 436 :SDSHTAFTM 1bj4A 354 :SDNHLILVD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3382 # 1tfaA.436.276 read from T0147_twice.t2k.frag # found chain 1tfaA in template set T0147_twice 436 :SDSHTAFTM 1tfaA 280 :SDFHLFGPP Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.25084 Ang CB(46) at 31.2206 59.0437 71.745 in (null):F-9999 (7) and C(61) at 27.99 59.145 71.397 in (null):T-9999 (8) neighbor-bump: 3.10556 Ang CD2(49) at 30.7652 58.1635 69.4234 in (null):F-9999 (7) and CA(56) at 29.103 58.321 72.042 in (null):T-9999 (8) neighbor-bump: 2.25712 Ang CB(46) at 31.2206 59.0437 71.745 in (null):F-9999 (7) and CA(56) at 29.103 58.321 72.042 in (null):T-9999 (8) neighbor-bump: 3.09924 Ang CG(47) at 31.6659 58.7143 70.3443 in (null):F-9999 (7) and CA(56) at 29.103 58.321 72.042 in (null):T-9999 (8) neighbor-bump: 2.13227 Ang CB(46) at 31.2206 59.0437 71.745 in (null):F-9999 (7) and N(55) at 29.693 58.94 73.229 in (null):T-9999 (8) self-bump: 2.04629 Ang CB(46) at 31.2206 59.0437 71.745 in (null):F-9999 (7) and C(54) at 30.35 60.11 73.259 in (null):F-9999 (7) neighbor-bump: 2.08987 Ang CB(41) at 34.588 60.102 69.488 in (null):A-9999 (6) and CE1(50) at 33.4066 58.5846 68.6698 in (null):F-9999 (7) neighbor-bump: 2.64545 Ang O(42) at 32.456 59.158 71.071 in (null):A-9999 (6) and CE1(50) at 33.4066 58.5846 68.6698 in (null):F-9999 (7) neighbor-bump: 3.12839 Ang C(43) at 32.814 60.335 71.194 in (null):A-9999 (6) and CE1(50) at 33.4066 58.5846 68.6698 in (null):F-9999 (7) neighbor-bump: 2.56172 Ang O(42) at 32.456 59.158 71.071 in (null):A-9999 (6) and CD2(49) at 30.7652 58.1635 69.4234 in (null):F-9999 (7) neighbor-bump: 2.05096 Ang CB(41) at 34.588 60.102 69.488 in (null):A-9999 (6) and CD1(48) at 32.9913 58.9044 69.9598 in (null):F-9999 (7) neighbor-bump: 2.3941 Ang CA(40) at 34.221 60.772 70.815 in (null):A-9999 (6) and CD1(48) at 32.9913 58.9044 69.9598 in (null):F-9999 (7) neighbor-bump: 1.25923 Ang O(42) at 32.456 59.158 71.071 in (null):A-9999 (6) and CD1(48) at 32.9913 58.9044 69.9598 in (null):F-9999 (7) neighbor-bump: 1.89774 Ang C(43) at 32.814 60.335 71.194 in (null):A-9999 (6) and CD1(48) at 32.9913 58.9044 69.9598 in (null):F-9999 (7) neighbor-bump: 1.16157 Ang O(42) at 32.456 59.158 71.071 in (null):A-9999 (6) and CG(47) at 31.6659 58.7143 70.3443 in (null):F-9999 (7) neighbor-bump: 2.16026 Ang C(43) at 32.814 60.335 71.194 in (null):A-9999 (6) and CG(47) at 31.6659 58.7143 70.3443 in (null):F-9999 (7) neighbor-bump: 1.41194 Ang O(42) at 32.456 59.158 71.071 in (null):A-9999 (6) and CB(46) at 31.2206 59.0437 71.745 in (null):F-9999 (7) neighbor-bump: 2.1237 Ang C(43) at 32.814 60.335 71.194 in (null):A-9999 (6) and CB(46) at 31.2206 59.0437 71.745 in (null):F-9999 (7) Number of specific fragments= 1 total=3383 # 1nftA.436.276 read from T0147_twice.t2k.frag # found chain 1nftA in template set T0147_twice 436 :SDSHTAFTM 1nftA 280 :SDFHLFGPP Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.15286 Ang CB(46) at 31.0785 59.3209 71.8088 in (null):F-9999 (7) and C(61) at 27.937 59.427 71.563 in (null):T-9999 (8) neighbor-bump: 3.01296 Ang CD2(49) at 30.3887 58.7026 69.4607 in (null):F-9999 (7) and CA(56) at 29.074 58.605 72.17 in (null):T-9999 (8) neighbor-bump: 2.98812 Ang CG(47) at 31.3929 59.102 70.3522 in (null):F-9999 (7) and CA(56) at 29.074 58.605 72.17 in (null):T-9999 (8) neighbor-bump: 2.15889 Ang CB(46) at 31.0785 59.3209 71.8088 in (null):F-9999 (7) and CA(56) at 29.074 58.605 72.17 in (null):T-9999 (8) neighbor-bump: 2.11666 Ang CB(46) at 31.0785 59.3209 71.8088 in (null):F-9999 (7) and N(55) at 29.686 59.152 73.394 in (null):T-9999 (8) self-bump: 2.04578 Ang CB(46) at 31.0785 59.3209 71.8088 in (null):F-9999 (7) and C(54) at 30.401 60.287 73.48 in (null):F-9999 (7) neighbor-bump: 2.24876 Ang CB(41) at 34.519 60.128 69.762 in (null):A-9999 (6) and CE1(50) at 32.9897 59.0249 68.5368 in (null):F-9999 (7) neighbor-bump: 2.02985 Ang CB(41) at 34.519 60.128 69.762 in (null):A-9999 (6) and CD1(48) at 32.696 59.2432 69.8803 in (null):F-9999 (7) neighbor-bump: 2.50633 Ang CA(40) at 34.196 60.854 71.079 in (null):A-9999 (6) and CD1(48) at 32.696 59.2432 69.8803 in (null):F-9999 (7) neighbor-bump: 1.63377 Ang O(42) at 32.4 59.342 71.484 in (null):A-9999 (6) and CD1(48) at 32.696 59.2432 69.8803 in (null):F-9999 (7) neighbor-bump: 2.03813 Ang C(43) at 32.784 60.503 71.48 in (null):A-9999 (6) and CD1(48) at 32.696 59.2432 69.8803 in (null):F-9999 (7) neighbor-bump: 1.53391 Ang O(42) at 32.4 59.342 71.484 in (null):A-9999 (6) and CG(47) at 31.3929 59.102 70.3522 in (null):F-9999 (7) neighbor-bump: 2.27376 Ang C(43) at 32.784 60.503 71.48 in (null):A-9999 (6) and CG(47) at 31.3929 59.102 70.3522 in (null):F-9999 (7) neighbor-bump: 1.36103 Ang O(42) at 32.4 59.342 71.484 in (null):A-9999 (6) and CB(46) at 31.0785 59.3209 71.8088 in (null):F-9999 (7) neighbor-bump: 2.10105 Ang C(43) at 32.784 60.503 71.48 in (null):A-9999 (6) and CB(46) at 31.0785 59.3209 71.8088 in (null):F-9999 (7) Number of specific fragments= 1 total=3384 # 1iejA.436.279 read from T0147_twice.t2k.frag # adding 1iejA to template set 1iejA:Skipped atom 110, because occupancy 0.51 <= existing 0.580001 Skipped atom 112, because occupancy 0.51 <= existing 0.580001 Skipped atom 114, because occupancy 0.51 <= existing 0.580001 Skipped atom 116, because occupancy 0.51 <= existing 0.580001 Skipped atom 118, because occupancy 0.51 <= existing 0.580001 Skipped atom 1872, because occupancy 0.51 <= existing 0.580001 Skipped atom 1874, because occupancy 0.51 <= existing 0.580001 Skipped atom 1876, because occupancy 0.51 <= existing 0.580001 Skipped atom 1977, because occupancy 0.51 <= existing 0.580001 Skipped atom 1979, because occupancy 0.51 <= existing 0.580001 Skipped atom 1981, because occupancy 0.51 <= existing 0.580001 Skipped atom 1983, because occupancy 0.51 <= existing 0.580001 Skipped atom 1985, because occupancy 0.51 <= existing 0.580001 Skipped atom 2339, because occupancy 0.51 <= existing 0.580001 Skipped atom 2341, because occupancy 0.51 <= existing 0.580001 Skipped atom 2343, because occupancy 0.51 <= existing 0.580001 Skipped atom 2345, because occupancy 0.51 <= existing 0.580001 Skipped atom 2399, because occupancy 0.51 <= existing 0.580001 Skipped atom 2401, because occupancy 0.51 <= existing 0.580001 Skipped atom 2403, because occupancy 0.51 <= existing 0.580001 Skipped atom 2405, because occupancy 0.51 <= existing 0.580001 # found chain 1iejA in template set T0147_twice 436 :SDSHTAFTM 1iejA 280 :SDFHLFGPP Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.18977 Ang CB(46) at 29.9451 17.3241 64.2564 in (null):F-9999 (7) and C(61) at 30.241 18.625 61.359 in (null):T-9999 (8) neighbor-bump: 2.99342 Ang CG(47) at 29.1173 18.3673 64.96 in (null):F-9999 (7) and CA(56) at 30.998 18.306 62.632 in (null):T-9999 (8) neighbor-bump: 3.00797 Ang CD2(49) at 29.0024 19.6592 64.4304 in (null):F-9999 (7) and CA(56) at 30.998 18.306 62.632 in (null):T-9999 (8) neighbor-bump: 2.17055 Ang CB(46) at 29.9451 17.3241 64.2564 in (null):F-9999 (7) and CA(56) at 30.998 18.306 62.632 in (null):T-9999 (8) neighbor-bump: 2.0856 Ang CB(46) at 29.9451 17.3241 64.2564 in (null):F-9999 (7) and N(55) at 31.29 16.885 62.724 in (null):T-9999 (8) self-bump: 2.03945 Ang CB(46) at 29.9451 17.3241 64.2564 in (null):F-9999 (7) and C(54) at 30.397 15.88 62.889 in (null):F-9999 (7) neighbor-bump: 2.26864 Ang CB(41) at 27.244 16.898 67.356 in (null):A-9999 (6) and CE1(50) at 27.7445 19.0478 66.8318 in (null):F-9999 (7) neighbor-bump: 2.53085 Ang CA(40) at 27.707 15.701 66.534 in (null):A-9999 (6) and CD1(48) at 28.4964 18.0784 66.1731 in (null):F-9999 (7) neighbor-bump: 2.08829 Ang CB(41) at 27.244 16.898 67.356 in (null):A-9999 (6) and CD1(48) at 28.4964 18.0784 66.1731 in (null):F-9999 (7) neighbor-bump: 2.0053 Ang C(43) at 28.528 16.233 65.389 in (null):A-9999 (6) and CD1(48) at 28.4964 18.0784 66.1731 in (null):F-9999 (7) neighbor-bump: 1.45543 Ang O(42) at 29.389 17.083 65.598 in (null):A-9999 (6) and CD1(48) at 28.4964 18.0784 66.1731 in (null):F-9999 (7) neighbor-bump: 2.2553 Ang C(43) at 28.528 16.233 65.389 in (null):A-9999 (6) and CG(47) at 29.1173 18.3673 64.96 in (null):F-9999 (7) neighbor-bump: 1.45954 Ang O(42) at 29.389 17.083 65.598 in (null):A-9999 (6) and CG(47) at 29.1173 18.3673 64.96 in (null):F-9999 (7) neighbor-bump: 2.11697 Ang C(43) at 28.528 16.233 65.389 in (null):A-9999 (6) and CB(46) at 29.9451 17.3241 64.2564 in (null):F-9999 (7) neighbor-bump: 1.47219 Ang O(42) at 29.389 17.083 65.598 in (null):A-9999 (6) and CB(46) at 29.9451 17.3241 64.2564 in (null):F-9999 (7) Number of specific fragments= 1 total=3385 # 1bw0A.436.379 read from T0147_twice.t2k.frag # found chain 1bw0A in template set T0147_twice 436 :SDSHTAFTM 1bw0A 380 :TIFHAPGFT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00593 Ang CG2(35) at 23.6636 10.8566 -25.7218 in (null):T-9999 (5) and OG1(59) at 21.3925 11.8633 -27.4143 in (null):T-9999 (8) Number of specific fragments= 1 total=3386 # 1nnt.436.275 read from T0147_twice.t2k.frag # adding 1nnt to template set 1nnt:# found chain 1nnt in template set T0147_twice 436 :SDSHTAFTM 1nnt 280 :SDFHLFGPP Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.66514 Ang CG2(58) at 33.4685 21.3865 61.6339 in (null):T-9999 (8) and N(62) at 30.963 20.729 61.007 in (null):M-9999 (9) neighbor-bump: 3.2978 Ang CB(46) at 31.4963 18.388 64.1565 in (null):F-9999 (7) and C(61) at 31.557 19.561 61.075 in (null):T-9999 (8) neighbor-bump: 2.57613 Ang CA(45) at 30.261 17.574 62.844 in (null):F-9999 (7) and CA(56) at 32.185 19.225 62.387 in (null):T-9999 (8) neighbor-bump: 2.07513 Ang CB(46) at 31.4963 18.388 64.1565 in (null):F-9999 (7) and CA(56) at 32.185 19.225 62.387 in (null):T-9999 (8) neighbor-bump: 2.87707 Ang CG(47) at 30.8905 19.5235 64.939 in (null):F-9999 (7) and CA(56) at 32.185 19.225 62.387 in (null):T-9999 (8) neighbor-bump: 2.89921 Ang CD2(49) at 31.0244 20.8448 64.4929 in (null):F-9999 (7) and CA(56) at 32.185 19.225 62.387 in (null):T-9999 (8) neighbor-bump: 2.11783 Ang CB(46) at 31.4963 18.388 64.1565 in (null):F-9999 (7) and N(55) at 32.572 17.848 62.414 in (null):T-9999 (8) self-bump: 2.06761 Ang CB(46) at 31.4963 18.388 64.1565 in (null):F-9999 (7) and C(54) at 31.625 16.964 62.663 in (null):F-9999 (7) neighbor-bump: 2.57286 Ang CB(41) at 28.427 18.094 66.997 in (null):A-9999 (6) and CE1(50) at 29.6875 20.3336 66.8749 in (null):F-9999 (7) neighbor-bump: 2.66087 Ang CA(40) at 29.074 16.892 66.298 in (null):A-9999 (6) and CD1(48) at 30.2334 19.282 66.1433 in (null):F-9999 (7) neighbor-bump: 2.32444 Ang CB(41) at 28.427 18.094 66.997 in (null):A-9999 (6) and CD1(48) at 30.2334 19.282 66.1433 in (null):F-9999 (7) neighbor-bump: 2.08023 Ang C(43) at 29.92 17.448 65.213 in (null):A-9999 (6) and CD1(48) at 30.2334 19.282 66.1433 in (null):F-9999 (7) neighbor-bump: 1.36709 Ang O(42) at 30.8 18.249 65.45 in (null):A-9999 (6) and CD1(48) at 30.2334 19.282 66.1433 in (null):F-9999 (7) neighbor-bump: 2.30756 Ang C(43) at 29.92 17.448 65.213 in (null):A-9999 (6) and CG(47) at 30.8905 19.5235 64.939 in (null):F-9999 (7) neighbor-bump: 1.37613 Ang O(42) at 30.8 18.249 65.45 in (null):A-9999 (6) and CG(47) at 30.8905 19.5235 64.939 in (null):F-9999 (7) neighbor-bump: 2.11762 Ang C(43) at 29.92 17.448 65.213 in (null):A-9999 (6) and CB(46) at 31.4963 18.388 64.1565 in (null):F-9999 (7) neighbor-bump: 1.47552 Ang O(42) at 30.8 18.249 65.45 in (null):A-9999 (6) and CB(46) at 31.4963 18.388 64.1565 in (null):F-9999 (7) Number of specific fragments= 1 total=3387 # 1tfaA.437.277 read from T0147_twice.t2k.frag # found chain 1tfaA in template set T0147_twice 437 :DSHTAFTMG 1tfaA 281 :DFHLFGPPG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.25084 Ang CB(40) at 31.2206 59.0437 71.745 in (null):F-9999 (6) and C(55) at 27.99 59.145 71.397 in (null):T-9999 (7) neighbor-bump: 3.10556 Ang CD2(43) at 30.7652 58.1635 69.4234 in (null):F-9999 (6) and CA(50) at 29.103 58.321 72.042 in (null):T-9999 (7) neighbor-bump: 2.25712 Ang CB(40) at 31.2206 59.0437 71.745 in (null):F-9999 (6) and CA(50) at 29.103 58.321 72.042 in (null):T-9999 (7) neighbor-bump: 3.09924 Ang CG(41) at 31.6659 58.7143 70.3443 in (null):F-9999 (6) and CA(50) at 29.103 58.321 72.042 in (null):T-9999 (7) neighbor-bump: 2.13227 Ang CB(40) at 31.2206 59.0437 71.745 in (null):F-9999 (6) and N(49) at 29.693 58.94 73.229 in (null):T-9999 (7) self-bump: 2.04629 Ang CB(40) at 31.2206 59.0437 71.745 in (null):F-9999 (6) and C(48) at 30.35 60.11 73.259 in (null):F-9999 (6) neighbor-bump: 2.08987 Ang CB(35) at 34.588 60.102 69.488 in (null):A-9999 (5) and CE1(44) at 33.4066 58.5846 68.6698 in (null):F-9999 (6) neighbor-bump: 2.64545 Ang O(36) at 32.456 59.158 71.071 in (null):A-9999 (5) and CE1(44) at 33.4066 58.5846 68.6698 in (null):F-9999 (6) neighbor-bump: 3.12839 Ang C(37) at 32.814 60.335 71.194 in (null):A-9999 (5) and CE1(44) at 33.4066 58.5846 68.6698 in (null):F-9999 (6) neighbor-bump: 2.56172 Ang O(36) at 32.456 59.158 71.071 in (null):A-9999 (5) and CD2(43) at 30.7652 58.1635 69.4234 in (null):F-9999 (6) neighbor-bump: 2.05096 Ang CB(35) at 34.588 60.102 69.488 in (null):A-9999 (5) and CD1(42) at 32.9913 58.9044 69.9598 in (null):F-9999 (6) neighbor-bump: 1.25923 Ang O(36) at 32.456 59.158 71.071 in (null):A-9999 (5) and CD1(42) at 32.9913 58.9044 69.9598 in (null):F-9999 (6) neighbor-bump: 2.3941 Ang CA(34) at 34.221 60.772 70.815 in (null):A-9999 (5) and CD1(42) at 32.9913 58.9044 69.9598 in (null):F-9999 (6) neighbor-bump: 1.89774 Ang C(37) at 32.814 60.335 71.194 in (null):A-9999 (5) and CD1(42) at 32.9913 58.9044 69.9598 in (null):F-9999 (6) neighbor-bump: 1.16157 Ang O(36) at 32.456 59.158 71.071 in (null):A-9999 (5) and CG(41) at 31.6659 58.7143 70.3443 in (null):F-9999 (6) neighbor-bump: 2.16026 Ang C(37) at 32.814 60.335 71.194 in (null):A-9999 (5) and CG(41) at 31.6659 58.7143 70.3443 in (null):F-9999 (6) neighbor-bump: 1.41194 Ang O(36) at 32.456 59.158 71.071 in (null):A-9999 (5) and CB(40) at 31.2206 59.0437 71.745 in (null):F-9999 (6) neighbor-bump: 2.1237 Ang C(37) at 32.814 60.335 71.194 in (null):A-9999 (5) and CB(40) at 31.2206 59.0437 71.745 in (null):F-9999 (6) Number of specific fragments= 1 total=3388 # 1nftA.437.277 read from T0147_twice.t2k.frag # found chain 1nftA in template set T0147_twice 437 :DSHTAFTMG 1nftA 281 :DFHLFGPPG Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.15286 Ang CB(40) at 31.0785 59.3209 71.8088 in (null):F-9999 (6) and C(55) at 27.937 59.427 71.563 in (null):T-9999 (7) neighbor-bump: 2.98812 Ang CG(41) at 31.3929 59.102 70.3522 in (null):F-9999 (6) and CA(50) at 29.074 58.605 72.17 in (null):T-9999 (7) neighbor-bump: 3.01296 Ang CD2(43) at 30.3887 58.7026 69.4607 in (null):F-9999 (6) and CA(50) at 29.074 58.605 72.17 in (null):T-9999 (7) neighbor-bump: 2.15889 Ang CB(40) at 31.0785 59.3209 71.8088 in (null):F-9999 (6) and CA(50) at 29.074 58.605 72.17 in (null):T-9999 (7) neighbor-bump: 2.11666 Ang CB(40) at 31.0785 59.3209 71.8088 in (null):F-9999 (6) and N(49) at 29.686 59.152 73.394 in (null):T-9999 (7) self-bump: 2.04578 Ang CB(40) at 31.0785 59.3209 71.8088 in (null):F-9999 (6) and C(48) at 30.401 60.287 73.48 in (null):F-9999 (6) neighbor-bump: 2.24876 Ang CB(35) at 34.519 60.128 69.762 in (null):A-9999 (5) and CE1(44) at 32.9897 59.0249 68.5368 in (null):F-9999 (6) neighbor-bump: 2.02985 Ang CB(35) at 34.519 60.128 69.762 in (null):A-9999 (5) and CD1(42) at 32.696 59.2432 69.8803 in (null):F-9999 (6) neighbor-bump: 1.63377 Ang O(36) at 32.4 59.342 71.484 in (null):A-9999 (5) and CD1(42) at 32.696 59.2432 69.8803 in (null):F-9999 (6) neighbor-bump: 2.50633 Ang CA(34) at 34.196 60.854 71.079 in (null):A-9999 (5) and CD1(42) at 32.696 59.2432 69.8803 in (null):F-9999 (6) neighbor-bump: 2.03813 Ang C(37) at 32.784 60.503 71.48 in (null):A-9999 (5) and CD1(42) at 32.696 59.2432 69.8803 in (null):F-9999 (6) neighbor-bump: 1.53391 Ang O(36) at 32.4 59.342 71.484 in (null):A-9999 (5) and CG(41) at 31.3929 59.102 70.3522 in (null):F-9999 (6) neighbor-bump: 2.27376 Ang C(37) at 32.784 60.503 71.48 in (null):A-9999 (5) and CG(41) at 31.3929 59.102 70.3522 in (null):F-9999 (6) neighbor-bump: 1.36103 Ang O(36) at 32.4 59.342 71.484 in (null):A-9999 (5) and CB(40) at 31.0785 59.3209 71.8088 in (null):F-9999 (6) neighbor-bump: 2.10105 Ang C(37) at 32.784 60.503 71.48 in (null):A-9999 (5) and CB(40) at 31.0785 59.3209 71.8088 in (null):F-9999 (6) Number of specific fragments= 1 total=3389 # 1g4wR.437.312 read from T0147_twice.t2k.frag # adding 1g4wR to template set 1g4wR:# found chain 1g4wR in template set T0147_twice 437 :DSHTAFTMG 1g4wR 473 :DKHLPMIHC Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.55215 Ang OG(13) at 6.73164 43.6531 22.4188 in (null):S-9999 (2) and CD2(20) at 5.281 41.559 22.573 in (null):H-9999 (3) Number of specific fragments= 1 total=3390 # 1iejA.437.280 read from T0147_twice.t2k.frag # found chain 1iejA in template set T0147_twice 437 :DSHTAFTMG 1iejA 281 :DFHLFGPPG Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.18977 Ang CB(40) at 29.9451 17.3241 64.2564 in (null):F-9999 (6) and C(55) at 30.241 18.625 61.359 in (null):T-9999 (7) neighbor-bump: 3.00797 Ang CD2(43) at 29.0024 19.6592 64.4304 in (null):F-9999 (6) and CA(50) at 30.998 18.306 62.632 in (null):T-9999 (7) neighbor-bump: 2.17055 Ang CB(40) at 29.9451 17.3241 64.2564 in (null):F-9999 (6) and CA(50) at 30.998 18.306 62.632 in (null):T-9999 (7) neighbor-bump: 2.99342 Ang CG(41) at 29.1173 18.3673 64.96 in (null):F-9999 (6) and CA(50) at 30.998 18.306 62.632 in (null):T-9999 (7) neighbor-bump: 2.0856 Ang CB(40) at 29.9451 17.3241 64.2564 in (null):F-9999 (6) and N(49) at 31.29 16.885 62.724 in (null):T-9999 (7) self-bump: 2.03945 Ang CB(40) at 29.9451 17.3241 64.2564 in (null):F-9999 (6) and C(48) at 30.397 15.88 62.889 in (null):F-9999 (6) neighbor-bump: 2.26864 Ang CB(35) at 27.244 16.898 67.356 in (null):A-9999 (5) and CE1(44) at 27.7445 19.0478 66.8318 in (null):F-9999 (6) neighbor-bump: 2.0053 Ang C(37) at 28.528 16.233 65.389 in (null):A-9999 (5) and CD1(42) at 28.4964 18.0784 66.1731 in (null):F-9999 (6) neighbor-bump: 2.53085 Ang CA(34) at 27.707 15.701 66.534 in (null):A-9999 (5) and CD1(42) at 28.4964 18.0784 66.1731 in (null):F-9999 (6) neighbor-bump: 2.08829 Ang CB(35) at 27.244 16.898 67.356 in (null):A-9999 (5) and CD1(42) at 28.4964 18.0784 66.1731 in (null):F-9999 (6) neighbor-bump: 1.45543 Ang O(36) at 29.389 17.083 65.598 in (null):A-9999 (5) and CD1(42) at 28.4964 18.0784 66.1731 in (null):F-9999 (6) neighbor-bump: 2.2553 Ang C(37) at 28.528 16.233 65.389 in (null):A-9999 (5) and CG(41) at 29.1173 18.3673 64.96 in (null):F-9999 (6) neighbor-bump: 1.45954 Ang O(36) at 29.389 17.083 65.598 in (null):A-9999 (5) and CG(41) at 29.1173 18.3673 64.96 in (null):F-9999 (6) neighbor-bump: 2.11697 Ang C(37) at 28.528 16.233 65.389 in (null):A-9999 (5) and CB(40) at 29.9451 17.3241 64.2564 in (null):F-9999 (6) neighbor-bump: 1.47219 Ang O(36) at 29.389 17.083 65.598 in (null):A-9999 (5) and CB(40) at 29.9451 17.3241 64.2564 in (null):F-9999 (6) Number of specific fragments= 1 total=3391 # 1jmkC.437.178 read from T0147_twice.t2k.frag # adding 1jmkC to template set 1jmkC:# found chain 1jmkC in template set T0147_twice 437 :DSHTAFTMG 1jmkC 180 :DFDIPEWLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3392 # 2bnh.437.437 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 437 :DSHTAFTMG 2bnh 437 :EVEDRLQAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3393 # 2bnh.438.438 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 438 :SHTAFTMGE 2bnh 438 :VEDRLQALE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3394 # 1tfaA.438.278 read from T0147_twice.t2k.frag # found chain 1tfaA in template set T0147_twice 438 :SHTAFTMGE 1tfaA 282 :FHLFGPPGK Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26256 Ang O(46) at 27.484 60.064 72.052 in (null):T-9999 (6) and OE2(66) at 27.3683 61.7887 73.5119 in (null):E-9999 (9) neighbor-bump: 3.25084 Ang CB(32) at 31.2206 59.0437 71.745 in (null):F-9999 (5) and C(47) at 27.99 59.145 71.397 in (null):T-9999 (6) neighbor-bump: 3.10556 Ang CD2(35) at 30.7652 58.1635 69.4234 in (null):F-9999 (5) and CA(42) at 29.103 58.321 72.042 in (null):T-9999 (6) neighbor-bump: 2.25712 Ang CB(32) at 31.2206 59.0437 71.745 in (null):F-9999 (5) and CA(42) at 29.103 58.321 72.042 in (null):T-9999 (6) neighbor-bump: 3.09924 Ang CG(33) at 31.6659 58.7143 70.3443 in (null):F-9999 (5) and CA(42) at 29.103 58.321 72.042 in (null):T-9999 (6) neighbor-bump: 2.13227 Ang CB(32) at 31.2206 59.0437 71.745 in (null):F-9999 (5) and N(41) at 29.693 58.94 73.229 in (null):T-9999 (6) self-bump: 2.04629 Ang CB(32) at 31.2206 59.0437 71.745 in (null):F-9999 (5) and C(40) at 30.35 60.11 73.259 in (null):F-9999 (5) neighbor-bump: 2.08987 Ang CB(27) at 34.588 60.102 69.488 in (null):A-9999 (4) and CE1(36) at 33.4066 58.5846 68.6698 in (null):F-9999 (5) neighbor-bump: 2.64545 Ang O(28) at 32.456 59.158 71.071 in (null):A-9999 (4) and CE1(36) at 33.4066 58.5846 68.6698 in (null):F-9999 (5) neighbor-bump: 3.12839 Ang C(29) at 32.814 60.335 71.194 in (null):A-9999 (4) and CE1(36) at 33.4066 58.5846 68.6698 in (null):F-9999 (5) neighbor-bump: 2.56172 Ang O(28) at 32.456 59.158 71.071 in (null):A-9999 (4) and CD2(35) at 30.7652 58.1635 69.4234 in (null):F-9999 (5) neighbor-bump: 2.3941 Ang CA(26) at 34.221 60.772 70.815 in (null):A-9999 (4) and CD1(34) at 32.9913 58.9044 69.9598 in (null):F-9999 (5) neighbor-bump: 2.05096 Ang CB(27) at 34.588 60.102 69.488 in (null):A-9999 (4) and CD1(34) at 32.9913 58.9044 69.9598 in (null):F-9999 (5) neighbor-bump: 1.25923 Ang O(28) at 32.456 59.158 71.071 in (null):A-9999 (4) and CD1(34) at 32.9913 58.9044 69.9598 in (null):F-9999 (5) neighbor-bump: 1.89774 Ang C(29) at 32.814 60.335 71.194 in (null):A-9999 (4) and CD1(34) at 32.9913 58.9044 69.9598 in (null):F-9999 (5) neighbor-bump: 1.16157 Ang O(28) at 32.456 59.158 71.071 in (null):A-9999 (4) and CG(33) at 31.6659 58.7143 70.3443 in (null):F-9999 (5) neighbor-bump: 2.16026 Ang C(29) at 32.814 60.335 71.194 in (null):A-9999 (4) and CG(33) at 31.6659 58.7143 70.3443 in (null):F-9999 (5) neighbor-bump: 1.41194 Ang O(28) at 32.456 59.158 71.071 in (null):A-9999 (4) and CB(32) at 31.2206 59.0437 71.745 in (null):F-9999 (5) neighbor-bump: 2.1237 Ang C(29) at 32.814 60.335 71.194 in (null):A-9999 (4) and CB(32) at 31.2206 59.0437 71.745 in (null):F-9999 (5) Number of specific fragments= 1 total=3395 # 1nftA.438.278 read from T0147_twice.t2k.frag # found chain 1nftA in template set T0147_twice 438 :SHTAFTMGE 1nftA 282 :FHLFGPPGK Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42686 Ang O(46) at 27.506 60.398 72.168 in (null):T-9999 (6) and OE2(66) at 27.2318 61.8393 74.1012 in (null):E-9999 (9) neighbor-bump: 3.15286 Ang CB(32) at 31.0785 59.3209 71.8088 in (null):F-9999 (5) and C(47) at 27.937 59.427 71.563 in (null):T-9999 (6) neighbor-bump: 3.01296 Ang CD2(35) at 30.3887 58.7026 69.4607 in (null):F-9999 (5) and CA(42) at 29.074 58.605 72.17 in (null):T-9999 (6) neighbor-bump: 2.15889 Ang CB(32) at 31.0785 59.3209 71.8088 in (null):F-9999 (5) and CA(42) at 29.074 58.605 72.17 in (null):T-9999 (6) neighbor-bump: 2.98812 Ang CG(33) at 31.3929 59.102 70.3522 in (null):F-9999 (5) and CA(42) at 29.074 58.605 72.17 in (null):T-9999 (6) neighbor-bump: 2.11666 Ang CB(32) at 31.0785 59.3209 71.8088 in (null):F-9999 (5) and N(41) at 29.686 59.152 73.394 in (null):T-9999 (6) self-bump: 2.04578 Ang CB(32) at 31.0785 59.3209 71.8088 in (null):F-9999 (5) and C(40) at 30.401 60.287 73.48 in (null):F-9999 (5) neighbor-bump: 2.24876 Ang CB(27) at 34.519 60.128 69.762 in (null):A-9999 (4) and CE1(36) at 32.9897 59.0249 68.5368 in (null):F-9999 (5) neighbor-bump: 2.50633 Ang CA(26) at 34.196 60.854 71.079 in (null):A-9999 (4) and CD1(34) at 32.696 59.2432 69.8803 in (null):F-9999 (5) neighbor-bump: 2.02985 Ang CB(27) at 34.519 60.128 69.762 in (null):A-9999 (4) and CD1(34) at 32.696 59.2432 69.8803 in (null):F-9999 (5) neighbor-bump: 1.63377 Ang O(28) at 32.4 59.342 71.484 in (null):A-9999 (4) and CD1(34) at 32.696 59.2432 69.8803 in (null):F-9999 (5) neighbor-bump: 2.03813 Ang C(29) at 32.784 60.503 71.48 in (null):A-9999 (4) and CD1(34) at 32.696 59.2432 69.8803 in (null):F-9999 (5) neighbor-bump: 1.53391 Ang O(28) at 32.4 59.342 71.484 in (null):A-9999 (4) and CG(33) at 31.3929 59.102 70.3522 in (null):F-9999 (5) neighbor-bump: 2.27376 Ang C(29) at 32.784 60.503 71.48 in (null):A-9999 (4) and CG(33) at 31.3929 59.102 70.3522 in (null):F-9999 (5) neighbor-bump: 1.36103 Ang O(28) at 32.4 59.342 71.484 in (null):A-9999 (4) and CB(32) at 31.0785 59.3209 71.8088 in (null):F-9999 (5) neighbor-bump: 2.10105 Ang C(29) at 32.784 60.503 71.48 in (null):A-9999 (4) and CB(32) at 31.0785 59.3209 71.8088 in (null):F-9999 (5) Number of specific fragments= 1 total=3396 # 1jmkC.438.179 read from T0147_twice.t2k.frag # found chain 1jmkC in template set T0147_twice 438 :SHTAFTMGE 1jmkC 181 :FDIPEWLAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3397 # 1bcpF.438.76 read from T0147_twice.t2k.frag # adding 1bcpF to template set 1bcpF:# found chain 1bcpF in template set T0147_twice 438 :SHTAFTMGE 1bcpF 77 :SPYPGTPGD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9162 Ang OG(5) at -37.257 10.911 -12.236 in (null):S-9999 (1) and CG2(44) at -36.57 12.904 -10.221 in (null):T-9999 (6) self-bump: 1.38528 Ang CA(9) at -39.655 7.679 -13.415 in (null):H-9999 (2) and CB(10) at -39.7932 6.50017 -12.7007 in (null):H-9999 (2) Number of specific fragments= 1 total=3398 # 1k9jA.438.72 read from T0147_twice.t2k.frag # found chain 1k9jA in training set T0147_twice 438 :SHTAFTMGE 1k9jA 333 :LNQEGTWQW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.51101 Ang C(29) at 11.239 25.415 45.863 in (null):A-9999 (4) and CB(32) at 12.0275 23.8587 47.6689 in (null):F-9999 (5) neighbor-bump: 2.07737 Ang O(28) at 11.571 25.771 46.998 in (null):A-9999 (4) and CB(32) at 12.0275 23.8587 47.6689 in (null):F-9999 (5) Number of specific fragments= 1 total=3399 # 2bnh.439.439 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 439 :HTAFTMGEF 2bnh 439 :EDRLQALEG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.4007 Ang O(40) at 1.372 34.977 -10.769 in (null):T-9999 (5) and CE1(69) at 2.93114 33.2406 -11.3322 in (null):F-9999 (9) other bump:2.12078 Ang O(40) at 1.372 34.977 -10.769 in (null):T-9999 (5) and CD1(67) at 2.93102 34.4176 -12.0935 in (null):F-9999 (9) Number of specific fragments= 1 total=3400 # 2bnh.439.441 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 439 :HTAFTMGEF 2bnh 441 :RLQALEGSK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.44014 Ang CE2(31) at -1.42242 40.1008 -14.8675 in (null):F-9999 (4) and OE2(60) at -0.593573 41.1868 -15.3232 in (null):E-9999 (8) other bump:1.69518 Ang CZ(32) at -0.858985 39.6901 -16.0735 in (null):F-9999 (4) and OE2(60) at -0.593573 41.1868 -15.3232 in (null):E-9999 (8) other bump:2.70946 Ang CE2(31) at -1.42242 40.1008 -14.8675 in (null):F-9999 (4) and OE1(59) at -0.123361 41.8489 -13.2557 in (null):E-9999 (8) other bump:2.86627 Ang CD2(29) at -1.73805 39.1492 -13.8888 in (null):F-9999 (4) and CD(58) at 0.174668 41.2393 -14.3231 in (null):E-9999 (8) other bump:2.0355 Ang CE2(31) at -1.42242 40.1008 -14.8675 in (null):F-9999 (4) and CD(58) at 0.174668 41.2393 -14.3231 in (null):E-9999 (8) other bump:2.5559 Ang CZ(32) at -0.858985 39.6901 -16.0735 in (null):F-9999 (4) and CD(58) at 0.174668 41.2393 -14.3231 in (null):E-9999 (8) Number of specific fragments= 1 total=3401 # 1ea5A.439.439 read from T0147_twice.t2k.frag # found chain 1ea5A in training set T0147_twice 439 :HTAFTMGEF 1ea5A 440 :HGYEIEFVF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.72592 Ang C(11) at 9.722 69.423 63.593 in (null):H-9999 (1) and OG1(16) at 7.19946 68.8245 62.7508 in (null):T-9999 (2) neighbor-bump: 2.10955 Ang O(10) at 8.944 69.944 64.396 in (null):H-9999 (1) and CB(14) at 7.50485 70.2402 62.8823 in (null):T-9999 (2) neighbor-bump: 2.46753 Ang C(11) at 9.722 69.423 63.593 in (null):H-9999 (1) and CB(14) at 7.50485 70.2402 62.8823 in (null):T-9999 (2) Number of specific fragments= 1 total=3402 # 1bcpF.439.77 read from T0147_twice.t2k.frag # found chain 1bcpF in template set T0147_twice 439 :HTAFTMGEF 1bcpF 78 :PYPGTPGDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3403 # 1qidA.439.439 read from T0147_twice.t2k.frag # adding 1qidA to template set 1qidA:# found chain 1qidA in template set T0147_twice 439 :HTAFTMGEF 1qidA 440 :HGYEIEFVF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.74409 Ang C(11) at 9.818 69.49 63.486 in (null):H-9999 (1) and OG1(16) at 7.28394 68.8873 62.6227 in (null):T-9999 (2) neighbor-bump: 2.12918 Ang O(10) at 9.058 70.032 64.282 in (null):H-9999 (1) and CB(14) at 7.59101 70.3018 62.7626 in (null):T-9999 (2) neighbor-bump: 2.47827 Ang C(11) at 9.818 69.49 63.486 in (null):H-9999 (1) and CB(14) at 7.59101 70.3018 62.7626 in (null):T-9999 (2) Number of specific fragments= 1 total=3404 # 1vxrA.439.439 read from T0147_twice.t2k.frag # adding 1vxrA to template set 1vxrA:# found chain 1vxrA in template set T0147_twice 439 :HTAFTMGEF 1vxrA 440 :HGYEIEFVF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.38451 Ang ND1(7) at 8.695 67.559 62.465 in (null):H-9999 (1) and OG1(16) at 7.58681 69.6664 62.3365 in (null):T-9999 (2) neighbor-bump: 2.48555 Ang CE1(8) at 7.502 67.257 62.941 in (null):H-9999 (1) and OG1(16) at 7.58681 69.6664 62.3365 in (null):T-9999 (2) neighbor-bump: 2.74512 Ang C(11) at 10.184 70.284 62.976 in (null):H-9999 (1) and OG1(16) at 7.58681 69.6664 62.3365 in (null):T-9999 (2) neighbor-bump: 2.1013 Ang O(10) at 9.463 70.668 63.827 in (null):H-9999 (1) and CB(14) at 7.87288 71.0808 62.5168 in (null):T-9999 (2) neighbor-bump: 2.48737 Ang C(11) at 10.184 70.284 62.976 in (null):H-9999 (1) and CB(14) at 7.87288 71.0808 62.5168 in (null):T-9999 (2) Number of specific fragments= 1 total=3405 # 2bnh.440.440 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 440 :TAFTMGEFE 2bnh 440 :DRLQALEGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3406 # 2bnh.440.442 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 440 :TAFTMGEFE 2bnh 442 :LQALEGSKP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.44014 Ang CE2(21) at -1.42242 40.1008 -14.8675 in (null):F-9999 (3) and OE2(50) at -0.593573 41.1868 -15.3232 in (null):E-9999 (7) other bump:1.69518 Ang CZ(22) at -0.858985 39.6901 -16.0735 in (null):F-9999 (3) and OE2(50) at -0.593573 41.1868 -15.3232 in (null):E-9999 (7) other bump:2.70946 Ang CE2(21) at -1.42242 40.1008 -14.8675 in (null):F-9999 (3) and OE1(49) at -0.123361 41.8489 -13.2557 in (null):E-9999 (7) other bump:2.86627 Ang CD2(19) at -1.73805 39.1492 -13.8888 in (null):F-9999 (3) and CD(48) at 0.174668 41.2393 -14.3231 in (null):E-9999 (7) other bump:2.0355 Ang CE2(21) at -1.42242 40.1008 -14.8675 in (null):F-9999 (3) and CD(48) at 0.174668 41.2393 -14.3231 in (null):E-9999 (7) other bump:2.5559 Ang CZ(22) at -0.858985 39.6901 -16.0735 in (null):F-9999 (3) and CD(48) at 0.174668 41.2393 -14.3231 in (null):E-9999 (7) Number of specific fragments= 1 total=3407 # 1ea5A.440.440 read from T0147_twice.t2k.frag # found chain 1ea5A in training set T0147_twice 440 :TAFTMGEFE 1ea5A 441 :GYEIEFVFG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3408 # 1qidA.440.440 read from T0147_twice.t2k.frag # found chain 1qidA in template set T0147_twice 440 :TAFTMGEFE 1qidA 441 :GYEIEFVFG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3409 # 1vxrA.440.440 read from T0147_twice.t2k.frag # found chain 1vxrA in template set T0147_twice 440 :TAFTMGEFE 1vxrA 441 :GYEIEFVFG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3410 # 1yveI.440.444 read from T0147_twice.t2k.frag # adding 1yveI to template set 1yveI:# found chain 1yveI in template set T0147_twice 440 :TAFTMGEFE 1yveI 516 :NCSTTARLG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01962 Ang CE2(21) at 14.5252 11.4756 65.1438 in (null):F-9999 (3) and SD(36) at 16.0322 9.6277 63.2911 in (null):M-9999 (5) other bump:2.38554 Ang CE2(21) at 14.5252 11.4756 65.1438 in (null):F-9999 (3) and CG(35) at 14.2588 9.79508 63.4717 in (null):M-9999 (5) other bump:2.81218 Ang CD2(19) at 14.1426 10.6157 66.159 in (null):F-9999 (3) and CG(35) at 14.2588 9.79508 63.4717 in (null):M-9999 (5) other bump:2.99382 Ang CE2(21) at 14.5252 11.4756 65.1438 in (null):F-9999 (3) and CB(34) at 13.6702 8.71485 64.3626 in (null):M-9999 (5) other bump:2.6577 Ang CD2(19) at 14.1426 10.6157 66.159 in (null):F-9999 (3) and CB(34) at 13.6702 8.71485 64.3626 in (null):M-9999 (5) other bump:3.03399 Ang CD2(19) at 14.1426 10.6157 66.159 in (null):F-9999 (3) and CA(33) at 12.169 8.897 64.624 in (null):M-9999 (5) other bump:2.9356 Ang CE2(21) at 14.5252 11.4756 65.1438 in (null):F-9999 (3) and N(32) at 11.949 10.098 65.432 in (null):M-9999 (5) other bump:2.36819 Ang CD2(19) at 14.1426 10.6157 66.159 in (null):F-9999 (3) and N(32) at 11.949 10.098 65.432 in (null):M-9999 (5) Number of specific fragments= 1 total=3411 # 2bnh.441.441 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 441 :AFTMGEFEE 2bnh 441 :RLQALEGSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3412 # 2bnh.441.443 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 441 :AFTMGEFEE 2bnh 443 :QALEGSKPG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.44014 Ang CE2(14) at -1.42242 40.1008 -14.8675 in (null):F-9999 (2) and OE2(43) at -0.593573 41.1868 -15.3232 in (null):E-9999 (6) other bump:1.69518 Ang CZ(15) at -0.858985 39.6901 -16.0735 in (null):F-9999 (2) and OE2(43) at -0.593573 41.1868 -15.3232 in (null):E-9999 (6) other bump:2.70946 Ang CE2(14) at -1.42242 40.1008 -14.8675 in (null):F-9999 (2) and OE1(42) at -0.123361 41.8489 -13.2557 in (null):E-9999 (6) other bump:2.86627 Ang CD2(12) at -1.73805 39.1492 -13.8888 in (null):F-9999 (2) and CD(41) at 0.174668 41.2393 -14.3231 in (null):E-9999 (6) other bump:2.0355 Ang CE2(14) at -1.42242 40.1008 -14.8675 in (null):F-9999 (2) and CD(41) at 0.174668 41.2393 -14.3231 in (null):E-9999 (6) other bump:2.5559 Ang CZ(15) at -0.858985 39.6901 -16.0735 in (null):F-9999 (2) and CD(41) at 0.174668 41.2393 -14.3231 in (null):E-9999 (6) Number of specific fragments= 1 total=3413 # 1yveI.441.445 read from T0147_twice.t2k.frag # found chain 1yveI in template set T0147_twice 441 :AFTMGEFEE 1yveI 517 :CSTTARLGS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01962 Ang CE2(14) at 14.5252 11.4756 65.1438 in (null):F-9999 (2) and SD(29) at 16.0322 9.6277 63.2911 in (null):M-9999 (4) other bump:2.81218 Ang CD2(12) at 14.1426 10.6157 66.159 in (null):F-9999 (2) and CG(28) at 14.2588 9.79508 63.4717 in (null):M-9999 (4) other bump:2.38554 Ang CE2(14) at 14.5252 11.4756 65.1438 in (null):F-9999 (2) and CG(28) at 14.2588 9.79508 63.4717 in (null):M-9999 (4) other bump:2.6577 Ang CD2(12) at 14.1426 10.6157 66.159 in (null):F-9999 (2) and CB(27) at 13.6702 8.71485 64.3626 in (null):M-9999 (4) other bump:2.99382 Ang CE2(14) at 14.5252 11.4756 65.1438 in (null):F-9999 (2) and CB(27) at 13.6702 8.71485 64.3626 in (null):M-9999 (4) other bump:3.03399 Ang CD2(12) at 14.1426 10.6157 66.159 in (null):F-9999 (2) and CA(26) at 12.169 8.897 64.624 in (null):M-9999 (4) other bump:2.36819 Ang CD2(12) at 14.1426 10.6157 66.159 in (null):F-9999 (2) and N(25) at 11.949 10.098 65.432 in (null):M-9999 (4) other bump:2.9356 Ang CE2(14) at 14.5252 11.4756 65.1438 in (null):F-9999 (2) and N(25) at 11.949 10.098 65.432 in (null):M-9999 (4) Number of specific fragments= 1 total=3414 # 1ea5A.441.441 read from T0147_twice.t2k.frag # found chain 1ea5A in training set T0147_twice 441 :AFTMGEFEE 1ea5A 442 :YEIEFVFGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3415 # 1qidA.441.441 read from T0147_twice.t2k.frag # found chain 1qidA in template set T0147_twice 441 :AFTMGEFEE 1qidA 442 :YEIEFVFGL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42365 Ang CE(30) at 7.48063 80.5621 62.1599 in (null):M-9999 (4) and OE1(71) at 5.9309 80.7089 60.3022 in (null):E-9999 (9) Number of specific fragments= 1 total=3416 # 1vxrA.441.441 read from T0147_twice.t2k.frag # found chain 1vxrA in template set T0147_twice 441 :AFTMGEFEE 1vxrA 442 :YEIEFVFGL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.3516 Ang CE(30) at 7.68899 81.3165 62.006 in (null):M-9999 (4) and OE1(71) at 6.17579 81.4904 60.2144 in (null):E-9999 (9) Number of specific fragments= 1 total=3417 # 2bnh.442.442 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 442 :FTMGEFEEC 2bnh 442 :LQALEGSKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3418 # 2bnh.442.444 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 442 :FTMGEFEEC 2bnh 444 :ALEGSKPGL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.44015 Ang CE2(9) at -1.42243 40.1008 -14.8675 in (null):F-9999 (1) and OE2(38) at -0.593573 41.1868 -15.3232 in (null):E-9999 (5) other bump:1.69518 Ang CZ(10) at -0.858991 39.6901 -16.0735 in (null):F-9999 (1) and OE2(38) at -0.593573 41.1868 -15.3232 in (null):E-9999 (5) other bump:2.70946 Ang CE2(9) at -1.42243 40.1008 -14.8675 in (null):F-9999 (1) and OE1(37) at -0.123361 41.8489 -13.2557 in (null):E-9999 (5) other bump:2.86628 Ang CD2(7) at -1.73806 39.1492 -13.8888 in (null):F-9999 (1) and CD(36) at 0.174668 41.2393 -14.3231 in (null):E-9999 (5) other bump:2.03551 Ang CE2(9) at -1.42243 40.1008 -14.8675 in (null):F-9999 (1) and CD(36) at 0.174668 41.2393 -14.3231 in (null):E-9999 (5) other bump:2.5559 Ang CZ(10) at -0.858991 39.6901 -16.0735 in (null):F-9999 (1) and CD(36) at 0.174668 41.2393 -14.3231 in (null):E-9999 (5) Number of specific fragments= 1 total=3419 # 1yveI.442.446 read from T0147_twice.t2k.frag # found chain 1yveI in template set T0147_twice 442 :FTMGEFEEC 1yveI 518 :STTARLGSR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01962 Ang CE2(9) at 14.5252 11.4756 65.1438 in (null):F-9999 (1) and SD(24) at 16.0322 9.6277 63.2911 in (null):M-9999 (3) other bump:2.81217 Ang CD2(7) at 14.1426 10.6157 66.159 in (null):F-9999 (1) and CG(23) at 14.2588 9.79508 63.4717 in (null):M-9999 (3) other bump:2.38553 Ang CE2(9) at 14.5252 11.4756 65.1438 in (null):F-9999 (1) and CG(23) at 14.2588 9.79508 63.4717 in (null):M-9999 (3) other bump:2.65769 Ang CD2(7) at 14.1426 10.6157 66.159 in (null):F-9999 (1) and CB(22) at 13.6702 8.71485 64.3626 in (null):M-9999 (3) other bump:2.99382 Ang CE2(9) at 14.5252 11.4756 65.1438 in (null):F-9999 (1) and CB(22) at 13.6702 8.71485 64.3626 in (null):M-9999 (3) other bump:3.03399 Ang CD2(7) at 14.1426 10.6157 66.159 in (null):F-9999 (1) and CA(21) at 12.169 8.897 64.624 in (null):M-9999 (3) other bump:2.36819 Ang CD2(7) at 14.1426 10.6157 66.159 in (null):F-9999 (1) and N(20) at 11.949 10.098 65.432 in (null):M-9999 (3) other bump:2.9356 Ang CE2(9) at 14.5252 11.4756 65.1438 in (null):F-9999 (1) and N(20) at 11.949 10.098 65.432 in (null):M-9999 (3) Number of specific fragments= 1 total=3420 # 1e0cA.442.255 read from T0147_twice.t2k.frag # found chain 1e0cA in training set T0147_twice 442 :FTMGEFEEC 1e0cA 256 :GSWGEWGNH Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.16292 Ang CG(35) at 16.39 18.246 10.405 in (null):E-9999 (5) and SG(73) at 17.4019 18.1989 7.40868 in (null):C-9999 (9) other bump:3.12884 Ang SD(24) at 22.6065 24.0688 12.9401 in (null):M-9999 (3) and OE1(57) at 25.0079 22.0891 13.2622 in (null):E-9999 (7) other bump:2.62526 Ang O(26) at 21.644 20.685 12.547 in (null):M-9999 (3) and CB(54) at 23.2978 22.1201 11.0988 in (null):E-9999 (7) other bump:2.7687 Ang SD(24) at 22.6065 24.0688 12.9401 in (null):M-9999 (3) and CB(54) at 23.2978 22.1201 11.0988 in (null):E-9999 (7) other bump:2.35106 Ang CB(4) at 15.2104 17.9264 13.7009 in (null):F-9999 (1) and OE1(37) at 14.438 18.78 11.651 in (null):E-9999 (5) other bump:2.47691 Ang CD2(7) at 12.9276 17.2442 12.8737 in (null):F-9999 (1) and OE1(37) at 14.438 18.78 11.651 in (null):E-9999 (5) other bump:2.98245 Ang CB(4) at 15.2104 17.9264 13.7009 in (null):F-9999 (1) and CD(36) at 14.926 18.079 10.736 in (null):E-9999 (5) other bump:2.80502 Ang CG(5) at 14.2116 16.8827 13.1705 in (null):F-9999 (1) and CD(36) at 14.926 18.079 10.736 in (null):E-9999 (5) other bump:2.92243 Ang CB(4) at 15.2104 17.9264 13.7009 in (null):F-9999 (1) and CB(34) at 17.278 18.17 11.65 in (null):E-9999 (5) neighbor-bump: 2.0746 Ang CG2(16) at 18.7582 22.8362 16.7121 in (null):T-9999 (2) and N(20) at 19.715 21.546 15.399 in (null):M-9999 (3) self-bump: 2.21333 Ang CB(15) at 17.848 21.6733 17.0561 in (null):T-9999 (2) and C(19) at 18.522 21.087 15.031 in (null):T-9999 (2) self-bump: 1.27509 Ang CA(14) at 17.471 20.911 16.106 in (null):T-9999 (2) and CB(15) at 17.848 21.6733 17.0561 in (null):T-9999 (2) self-bump: 1.37854 Ang CA(3) at 15.38 17.923 15.069 in (null):F-9999 (1) and CB(4) at 15.2104 17.9264 13.7009 in (null):F-9999 (1) Number of specific fragments= 1 total=3421 # 1e79D.442.444 read from T0147_twice.t2k.frag # found chain 1e79D in template set T0147_twice 442 :FTMGEFEEC 1e79D 441 :FQQILAGEY Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77975 Ang CG2(16) at 74.451 53.6958 43.2014 in (null):T-9999 (2) and CZ(49) at 73.2112 56.109 42.596 in (null):F-9999 (6) other bump:2.62898 Ang O(18) at 73.336 54.634 46.134 in (null):T-9999 (2) and CE1(47) at 73.2517 55.0926 43.5467 in (null):F-9999 (6) other bump:3.08535 Ang CB(15) at 75.3853 52.9407 44.1266 in (null):T-9999 (2) and CE1(47) at 73.2517 55.0926 43.5467 in (null):F-9999 (6) other bump:1.87318 Ang CG2(16) at 74.451 53.6958 43.2014 in (null):T-9999 (2) and CE1(47) at 73.2517 55.0926 43.5467 in (null):F-9999 (6) other bump:3.03556 Ang C(19) at 73.975 53.578 46.076 in (null):T-9999 (2) and CE1(47) at 73.2517 55.0926 43.5467 in (null):F-9999 (6) other bump:2.00401 Ang O(18) at 73.336 54.634 46.134 in (null):T-9999 (2) and CD1(45) at 72.2293 54.9751 44.4985 in (null):F-9999 (6) other bump:2.7364 Ang C(19) at 73.975 53.578 46.076 in (null):T-9999 (2) and CD1(45) at 72.2293 54.9751 44.4985 in (null):F-9999 (6) Number of specific fragments= 1 total=3422 # 1ea5A.442.442 read from T0147_twice.t2k.frag # found chain 1ea5A in training set T0147_twice 442 :FTMGEFEEC 1ea5A 443 :EIEFVFGLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3423 # 2bnh.443.443 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 443 :TMGEFEECL 2bnh 443 :QALEGSKPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3424 # 1e79D.443.445 read from T0147_twice.t2k.frag # found chain 1e79D in template set T0147_twice 443 :TMGEFEECL 1e79D 442 :QQILAGEYD Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68048 Ang CB(43) at 67.4007 57.5687 49.9404 in (null):E-9999 (6) and CD1(69) at 66.3223 57.9195 52.3692 in (null):L-9999 (9) other bump:2.77974 Ang CG2(5) at 74.4511 53.6958 43.2014 in (null):T-9999 (1) and CZ(38) at 73.2112 56.109 42.596 in (null):F-9999 (5) other bump:2.62898 Ang O(7) at 73.336 54.634 46.134 in (null):T-9999 (1) and CE1(36) at 73.2517 55.0926 43.5467 in (null):F-9999 (5) other bump:3.08535 Ang CB(4) at 75.3853 52.9407 44.1266 in (null):T-9999 (1) and CE1(36) at 73.2517 55.0926 43.5467 in (null):F-9999 (5) other bump:1.87318 Ang CG2(5) at 74.4511 53.6958 43.2014 in (null):T-9999 (1) and CE1(36) at 73.2517 55.0926 43.5467 in (null):F-9999 (5) other bump:3.03556 Ang C(8) at 73.975 53.578 46.076 in (null):T-9999 (1) and CE1(36) at 73.2517 55.0926 43.5467 in (null):F-9999 (5) other bump:2.00401 Ang O(7) at 73.336 54.634 46.134 in (null):T-9999 (1) and CD1(34) at 72.2293 54.9751 44.4985 in (null):F-9999 (5) other bump:2.7364 Ang C(8) at 73.975 53.578 46.076 in (null):T-9999 (1) and CD1(34) at 72.2293 54.9751 44.4985 in (null):F-9999 (5) Number of specific fragments= 1 total=3425 # 2bnh.443.445 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 443 :TMGEFEECL 2bnh 445 :LEGSKPGLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3426 # 1h8eD.443.445 read from T0147_twice.t2k.frag # adding 1h8eD to template set 1h8eD:# found chain 1h8eD in template set T0147_twice 443 :TMGEFEECL 1h8eD 442 :QQILAGEYD Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.69305 Ang CE(14) at 69.275 49.3392 48.2049 in (null):M-9999 (2) and OE2(56) at 68.836 50.824 47.52 in (null):E-9999 (7) other bump:1.15826 Ang CE(14) at 69.275 49.3392 48.2049 in (null):M-9999 (2) and OE1(55) at 68.413 49.218 48.969 in (null):E-9999 (7) other bump:2.93685 Ang SD(13) at 70.8326 49.37 47.3114 in (null):M-9999 (2) and OE1(55) at 68.413 49.218 48.969 in (null):E-9999 (7) other bump:1.40821 Ang CE(14) at 69.275 49.3392 48.2049 in (null):M-9999 (2) and CD(54) at 68.492 50.425 48.642 in (null):E-9999 (7) other bump:2.89169 Ang SD(13) at 70.8326 49.37 47.3114 in (null):M-9999 (2) and CD(54) at 68.492 50.425 48.642 in (null):E-9999 (7) other bump:2.82796 Ang CE(14) at 69.275 49.3392 48.2049 in (null):M-9999 (2) and CG(53) at 68.146 51.475 49.675 in (null):E-9999 (7) other bump:2.61987 Ang CG2(5) at 74.4675 52.8882 45.543 in (null):T-9999 (1) and CZ(38) at 73.3126 55.1826 45.0276 in (null):F-9999 (5) other bump:2.97311 Ang CB(4) at 75.4489 52.1242 46.4104 in (null):T-9999 (1) and CE1(36) at 73.3188 54.149 45.9604 in (null):F-9999 (5) other bump:3.00698 Ang C(8) at 74.013 52.534 48.4 in (null):T-9999 (1) and CE1(36) at 73.3188 54.149 45.9604 in (null):F-9999 (5) other bump:1.75592 Ang CG2(5) at 74.4675 52.8882 45.543 in (null):T-9999 (1) and CE1(36) at 73.3188 54.149 45.9604 in (null):F-9999 (5) other bump:1.97256 Ang O(7) at 73.273 53.527 48.545 in (null):T-9999 (1) and CD1(34) at 72.2959 54.0524 46.914 in (null):F-9999 (5) other bump:2.73172 Ang C(8) at 74.013 52.534 48.4 in (null):T-9999 (1) and CD1(34) at 72.2959 54.0524 46.914 in (null):F-9999 (5) other bump:2.8197 Ang CG2(5) at 74.4675 52.8882 45.543 in (null):T-9999 (1) and CD1(34) at 72.2959 54.0524 46.914 in (null):F-9999 (5) Number of specific fragments= 1 total=3427 # 1e0cA.443.256 read from T0147_twice.t2k.frag # found chain 1e0cA in training set T0147_twice 443 :TMGEFEECL 1e0cA 257 :SWGEWGNHP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.12884 Ang SD(13) at 22.6065 24.0688 12.94 in (null):M-9999 (2) and OE1(46) at 25.0079 22.0891 13.2622 in (null):E-9999 (6) other bump:2.62526 Ang O(15) at 21.644 20.685 12.547 in (null):M-9999 (2) and CB(43) at 23.2978 22.1201 11.0988 in (null):E-9999 (6) other bump:2.7687 Ang SD(13) at 22.6065 24.0688 12.94 in (null):M-9999 (2) and CB(43) at 23.2978 22.1201 11.0988 in (null):E-9999 (6) neighbor-bump: 2.0746 Ang CG2(5) at 18.7582 22.8362 16.7121 in (null):T-9999 (1) and N(9) at 19.715 21.546 15.399 in (null):M-9999 (2) self-bump: 2.21332 Ang CB(4) at 17.8481 21.6733 17.0561 in (null):T-9999 (1) and C(8) at 18.522 21.087 15.031 in (null):T-9999 (1) self-bump: 1.27509 Ang CA(3) at 17.471 20.911 16.106 in (null):T-9999 (1) and CB(4) at 17.8481 21.6733 17.0561 in (null):T-9999 (1) Number of specific fragments= 1 total=3428 # 1yveI.443.447 read from T0147_twice.t2k.frag # found chain 1yveI in template set T0147_twice 443 :TMGEFEECL 1yveI 519 :TTARLGSRK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3429 # 2bnh.444.444 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 444 :MGEFEECLK 2bnh 444 :ALEGSKPGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3430 # 1e79D.444.446 read from T0147_twice.t2k.frag # found chain 1e79D in template set T0147_twice 444 :MGEFEECLK 1e79D 443 :QILAGEYDH Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68048 Ang CB(36) at 67.4007 57.5687 49.9404 in (null):E-9999 (5) and CD1(62) at 66.3223 57.9195 52.3692 in (null):L-9999 (8) other bump:2.62898 Ang O(0) at 73.336 54.634 46.134 in (null):G-9999 (0) and CE1(29) at 73.2517 55.0926 43.5467 in (null):F-9999 (4) other bump:3.03556 Ang C(1) at 73.975 53.578 46.076 in (null):G-9999 (0) and CE1(29) at 73.2517 55.0926 43.5467 in (null):F-9999 (4) other bump:2.00401 Ang O(0) at 73.336 54.634 46.134 in (null):G-9999 (0) and CD1(27) at 72.2293 54.9751 44.4985 in (null):F-9999 (4) other bump:2.7364 Ang C(1) at 73.975 53.578 46.076 in (null):G-9999 (0) and CD1(27) at 72.2293 54.9751 44.4985 in (null):F-9999 (4) Number of specific fragments= 1 total=3431 # 2bnh.444.446 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 444 :MGEFEECLK 2bnh 446 :EGSKPGLRV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3432 # 1h8eD.444.446 read from T0147_twice.t2k.frag # found chain 1h8eD in template set T0147_twice 444 :MGEFEECLK 1h8eD 443 :QILAGEYDH Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88378 Ang CB(36) at 67.4643 56.6989 52.2035 in (null):E-9999 (5) and CD1(62) at 66.4265 57.2378 54.8396 in (null):L-9999 (8) other bump:3.00698 Ang C(1) at 74.013 52.534 48.4 in (null):G-9999 (0) and CE1(29) at 73.3188 54.149 45.9604 in (null):F-9999 (4) other bump:1.97256 Ang O(0) at 73.273 53.527 48.545 in (null):G-9999 (0) and CD1(27) at 72.2959 54.0524 46.914 in (null):F-9999 (4) other bump:2.73172 Ang C(1) at 74.013 52.534 48.4 in (null):G-9999 (0) and CD1(27) at 72.2959 54.0524 46.914 in (null):F-9999 (4) Number of specific fragments= 1 total=3433 # 1yveI.444.448 read from T0147_twice.t2k.frag # found chain 1yveI in template set T0147_twice 444 :MGEFEECLK 1yveI 520 :TARLGSRKW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3434 # 1qidA.444.444 read from T0147_twice.t2k.frag # found chain 1qidA in template set T0147_twice 444 :MGEFEECLK 1qidA 445 :EFVFGLPLV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42365 Ang CE(7) at 7.48064 80.5622 62.1599 in (null):M-9999 (1) and OE1(48) at 5.9309 80.7089 60.3022 in (null):E-9999 (6) Number of specific fragments= 1 total=3435 # 2bnh.445.445 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 445 :GEFEECLKI 2bnh 445 :LEGSKPGLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3436 # 1e79D.445.447 read from T0147_twice.t2k.frag # found chain 1e79D in template set T0147_twice 445 :GEFEECLKI 1e79D 444 :ILAGEYDHL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68048 Ang CB(28) at 67.4007 57.5687 49.9404 in (null):E-9999 (4) and CD1(54) at 66.3223 57.9195 52.3692 in (null):L-9999 (7) Number of specific fragments= 1 total=3437 # 2bnh.445.447 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 445 :GEFEECLKI 2bnh 447 :GSKPGLRVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3438 # 1h8eD.445.447 read from T0147_twice.t2k.frag # found chain 1h8eD in template set T0147_twice 445 :GEFEECLKI 1h8eD 444 :ILAGEYDHL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88378 Ang CB(28) at 67.4643 56.6989 52.2035 in (null):E-9999 (4) and CD1(54) at 66.4265 57.2378 54.8396 in (null):L-9999 (7) Number of specific fragments= 1 total=3439 # 1yveI.445.449 read from T0147_twice.t2k.frag # found chain 1yveI in template set T0147_twice 445 :GEFEECLKI 1yveI 521 :ARLGSRKWA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49546 Ang CG(38) at 5.64158 2.68828 69.6318 in (null):E-9999 (5) and CD1(72) at 3.91278 0.889982 69.5633 in (null):I-9999 (9) Number of specific fragments= 1 total=3440 # 1ea5A.445.445 read from T0147_twice.t2k.frag # found chain 1ea5A in training set T0147_twice 445 :GEFEECLKI 1ea5A 446 :FVFGLPLVK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3441 # 2bnh.446.446 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 446 :EFEECLKIL 2bnh 446 :EGSKPGLRV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3442 # 1e79D.446.448 read from T0147_twice.t2k.frag # found chain 1e79D in template set T0147_twice 446 :EFEECLKIL 1e79D 445 :LAGEYDHLP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68048 Ang CB(24) at 67.4007 57.5687 49.9404 in (null):E-9999 (3) and CD1(50) at 66.3223 57.9195 52.3692 in (null):L-9999 (6) Number of specific fragments= 1 total=3443 # 2bnh.446.448 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 446 :EFEECLKI 2bnh 448 :SKPGLRVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=3444 # 1h8eD.446.448 read from T0147_twice.t2k.frag # found chain 1h8eD in template set T0147_twice 446 :EFEECLKIL 1h8eD 445 :LAGEYDHLP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88379 Ang CB(24) at 67.4643 56.6989 52.2035 in (null):E-9999 (3) and CD1(50) at 66.4265 57.2378 54.8396 in (null):L-9999 (6) Number of specific fragments= 1 total=3445 # 1yveI.446.450 read from T0147_twice.t2k.frag # found chain 1yveI in template set T0147_twice 446 :EFEECLKIL 1yveI 522 :RLGSRKWAP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49546 Ang CG(34) at 5.64158 2.68828 69.6318 in (null):E-9999 (4) and CD1(68) at 3.91278 0.889987 69.5633 in (null):I-9999 (8) Number of specific fragments= 1 total=3446 # 1mhyD.446.447 read from T0147_twice.t2k.frag # adding 1mhyD to template set 1mhyD:# found chain 1mhyD in template set T0147_twice 446 :EFEECLKIL 1mhyD 453 :GERQWLIEP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52177 Ang O(44) at -41.759 90.578 47.942 in (null):C-9999 (5) and CD2(76) at -42.1543 93.0683 47.9831 in (null):L-9999 (9) other bump:2.77874 Ang CE2(18) at -48.739 88.2335 51.8316 in (null):F-9999 (2) and CD1(50) at -45.976 88.298 52.12 in (null):L-9999 (6) Number of specific fragments= 1 total=3447 # 2bnh.447.447 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 447 :FEECLKILD 2bnh 447 :GSKPGLRVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3448 # 1e79D.447.449 read from T0147_twice.t2k.frag # found chain 1e79D in template set T0147_twice 447 :FEECLKILD 1e79D 446 :AGEYDHLPE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68047 Ang CB(15) at 67.4007 57.5687 49.9404 in (null):E-9999 (2) and CD1(41) at 66.3223 57.9195 52.3692 in (null):L-9999 (5) Number of specific fragments= 1 total=3449 # 1h8eD.447.449 read from T0147_twice.t2k.frag # found chain 1h8eD in template set T0147_twice 447 :FEECLKILD 1h8eD 446 :AGEYDHLPE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88379 Ang CB(15) at 67.4643 56.6989 52.2035 in (null):E-9999 (2) and CD1(41) at 66.4265 57.2378 54.8396 in (null):L-9999 (5) Number of specific fragments= 1 total=3450 # 1ft1B.447.382 read from T0147_twice.t2k.frag # adding 1ft1B to template set 1ft1B:# found chain 1ft1B in template set T0147_twice 447 :FEECLKILD 1ft1B 383 :HDVVMGVPE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.14109 Ang CG(48) at 55.2302 62.6989 87.6224 in (null):K-9999 (6) and CA(55) at 53.995 59.847 87.167 in (null):I-9999 (7) neighbor-bump: 1.9568 Ang CG(48) at 55.2302 62.6989 87.6224 in (null):K-9999 (6) and N(54) at 54.821 60.973 86.796 in (null):I-9999 (7) self-bump: 2.47381 Ang CG(48) at 55.2302 62.6989 87.6224 in (null):K-9999 (6) and C(53) at 56.015 60.784 86.267 in (null):K-9999 (6) self-bump: 1.25835 Ang CA(46) at 56.808 62.039 85.972 in (null):K-9999 (6) and CB(47) at 56.424 62.9383 86.764 in (null):K-9999 (6) Number of specific fragments= 1 total=3451 # 1d8dB.447.382 read from T0147_twice.t2k.frag # adding 1d8dB to template set 1d8dB:# found chain 1d8dB in template set T0147_twice 447 :FEECLKILD 1d8dB 383 :HDVVMGVPE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.17474 Ang CG(48) at 98.0349 23.6923 2.44616 in (null):K-9999 (6) and CA(55) at 95.091 24.776 1.958 in (null):I-9999 (7) neighbor-bump: 1.95765 Ang CG(48) at 98.0349 23.6923 2.44616 in (null):K-9999 (6) and N(54) at 96.437 24.821 2.519 in (null):I-9999 (7) self-bump: 2.48009 Ang CG(48) at 98.0349 23.6923 2.44616 in (null):K-9999 (6) and C(53) at 97.084 25.974 2.648 in (null):K-9999 (6) self-bump: 1.27039 Ang CA(46) at 98.484 25.899 3.237 in (null):K-9999 (6) and CB(47) at 98.9358 24.7321 3.01755 in (null):K-9999 (6) Number of specific fragments= 1 total=3452 # 1jcrB.447.382 read from T0147_twice.t2k.frag # adding 1jcrB to template set 1jcrB:# found chain 1jcrB in template set T0147_twice 447 :FEECLKILD 1jcrB 383 :HDVVMGVPE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.16867 Ang CG(48) at 98.2206 23.7425 2.57682 in (null):K-9999 (6) and CA(55) at 95.296 24.847 2.06 in (null):I-9999 (7) neighbor-bump: 1.96876 Ang CG(48) at 98.2206 23.7425 2.57682 in (null):K-9999 (6) and N(54) at 96.632 24.904 2.634 in (null):I-9999 (7) self-bump: 2.48887 Ang CG(48) at 98.2206 23.7425 2.57682 in (null):K-9999 (6) and C(53) at 97.293 26.048 2.714 in (null):K-9999 (6) self-bump: 1.27368 Ang CA(46) at 98.684 25.967 3.319 in (null):K-9999 (6) and CB(47) at 99.1214 24.7833 3.14658 in (null):K-9999 (6) Number of specific fragments= 1 total=3453 # 2bnh.448.448 read from T0147_twice.t2k.frag # found chain 2bnh in template set T0147_twice 448 :EECLKILD 2bnh 448 :SKPGLRVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=3454 # 1ft1B.448.383 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 448 :EECLKILDA 1ft1B 384 :DVVMGVPEN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.14108 Ang CG(37) at 55.2302 62.6989 87.6224 in (null):K-9999 (5) and CA(44) at 53.995 59.847 87.167 in (null):I-9999 (6) neighbor-bump: 1.95679 Ang CG(37) at 55.2302 62.6989 87.6224 in (null):K-9999 (5) and N(43) at 54.821 60.973 86.796 in (null):I-9999 (6) self-bump: 2.47381 Ang CG(37) at 55.2302 62.6989 87.6224 in (null):K-9999 (5) and C(42) at 56.015 60.784 86.267 in (null):K-9999 (5) self-bump: 1.25835 Ang CA(35) at 56.808 62.039 85.972 in (null):K-9999 (5) and CB(36) at 56.424 62.9383 86.764 in (null):K-9999 (5) Number of specific fragments= 1 total=3455 # 1d8dB.448.383 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 448 :EECLKILDA 1d8dB 384 :DVVMGVPEN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.17475 Ang CG(37) at 98.0349 23.6923 2.44616 in (null):K-9999 (5) and CA(44) at 95.091 24.776 1.958 in (null):I-9999 (6) neighbor-bump: 1.95765 Ang CG(37) at 98.0349 23.6923 2.44616 in (null):K-9999 (5) and N(43) at 96.437 24.821 2.519 in (null):I-9999 (6) self-bump: 2.48009 Ang CG(37) at 98.0349 23.6923 2.44616 in (null):K-9999 (5) and C(42) at 97.084 25.974 2.648 in (null):K-9999 (5) self-bump: 1.27038 Ang CA(35) at 98.484 25.899 3.237 in (null):K-9999 (5) and CB(36) at 98.9358 24.7321 3.01754 in (null):K-9999 (5) Number of specific fragments= 1 total=3456 # 1jcrB.448.383 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 448 :EECLKILDA 1jcrB 384 :DVVMGVPEN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.16866 Ang CG(37) at 98.2206 23.7425 2.57682 in (null):K-9999 (5) and CA(44) at 95.296 24.847 2.06 in (null):I-9999 (6) neighbor-bump: 1.96876 Ang CG(37) at 98.2206 23.7425 2.57682 in (null):K-9999 (5) and N(43) at 96.632 24.904 2.634 in (null):I-9999 (6) self-bump: 2.48887 Ang CG(37) at 98.2206 23.7425 2.57682 in (null):K-9999 (5) and C(42) at 97.293 26.048 2.714 in (null):K-9999 (5) self-bump: 1.27367 Ang CA(35) at 98.684 25.967 3.319 in (null):K-9999 (5) and CB(36) at 99.1214 24.7833 3.14657 in (null):K-9999 (5) Number of specific fragments= 1 total=3457 # 1e79D.448.450 read from T0147_twice.t2k.frag # found chain 1e79D in template set T0147_twice 448 :EECLKILDA 1e79D 447 :GEYDHLPEQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68048 Ang CB(4) at 67.4007 57.5687 49.9404 in (null):E-9999 (1) and CD1(30) at 66.3223 57.9195 52.3692 in (null):L-9999 (4) Number of specific fragments= 1 total=3458 # 1aogA.448.448 read from T0147_twice.t2k.frag # adding 1aogA to template set 1aogA:# found chain 1aogA in template set T0147_twice 448 :EECLKILDA 1aogA 451 :ISDFYNTIG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62395 Ang O(18) at 55.63 22.412 0.86 in (null):E-9999 (2) and CD1(48) at 57.092 24.1616 2.15873 in (null):I-9999 (6) other bump:2.68579 Ang O(18) at 55.63 22.412 0.86 in (null):E-9999 (2) and CB(45) at 56.0111 22.2907 3.51585 in (null):I-9999 (6) Number of specific fragments= 1 total=3459 # 1ft1B.449.384 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 449 :ECLKILDAV 1ft1B 385 :VVMGVPENV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.14108 Ang CG(28) at 55.2302 62.6989 87.6224 in (null):K-9999 (4) and CA(35) at 53.995 59.847 87.167 in (null):I-9999 (5) neighbor-bump: 1.95679 Ang CG(28) at 55.2302 62.6989 87.6224 in (null):K-9999 (4) and N(34) at 54.821 60.973 86.796 in (null):I-9999 (5) self-bump: 2.47381 Ang CG(28) at 55.2302 62.6989 87.6224 in (null):K-9999 (4) and C(33) at 56.015 60.784 86.267 in (null):K-9999 (4) self-bump: 1.25835 Ang CA(26) at 56.808 62.039 85.972 in (null):K-9999 (4) and CB(27) at 56.424 62.9383 86.764 in (null):K-9999 (4) Number of specific fragments= 1 total=3460 # 1d8dB.449.384 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 449 :ECLKILDAV 1d8dB 385 :VVMGVPENV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.17475 Ang CG(28) at 98.0349 23.6923 2.44616 in (null):K-9999 (4) and CA(35) at 95.091 24.776 1.958 in (null):I-9999 (5) neighbor-bump: 1.95765 Ang CG(28) at 98.0349 23.6923 2.44616 in (null):K-9999 (4) and N(34) at 96.437 24.821 2.519 in (null):I-9999 (5) self-bump: 2.4801 Ang CG(28) at 98.0349 23.6923 2.44616 in (null):K-9999 (4) and C(33) at 97.084 25.974 2.648 in (null):K-9999 (4) self-bump: 1.27039 Ang CA(26) at 98.484 25.899 3.237 in (null):K-9999 (4) and CB(27) at 98.9358 24.7321 3.01754 in (null):K-9999 (4) Number of specific fragments= 1 total=3461 # 1jcrB.449.384 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 449 :ECLKILDAV 1jcrB 385 :VVMGVPENV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.16866 Ang CG(28) at 98.2206 23.7425 2.57682 in (null):K-9999 (4) and CA(35) at 95.296 24.847 2.06 in (null):I-9999 (5) neighbor-bump: 1.96875 Ang CG(28) at 98.2206 23.7425 2.57682 in (null):K-9999 (4) and N(34) at 96.632 24.904 2.634 in (null):I-9999 (5) self-bump: 2.48887 Ang CG(28) at 98.2206 23.7425 2.57682 in (null):K-9999 (4) and C(33) at 97.293 26.048 2.714 in (null):K-9999 (4) self-bump: 1.27367 Ang CA(26) at 98.684 25.967 3.319 in (null):K-9999 (4) and CB(27) at 99.1214 24.7833 3.14658 in (null):K-9999 (4) Number of specific fragments= 1 total=3462 # 1aogA.449.449 read from T0147_twice.t2k.frag # found chain 1aogA in template set T0147_twice 449 :ECLKILDAV 1aogA 452 :SDFYNTIGV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62395 Ang O(9) at 55.63 22.412 0.86 in (null):E-9999 (1) and CD1(39) at 57.092 24.1616 2.15873 in (null):I-9999 (5) other bump:2.68579 Ang O(9) at 55.63 22.412 0.86 in (null):E-9999 (1) and CB(36) at 56.0111 22.2907 3.51585 in (null):I-9999 (5) Number of specific fragments= 1 total=3463 # 1fvkA.449.157 read from T0147_twice.t2k.frag # adding 1fvkA to template set 1fvkA:Skipped atom 1033, because occupancy 0.5 <= existing 0.500001 Skipped atom 1035, because occupancy 0.5 <= existing 0.500001 Skipped atom 1350, because occupancy 0.5 <= existing 0.500001 Skipped atom 1352, because occupancy 0.5 <= existing 0.500001 Skipped atom 1354, because occupancy 0.5 <= existing 0.500001 Skipped atom 1356, because occupancy 0.5 <= existing 0.500001 Skipped atom 1358, because occupancy 0.5 <= existing 0.500001 Skipped atom 1447, because occupancy 0.5 <= existing 0.500001 Skipped atom 1449, because occupancy 0.5 <= existing 0.500001 Skipped atom 1451, because occupancy 0.5 <= existing 0.500001 Skipped atom 1453, because occupancy 0.5 <= existing 0.500001 Skipped atom 1455, because occupancy 0.5 <= existing 0.500001 # found chain 1fvkA in template set T0147_twice 449 :ECLKILDAV 1fvkA 158 :KYQLNPQGM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.07888 Ang C(62) at -3.685 18.111 23.675 in (null):A-9999 (8) and CG1(66) at -1.75955 16.1104 25.0053 in (null):V-9999 (9) Number of specific fragments= 1 total=3464 # 1e79D.449.451 read from T0147_twice.t2k.frag # found chain 1e79D in template set T0147_twice 449 :ECLKILDAV 1e79D 448 :EYDHLPEQA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31741 Ang CD1(39) at 69.9788 47.5681 57.3863 in (null):I-9999 (5) and CG1(66) at 71.5906 46.4412 58.6122 in (null):V-9999 (9) other bump:2.98189 Ang CD1(39) at 69.9788 47.5681 57.3863 in (null):I-9999 (5) and CB(65) at 71.7075 47.3687 59.8078 in (null):V-9999 (9) Number of specific fragments= 1 total=3465 # 1ft1B.450.385 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 450 :CLKILDAVD 1ft1B 386 :VMGVPENVL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.14109 Ang CG(19) at 55.2302 62.6989 87.6224 in (null):K-9999 (3) and CA(26) at 53.995 59.847 87.167 in (null):I-9999 (4) neighbor-bump: 1.9568 Ang CG(19) at 55.2302 62.6989 87.6224 in (null):K-9999 (3) and N(25) at 54.821 60.973 86.796 in (null):I-9999 (4) self-bump: 2.47381 Ang CG(19) at 55.2302 62.6989 87.6224 in (null):K-9999 (3) and C(24) at 56.015 60.784 86.267 in (null):K-9999 (3) self-bump: 1.25835 Ang CA(17) at 56.808 62.039 85.972 in (null):K-9999 (3) and CB(18) at 56.424 62.9383 86.764 in (null):K-9999 (3) Number of specific fragments= 1 total=3466 # 1jcrB.450.385 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 450 :CLKILDAVD 1jcrB 386 :VMGVPENVL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.16867 Ang CG(19) at 98.2206 23.7425 2.57682 in (null):K-9999 (3) and CA(26) at 95.296 24.847 2.06 in (null):I-9999 (4) neighbor-bump: 1.96876 Ang CG(19) at 98.2206 23.7425 2.57682 in (null):K-9999 (3) and N(25) at 96.632 24.904 2.634 in (null):I-9999 (4) self-bump: 2.48887 Ang CG(19) at 98.2206 23.7425 2.57682 in (null):K-9999 (3) and C(24) at 97.293 26.048 2.714 in (null):K-9999 (3) self-bump: 1.27367 Ang CA(17) at 98.684 25.967 3.319 in (null):K-9999 (3) and CB(18) at 99.1214 24.7833 3.14658 in (null):K-9999 (3) Number of specific fragments= 1 total=3467 # 1d8dB.450.385 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 450 :CLKILDAVD 1d8dB 386 :VMGVPENVL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.17475 Ang CG(19) at 98.0349 23.6923 2.44617 in (null):K-9999 (3) and CA(26) at 95.091 24.776 1.958 in (null):I-9999 (4) neighbor-bump: 1.95766 Ang CG(19) at 98.0349 23.6923 2.44617 in (null):K-9999 (3) and N(25) at 96.437 24.821 2.519 in (null):I-9999 (4) self-bump: 2.4801 Ang CG(19) at 98.0349 23.6923 2.44617 in (null):K-9999 (3) and C(24) at 97.084 25.974 2.648 in (null):K-9999 (3) self-bump: 1.27039 Ang CA(17) at 98.484 25.899 3.237 in (null):K-9999 (3) and CB(18) at 98.9358 24.7321 3.01755 in (null):K-9999 (3) Number of specific fragments= 1 total=3468 # 1fvkA.450.158 read from T0147_twice.t2k.frag # found chain 1fvkA in template set T0147_twice 450 :CLKILDAVD 1fvkA 159 :YQLNPQGMD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3469 # 1aogA.450.450 read from T0147_twice.t2k.frag # found chain 1aogA in template set T0147_twice 450 :CLKILDAVD 1aogA 453 :DFYNTIGVH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62395 Ang O(0) at 55.63 22.412 0.86 in (null):G-9999 (0) and CD1(30) at 57.092 24.1616 2.15873 in (null):I-9999 (4) other bump:2.68579 Ang O(0) at 55.63 22.412 0.86 in (null):G-9999 (0) and CB(27) at 56.0111 22.2907 3.51585 in (null):I-9999 (4) Number of specific fragments= 1 total=3470 # 1dsbA.450.158 read from T0147_twice.t2k.frag # adding 1dsbA to template set 1dsbA:# found chain 1dsbA in template set T0147_twice 450 :CLKILDAVD 1dsbA 159 :YQLNPQGMD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3471 # 1ft1B.451.386 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 451 :LKILDAVDF 1ft1B 387 :MGVPENVLQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.1411 Ang CG(13) at 55.2302 62.6989 87.6224 in (null):K-9999 (2) and CA(20) at 53.995 59.847 87.167 in (null):I-9999 (3) neighbor-bump: 1.95681 Ang CG(13) at 55.2302 62.6989 87.6224 in (null):K-9999 (2) and N(19) at 54.821 60.973 86.796 in (null):I-9999 (3) self-bump: 2.47381 Ang CG(13) at 55.2302 62.6989 87.6224 in (null):K-9999 (2) and C(18) at 56.015 60.784 86.267 in (null):K-9999 (2) self-bump: 1.25835 Ang CA(11) at 56.808 62.039 85.972 in (null):K-9999 (2) and CB(12) at 56.424 62.9383 86.764 in (null):K-9999 (2) Number of specific fragments= 1 total=3472 # 1jcrB.451.386 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 451 :LKILDAVDF 1jcrB 387 :MGVPENVLQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.16867 Ang CG(13) at 98.2206 23.7425 2.57682 in (null):K-9999 (2) and CA(20) at 95.296 24.847 2.06 in (null):I-9999 (3) neighbor-bump: 1.96876 Ang CG(13) at 98.2206 23.7425 2.57682 in (null):K-9999 (2) and N(19) at 96.632 24.904 2.634 in (null):I-9999 (3) self-bump: 2.48888 Ang CG(13) at 98.2206 23.7425 2.57682 in (null):K-9999 (2) and C(18) at 97.293 26.048 2.714 in (null):K-9999 (2) self-bump: 1.27368 Ang CA(11) at 98.684 25.967 3.319 in (null):K-9999 (2) and CB(12) at 99.1214 24.7833 3.14657 in (null):K-9999 (2) Number of specific fragments= 1 total=3473 # 1d8dB.451.386 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 451 :LKILDAVDF 1d8dB 387 :MGVPENVLQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.17475 Ang CG(13) at 98.0349 23.6923 2.44617 in (null):K-9999 (2) and CA(20) at 95.091 24.776 1.958 in (null):I-9999 (3) neighbor-bump: 1.95766 Ang CG(13) at 98.0349 23.6923 2.44617 in (null):K-9999 (2) and N(19) at 96.437 24.821 2.519 in (null):I-9999 (3) self-bump: 2.4801 Ang CG(13) at 98.0349 23.6923 2.44617 in (null):K-9999 (2) and C(18) at 97.084 25.974 2.648 in (null):K-9999 (2) self-bump: 1.2704 Ang CA(11) at 98.484 25.899 3.237 in (null):K-9999 (2) and CB(12) at 98.9358 24.7321 3.01755 in (null):K-9999 (2) Number of specific fragments= 1 total=3474 # 1fvkA.451.159 read from T0147_twice.t2k.frag # found chain 1fvkA in template set T0147_twice 451 :LKILDAVDF 1fvkA 160 :QLNPQGMDT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3475 # 1aogA.451.451 read from T0147_twice.t2k.frag # found chain 1aogA in template set T0147_twice 451 :LKILDAVDF 1aogA 454 :FYNTIGVHP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26318 Ang OD1(59) at 55.9417 4.70358 7.97658 in (null):D-9999 (8) and CE1(69) at 57.8447 3.76224 7.1926 in (null):F-9999 (9) neighbor-bump: 1.90829 Ang OD1(59) at 55.9417 4.70358 7.97658 in (null):D-9999 (8) and CD1(67) at 56.6309 3.68989 6.51406 in (null):F-9999 (9) neighbor-bump: 2.50997 Ang OD1(59) at 55.9417 4.70358 7.97658 in (null):D-9999 (8) and CG(66) at 55.7987 2.56369 6.6726 in (null):F-9999 (9) Number of specific fragments= 1 total=3476 # 1mhyD.451.454 read from T0147_twice.t2k.frag # found chain 1mhyD in template set T0147_twice 451 :LKILDAVDF 1mhyD 460 :EPERYECHN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3477 # 1ft1B.452.387 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 452 :KILDAVDFP 1ft1B 388 :GVPENVLQP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.4269 Ang CB(4) at 56.3099 62.8895 86.7868 in (null):K-9999 (1) and N(11) at 54.821 60.973 86.796 in (null):I-9999 (2) self-bump: 2.18867 Ang CB(4) at 56.3099 62.8895 86.7868 in (null):K-9999 (1) and C(10) at 56.015 60.784 86.267 in (null):K-9999 (1) self-bump: 1.27881 Ang CA(3) at 56.808 62.039 85.972 in (null):K-9999 (1) and CB(4) at 56.3099 62.8895 86.7868 in (null):K-9999 (1) Number of specific fragments= 1 total=3478 # 1jcrB.452.387 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 452 :KILDAVDFP 1jcrB 388 :GVPENVLQP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.43749 Ang CB(4) at 99.0132 24.7301 3.12487 in (null):K-9999 (1) and N(11) at 96.632 24.904 2.634 in (null):I-9999 (2) self-bump: 2.20564 Ang CB(4) at 99.0132 24.7301 3.12487 in (null):K-9999 (1) and C(10) at 97.293 26.048 2.714 in (null):K-9999 (1) self-bump: 1.29461 Ang CA(3) at 98.684 25.967 3.319 in (null):K-9999 (1) and CB(4) at 99.0132 24.7301 3.12487 in (null):K-9999 (1) Number of specific fragments= 1 total=3479 # 1d8dB.452.387 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 452 :KILDAVDFP 1d8dB 388 :GVPENVLQP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44136 Ang CB(4) at 98.8261 24.6769 3.00025 in (null):K-9999 (1) and N(11) at 96.437 24.821 2.519 in (null):I-9999 (2) self-bump: 2.20032 Ang CB(4) at 98.8261 24.6769 3.00025 in (null):K-9999 (1) and C(10) at 97.084 25.974 2.648 in (null):K-9999 (1) self-bump: 1.29094 Ang CA(3) at 98.484 25.899 3.237 in (null):K-9999 (1) and CB(4) at 98.8261 24.6769 3.00025 in (null):K-9999 (1) Number of specific fragments= 1 total=3480 # 1mhyD.452.455 read from T0147_twice.t2k.frag # found chain 1mhyD in template set T0147_twice 452 :KILDAVDFP 1mhyD 461 :PERYECHNV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76662 Ang CD2(60) at -51.7898 97.8782 35.5843 in (null):F-9999 (8) and N(73) at -51.728 100.278 34.209 in (null):G-9999 (10) Number of specific fragments= 1 total=3481 # 1aogA.452.452 read from T0147_twice.t2k.frag # found chain 1aogA in template set T0147_twice 452 :KILDAVDFP 1aogA 455 :YNTIGVHPT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.0348 Ang O(45) at 52.271 7.805 5.838 in (null):V-9999 (6) and CD(70) at 52.2595 5.93161 5.04385 in (null):P-9999 (9) other bump:3.00077 Ang C(46) at 52.265 8.208 6.999 in (null):V-9999 (6) and CD(70) at 52.2595 5.93161 5.04385 in (null):P-9999 (9) other bump:3.01431 Ang CA(48) at 53.837 6.428 7.564 in (null):D-9999 (7) and CD(70) at 52.2595 5.93161 5.04385 in (null):P-9999 (9) other bump:2.13676 Ang O(45) at 52.271 7.805 5.838 in (null):V-9999 (6) and CG(69) at 51.3514 6.80769 4.18712 in (null):P-9999 (9) other bump:3.27143 Ang C(46) at 52.265 8.208 6.999 in (null):V-9999 (6) and CG(69) at 51.3514 6.80769 4.18712 in (null):P-9999 (9) neighbor-bump: 2.26318 Ang OD1(51) at 55.9417 4.70358 7.97658 in (null):D-9999 (7) and CE1(61) at 57.8447 3.76224 7.1926 in (null):F-9999 (8) neighbor-bump: 1.90829 Ang OD1(51) at 55.9417 4.70358 7.97658 in (null):D-9999 (7) and CD1(59) at 56.6309 3.68989 6.51406 in (null):F-9999 (8) neighbor-bump: 2.50997 Ang OD1(51) at 55.9417 4.70358 7.97658 in (null):D-9999 (7) and CG(58) at 55.7987 2.56369 6.6726 in (null):F-9999 (8) Number of specific fragments= 1 total=3482 # 1fvkA.452.160 read from T0147_twice.t2k.frag # found chain 1fvkA in template set T0147_twice 452 :KILDAVDFP 1fvkA 161 :LNPQGMDTS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42653 Ang CG(50) at -8.574 12.709 28.041 in (null):D-9999 (7) and CD(70) at -9.27998 13.6451 30.1654 in (null):P-9999 (9) other bump:1.48923 Ang OD1(51) at -9.279 13.514 28.682 in (null):D-9999 (7) and CD(70) at -9.27998 13.6451 30.1654 in (null):P-9999 (9) neighbor-bump: 2.41575 Ang N(55) at -7.511 15.251 29.808 in (null):F-9999 (8) and CD(70) at -9.27998 13.6451 30.1654 in (null):P-9999 (9) other bump:2.96355 Ang CG(50) at -8.574 12.709 28.041 in (null):D-9999 (7) and CG(69) at -10.6816 13.0685 30.0932 in (null):P-9999 (9) other bump:2.03892 Ang OD1(51) at -9.279 13.514 28.682 in (null):D-9999 (7) and CG(69) at -10.6816 13.0685 30.0932 in (null):P-9999 (9) Number of specific fragments= 1 total=3483 # 1jcrB.453.388 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 453 :ILDAVDFPP 1jcrB 389 :VPENVLQPT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3484 # 1d8dB.453.388 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 453 :ILDAVDFPP 1d8dB 389 :VPENVLQPT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3485 # 1ft1B.453.388 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 453 :ILDAVDFPP 1ft1B 389 :VPENVLQPT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3486 # 1mhyD.453.456 read from T0147_twice.t2k.frag # found chain 1mhyD in template set T0147_twice 453 :ILDAVDFPP 1mhyD 462 :ERYECHNVF Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.48846 Ang CD2(51) at -51.7898 97.8782 35.5843 in (null):F-9999 (7) and CD(68) at -52.2354 98.9825 34.6913 in (null):P-9999 (9) other bump:1.91059 Ang CE2(53) at -52.9568 97.2736 35.1492 in (null):F-9999 (7) and CD(68) at -52.2354 98.9825 34.6913 in (null):P-9999 (9) other bump:2.70556 Ang CG(49) at -50.6586 97.1251 35.8677 in (null):F-9999 (7) and CD(68) at -52.2354 98.9825 34.6913 in (null):P-9999 (9) other bump:2.28615 Ang CD2(51) at -51.7898 97.8782 35.5843 in (null):F-9999 (7) and CG(67) at -53.5153 99.3677 35.4095 in (null):P-9999 (9) other bump:2.18285 Ang CE2(53) at -52.9568 97.2736 35.1492 in (null):F-9999 (7) and CG(67) at -53.5153 99.3677 35.4095 in (null):P-9999 (9) other bump:2.76662 Ang CD2(51) at -51.7898 97.8782 35.5843 in (null):F-9999 (7) and N(64) at -51.728 100.278 34.209 in (null):P-9999 (9) Number of specific fragments= 1 total=3487 # 1aogA.453.453 read from T0147_twice.t2k.frag # found chain 1aogA in template set T0147_twice 453 :ILDAVDFPP 1aogA 456 :NTIGVHPTS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.0348 Ang O(36) at 52.271 7.805 5.838 in (null):V-9999 (5) and CD(61) at 52.2595 5.93161 5.04384 in (null):P-9999 (8) other bump:3.00077 Ang C(37) at 52.265 8.208 6.999 in (null):V-9999 (5) and CD(61) at 52.2595 5.93161 5.04384 in (null):P-9999 (8) other bump:3.01431 Ang CA(39) at 53.837 6.428 7.564 in (null):D-9999 (6) and CD(61) at 52.2595 5.93161 5.04384 in (null):P-9999 (8) other bump:2.13675 Ang O(36) at 52.271 7.805 5.838 in (null):V-9999 (5) and CG(60) at 51.3514 6.80769 4.18712 in (null):P-9999 (8) other bump:3.27142 Ang C(37) at 52.265 8.208 6.999 in (null):V-9999 (5) and CG(60) at 51.3514 6.80769 4.18712 in (null):P-9999 (8) neighbor-bump: 2.26318 Ang OD1(42) at 55.9417 4.70358 7.97658 in (null):D-9999 (6) and CE1(52) at 57.8447 3.76224 7.1926 in (null):F-9999 (7) neighbor-bump: 1.90829 Ang OD1(42) at 55.9417 4.70358 7.97658 in (null):D-9999 (6) and CD1(50) at 56.6309 3.68989 6.51406 in (null):F-9999 (7) neighbor-bump: 2.50997 Ang OD1(42) at 55.9417 4.70358 7.97658 in (null):D-9999 (6) and CG(49) at 55.7987 2.56369 6.6726 in (null):F-9999 (7) Number of specific fragments= 1 total=3488 # 1lam.453.455 read from T0147_twice.t2k.frag # found chain 1lam in template set T0147_twice 453 :ILDAVDFPP 1lam 456 :NKDEVPYLR Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62016 Ang O(36) at 44.408 63.592 25.347 in (null):V-9999 (5) and CD(61) at 44.0869 64.8336 23.0621 in (null):P-9999 (8) other bump:3.17106 Ang C(37) at 44.804 64.457 26.128 in (null):V-9999 (5) and CD(61) at 44.0869 64.8336 23.0621 in (null):P-9999 (8) other bump:2.90436 Ang CG1(34) at 46.334 66.292 24.184 in (null):V-9999 (5) and CD(61) at 44.0869 64.8336 23.0621 in (null):P-9999 (8) other bump:3.14643 Ang CG1(34) at 46.334 66.292 24.184 in (null):V-9999 (5) and CG(60) at 44.9429 64.7967 21.7905 in (null):P-9999 (8) other bump:3.1256 Ang CD1(7) at 47.5842 62.2076 21.1527 in (null):I-9999 (1) and CB(59) at 44.7019 63.4153 21.2126 in (null):P-9999 (8) self-bump: 1.28159 Ang CA(11) at 46.695 56.954 25.853 in (null):L-9999 (2) and CB(12) at 46.8456 56.0784 26.7766 in (null):L-9999 (2) Number of specific fragments= 1 total=3489 # 1jcrB.454.389 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 454 :LDAVDFPPE 1jcrB 390 :PENVLQPTH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3490 # 1d8dB.454.389 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 454 :LDAVDFPPE 1d8dB 390 :PENVLQPTH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3491 # 1ft1B.454.389 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 454 :LDAVDFPPE 1ft1B 390 :PENVLQPTH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3492 # 1mhyD.454.457 read from T0147_twice.t2k.frag # found chain 1mhyD in template set T0147_twice 454 :LDAVDFPPE 1mhyD 463 :RYECHNVFE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.9106 Ang CE2(45) at -52.9568 97.2736 35.1492 in (null):F-9999 (6) and CD(60) at -52.2354 98.9826 34.6913 in (null):P-9999 (8) other bump:2.70557 Ang CG(41) at -50.6586 97.1251 35.8677 in (null):F-9999 (6) and CD(60) at -52.2354 98.9826 34.6913 in (null):P-9999 (8) other bump:1.48847 Ang CD2(43) at -51.7898 97.8782 35.5843 in (null):F-9999 (6) and CD(60) at -52.2354 98.9826 34.6913 in (null):P-9999 (8) other bump:2.18286 Ang CE2(45) at -52.9568 97.2736 35.1492 in (null):F-9999 (6) and CG(59) at -53.5153 99.3677 35.4095 in (null):P-9999 (8) other bump:2.28615 Ang CD2(43) at -51.7898 97.8782 35.5843 in (null):F-9999 (6) and CG(59) at -53.5153 99.3677 35.4095 in (null):P-9999 (8) other bump:2.76662 Ang CD2(43) at -51.7898 97.8782 35.5843 in (null):F-9999 (6) and N(56) at -51.728 100.278 34.209 in (null):P-9999 (8) Number of specific fragments= 1 total=3493 # 1aogA.454.454 read from T0147_twice.t2k.frag # found chain 1aogA in template set T0147_twice 454 :LDAVDFPPE 1aogA 457 :TIGVHPTSA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.0348 Ang O(28) at 52.271 7.805 5.838 in (null):V-9999 (4) and CD(53) at 52.2595 5.93161 5.04384 in (null):P-9999 (7) other bump:3.00077 Ang C(29) at 52.265 8.208 6.999 in (null):V-9999 (4) and CD(53) at 52.2595 5.93161 5.04384 in (null):P-9999 (7) other bump:3.01431 Ang CA(31) at 53.837 6.428 7.564 in (null):D-9999 (5) and CD(53) at 52.2595 5.93161 5.04384 in (null):P-9999 (7) other bump:2.13675 Ang O(28) at 52.271 7.805 5.838 in (null):V-9999 (4) and CG(52) at 51.3514 6.80769 4.18712 in (null):P-9999 (7) other bump:3.27142 Ang C(29) at 52.265 8.208 6.999 in (null):V-9999 (4) and CG(52) at 51.3514 6.80769 4.18712 in (null):P-9999 (7) neighbor-bump: 2.26318 Ang OD1(34) at 55.9417 4.70358 7.97658 in (null):D-9999 (5) and CE1(44) at 57.8447 3.76224 7.1926 in (null):F-9999 (6) neighbor-bump: 1.90829 Ang OD1(34) at 55.9417 4.70358 7.97658 in (null):D-9999 (5) and CD1(42) at 56.6309 3.68989 6.51406 in (null):F-9999 (6) neighbor-bump: 2.50997 Ang OD1(34) at 55.9417 4.70358 7.97658 in (null):D-9999 (5) and CG(41) at 55.7987 2.56369 6.6726 in (null):F-9999 (6) Number of specific fragments= 1 total=3494 # 1lam.454.456 read from T0147_twice.t2k.frag # found chain 1lam in template set T0147_twice 454 :LDAVDFPPE 1lam 457 :KDEVPYLRK Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.90975 Ang CD2(7) at 46.7495 54.0118 25.1515 in (null):L-9999 (1) and OE2(69) at 45.5348 52.6704 24.5414 in (null):E-9999 (9) other bump:2.60752 Ang CD2(7) at 46.7495 54.0118 25.1515 in (null):L-9999 (1) and CD(67) at 44.6053 53.2108 23.9025 in (null):E-9999 (9) other bump:2.83008 Ang CD2(7) at 46.7495 54.0118 25.1515 in (null):L-9999 (1) and CG(66) at 44.9444 54.401 23.0069 in (null):E-9999 (9) other bump:2.62016 Ang O(28) at 44.408 63.592 25.347 in (null):V-9999 (4) and CD(53) at 44.0869 64.8336 23.0621 in (null):P-9999 (7) other bump:3.17106 Ang C(29) at 44.804 64.457 26.128 in (null):V-9999 (4) and CD(53) at 44.0869 64.8336 23.0621 in (null):P-9999 (7) other bump:2.90436 Ang CG1(26) at 46.334 66.292 24.184 in (null):V-9999 (4) and CD(53) at 44.0869 64.8336 23.0621 in (null):P-9999 (7) other bump:3.14643 Ang CG1(26) at 46.334 66.292 24.184 in (null):V-9999 (4) and CG(52) at 44.9429 64.7967 21.7905 in (null):P-9999 (7) self-bump: 2.20291 Ang CB(4) at 46.6841 56.0016 26.6741 in (null):L-9999 (1) and C(9) at 45.546 57.851 26.304 in (null):L-9999 (1) self-bump: 1.2576 Ang CA(3) at 46.695 56.954 25.853 in (null):L-9999 (1) and CB(4) at 46.6841 56.0016 26.6741 in (null):L-9999 (1) Number of specific fragments= 1 total=3495 # 1mhyD.455.458 read from T0147_twice.t2k.frag # found chain 1mhyD in template set T0147_twice 455 :DAVDFPPER 1mhyD 464 :YECHNVFEQ Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.9106 Ang CE2(37) at -52.9568 97.2736 35.1492 in (null):F-9999 (5) and CD(52) at -52.2354 98.9826 34.6913 in (null):P-9999 (7) other bump:2.70557 Ang CG(33) at -50.6586 97.1251 35.8677 in (null):F-9999 (5) and CD(52) at -52.2354 98.9826 34.6913 in (null):P-9999 (7) other bump:1.48847 Ang CD2(35) at -51.7898 97.8782 35.5843 in (null):F-9999 (5) and CD(52) at -52.2354 98.9826 34.6913 in (null):P-9999 (7) other bump:2.18286 Ang CE2(37) at -52.9568 97.2736 35.1492 in (null):F-9999 (5) and CG(51) at -53.5153 99.3677 35.4095 in (null):P-9999 (7) other bump:2.28615 Ang CD2(35) at -51.7898 97.8782 35.5843 in (null):F-9999 (5) and CG(51) at -53.5153 99.3677 35.4095 in (null):P-9999 (7) other bump:2.76662 Ang CD2(35) at -51.7898 97.8782 35.5843 in (null):F-9999 (5) and N(48) at -51.728 100.278 34.209 in (null):P-9999 (7) Number of specific fragments= 1 total=3496 # 1jcrB.455.390 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 455 :DAVDFPPER 1jcrB 391 :ENVLQPTHP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3497 # 1d8dB.455.390 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 455 :DAVDFPPER 1d8dB 391 :ENVLQPTHP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3498 # 1ft1B.455.390 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 455 :DAVDFPPER 1ft1B 391 :ENVLQPTHP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3499 # 1aogA.455.455 read from T0147_twice.t2k.frag # found chain 1aogA in template set T0147_twice 455 :DAVDFPPER 1aogA 458 :IGVHPTSAE Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6049 Ang CB(17) at 49.965 9.282 7.039 in (null):V-9999 (3) and NH2(72) at 52.2001 8.94459 8.33368 in (null):R-9999 (9) other bump:1.52583 Ang C(21) at 52.265 8.208 6.999 in (null):V-9999 (3) and NH2(72) at 52.2001 8.94459 8.33368 in (null):R-9999 (9) other bump:1.6518 Ang N(22) at 53.016 7.578 7.892 in (null):D-9999 (4) and NH2(72) at 52.2001 8.94459 8.33368 in (null):R-9999 (9) other bump:2.32628 Ang N(15) at 52.077 10.46 6.573 in (null):V-9999 (3) and NH2(72) at 52.2001 8.94459 8.33368 in (null):R-9999 (9) other bump:2.80578 Ang C(14) at 53.032 11.267 6.997 in (null):A-9999 (2) and NH2(72) at 52.2001 8.94459 8.33368 in (null):R-9999 (9) other bump:1.2912 Ang CA(16) at 51.465 9.446 7.398 in (null):V-9999 (3) and NH2(72) at 52.2001 8.94459 8.33368 in (null):R-9999 (9) other bump:2.79859 Ang C(21) at 52.265 8.208 6.999 in (null):V-9999 (3) and NH1(71) at 53.9103 10.3425 7.75352 in (null):R-9999 (9) other bump:2.60796 Ang CA(11) at 53.583 12.167 5.919 in (null):A-9999 (2) and NH1(71) at 53.9103 10.3425 7.75352 in (null):R-9999 (9) other bump:2.18363 Ang N(15) at 52.077 10.46 6.573 in (null):V-9999 (3) and NH1(71) at 53.9103 10.3425 7.75352 in (null):R-9999 (9) other bump:1.14013 Ang O(13) at 53.454 11.31 8.148 in (null):A-9999 (2) and NH1(71) at 53.9103 10.3425 7.75352 in (null):R-9999 (9) other bump:1.4827 Ang C(14) at 53.032 11.267 6.997 in (null):A-9999 (2) and NH1(71) at 53.9103 10.3425 7.75352 in (null):R-9999 (9) other bump:2.62856 Ang CA(16) at 51.465 9.446 7.398 in (null):V-9999 (3) and NH1(71) at 53.9103 10.3425 7.75352 in (null):R-9999 (9) other bump:2.37997 Ang O(20) at 52.271 7.805 5.838 in (null):V-9999 (3) and CZ(70) at 53.1792 9.26234 7.48592 in (null):R-9999 (9) other bump:1.47799 Ang C(21) at 52.265 8.208 6.999 in (null):V-9999 (3) and CZ(70) at 53.1792 9.26234 7.48592 in (null):R-9999 (9) other bump:1.74027 Ang N(22) at 53.016 7.578 7.892 in (null):D-9999 (4) and CZ(70) at 53.1792 9.26234 7.48592 in (null):R-9999 (9) other bump:2.91073 Ang CA(23) at 53.837 6.428 7.564 in (null):D-9999 (4) and CZ(70) at 53.1792 9.26234 7.48592 in (null):R-9999 (9) other bump:1.86617 Ang N(15) at 52.077 10.46 6.573 in (null):V-9999 (3) and CZ(70) at 53.1792 9.26234 7.48592 in (null):R-9999 (9) other bump:2.16951 Ang O(13) at 53.454 11.31 8.148 in (null):A-9999 (2) and CZ(70) at 53.1792 9.26234 7.48592 in (null):R-9999 (9) other bump:2.06866 Ang C(14) at 53.032 11.267 6.997 in (null):A-9999 (2) and CZ(70) at 53.1792 9.26234 7.48592 in (null):R-9999 (9) other bump:1.72622 Ang CA(16) at 51.465 9.446 7.398 in (null):V-9999 (3) and CZ(70) at 53.1792 9.26234 7.48592 in (null):R-9999 (9) other bump:1.48223 Ang O(20) at 52.271 7.805 5.838 in (null):V-9999 (3) and NE(69) at 53.4226 8.57208 6.36933 in (null):R-9999 (9) other bump:1.36718 Ang C(21) at 52.265 8.208 6.999 in (null):V-9999 (3) and NE(69) at 53.4226 8.57208 6.36933 in (null):R-9999 (9) other bump:1.86335 Ang N(22) at 53.016 7.578 7.892 in (null):D-9999 (4) and NE(69) at 53.4226 8.57208 6.36933 in (null):R-9999 (9) other bump:2.48918 Ang CA(23) at 53.837 6.428 7.564 in (null):D-9999 (4) and NE(69) at 53.4226 8.57208 6.36933 in (null):R-9999 (9) other bump:2.32734 Ang N(15) at 52.077 10.46 6.573 in (null):V-9999 (3) and NE(69) at 53.4226 8.57208 6.36933 in (null):R-9999 (9) other bump:2.79449 Ang C(14) at 53.032 11.267 6.997 in (null):A-9999 (2) and NE(69) at 53.4226 8.57208 6.36933 in (null):R-9999 (9) other bump:2.37787 Ang CA(16) at 51.465 9.446 7.398 in (null):V-9999 (3) and NE(69) at 53.4226 8.57208 6.36933 in (null):R-9999 (9) other bump:2.51139 Ang O(20) at 52.271 7.805 5.838 in (null):V-9999 (3) and CD(68) at 54.4993 8.88486 5.4187 in (null):R-9999 (9) other bump:2.81911 Ang C(21) at 52.265 8.208 6.999 in (null):V-9999 (3) and CD(68) at 54.4993 8.88486 5.4187 in (null):R-9999 (9) other bump:2.40368 Ang CB(12) at 54.7586 11.2696 5.26531 in (null):A-9999 (2) and CD(68) at 54.4993 8.88486 5.4187 in (null):R-9999 (9) other bump:2.91199 Ang CA(11) at 53.583 12.167 5.919 in (null):A-9999 (2) and CG(67) at 54.1143 9.81872 4.28103 in (null):R-9999 (9) other bump:3.13291 Ang N(15) at 52.077 10.46 6.573 in (null):V-9999 (3) and CG(67) at 54.1143 9.81872 4.28103 in (null):R-9999 (9) other bump:3.26274 Ang C(14) at 53.032 11.267 6.997 in (null):A-9999 (2) and CG(67) at 54.1143 9.81872 4.28103 in (null):R-9999 (9) other bump:1.86784 Ang CB(12) at 54.7586 11.2696 5.26531 in (null):A-9999 (2) and CG(67) at 54.1143 9.81872 4.28103 in (null):R-9999 (9) other bump:2.0348 Ang O(20) at 52.271 7.805 5.838 in (null):V-9999 (3) and CD(45) at 52.2595 5.93161 5.04384 in (null):P-9999 (6) other bump:3.00077 Ang C(21) at 52.265 8.208 6.999 in (null):V-9999 (3) and CD(45) at 52.2595 5.93161 5.04384 in (null):P-9999 (6) other bump:3.01431 Ang CA(23) at 53.837 6.428 7.564 in (null):D-9999 (4) and CD(45) at 52.2595 5.93161 5.04384 in (null):P-9999 (6) other bump:2.13675 Ang O(20) at 52.271 7.805 5.838 in (null):V-9999 (3) and CG(44) at 51.3514 6.80769 4.18712 in (null):P-9999 (6) other bump:3.27142 Ang C(21) at 52.265 8.208 6.999 in (null):V-9999 (3) and CG(44) at 51.3514 6.80769 4.18712 in (null):P-9999 (6) neighbor-bump: 2.26318 Ang OD1(26) at 55.9417 4.70358 7.97658 in (null):D-9999 (4) and CE1(36) at 57.8447 3.76224 7.1926 in (null):F-9999 (5) neighbor-bump: 1.90829 Ang OD1(26) at 55.9417 4.70358 7.97658 in (null):D-9999 (4) and CD1(34) at 56.6309 3.68989 6.51406 in (null):F-9999 (5) neighbor-bump: 2.50997 Ang OD1(26) at 55.9417 4.70358 7.97658 in (null):D-9999 (4) and CG(33) at 55.7987 2.56369 6.6726 in (null):F-9999 (5) Number of specific fragments= 1 total=3500 # 1lam.455.457 read from T0147_twice.t2k.frag # found chain 1lam in template set T0147_twice 455 :DAVDFPPER 1lam 458 :DEVPYLRKG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.67442 Ang C(63) at 44.656 56.302 20.659 in (null):E-9999 (8) and CB(66) at 45.4865 56.7276 18.1527 in (null):R-9999 (9) other bump:2.62016 Ang O(20) at 44.408 63.592 25.347 in (null):V-9999 (3) and CD(45) at 44.0869 64.8336 23.0621 in (null):P-9999 (6) other bump:3.17106 Ang C(21) at 44.804 64.457 26.128 in (null):V-9999 (3) and CD(45) at 44.0869 64.8336 23.0621 in (null):P-9999 (6) other bump:2.90436 Ang CG1(18) at 46.334 66.292 24.184 in (null):V-9999 (3) and CD(45) at 44.0869 64.8336 23.0621 in (null):P-9999 (6) other bump:3.14643 Ang CG1(18) at 46.334 66.292 24.184 in (null):V-9999 (3) and CG(44) at 44.9429 64.7967 21.7905 in (null):P-9999 (6) Number of specific fragments= 1 total=3501 # 1mhyD.456.459 read from T0147_twice.t2k.frag # found chain 1mhyD in template set T0147_twice 456 :AVDFPPERI 1mhyD 465 :ECHNVFEQY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70557 Ang CG(25) at -50.6586 97.1251 35.8677 in (null):F-9999 (4) and CD(44) at -52.2354 98.9826 34.6913 in (null):P-9999 (6) other bump:1.9106 Ang CE2(29) at -52.9568 97.2736 35.1492 in (null):F-9999 (4) and CD(44) at -52.2354 98.9826 34.6913 in (null):P-9999 (6) other bump:1.48847 Ang CD2(27) at -51.7898 97.8782 35.5843 in (null):F-9999 (4) and CD(44) at -52.2354 98.9826 34.6913 in (null):P-9999 (6) other bump:2.18286 Ang CE2(29) at -52.9568 97.2736 35.1492 in (null):F-9999 (4) and CG(43) at -53.5153 99.3677 35.4095 in (null):P-9999 (6) other bump:2.28615 Ang CD2(27) at -51.7898 97.8782 35.5843 in (null):F-9999 (4) and CG(43) at -53.5153 99.3677 35.4095 in (null):P-9999 (6) other bump:2.76662 Ang CD2(27) at -51.7898 97.8782 35.5843 in (null):F-9999 (4) and N(40) at -51.728 100.278 34.209 in (null):P-9999 (6) Number of specific fragments= 1 total=3502 # 1jcrB.456.391 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 456 :AVDFPPERI 1jcrB 392 :NVLQPTHPV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3503 # 1d8dB.456.391 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 456 :AVDFPPERI 1d8dB 392 :NVLQPTHPV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3504 # 1ft1B.456.391 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 456 :AVDFPPERI 1ft1B 392 :NVLQPTHPV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3505 # 1aogA.456.456 read from T0147_twice.t2k.frag # found chain 1aogA in template set T0147_twice 456 :AVDFPPERI 1aogA 459 :GVHPTSAEE Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41017 Ang CB(4) at 54.5442 11.3822 5.01868 in (null):A-9999 (1) and NE(61) at 55.9698 9.68838 5.97147 in (null):R-9999 (8) other bump:2.45157 Ang CB(4) at 54.5442 11.3822 5.01868 in (null):A-9999 (1) and CD(60) at 55.0188 8.97918 5.12078 in (null):R-9999 (8) other bump:1.95994 Ang CB(4) at 54.5442 11.3822 5.01868 in (null):A-9999 (1) and CG(59) at 54.6551 9.79072 3.88016 in (null):R-9999 (8) other bump:3.14038 Ang CB(4) at 54.5442 11.3822 5.01868 in (null):A-9999 (1) and CB(58) at 53.5629 9.09591 3.10247 in (null):R-9999 (8) other bump:2.0348 Ang O(12) at 52.271 7.805 5.838 in (null):V-9999 (2) and CD(37) at 52.2595 5.93161 5.04384 in (null):P-9999 (5) other bump:3.00077 Ang C(13) at 52.265 8.208 6.999 in (null):V-9999 (2) and CD(37) at 52.2595 5.93161 5.04384 in (null):P-9999 (5) other bump:3.01431 Ang CA(15) at 53.837 6.428 7.564 in (null):D-9999 (3) and CD(37) at 52.2595 5.93161 5.04384 in (null):P-9999 (5) other bump:2.13675 Ang O(12) at 52.271 7.805 5.838 in (null):V-9999 (2) and CG(36) at 51.3514 6.80769 4.18712 in (null):P-9999 (5) other bump:3.27142 Ang C(13) at 52.265 8.208 6.999 in (null):V-9999 (2) and CG(36) at 51.3514 6.80769 4.18712 in (null):P-9999 (5) neighbor-bump: 2.26318 Ang OD1(18) at 55.9417 4.70358 7.97658 in (null):D-9999 (3) and CE1(28) at 57.8447 3.76224 7.1926 in (null):F-9999 (4) neighbor-bump: 1.90829 Ang OD1(18) at 55.9417 4.70358 7.97658 in (null):D-9999 (3) and CD1(26) at 56.6309 3.68989 6.51406 in (null):F-9999 (4) neighbor-bump: 2.50997 Ang OD1(18) at 55.9417 4.70358 7.97658 in (null):D-9999 (3) and CG(25) at 55.7987 2.56369 6.6726 in (null):F-9999 (4) Number of specific fragments= 1 total=3506 # 1lam.456.458 read from T0147_twice.t2k.frag # found chain 1lam in template set T0147_twice 456 :AVDFPPERI 1lam 459 :EVPYLRKGM Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.79548 Ang O(54) at 43.909 55.925 19.751 in (null):E-9999 (7) and CG(59) at 44.2292 56.3273 18.0307 in (null):R-9999 (8) neighbor-bump: 2.66283 Ang C(55) at 44.656 56.302 20.659 in (null):E-9999 (7) and CG(59) at 44.2292 56.3273 18.0307 in (null):R-9999 (8) other bump:2.62016 Ang O(12) at 44.408 63.592 25.347 in (null):V-9999 (2) and CD(37) at 44.0869 64.8336 23.0621 in (null):P-9999 (5) other bump:3.17106 Ang C(13) at 44.804 64.457 26.128 in (null):V-9999 (2) and CD(37) at 44.0869 64.8336 23.0621 in (null):P-9999 (5) other bump:2.90436 Ang CG1(10) at 46.334 66.292 24.184 in (null):V-9999 (2) and CD(37) at 44.0869 64.8336 23.0621 in (null):P-9999 (5) other bump:3.14643 Ang CG1(10) at 46.334 66.292 24.184 in (null):V-9999 (2) and CG(36) at 44.9429 64.7967 21.7905 in (null):P-9999 (5) Number of specific fragments= 1 total=3507 # 1mhyD.457.460 read from T0147_twice.t2k.frag # found chain 1mhyD in template set T0147_twice 457 :VDFPPERIL 1mhyD 466 :CHNVFEQYE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.09434 Ang O(40) at -51.609 103.639 35.287 in (null):P-9999 (5) and CG(73) at -52.1627 105.234 36.5263 in (null):L-9999 (9) other bump:3.13251 Ang C(41) at -51.421 102.405 35.404 in (null):P-9999 (5) and CG(73) at -52.1627 105.234 36.5263 in (null):L-9999 (9) other bump:2.70557 Ang CG(20) at -50.6586 97.1251 35.8677 in (null):F-9999 (3) and CD(39) at -52.2354 98.9826 34.6913 in (null):P-9999 (5) other bump:1.9106 Ang CE2(24) at -52.9568 97.2736 35.1492 in (null):F-9999 (3) and CD(39) at -52.2354 98.9826 34.6913 in (null):P-9999 (5) other bump:1.48847 Ang CD2(22) at -51.7898 97.8782 35.5843 in (null):F-9999 (3) and CD(39) at -52.2354 98.9826 34.6913 in (null):P-9999 (5) other bump:2.18285 Ang CE2(24) at -52.9568 97.2736 35.1492 in (null):F-9999 (3) and CG(38) at -53.5153 99.3677 35.4095 in (null):P-9999 (5) other bump:2.28615 Ang CD2(22) at -51.7898 97.8782 35.5843 in (null):F-9999 (3) and CG(38) at -53.5153 99.3677 35.4095 in (null):P-9999 (5) other bump:2.76663 Ang CD2(22) at -51.7898 97.8782 35.5843 in (null):F-9999 (3) and N(35) at -51.728 100.278 34.209 in (null):P-9999 (5) Number of specific fragments= 1 total=3508 # 1jcrB.457.392 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 457 :VDFPPERIL 1jcrB 393 :VLQPTHPVY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92352 Ang CD(46) at 87.2691 35.9719 25.6809 in (null):E-9999 (6) and CD1(74) at 87.858 35.426 28.492 in (null):L-9999 (9) other bump:2.01302 Ang OE1(47) at 87.3303 36.397 26.8094 in (null):E-9999 (6) and CD1(74) at 87.858 35.426 28.492 in (null):L-9999 (9) Number of specific fragments= 1 total=3509 # 1d8dB.457.392 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 457 :VDFPPERIL 1d8dB 393 :VLQPTHPVY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9107 Ang CD(46) at 87.1272 35.9648 25.6113 in (null):E-9999 (6) and CD1(74) at 87.7 35.407 28.41 in (null):L-9999 (9) other bump:2.00688 Ang OE1(47) at 87.1898 36.3934 26.7384 in (null):E-9999 (6) and CD1(74) at 87.7 35.407 28.41 in (null):L-9999 (9) Number of specific fragments= 1 total=3510 # 1ft1B.457.392 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 457 :VDFPPERIL 1ft1B 393 :VLQPTHPVY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62137 Ang CD(46) at 48.6855 57.9035 60.6752 in (null):E-9999 (6) and CD2(75) at 48.147 59.312 58.531 in (null):L-9999 (9) other bump:1.5783 Ang OE1(47) at 48.724 58.2163 59.5096 in (null):E-9999 (6) and CD2(75) at 48.147 59.312 58.531 in (null):L-9999 (9) Number of specific fragments= 1 total=3511 # 1aogA.457.457 read from T0147_twice.t2k.frag # found chain 1aogA in template set T0147_twice 457 :VDFPPERIL 1aogA 460 :VHPTSAEEL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.0348 Ang O(7) at 52.271 7.805 5.838 in (null):V-9999 (1) and CD(32) at 52.2595 5.93161 5.04384 in (null):P-9999 (4) other bump:3.00077 Ang C(8) at 52.265 8.208 6.999 in (null):V-9999 (1) and CD(32) at 52.2595 5.93161 5.04384 in (null):P-9999 (4) other bump:3.01431 Ang CA(10) at 53.837 6.428 7.564 in (null):D-9999 (2) and CD(32) at 52.2595 5.93161 5.04384 in (null):P-9999 (4) other bump:2.13675 Ang O(7) at 52.271 7.805 5.838 in (null):V-9999 (1) and CG(31) at 51.3514 6.80769 4.18712 in (null):P-9999 (4) other bump:3.27142 Ang C(8) at 52.265 8.208 6.999 in (null):V-9999 (1) and CG(31) at 51.3514 6.80769 4.18712 in (null):P-9999 (4) neighbor-bump: 2.26318 Ang OD1(13) at 55.9417 4.70358 7.97658 in (null):D-9999 (2) and CE1(23) at 57.8447 3.76224 7.1926 in (null):F-9999 (3) neighbor-bump: 1.90829 Ang OD1(13) at 55.9417 4.70358 7.97658 in (null):D-9999 (2) and CD1(21) at 56.6309 3.68989 6.51406 in (null):F-9999 (3) neighbor-bump: 2.50997 Ang OD1(13) at 55.9417 4.70358 7.97658 in (null):D-9999 (2) and CG(20) at 55.7987 2.56369 6.6726 in (null):F-9999 (3) Number of specific fragments= 1 total=3512 # 1lam.457.459 read from T0147_twice.t2k.frag # found chain 1lam in template set T0147_twice 457 :VDFPPERIL 1lam 460 :VPYLRKGMA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.79548 Ang O(49) at 43.909 55.925 19.751 in (null):E-9999 (6) and CG(54) at 44.2292 56.3273 18.0307 in (null):R-9999 (7) neighbor-bump: 2.66283 Ang C(50) at 44.656 56.302 20.659 in (null):E-9999 (6) and CG(54) at 44.2292 56.3273 18.0307 in (null):R-9999 (7) other bump:2.62016 Ang O(7) at 44.408 63.592 25.347 in (null):V-9999 (1) and CD(32) at 44.0869 64.8336 23.0621 in (null):P-9999 (4) other bump:3.17106 Ang C(8) at 44.804 64.457 26.128 in (null):V-9999 (1) and CD(32) at 44.0869 64.8336 23.0621 in (null):P-9999 (4) other bump:2.90436 Ang CG1(5) at 46.334 66.292 24.184 in (null):V-9999 (1) and CD(32) at 44.0869 64.8336 23.0621 in (null):P-9999 (4) other bump:3.14643 Ang CG1(5) at 46.334 66.292 24.184 in (null):V-9999 (1) and CG(31) at 44.9429 64.7967 21.7905 in (null):P-9999 (4) Number of specific fragments= 1 total=3513 # 1mhyD.458.461 read from T0147_twice.t2k.frag # found chain 1mhyD in template set T0147_twice 458 :DFPPERILN 1mhyD 467 :HNVFEQYEG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.1325 Ang C(34) at -51.421 102.405 35.404 in (null):P-9999 (4) and CG(66) at -52.1627 105.234 36.5262 in (null):L-9999 (8) other bump:2.09433 Ang O(33) at -51.609 103.639 35.287 in (null):P-9999 (4) and CG(66) at -52.1627 105.234 36.5262 in (null):L-9999 (8) other bump:1.48845 Ang CD2(15) at -51.7898 97.8782 35.5843 in (null):F-9999 (2) and CD(32) at -52.2354 98.9826 34.6913 in (null):P-9999 (4) other bump:1.91059 Ang CE2(17) at -52.9568 97.2736 35.1492 in (null):F-9999 (2) and CD(32) at -52.2354 98.9826 34.6913 in (null):P-9999 (4) other bump:2.70556 Ang CG(13) at -50.6586 97.1251 35.8677 in (null):F-9999 (2) and CD(32) at -52.2354 98.9826 34.6913 in (null):P-9999 (4) other bump:2.28614 Ang CD2(15) at -51.7898 97.8782 35.5843 in (null):F-9999 (2) and CG(31) at -53.5153 99.3677 35.4095 in (null):P-9999 (4) other bump:2.18284 Ang CE2(17) at -52.9568 97.2736 35.1492 in (null):F-9999 (2) and CG(31) at -53.5153 99.3677 35.4095 in (null):P-9999 (4) other bump:2.76661 Ang CD2(15) at -51.7898 97.8782 35.5843 in (null):F-9999 (2) and N(28) at -51.728 100.278 34.209 in (null):P-9999 (4) Number of specific fragments= 1 total=3514 # 1jcrB.458.393 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 458 :DFPPERILN 1jcrB 394 :LQPTHPVYN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92352 Ang CD(39) at 87.2691 35.9719 25.6809 in (null):E-9999 (5) and CD1(67) at 87.858 35.426 28.492 in (null):L-9999 (8) other bump:2.01302 Ang OE1(40) at 87.3303 36.397 26.8094 in (null):E-9999 (5) and CD1(67) at 87.858 35.426 28.492 in (null):L-9999 (8) Number of specific fragments= 1 total=3515 # 1d8dB.458.393 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 458 :DFPPERILN 1d8dB 394 :LQPTHPVYN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9107 Ang CD(39) at 87.1272 35.9648 25.6113 in (null):E-9999 (5) and CD1(67) at 87.7 35.407 28.41 in (null):L-9999 (8) other bump:2.00688 Ang OE1(40) at 87.1898 36.3934 26.7384 in (null):E-9999 (5) and CD1(67) at 87.7 35.407 28.41 in (null):L-9999 (8) Number of specific fragments= 1 total=3516 # 1ft1B.458.393 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 458 :DFPPERILN 1ft1B 394 :LQPTHPVYN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62137 Ang CD(39) at 48.6855 57.9035 60.6752 in (null):E-9999 (5) and CD2(68) at 48.147 59.312 58.531 in (null):L-9999 (8) other bump:1.5783 Ang OE1(40) at 48.724 58.2163 59.5096 in (null):E-9999 (5) and CD2(68) at 48.147 59.312 58.531 in (null):L-9999 (8) Number of specific fragments= 1 total=3517 # 1aogA.458.458 read from T0147_twice.t2k.frag # found chain 1aogA in template set T0147_twice 458 :DFPPERILN 1aogA 461 :HPTSAEELC Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65016 Ang C(54) at 54.082 10.271 0.852 in (null):R-9999 (6) and OD1(76) at 55.2945 12.3435 1.97357 in (null):N-9999 (9) other bump:1.54676 Ang O(53) at 54.788 11.268 0.984 in (null):R-9999 (6) and OD1(76) at 55.2945 12.3435 1.97357 in (null):N-9999 (9) other bump:2.0348 Ang O(0) at 52.271 7.805 5.838 in (null):G-9999 (0) and CD(25) at 52.2595 5.93161 5.04384 in (null):P-9999 (3) other bump:3.00077 Ang C(1) at 52.265 8.208 6.999 in (null):G-9999 (0) and CD(25) at 52.2595 5.93161 5.04384 in (null):P-9999 (3) other bump:3.01431 Ang CA(3) at 53.837 6.428 7.564 in (null):D-9999 (1) and CD(25) at 52.2595 5.93161 5.04384 in (null):P-9999 (3) other bump:2.13675 Ang O(0) at 52.271 7.805 5.838 in (null):G-9999 (0) and CG(24) at 51.3514 6.80769 4.18712 in (null):P-9999 (3) other bump:3.27142 Ang C(1) at 52.265 8.208 6.999 in (null):G-9999 (0) and CG(24) at 51.3514 6.80769 4.18712 in (null):P-9999 (3) neighbor-bump: 2.26317 Ang OD1(6) at 55.9417 4.70358 7.97657 in (null):D-9999 (1) and CE1(16) at 57.8447 3.76224 7.1926 in (null):F-9999 (2) neighbor-bump: 1.90828 Ang OD1(6) at 55.9417 4.70358 7.97657 in (null):D-9999 (1) and CD1(14) at 56.6309 3.68989 6.51406 in (null):F-9999 (2) neighbor-bump: 2.50996 Ang OD1(6) at 55.9417 4.70358 7.97657 in (null):D-9999 (1) and CG(13) at 55.7987 2.56369 6.6726 in (null):F-9999 (2) Number of specific fragments= 1 total=3518 # 1lam.458.460 read from T0147_twice.t2k.frag # found chain 1lam in template set T0147_twice 458 :DFPPERILN 1lam 461 :PYLRKGMAG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.79548 Ang O(42) at 43.909 55.925 19.751 in (null):E-9999 (5) and CG(47) at 44.2292 56.3273 18.0307 in (null):R-9999 (6) neighbor-bump: 2.66283 Ang C(43) at 44.656 56.302 20.659 in (null):E-9999 (5) and CG(47) at 44.2292 56.3273 18.0307 in (null):R-9999 (6) other bump:2.62016 Ang O(0) at 44.408 63.592 25.347 in (null):G-9999 (0) and CD(25) at 44.0869 64.8336 23.0621 in (null):P-9999 (3) other bump:3.17106 Ang C(1) at 44.804 64.457 26.128 in (null):G-9999 (0) and CD(25) at 44.0869 64.8336 23.0621 in (null):P-9999 (3) Number of specific fragments= 1 total=3519 # 1mhyD.459.462 read from T0147_twice.t2k.frag # found chain 1mhyD in template set T0147_twice 459 :FPPERILNV 1mhyD 468 :NVFEQYEGR Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83377 Ang CG2(51) at -53.2355 103.982 29.9117 in (null):I-9999 (6) and CG1(74) at -53.3028 106.786 29.5071 in (null):V-9999 (9) other bump:2.17452 Ang O(53) at -53.008 106.512 31.644 in (null):I-9999 (6) and CG1(74) at -53.3028 106.786 29.5071 in (null):V-9999 (9) other bump:3.08276 Ang C(54) at -52.097 105.849 32.185 in (null):I-9999 (6) and CG1(74) at -53.3028 106.786 29.5071 in (null):V-9999 (9) other bump:2.09433 Ang O(25) at -51.609 103.639 35.287 in (null):P-9999 (3) and CG(58) at -52.1627 105.234 36.5262 in (null):L-9999 (7) other bump:3.1325 Ang C(26) at -51.421 102.405 35.404 in (null):P-9999 (3) and CG(58) at -52.1627 105.234 36.5262 in (null):L-9999 (7) other bump:2.93357 Ang CD1(6) at -48.9853 98.9369 38.0543 in (null):F-9999 (1) and OE2(33) at -47.641 100.417 40.201 in (null):E-9999 (4) other bump:2.24572 Ang CE1(8) at -49.3841 100.023 38.8411 in (null):F-9999 (1) and OE2(33) at -47.641 100.417 40.201 in (null):E-9999 (4) other bump:2.1416 Ang CD1(6) at -48.9853 98.9369 38.0543 in (null):F-9999 (1) and OE1(32) at -46.999 99.724 38.202 in (null):E-9999 (4) other bump:2.48727 Ang CE1(8) at -49.3841 100.023 38.8411 in (null):F-9999 (1) and OE1(32) at -46.999 99.724 38.202 in (null):E-9999 (4) other bump:2.94451 Ang CZ(10) at -50.5774 100.676 38.5643 in (null):F-9999 (1) and CD(31) at -47.663 100.496 38.944 in (null):E-9999 (4) other bump:2.22948 Ang CD1(6) at -48.9853 98.9369 38.0543 in (null):F-9999 (1) and CD(31) at -47.663 100.496 38.944 in (null):E-9999 (4) other bump:1.78798 Ang CE1(8) at -49.3841 100.023 38.8411 in (null):F-9999 (1) and CD(31) at -47.663 100.496 38.944 in (null):E-9999 (4) other bump:2.56885 Ang CD1(6) at -48.9853 98.9369 38.0543 in (null):F-9999 (1) and CG(30) at -48.647 101.469 38.325 in (null):E-9999 (4) other bump:1.70337 Ang CE1(8) at -49.3841 100.023 38.8411 in (null):F-9999 (1) and CG(30) at -48.647 101.469 38.325 in (null):E-9999 (4) other bump:2.98781 Ang CE1(8) at -49.3841 100.023 38.8411 in (null):F-9999 (1) and CB(29) at -48.149 102.109 37.095 in (null):E-9999 (4) other bump:2.94414 Ang CD2(7) at -50.9711 99.1583 36.7273 in (null):F-9999 (1) and N(27) at -50.296 101.905 35.91 in (null):E-9999 (4) other bump:2.54515 Ang CE2(9) at -51.3759 100.245 37.5086 in (null):F-9999 (1) and N(27) at -50.296 101.905 35.91 in (null):E-9999 (4) other bump:2.93862 Ang CZ(10) at -50.5774 100.676 38.5643 in (null):F-9999 (1) and N(27) at -50.296 101.905 35.91 in (null):E-9999 (4) other bump:3.01622 Ang CE2(9) at -51.3759 100.245 37.5086 in (null):F-9999 (1) and C(26) at -51.421 102.405 35.404 in (null):P-9999 (3) other bump:2.40303 Ang CD2(7) at -50.9711 99.1583 36.7273 in (null):F-9999 (1) and CD(24) at -52.2354 98.9825 34.6913 in (null):P-9999 (3) other bump:3.20457 Ang CE2(9) at -51.3759 100.245 37.5086 in (null):F-9999 (1) and CD(24) at -52.2354 98.9825 34.6913 in (null):P-9999 (3) other bump:2.85791 Ang CD2(7) at -50.9711 99.1583 36.7273 in (null):F-9999 (1) and CB(22) at -53.2306 100.731 35.9598 in (null):P-9999 (3) other bump:2.46475 Ang CE2(9) at -51.3759 100.245 37.5086 in (null):F-9999 (1) and CB(22) at -53.2306 100.731 35.9598 in (null):P-9999 (3) other bump:3.05495 Ang CE2(9) at -51.3759 100.245 37.5086 in (null):F-9999 (1) and CA(21) at -52.426 101.394 34.88 in (null):P-9999 (3) Number of specific fragments= 1 total=3520 # 1jcrB.459.394 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 459 :FPPERILNV 1jcrB 395 :QPTHPVYNI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92352 Ang CD(31) at 87.2691 35.9719 25.6809 in (null):E-9999 (4) and CD1(59) at 87.858 35.426 28.492 in (null):L-9999 (7) other bump:2.01302 Ang OE1(32) at 87.3303 36.397 26.8094 in (null):E-9999 (4) and CD1(59) at 87.858 35.426 28.492 in (null):L-9999 (7) Number of specific fragments= 1 total=3521 # 1ft1B.459.394 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 459 :FPPERILNV 1ft1B 395 :QPTHPVYNI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62137 Ang CD(31) at 48.6855 57.9035 60.6752 in (null):E-9999 (4) and CD2(60) at 48.147 59.312 58.531 in (null):L-9999 (7) other bump:1.5783 Ang OE1(32) at 48.724 58.2163 59.5096 in (null):E-9999 (4) and CD2(60) at 48.147 59.312 58.531 in (null):L-9999 (7) Number of specific fragments= 1 total=3522 # 1d8dB.459.394 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 459 :FPPERILNV 1d8dB 395 :QPTHPVYNI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9107 Ang CD(31) at 87.1272 35.9648 25.6113 in (null):E-9999 (4) and CD1(59) at 87.7 35.407 28.41 in (null):L-9999 (7) other bump:2.00688 Ang OE1(32) at 87.1898 36.3934 26.7384 in (null):E-9999 (4) and CD1(59) at 87.7 35.407 28.41 in (null):L-9999 (7) Number of specific fragments= 1 total=3523 # 1aogA.459.459 read from T0147_twice.t2k.frag # found chain 1aogA in template set T0147_twice 459 :FPPERILNV 1aogA 462 :PTSAEELCS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.19424 Ang CA(48) at 55.15 9.722 -1.278 in (null):I-9999 (6) and CG2(75) at 58.0938 10.9601 -1.21091 in (null):V-9999 (9) Number of specific fragments= 1 total=3524 # 1lam.459.461 read from T0147_twice.t2k.frag # found chain 1lam in template set T0147_twice 459 :FPPERILNV 1lam 462 :YLRKGMAGR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.16698 Ang CG1(74) at 53.4536 66.5425 20.3386 in (null):V-9999 (9) and CA(79) at 54.115 68.426 17.88 in (null):G-9999 (10) neighbor-bump: 1.79548 Ang O(34) at 43.909 55.925 19.751 in (null):E-9999 (4) and CG(39) at 44.2292 56.3273 18.0307 in (null):R-9999 (5) neighbor-bump: 2.66283 Ang C(35) at 44.656 56.302 20.659 in (null):E-9999 (4) and CG(39) at 44.2292 56.3273 18.0307 in (null):R-9999 (5) Number of specific fragments= 1 total=3525 # 1mhyD.460.463 read from T0147_twice.t2k.frag # found chain 1mhyD in template set T0147_twice 460 :PPERILNVS 1mhyD 469 :VFEQYEGRE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83377 Ang CG2(40) at -53.2355 103.982 29.9117 in (null):I-9999 (5) and CG1(63) at -53.3028 106.786 29.5071 in (null):V-9999 (8) other bump:2.17452 Ang O(42) at -53.008 106.512 31.644 in (null):I-9999 (5) and CG1(63) at -53.3028 106.786 29.5071 in (null):V-9999 (8) other bump:3.08275 Ang C(43) at -52.097 105.849 32.185 in (null):I-9999 (5) and CG1(63) at -53.3028 106.786 29.5071 in (null):V-9999 (8) other bump:2.09433 Ang O(14) at -51.609 103.639 35.287 in (null):P-9999 (2) and CG(47) at -52.1627 105.234 36.5262 in (null):L-9999 (6) other bump:3.1325 Ang C(15) at -51.421 102.405 35.404 in (null):P-9999 (2) and CG(47) at -52.1627 105.234 36.5262 in (null):L-9999 (6) Number of specific fragments= 1 total=3526 # 1jcrB.460.395 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 460 :PPERILNVS 1jcrB 396 :PTHPVYNIG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92352 Ang CD(20) at 87.2691 35.9719 25.6809 in (null):E-9999 (3) and CD1(48) at 87.858 35.426 28.492 in (null):L-9999 (6) other bump:2.01302 Ang OE1(21) at 87.3303 36.397 26.8094 in (null):E-9999 (3) and CD1(48) at 87.858 35.426 28.492 in (null):L-9999 (6) Number of specific fragments= 1 total=3527 # 1ft1B.460.395 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 460 :PPERILNVS 1ft1B 396 :PTHPVYNIG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62137 Ang CD(20) at 48.6855 57.9035 60.6752 in (null):E-9999 (3) and CD2(49) at 48.147 59.312 58.531 in (null):L-9999 (6) other bump:1.5783 Ang OE1(21) at 48.724 58.2163 59.5096 in (null):E-9999 (3) and CD2(49) at 48.147 59.312 58.531 in (null):L-9999 (6) Number of specific fragments= 1 total=3528 # 1d8dB.460.395 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 460 :PPERILNVS 1d8dB 396 :PTHPVYNIG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9107 Ang CD(20) at 87.1272 35.9648 25.6113 in (null):E-9999 (3) and CD1(48) at 87.7 35.407 28.41 in (null):L-9999 (6) other bump:2.00688 Ang OE1(21) at 87.1898 36.3934 26.7384 in (null):E-9999 (3) and CD1(48) at 87.7 35.407 28.41 in (null):L-9999 (6) Number of specific fragments= 1 total=3529 # 1aogA.460.460 read from T0147_twice.t2k.frag # found chain 1aogA in template set T0147_twice 460 :PPERILNVS 1aogA 463 :TSAEELCSM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.10286 Ang C(1) at 52.387 3.746 5.193 in (null):G-9999 (0) and CD(6) at 52.286 5.84554 5.13202 in (null):P-9999 (1) Number of specific fragments= 1 total=3530 # 1lam.460.462 read from T0147_twice.t2k.frag # found chain 1lam in template set T0147_twice 460 :PPERILNVS 1lam 463 :LRKGMAGRP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.31176 Ang CG1(63) at 53.5531 66.3901 20.3939 in (null):V-9999 (8) and OG(70) at 55.0003 68.178 20.1633 in (null):S-9999 (9) neighbor-bump: 3.2833 Ang CG1(63) at 53.5531 66.3901 20.3939 in (null):V-9999 (8) and CA(68) at 54.115 68.426 17.88 in (null):S-9999 (9) neighbor-bump: 1.79548 Ang O(23) at 43.909 55.925 19.751 in (null):E-9999 (3) and CG(28) at 44.2292 56.3273 18.0307 in (null):R-9999 (4) neighbor-bump: 2.66283 Ang C(24) at 44.656 56.302 20.659 in (null):E-9999 (3) and CG(28) at 44.2292 56.3273 18.0307 in (null):R-9999 (4) Number of specific fragments= 1 total=3531 # 1jcrB.461.396 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 461 :PERILNVSP 1jcrB 397 :THPVYNIGP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92353 Ang CD(13) at 87.2691 35.9719 25.6809 in (null):E-9999 (2) and CD1(41) at 87.858 35.426 28.492 in (null):L-9999 (5) other bump:2.01303 Ang OE1(14) at 87.3303 36.397 26.8094 in (null):E-9999 (2) and CD1(41) at 87.858 35.426 28.492 in (null):L-9999 (5) Number of specific fragments= 1 total=3532 # 1ft1B.461.396 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 461 :PERILNVSP 1ft1B 397 :THPVYNIGP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62137 Ang CD(13) at 48.6855 57.9035 60.6752 in (null):E-9999 (2) and CD2(42) at 48.147 59.312 58.531 in (null):L-9999 (5) other bump:1.5783 Ang OE1(14) at 48.724 58.2163 59.5096 in (null):E-9999 (2) and CD2(42) at 48.147 59.312 58.531 in (null):L-9999 (5) Number of specific fragments= 1 total=3533 # 1d8dB.461.396 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 461 :PERILNVSP 1d8dB 397 :THPVYNIGP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91069 Ang CD(13) at 87.1272 35.9648 25.6113 in (null):E-9999 (2) and CD1(41) at 87.7 35.407 28.41 in (null):L-9999 (5) other bump:2.00686 Ang OE1(14) at 87.1898 36.3934 26.7384 in (null):E-9999 (2) and CD1(41) at 87.7 35.407 28.41 in (null):L-9999 (5) Number of specific fragments= 1 total=3534 # 1mhyD.461.464 read from T0147_twice.t2k.frag # found chain 1mhyD in template set T0147_twice 461 :PERILNVSP 1mhyD 470 :FEQYEGREL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83377 Ang CG2(33) at -53.2355 103.982 29.9117 in (null):I-9999 (4) and CG1(56) at -53.3028 106.786 29.5071 in (null):V-9999 (7) other bump:2.17452 Ang O(35) at -53.008 106.512 31.644 in (null):I-9999 (4) and CG1(56) at -53.3028 106.786 29.5071 in (null):V-9999 (7) other bump:3.08275 Ang C(36) at -52.097 105.849 32.185 in (null):I-9999 (4) and CG1(56) at -53.3028 106.786 29.5071 in (null):V-9999 (7) other bump:3.1325 Ang C(8) at -51.421 102.405 35.404 in (null):P-9999 (1) and CG(40) at -52.1627 105.234 36.5262 in (null):L-9999 (5) other bump:2.09433 Ang O(7) at -51.609 103.639 35.287 in (null):P-9999 (1) and CG(40) at -52.1627 105.234 36.5262 in (null):L-9999 (5) Number of specific fragments= 1 total=3535 # 1lam.461.463 read from T0147_twice.t2k.frag # found chain 1lam in template set T0147_twice 461 :PERILNVSP 1lam 464 :RKGMAGRPT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.71122 Ang O(51) at 51.336 65.982 15.591 in (null):N-9999 (6) and CD(70) at 52.223 67.445 15.6247 in (null):P-9999 (9) other bump:2.71951 Ang C(52) at 51.476 64.879 16.128 in (null):N-9999 (6) and CD(70) at 52.223 67.445 15.6247 in (null):P-9999 (9) other bump:2.95479 Ang CA(54) at 52.743 65.811 18.031 in (null):V-9999 (7) and CD(70) at 52.223 67.445 15.6247 in (null):P-9999 (9) other bump:2.0698 Ang O(51) at 51.336 65.982 15.591 in (null):N-9999 (6) and CG(69) at 51.1123 67.8375 14.7016 in (null):P-9999 (9) neighbor-bump: 2.31176 Ang CG1(56) at 53.5531 66.3901 20.3939 in (null):V-9999 (7) and OG(63) at 55.0003 68.178 20.1633 in (null):S-9999 (8) neighbor-bump: 3.2833 Ang CG1(56) at 53.5531 66.3901 20.3939 in (null):V-9999 (7) and CA(61) at 54.115 68.426 17.88 in (null):S-9999 (8) neighbor-bump: 1.79548 Ang O(16) at 43.909 55.925 19.751 in (null):E-9999 (2) and CG(21) at 44.2292 56.3273 18.0307 in (null):R-9999 (3) neighbor-bump: 2.66283 Ang C(17) at 44.656 56.302 20.659 in (null):E-9999 (2) and CG(21) at 44.2292 56.3273 18.0307 in (null):R-9999 (3) Number of specific fragments= 1 total=3536 # 1jp3A.461.220 read from T0147_twice.t2k.frag # adding 1jp3A to template set 1jp3A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # found chain 1jp3A in template set T0147_twice 461 :PERILNVSP 1jp3A 221 :WPDFDEQDF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09869 Ang C(52) at 28.388 24.382 61.992 in (null):N-9999 (6) and CD(70) at 28.7983 26.5467 59.8131 in (null):P-9999 (9) other bump:1.48117 Ang O(43) at 29.48 26.857 61.091 in (null):L-9999 (5) and CD(70) at 28.7983 26.5467 59.8131 in (null):P-9999 (9) other bump:2.7053 Ang C(44) at 30.141 26.791 62.149 in (null):L-9999 (5) and CD(70) at 28.7983 26.5467 59.8131 in (null):P-9999 (9) other bump:2.35586 Ang O(43) at 29.48 26.857 61.091 in (null):L-9999 (5) and CG(69) at 29.9394 26.1908 58.8785 in (null):P-9999 (9) Number of specific fragments= 1 total=3537 # 1jcrB.462.397 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 462 :ERILNVSPR 1jcrB 398 :HPVYNIGPD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92352 Ang CD(6) at 87.2691 35.9719 25.6809 in (null):E-9999 (1) and CD1(34) at 87.858 35.426 28.492 in (null):L-9999 (4) other bump:2.01302 Ang OE1(7) at 87.3303 36.397 26.8094 in (null):E-9999 (1) and CD1(34) at 87.858 35.426 28.492 in (null):L-9999 (4) Number of specific fragments= 1 total=3538 # 1ft1B.462.397 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 462 :ERILNVSPR 1ft1B 398 :HPVYNIGPD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62138 Ang CD(6) at 48.6855 57.9035 60.6752 in (null):E-9999 (1) and CD2(35) at 48.147 59.312 58.531 in (null):L-9999 (4) other bump:1.5783 Ang OE1(7) at 48.724 58.2163 59.5096 in (null):E-9999 (1) and CD2(35) at 48.147 59.312 58.531 in (null):L-9999 (4) Number of specific fragments= 1 total=3539 # 1d8dB.462.397 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 462 :ERILNVSPR 1d8dB 398 :HPVYNIGPD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9107 Ang CD(6) at 87.1272 35.9648 25.6113 in (null):E-9999 (1) and CD1(34) at 87.7 35.407 28.41 in (null):L-9999 (4) other bump:2.00688 Ang OE1(7) at 87.1898 36.3934 26.7384 in (null):E-9999 (1) and CD1(34) at 87.7 35.407 28.41 in (null):L-9999 (4) Number of specific fragments= 1 total=3540 # 1mhyD.462.465 read from T0147_twice.t2k.frag # found chain 1mhyD in template set T0147_twice 462 :ERILNVSPR 1mhyD 471 :EQYEGRELS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83377 Ang CG2(26) at -53.2355 103.982 29.9117 in (null):I-9999 (3) and CG1(49) at -53.3028 106.786 29.5071 in (null):V-9999 (6) other bump:2.17452 Ang O(28) at -53.008 106.512 31.644 in (null):I-9999 (3) and CG1(49) at -53.3028 106.786 29.5071 in (null):V-9999 (6) other bump:3.08275 Ang C(29) at -52.097 105.849 32.185 in (null):I-9999 (3) and CG1(49) at -53.3028 106.786 29.5071 in (null):V-9999 (6) other bump:3.1325 Ang C(1) at -51.421 102.405 35.404 in (null):G-9999 (0) and CG(33) at -52.1627 105.234 36.5262 in (null):L-9999 (4) other bump:2.09433 Ang O(0) at -51.609 103.639 35.287 in (null):G-9999 (0) and CG(33) at -52.1627 105.234 36.5262 in (null):L-9999 (4) Number of specific fragments= 1 total=3541 # 1jp3A.462.221 read from T0147_twice.t2k.frag # found chain 1jp3A in template set T0147_twice 462 :ERILNVSPR 1jp3A 222 :PDFDEQDFE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.48117 Ang O(36) at 29.48 26.857 61.091 in (null):L-9999 (4) and CD(63) at 28.7983 26.5467 59.8131 in (null):P-9999 (8) other bump:3.09869 Ang C(45) at 28.388 24.382 61.992 in (null):N-9999 (5) and CD(63) at 28.7983 26.5467 59.8131 in (null):P-9999 (8) other bump:2.7053 Ang C(37) at 30.141 26.791 62.149 in (null):L-9999 (4) and CD(63) at 28.7983 26.5467 59.8131 in (null):P-9999 (8) other bump:2.35585 Ang O(36) at 29.48 26.857 61.091 in (null):L-9999 (4) and CG(62) at 29.9394 26.1908 58.8785 in (null):P-9999 (8) Number of specific fragments= 1 total=3542 # 1lam.462.464 read from T0147_twice.t2k.frag # found chain 1lam in template set T0147_twice 462 :ERILNVSPR 1lam 465 :KGMAGRPTR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.71952 Ang C(45) at 51.476 64.879 16.128 in (null):N-9999 (5) and CD(63) at 52.223 67.445 15.6247 in (null):P-9999 (8) other bump:1.71123 Ang O(44) at 51.336 65.982 15.591 in (null):N-9999 (5) and CD(63) at 52.223 67.445 15.6247 in (null):P-9999 (8) other bump:2.9548 Ang CA(47) at 52.743 65.811 18.031 in (null):V-9999 (6) and CD(63) at 52.223 67.445 15.6247 in (null):P-9999 (8) other bump:2.0698 Ang O(44) at 51.336 65.982 15.591 in (null):N-9999 (5) and CG(62) at 51.1123 67.8375 14.7015 in (null):P-9999 (8) neighbor-bump: 2.31176 Ang CG1(49) at 53.5531 66.3901 20.3939 in (null):V-9999 (6) and OG(56) at 55.0003 68.178 20.1633 in (null):S-9999 (7) neighbor-bump: 3.2833 Ang CG1(49) at 53.5531 66.3901 20.3939 in (null):V-9999 (6) and CA(54) at 54.115 68.426 17.88 in (null):S-9999 (7) neighbor-bump: 1.79548 Ang O(9) at 43.909 55.925 19.751 in (null):E-9999 (1) and CG(14) at 44.2292 56.3273 18.0307 in (null):R-9999 (2) neighbor-bump: 2.66283 Ang C(10) at 44.656 56.302 20.659 in (null):E-9999 (1) and CG(14) at 44.2292 56.3273 18.0307 in (null):R-9999 (2) Number of specific fragments= 1 total=3543 # 1jcrB.463.398 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 463 :RILNVSPRR 1jcrB 399 :PVYNIGPDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3544 # 1ft1B.463.398 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 463 :RILNVSPRR 1ft1B 399 :PVYNIGPDK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87625 Ang OG(47) at 43.4715 56.9555 67.1705 in (null):S-9999 (6) and CG(71) at 41.1239 57.1862 65.5247 in (null):R-9999 (9) Number of specific fragments= 1 total=3545 # 1d8dB.463.398 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 463 :RILNVSPRR 1d8dB 399 :PVYNIGPDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3546 # 1jp3A.463.222 read from T0147_twice.t2k.frag # found chain 1jp3A in template set T0147_twice 463 :RILNVSPRR 1jp3A 223 :DFDEQDFEG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09869 Ang C(36) at 28.388 24.382 61.992 in (null):N-9999 (4) and CD(54) at 28.7983 26.5467 59.8131 in (null):P-9999 (7) other bump:1.48117 Ang O(27) at 29.48 26.857 61.091 in (null):L-9999 (3) and CD(54) at 28.7983 26.5467 59.8131 in (null):P-9999 (7) other bump:2.7053 Ang C(28) at 30.141 26.791 62.149 in (null):L-9999 (3) and CD(54) at 28.7983 26.5467 59.8131 in (null):P-9999 (7) other bump:2.35585 Ang O(27) at 29.48 26.857 61.091 in (null):L-9999 (3) and CG(53) at 29.9394 26.1908 58.8785 in (null):P-9999 (7) Number of specific fragments= 1 total=3547 # 1mhyD.463.466 read from T0147_twice.t2k.frag # found chain 1mhyD in template set T0147_twice 463 :RILNVSPRR 1mhyD 472 :QYEGRELSE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83378 Ang CG2(17) at -53.2355 103.982 29.9117 in (null):I-9999 (2) and CG1(40) at -53.3028 106.786 29.5071 in (null):V-9999 (5) other bump:2.17452 Ang O(19) at -53.008 106.512 31.644 in (null):I-9999 (2) and CG1(40) at -53.3028 106.786 29.5071 in (null):V-9999 (5) other bump:3.08275 Ang C(20) at -52.097 105.849 32.185 in (null):I-9999 (2) and CG1(40) at -53.3028 106.786 29.5071 in (null):V-9999 (5) Number of specific fragments= 1 total=3548 # 1lam.463.465 read from T0147_twice.t2k.frag # found chain 1lam in template set T0147_twice 463 :RILNVSPRR 1lam 466 :GMAGRPTRT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.71123 Ang O(35) at 51.336 65.982 15.591 in (null):N-9999 (4) and CD(54) at 52.223 67.445 15.6247 in (null):P-9999 (7) other bump:2.71952 Ang C(36) at 51.476 64.879 16.128 in (null):N-9999 (4) and CD(54) at 52.223 67.445 15.6247 in (null):P-9999 (7) other bump:2.9548 Ang CA(38) at 52.743 65.811 18.031 in (null):V-9999 (5) and CD(54) at 52.223 67.445 15.6247 in (null):P-9999 (7) other bump:2.0698 Ang O(35) at 51.336 65.982 15.591 in (null):N-9999 (4) and CG(53) at 51.1123 67.8375 14.7015 in (null):P-9999 (7) neighbor-bump: 2.31176 Ang CG1(40) at 53.5531 66.3901 20.3939 in (null):V-9999 (5) and OG(47) at 55.0003 68.178 20.1633 in (null):S-9999 (6) neighbor-bump: 3.2833 Ang CG1(40) at 53.5531 66.3901 20.3939 in (null):V-9999 (5) and CA(45) at 54.115 68.426 17.88 in (null):S-9999 (6) neighbor-bump: 1.94792 Ang O(0) at 43.909 55.925 19.751 in (null):G-9999 (0) and CG(5) at 44.2389 56.4436 17.9026 in (null):R-9999 (1) neighbor-bump: 2.79139 Ang C(1) at 44.656 56.302 20.659 in (null):G-9999 (0) and CG(5) at 44.2389 56.4436 17.9026 in (null):R-9999 (1) Number of specific fragments= 1 total=3549 # 1jcrB.464.399 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 464 :ILNVSPRRL 1jcrB 400 :VYNIGPDKV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.72678 Ang CG1(5) at 90.1618 36.8783 28.3554 in (null):I-9999 (1) and CD1(14) at 87.858 35.426 28.492 in (null):L-9999 (2) Number of specific fragments= 1 total=3550 # 1ft1B.464.399 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 464 :ILNVSPRRL 1ft1B 400 :VYNIGPDKV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.93223 Ang CG1(5) at 50.9731 60.0109 58.1807 in (null):I-9999 (1) and CD2(15) at 48.147 59.312 58.531 in (null):L-9999 (2) Number of specific fragments= 1 total=3551 # 1d8dB.464.399 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 464 :ILNVSPRRL 1d8dB 400 :VYNIGPDKV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.7063 Ang CG1(5) at 89.9907 36.8445 28.3089 in (null):I-9999 (1) and CD1(14) at 87.7 35.407 28.41 in (null):L-9999 (2) Number of specific fragments= 1 total=3552 # 1jp3A.464.223 read from T0147_twice.t2k.frag # found chain 1jp3A in template set T0147_twice 464 :ILNVSPRRL 1jp3A 224 :FDEQDFEGA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09869 Ang C(25) at 28.388 24.382 61.992 in (null):N-9999 (3) and CD(43) at 28.7983 26.5467 59.8131 in (null):P-9999 (6) other bump:1.48117 Ang O(16) at 29.48 26.857 61.091 in (null):L-9999 (2) and CD(43) at 28.7983 26.5467 59.8131 in (null):P-9999 (6) other bump:2.7053 Ang C(17) at 30.141 26.791 62.149 in (null):L-9999 (2) and CD(43) at 28.7983 26.5467 59.8131 in (null):P-9999 (6) other bump:2.35586 Ang O(16) at 29.48 26.857 61.091 in (null):L-9999 (2) and CG(42) at 29.9394 26.1908 58.8785 in (null):P-9999 (6) Number of specific fragments= 1 total=3553 # 1mhyD.464.467 read from T0147_twice.t2k.frag # found chain 1mhyD in template set T0147_twice 464 :ILNVSPRRL 1mhyD 473 :YEGRELSEV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94133 Ang CD1(7) at -50.5227 103.678 28.5698 in (null):I-9999 (1) and CD2(73) at -52.5465 102.646 26.7017 in (null):L-9999 (9) other bump:2.52906 Ang CD1(7) at -50.5227 103.678 28.5698 in (null):I-9999 (1) and CD1(72) at -50.4823 103.889 26.0499 in (null):L-9999 (9) other bump:2.83379 Ang CG2(6) at -53.2355 103.982 29.9117 in (null):I-9999 (1) and CG1(29) at -53.3028 106.786 29.5071 in (null):V-9999 (4) other bump:2.17452 Ang O(8) at -53.008 106.512 31.644 in (null):I-9999 (1) and CG1(29) at -53.3028 106.786 29.5071 in (null):V-9999 (4) other bump:3.08275 Ang C(9) at -52.097 105.849 32.185 in (null):I-9999 (1) and CG1(29) at -53.3028 106.786 29.5071 in (null):V-9999 (4) Number of specific fragments= 1 total=3554 # 1i60A.464.251 read from T0147_twice.t2k.frag # found chain 1i60A in template set T0147_twice 464 :ILNVSPRRL 1i60A 252 :YYKLTAEEA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2677 Ang CG2(6) at 15.349 20.6719 41.2308 in (null):I-9999 (1) and CD1(72) at 14.788 22.5547 40.0982 in (null):L-9999 (9) other bump:2.78161 Ang CG2(30) at 19.2626 24.4983 42.2525 in (null):V-9999 (4) and CB(59) at 20.552 26.4908 40.8017 in (null):R-9999 (8) other bump:2.01849 Ang O(8) at 16.398 21.685 43.922 in (null):I-9999 (1) and CG1(29) at 17.233 23.4219 43.3216 in (null):V-9999 (4) Number of specific fragments= 1 total=3555 # 1jcrB.465.400 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 465 :LNVSPRRLL 1jcrB 401 :YNIGPDKVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3556 # 1ft1B.465.400 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 465 :LNVSPRRLL 1ft1B 401 :YNIGPDKVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3557 # 1d8dB.465.400 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 465 :LNVSPRRLL 1d8dB 401 :YNIGPDKVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3558 # 1i60A.465.252 read from T0147_twice.t2k.frag # found chain 1i60A in template set T0147_twice 465 :LNVSPRRLL 1i60A 253 :YKLTAEEAI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78161 Ang CG2(22) at 19.2626 24.4983 42.2525 in (null):V-9999 (3) and CB(51) at 20.552 26.4908 40.8017 in (null):R-9999 (7) other bump:2.01849 Ang O(0) at 16.398 21.685 43.922 in (null):G-9999 (0) and CG1(21) at 17.233 23.4219 43.3216 in (null):V-9999 (3) Number of specific fragments= 1 total=3559 # 1mhyD.465.468 read from T0147_twice.t2k.frag # found chain 1mhyD in template set T0147_twice 465 :LNVSPRRLL 1mhyD 474 :EGRELSEVI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17452 Ang O(0) at -53.008 106.512 31.644 in (null):G-9999 (0) and CG1(21) at -53.3028 106.786 29.5071 in (null):V-9999 (3) other bump:3.08275 Ang C(1) at -52.097 105.849 32.185 in (null):G-9999 (0) and CG1(21) at -53.3028 106.786 29.5071 in (null):V-9999 (3) Number of specific fragments= 1 total=3560 # 1jp3A.465.224 read from T0147_twice.t2k.frag # found chain 1jp3A in template set T0147_twice 465 :LNVSPRRLL 1jp3A 225 :DEQDFEGAL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09869 Ang C(17) at 28.388 24.382 61.992 in (null):N-9999 (2) and CD(35) at 28.7983 26.5467 59.8131 in (null):P-9999 (5) other bump:1.48117 Ang O(8) at 29.48 26.857 61.091 in (null):L-9999 (1) and CD(35) at 28.7983 26.5467 59.8131 in (null):P-9999 (5) other bump:2.7053 Ang C(9) at 30.141 26.791 62.149 in (null):L-9999 (1) and CD(35) at 28.7983 26.5467 59.8131 in (null):P-9999 (5) other bump:2.35585 Ang O(8) at 29.48 26.857 61.091 in (null):L-9999 (1) and CG(34) at 29.9394 26.1908 58.8785 in (null):P-9999 (5) Number of specific fragments= 1 total=3561 # 1jcrB.466.401 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 466 :NVSPRRLLN 1jcrB 402 :NIGPDKVIQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3562 # 1ft1B.466.401 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 466 :NVSPRRLLN 1ft1B 402 :NIGPDKVIQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3563 # 1d8dB.466.401 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 466 :NVSPRRLLN 1d8dB 402 :NIGPDKVIQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3564 # 1mhyD.466.469 read from T0147_twice.t2k.frag # found chain 1mhyD in template set T0147_twice 466 :NVSPRRLLN 1mhyD 475 :GRELSEVIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3565 # 1i60A.466.253 read from T0147_twice.t2k.frag # found chain 1i60A in template set T0147_twice 466 :NVSPRRLLN 1i60A 254 :KLTAEEAIQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78161 Ang CG2(14) at 19.2626 24.4983 42.2525 in (null):V-9999 (2) and CB(43) at 20.552 26.4908 40.8017 in (null):R-9999 (6) Number of specific fragments= 1 total=3566 # 1thfD.466.230 read from T0147_twice.t2k.frag # adding 1thfD to template set 1thfD:Skipped atom 620, because occupancy 0.33 <= existing 0.330001 Skipped atom 621, because occupancy 0.33 <= existing 0.330001 Skipped atom 623, because occupancy 0.33 <= existing 0.330001 Skipped atom 624, because occupancy 0.33 <= existing 0.330001 Skipped atom 701, because occupancy 0.5 <= existing 0.500001 Skipped atom 772, because occupancy 0.5 <= existing 0.500001 Skipped atom 938, because occupancy 0.5 <= existing 0.500001 Skipped atom 1350, because occupancy 0.5 <= existing 0.500001 Skipped atom 1352, because occupancy 0.5 <= existing 0.500001 Skipped atom 1354, because occupancy 0.5 <= existing 0.500001 Skipped atom 1356, because occupancy 0.5 <= existing 0.500001 # found chain 1thfD in template set T0147_twice 466 :NVSPRRLLN 1thfD 231 :EIDVRELKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3567 # 1jcrB.467.402 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 467 :VSPRRLLNF 1jcrB 403 :IGPDKVIQA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3568 # 1ft1B.467.402 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 467 :VSPRRLLNF 1ft1B 403 :IGPDKVIQA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3569 # 1d8dB.467.402 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 467 :VSPRRLLNF 1d8dB 403 :IGPDKVIQA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3570 # 1thfD.467.231 read from T0147_twice.t2k.frag # found chain 1thfD in template set T0147_twice 467 :VSPRRLLNF 1thfD 232 :IDVRELKEY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3571 # 1bj4A.467.357 read from T0147_twice.t2k.frag # found chain 1bj4A in template set T0147_twice 467 :VSPRRLLNF 1bj4A 368 :TDGGRAEKV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36761 Ang N(15) at 50.444 40.543 168.739 in (null):P-9999 (3) and CD(19) at 49.9486 41.689 168.181 in (null):P-9999 (3) Number of specific fragments= 1 total=3572 # 1i60A.467.254 read from T0147_twice.t2k.frag # found chain 1i60A in template set T0147_twice 467 :VSPRRLLNF 1i60A 255 :LTAEEAIQT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55116 Ang O(42) at 18.667 25.781 38.219 in (null):R-9999 (5) and CD1(72) at 20.3829 23.9407 37.798 in (null):F-9999 (9) Number of specific fragments= 1 total=3573 # 1jcrB.468.403 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 468 :SPRRLLNFL 1jcrB 404 :GPDKVIQAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3574 # 1ft1B.468.403 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 468 :SPRRLLNFL 1ft1B 404 :GPDKVIQAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3575 # 1thfD.468.232 read from T0147_twice.t2k.frag # found chain 1thfD in template set T0147_twice 468 :SPRRLLNFL 1thfD 233 :DVRELKEYL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3576 # 1d8dB.468.403 read from T0147_twice.t2k.frag # found chain 1d8dB in template set T0147_twice 468 :SPRRLLNFL 1d8dB 404 :GPDKVIQAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3577 # 1bj4A.468.358 read from T0147_twice.t2k.frag # found chain 1bj4A in template set T0147_twice 468 :SPRRLLNFL 1bj4A 369 :DGGRAEKVL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3676 Ang N(8) at 50.444 40.543 168.739 in (null):P-9999 (2) and CD(12) at 49.9486 41.689 168.181 in (null):P-9999 (2) Number of specific fragments= 1 total=3578 # 1bjx.468.85 read from T0147_twice.t2k.frag # found chain 1bjx in template set T0147_twice 468 :SPRRLLNFL 1bjx 204 :TKENLLDFI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64153 Ang C(1) at 2.495 -12.155 1.55 in (null):G-9999 (0) and NH2(34) at 1.57458 -13.4788 3.64237 in (null):R-9999 (4) other bump:2.97364 Ang N(2) at 1.371 -12.083 0.892 in (null):S-9999 (1) and CZ(32) at 0.405823 -12.8119 3.60855 in (null):R-9999 (4) other bump:3.00564 Ang C(1) at 2.495 -12.155 1.55 in (null):G-9999 (0) and CZ(32) at 0.405823 -12.8119 3.60855 in (null):R-9999 (4) Number of specific fragments= 1 total=3579 # 1jcrB.469.404 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 469 :PRRLLNFLE 1jcrB 405 :PDKVIQATT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3580 # 1thfD.469.233 read from T0147_twice.t2k.frag # found chain 1thfD in template set T0147_twice 469 :PRRLLNFLE 1thfD 234 :VRELKEYLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3581 # 1ft1B.469.404 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 469 :PRRLLNFLE 1ft1B 405 :PDKVIQATT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3582 # 2bjxA.469.86 read from T0147_twice.t2k.frag # found chain 2bjxA in template set T0147_twice 469 :PRRLLNFLE 2bjxA 205 :KENLLDFIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3583 # 1bjx.469.86 read from T0147_twice.t2k.frag # found chain 1bjx in template set T0147_twice 469 :PRRLLNFLE 1bjx 205 :KENLLDFIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3584 # 1bj4A.469.359 read from T0147_twice.t2k.frag # found chain 1bj4A in template set T0147_twice 469 :PRRLLNFLE 1bj4A 370 :GGRAEKVLE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37489 Ang N(2) at 50.444 40.543 168.739 in (null):P-9999 (1) and CD(6) at 49.882 41.714 168.288 in (null):P-9999 (1) Number of specific fragments= 1 total=3585 # 1thfD.470.234 read from T0147_twice.t2k.frag # found chain 1thfD in template set T0147_twice 470 :RRLLNFLES 1thfD 235 :RELKEYLKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3586 # 2bjxA.470.87 read from T0147_twice.t2k.frag # found chain 2bjxA in template set T0147_twice 470 :RRLLNFLES 2bjxA 206 :ENLLDFIKH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3587 # 1bjx.470.87 read from T0147_twice.t2k.frag # found chain 1bjx in template set T0147_twice 470 :RRLLNFLES 1bjx 206 :ENLLDFIKH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3588 # 1jcrB.470.405 read from T0147_twice.t2k.frag # found chain 1jcrB in template set T0147_twice 470 :RRLLNFLES 1jcrB 406 :DKVIQATTH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.91088 Ang NE(7) at 80.1359 30.2354 18.2793 in (null):R-9999 (1) and NH1(20) at 79.023 28.9817 20.659 in (null):R-9999 (2) Number of specific fragments= 1 total=3589 # 1bj4A.470.360 read from T0147_twice.t2k.frag # found chain 1bj4A in template set T0147_twice 470 :RRLLNFLES 1bj4A 371 :GRAEKVLEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3590 # 1ft1B.470.405 read from T0147_twice.t2k.frag # found chain 1ft1B in template set T0147_twice 470 :RRLLNFLES 1ft1B 406 :DKVIQATTH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.84306 Ang NE(7) at 41.6914 54.1409 69.6545 in (null):R-9999 (1) and NH1(20) at 39.5493 54.8493 67.9245 in (null):R-9999 (2) Number of specific fragments= 1 total=3591 # 1thfD.471.235 read from T0147_twice.t2k.frag # found chain 1thfD in template set T0147_twice 471 :RLLNFLESR 1thfD 236 :ELKEYLKKH Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.44417 Ang CE1(43) at 31.924 12.047 6.231 in (null):F-9999 (5) and NH1(78) at 31.2501 11.072 7.05612 in (null):R-9999 (9) other bump:1.57856 Ang CZ(45) at 31.159 12.64 7.214 in (null):F-9999 (5) and NH1(78) at 31.2501 11.072 7.05612 in (null):R-9999 (9) other bump:2.93619 Ang CE2(44) at 30.87 13.982 7.149 in (null):F-9999 (5) and NH1(78) at 31.2501 11.072 7.05612 in (null):R-9999 (9) other bump:2.65483 Ang CE1(43) at 31.924 12.047 6.231 in (null):F-9999 (5) and CZ(77) at 30.1371 10.3772 7.26401 in (null):R-9999 (9) other bump:2.48331 Ang CZ(45) at 31.159 12.64 7.214 in (null):F-9999 (5) and CZ(77) at 30.1371 10.3772 7.26401 in (null):R-9999 (9) other bump:3.03426 Ang CZ(45) at 31.159 12.64 7.214 in (null):F-9999 (5) and NE(76) at 29.0793 10.5575 6.47594 in (null):R-9999 (9) other bump:3.02892 Ang CZ(45) at 31.159 12.64 7.214 in (null):F-9999 (5) and CD(75) at 29.0447 11.5027 5.36714 in (null):R-9999 (9) Number of specific fragments= 1 total=3592 # 2bjxA.471.88 read from T0147_twice.t2k.frag # found chain 2bjxA in template set T0147_twice 471 :RLLNFLESR 2bjxA 207 :NLLDFIKHN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3593 # 1bjx.471.88 read from T0147_twice.t2k.frag # found chain 1bjx in template set T0147_twice 471 :RLLNFLESR 1bjx 207 :NLLDFIKHN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3594 # 1bj4A.471.361 read from T0147_twice.t2k.frag # found chain 1bj4A in template set T0147_twice 471 :RLLNFLESR 1bj4A 372 :RAEKVLEAC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3595 # 1dl5A.471.284 read from T0147_twice.t2k.frag # adding 1dl5A to template set 1dl5A:Skipped atom 638, because occupancy 0.49 <= existing 0.510001 Skipped atom 640, because occupancy 0.49 <= existing 0.510001 Skipped atom 642, because occupancy 0.49 <= existing 0.510001 Skipped atom 1419, because occupancy 0.45 <= existing 0.550001 Skipped atom 1421, because occupancy 0.45 <= existing 0.550001 Skipped atom 2357, because occupancy 0.49 <= existing 0.510001 Skipped atom 2359, because occupancy 0.49 <= existing 0.510001 # found chain 1dl5A in template set T0147_twice 471 :RLLNFLESR 1dl5A 285 :NLLTQWESC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3596 # 1e5xA.471.473 read from T0147_twice.t2k.frag # found chain 1e5xA in template set T0147_twice 471 :RLLNFLESR 1e5xA 474 :VLKSYLGSN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3597 # 1thfD.472.236 read from T0147_twice.t2k.frag # found chain 1thfD in template set T0147_twice 472 :LLNFLESRG 1thfD 237 :LKEYLKKHG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3598 # 1dl5A.472.285 read from T0147_twice.t2k.frag # found chain 1dl5A in template set T0147_twice 472 :LLNFLESRG 1dl5A 286 :LLTQWESCG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3599 # 1bjx.472.89 read from T0147_twice.t2k.frag # found chain 1bjx in template set T0147_twice 472 :LLNFLESRG 1bjx 208 :LLDFIKHNQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3600 # 2bjxA.472.89 read from T0147_twice.t2k.frag # found chain 2bjxA in template set T0147_twice 472 :LLNFLESRG 2bjxA 208 :LLDFIKHNQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3601 # 1bj4A.472.362 read from T0147_twice.t2k.frag # found chain 1bj4A in template set T0147_twice 472 :LLNFLESRG 1bj4A 373 :AEKVLEACS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3602 # 1sur.472.188 read from T0147_twice.t2k.frag # found chain 1sur in template set T0147_twice 472 :LLNFLESRG 1sur 189 :IYQYLQKHG Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.44893 Ang CD1(30) at 45.121 16.149 50.942 in (null):F-9999 (4) and NH2(68) at 45.4268 16.81 52.1946 in (null):R-9999 (8) other bump:0.929427 Ang CE1(32) at 45.44 17.392 51.47 in (null):F-9999 (4) and NH2(68) at 45.4268 16.81 52.1946 in (null):R-9999 (8) other bump:2.25638 Ang CZ(34) at 45.153 18.525 50.754 in (null):F-9999 (4) and NH2(68) at 45.4268 16.81 52.1946 in (null):R-9999 (8) other bump:2.22692 Ang CE1(32) at 45.44 17.392 51.47 in (null):F-9999 (4) and NH1(67) at 46.2625 18.7384 53.0416 in (null):R-9999 (8) other bump:2.55138 Ang CZ(34) at 45.153 18.525 50.754 in (null):F-9999 (4) and NH1(67) at 46.2625 18.7384 53.0416 in (null):R-9999 (8) other bump:3.16345 Ang CE2(33) at 44.547 18.433 49.511 in (null):F-9999 (4) and CZ(66) at 46.2898 17.8137 52.0774 in (null):R-9999 (8) other bump:2.32948 Ang CD1(30) at 45.121 16.149 50.942 in (null):F-9999 (4) and CZ(66) at 46.2898 17.8137 52.0774 in (null):R-9999 (8) other bump:1.12646 Ang CE1(32) at 45.44 17.392 51.47 in (null):F-9999 (4) and CZ(66) at 46.2898 17.8137 52.0774 in (null):R-9999 (8) other bump:1.88407 Ang CZ(34) at 45.153 18.525 50.754 in (null):F-9999 (4) and CZ(66) at 46.2898 17.8137 52.0774 in (null):R-9999 (8) other bump:3.01285 Ang CE2(33) at 44.547 18.433 49.511 in (null):F-9999 (4) and NE(65) at 47.0731 17.77 51.0132 in (null):R-9999 (8) other bump:2.53833 Ang CD1(30) at 45.121 16.149 50.942 in (null):F-9999 (4) and NE(65) at 47.0731 17.77 51.0132 in (null):R-9999 (8) other bump:1.73735 Ang CE1(32) at 45.44 17.392 51.47 in (null):F-9999 (4) and NE(65) at 47.0731 17.77 51.0132 in (null):R-9999 (8) other bump:2.0794 Ang CZ(34) at 45.153 18.525 50.754 in (null):F-9999 (4) and NE(65) at 47.0731 17.77 51.0132 in (null):R-9999 (8) other bump:2.97885 Ang CZ(34) at 45.153 18.525 50.754 in (null):F-9999 (4) and CD(64) at 48.1165 18.5689 50.4547 in (null):R-9999 (8) Number of specific fragments= 1 total=3603 # 1dl5A.473.286 read from T0147_twice.t2k.frag # found chain 1dl5A in template set T0147_twice 473 :LNFLESRGM 1dl5A 287 :LTQWESCGY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3604 # 1bjx.473.90 read from T0147_twice.t2k.frag # found chain 1bjx in template set T0147_twice 473 :LNFLESRGM 1bjx 209 :LDFIKHNQL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.29853 Ang O(65) at -11.29 0.814 -0.654 in (null):G-9999 (8) and CB(69) at -12.7238 0.777968 -2.45017 in (null):M-9999 (9) neighbor-bump: 2.52441 Ang C(66) at -10.916 1.887 -1.081 in (null):G-9999 (8) and CB(69) at -12.7238 0.777968 -2.45017 in (null):M-9999 (9) Number of specific fragments= 1 total=3605 # 2bjxA.473.90 read from T0147_twice.t2k.frag # found chain 2bjxA in template set T0147_twice 473 :LNFLESRGM 2bjxA 209 :LDFIKHNQL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.29853 Ang O(65) at -11.29 0.814 -0.654 in (null):G-9999 (8) and CB(69) at -12.7238 0.777968 -2.45017 in (null):M-9999 (9) neighbor-bump: 2.52441 Ang C(66) at -10.916 1.887 -1.081 in (null):G-9999 (8) and CB(69) at -12.7238 0.777968 -2.45017 in (null):M-9999 (9) Number of specific fragments= 1 total=3606 # 1thfD.473.237 read from T0147_twice.t2k.frag # found chain 1thfD in template set T0147_twice 473 :LNFLESRGM 1thfD 238 :KEYLKKHGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3607 # 1sspE.473.206 read from T0147_twice.t2k.frag # adding 1sspE to template set 1sspE:# found chain 1sspE in template set T0147_twice 473 :LNFLESRGM 1sspE 288 :NELLQKSGK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.07571 Ang CD2(34) at 21.885 1.193 29.143 in (null):L-9999 (4) and SD(71) at 18.8185 1.08969 28.9283 in (null):M-9999 (9) Number of specific fragments= 1 total=3608 # 1akz.473.206 read from T0147_twice.t2k.frag # adding 1akz to template set 1akz:# found chain 1akz in template set T0147_twice 473 :LNFLESRGM 1akz 288 :NELLQKSGK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98476 Ang NH1(59) at -13.3957 -15.3734 -37.6443 in (null):R-9999 (7) and CE(72) at -12.9871 -18.0469 -38.9069 in (null):M-9999 (9) other bump:2.62941 Ang CD2(34) at -15.949 -19.978 -36.681 in (null):L-9999 (4) and SD(71) at -14.2862 -19.2107 -38.5679 in (null):M-9999 (9) other bump:3.26656 Ang NH2(60) at -15.2303 -16.5212 -36.9724 in (null):R-9999 (7) and SD(71) at -14.2862 -19.2107 -38.5679 in (null):M-9999 (9) Number of specific fragments= 1 total=3609 # 1dl5A.474.287 read from T0147_twice.t2k.frag # found chain 1dl5A in template set T0147_twice 474 :NFLESRGMA 1dl5A 288 :TQWESCGYR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3610 # 2bjxA.474.91 read from T0147_twice.t2k.frag # found chain 2bjxA in template set T0147_twice 474 :NFLESRGMA 2bjxA 210 :DFIKHNQLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3611 # 1bjx.474.91 read from T0147_twice.t2k.frag # found chain 1bjx in template set T0147_twice 474 :NFLESRGMA 1bjx 210 :DFIKHNQLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3612 # 1sspE.474.207 read from T0147_twice.t2k.frag # found chain 1sspE in template set T0147_twice 474 :NFLESRGMA 1sspE 289 :ELLQKSGKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3613 # 1akz.474.207 read from T0147_twice.t2k.frag # found chain 1akz in template set T0147_twice 474 :NFLESRGMA 1akz 289 :ELLQKSGKK Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.32991 Ang NE(49) at -15.4876 -15.2342 -38.7903 in (null):R-9999 (6) and CE(64) at -14.4725 -18.4019 -38.945 in (null):M-9999 (8) other bump:2.82886 Ang NH2(52) at -15.2303 -16.5212 -36.9724 in (null):R-9999 (6) and CE(64) at -14.4725 -18.4019 -38.945 in (null):M-9999 (8) other bump:3.31681 Ang CA(22) at -18.292 -19.342 -38.574 in (null):L-9999 (3) and SD(63) at -15.0598 -19.8478 -38.0279 in (null):M-9999 (8) other bump:2.8511 Ang CG(24) at -17.34 -20.55 -36.467 in (null):L-9999 (3) and SD(63) at -15.0598 -19.8478 -38.0279 in (null):M-9999 (8) other bump:1.61918 Ang CD2(26) at -15.949 -19.978 -36.681 in (null):L-9999 (3) and SD(63) at -15.0598 -19.8478 -38.0279 in (null):M-9999 (8) other bump:3.49427 Ang NH2(52) at -15.2303 -16.5212 -36.9724 in (null):R-9999 (6) and SD(63) at -15.0598 -19.8478 -38.0279 in (null):M-9999 (8) other bump:3.04803 Ang CA(22) at -18.292 -19.342 -38.574 in (null):L-9999 (3) and CG(62) at -15.7533 -20.8358 -39.3575 in (null):M-9999 (8) other bump:2.79084 Ang CB(23) at -18.074 -20.663 -37.817 in (null):L-9999 (3) and CG(62) at -15.7533 -20.8358 -39.3575 in (null):M-9999 (8) other bump:3.18674 Ang C(28) at -18.621 -19.628 -40.045 in (null):L-9999 (3) and CG(62) at -15.7533 -20.8358 -39.3575 in (null):M-9999 (8) other bump:2.81742 Ang CD2(26) at -15.949 -19.978 -36.681 in (null):L-9999 (3) and CG(62) at -15.7533 -20.8358 -39.3575 in (null):M-9999 (8) Number of specific fragments= 1 total=3614 # 1ass.474.107 read from T0147_twice.t2k.frag # found chain 1ass in template set T0147_twice 474 :NFLESRGMA 1ass 108 :KLAKATGAK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.07129 Ang NE(49) at 39.9739 2.57681 42.9565 in (null):R-9999 (6) and CE(64) at 39.3304 4.3051 40.5005 in (null):M-9999 (8) other bump:2.53639 Ang CZ(50) at 38.8406 3.22285 42.7416 in (null):R-9999 (6) and CE(64) at 39.3304 4.3051 40.5005 in (null):M-9999 (8) other bump:2.30231 Ang NH2(52) at 38.9264 4.54883 42.754 in (null):R-9999 (6) and CE(64) at 39.3304 4.3051 40.5005 in (null):M-9999 (8) other bump:3.23829 Ang NH2(52) at 38.9264 4.54883 42.754 in (null):R-9999 (6) and SD(63) at 39.3749 6.01229 39.9003 in (null):M-9999 (8) other bump:2.78194 Ang CD2(26) at 41.9997 8.31331 38.6843 in (null):L-9999 (3) and CG(62) at 40.6319 5.89165 38.6234 in (null):M-9999 (8) Number of specific fragments= 1 total=3615 # 1dl5A.475.288 read from T0147_twice.t2k.frag # found chain 1dl5A in template set T0147_twice 475 :FLESRGMAP 1dl5A 289 :QWESCGYRS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3616 # 1ass.475.108 read from T0147_twice.t2k.frag # found chain 1ass in template set T0147_twice 475 :FLESRGMAP 1ass 109 :LAKATGAKI Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9664 Ang CD2(18) at 41.9997 8.31332 38.6843 in (null):L-9999 (2) and CD(68) at 42.589 10.1855 36.46 in (null):P-9999 (9) other bump:2.54108 Ang CD1(17) at 43.6442 10.1864 38.7717 in (null):L-9999 (2) and CD(68) at 42.589 10.1855 36.46 in (null):P-9999 (9) other bump:2.65831 Ang CD2(18) at 41.9997 8.31332 38.6843 in (null):L-9999 (2) and CG(67) at 42.4217 10.8057 37.8616 in (null):P-9999 (9) other bump:2.59303 Ang CG(16) at 43.2198 8.87828 39.4018 in (null):L-9999 (2) and CG(67) at 42.4217 10.8057 37.8616 in (null):P-9999 (9) other bump:1.64502 Ang CD1(17) at 43.6442 10.1864 38.7717 in (null):L-9999 (2) and CG(67) at 42.4217 10.8057 37.8616 in (null):P-9999 (9) other bump:3.01514 Ang CD1(17) at 43.6442 10.1864 38.7717 in (null):L-9999 (2) and CB(66) at 41.1902 11.652 37.8119 in (null):P-9999 (9) other bump:3.07129 Ang NE(41) at 39.9739 2.57681 42.9565 in (null):R-9999 (5) and CE(56) at 39.3304 4.3051 40.5005 in (null):M-9999 (7) other bump:2.53638 Ang CZ(42) at 38.8406 3.22286 42.7415 in (null):R-9999 (5) and CE(56) at 39.3304 4.3051 40.5005 in (null):M-9999 (7) other bump:2.30231 Ang NH2(44) at 38.9264 4.54883 42.754 in (null):R-9999 (5) and CE(56) at 39.3304 4.3051 40.5005 in (null):M-9999 (7) other bump:3.23828 Ang NH2(44) at 38.9264 4.54883 42.754 in (null):R-9999 (5) and SD(55) at 39.3749 6.01229 39.9003 in (null):M-9999 (7) other bump:2.78195 Ang CD2(18) at 41.9997 8.31332 38.6843 in (null):L-9999 (2) and CG(54) at 40.6319 5.89165 38.6234 in (null):M-9999 (7) Number of specific fragments= 1 total=3617 # 1sspE.475.208 read from T0147_twice.t2k.frag # found chain 1sspE in template set T0147_twice 475 :FLESRGMAP 1sspE 290 :LLQKSGKKP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57398 Ang OE2(27) at 23.015 -2.71686 36.1574 in (null):E-9999 (3) and CD(68) at 23.11 -4.395 34.208 in (null):P-9999 (9) Number of specific fragments= 1 total=3618 # 1akz.475.208 read from T0147_twice.t2k.frag # found chain 1akz in template set T0147_twice 475 :FLESRGMAP 1akz 290 :LLQKSGKKP Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.32991 Ang NE(41) at -15.4876 -15.2342 -38.7903 in (null):R-9999 (5) and CE(56) at -14.4725 -18.4019 -38.945 in (null):M-9999 (7) other bump:2.82886 Ang NH2(44) at -15.2303 -16.5212 -36.9724 in (null):R-9999 (5) and CE(56) at -14.4725 -18.4019 -38.945 in (null):M-9999 (7) other bump:3.31681 Ang CA(14) at -18.292 -19.342 -38.574 in (null):L-9999 (2) and SD(55) at -15.0598 -19.8478 -38.0279 in (null):M-9999 (7) other bump:2.8511 Ang CG(16) at -17.34 -20.55 -36.467 in (null):L-9999 (2) and SD(55) at -15.0598 -19.8478 -38.0279 in (null):M-9999 (7) other bump:1.61918 Ang CD2(18) at -15.949 -19.978 -36.681 in (null):L-9999 (2) and SD(55) at -15.0598 -19.8478 -38.0279 in (null):M-9999 (7) other bump:3.49427 Ang NH2(44) at -15.2303 -16.5212 -36.9724 in (null):R-9999 (5) and SD(55) at -15.0598 -19.8478 -38.0279 in (null):M-9999 (7) other bump:3.04803 Ang CA(14) at -18.292 -19.342 -38.574 in (null):L-9999 (2) and CG(54) at -15.7533 -20.8358 -39.3575 in (null):M-9999 (7) other bump:2.79084 Ang CB(15) at -18.074 -20.663 -37.817 in (null):L-9999 (2) and CG(54) at -15.7533 -20.8358 -39.3575 in (null):M-9999 (7) other bump:3.18674 Ang C(20) at -18.621 -19.628 -40.045 in (null):L-9999 (2) and CG(54) at -15.7533 -20.8358 -39.3575 in (null):M-9999 (7) other bump:2.81742 Ang CD2(18) at -15.949 -19.978 -36.681 in (null):L-9999 (2) and CG(54) at -15.7533 -20.8358 -39.3575 in (null):M-9999 (7) Number of specific fragments= 1 total=3619 # 1asx.475.108 read from T0147_twice.t2k.frag # adding 1asx to template set 1asx:# found chain 1asx in template set T0147_twice 475 :FLESRGMAP 1asx 109 :LAKATGAKI Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83293 Ang CD2(18) at -16.8355 34.8375 37.955 in (null):L-9999 (2) and CD(68) at -15.6236 35.5353 40.4187 in (null):P-9999 (9) other bump:2.38836 Ang CD1(17) at -16.1063 37.1076 38.6869 in (null):L-9999 (2) and CD(68) at -15.6236 35.5353 40.4187 in (null):P-9999 (9) other bump:2.62121 Ang CG(16) at -16.8722 36.3283 37.6407 in (null):L-9999 (2) and CG(67) at -14.8258 36.1892 39.2728 in (null):P-9999 (9) other bump:2.7572 Ang CD2(18) at -16.8355 34.8375 37.955 in (null):L-9999 (2) and CG(67) at -14.8258 36.1892 39.2728 in (null):P-9999 (9) other bump:1.68118 Ang CD1(17) at -16.1063 37.1076 38.6869 in (null):L-9999 (2) and CG(67) at -14.8258 36.1892 39.2728 in (null):P-9999 (9) other bump:3.11294 Ang CD1(17) at -16.1063 37.1076 38.6869 in (null):L-9999 (2) and CB(66) at -13.4803 35.5374 39.2606 in (null):P-9999 (9) other bump:3.12194 Ang CD2(18) at -16.8355 34.8375 37.955 in (null):L-9999 (2) and C(58) at -18.782 32.967 39.523 in (null):M-9999 (7) other bump:2.6072 Ang CD(40) at -20.9162 31.9103 31.639 in (null):R-9999 (5) and CE(56) at -19.7503 32.3917 33.9208 in (null):M-9999 (7) other bump:2.77232 Ang CG(39) at -22.0083 32.7068 32.3435 in (null):R-9999 (5) and CE(56) at -19.7503 32.3917 33.9208 in (null):M-9999 (7) other bump:1.84198 Ang NE(41) at -19.6117 32.2793 32.0874 in (null):R-9999 (5) and CE(56) at -19.7503 32.3917 33.9208 in (null):M-9999 (7) other bump:2.19714 Ang CZ(42) at -18.4566 31.6713 32.2976 in (null):R-9999 (5) and CE(56) at -19.7503 32.3917 33.9208 in (null):M-9999 (7) other bump:2.56905 Ang NH2(44) at -17.4718 32.4488 32.7352 in (null):R-9999 (5) and CE(56) at -19.7503 32.3917 33.9208 in (null):M-9999 (7) other bump:2.93328 Ang NE(41) at -19.6117 32.2793 32.0874 in (null):R-9999 (5) and SD(55) at -18.5873 31.2719 34.6448 in (null):M-9999 (7) other bump:2.38455 Ang CZ(42) at -18.4566 31.6713 32.2976 in (null):R-9999 (5) and SD(55) at -18.5873 31.2719 34.6448 in (null):M-9999 (7) other bump:2.70723 Ang NH1(43) at -18.1634 30.3792 32.1244 in (null):R-9999 (5) and SD(55) at -18.5873 31.2719 34.6448 in (null):M-9999 (7) other bump:2.50517 Ang NH2(44) at -17.4718 32.4488 32.7352 in (null):R-9999 (5) and SD(55) at -18.5873 31.2719 34.6448 in (null):M-9999 (7) Number of specific fragments= 1 total=3620 # 1gt7A.475.258 read from T0147_twice.t2k.frag # found chain 1gt7A in template set T0147_twice 475 :FLESRGMAP 1gt7A 259 :LGKRFGVTP Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.38005 Ang CD2(18) at -56.7718 59.6609 61.2047 in (null):L-9999 (2) and CD(68) at -55.602 60.383 61.084 in (null):P-9999 (9) other bump:2.42122 Ang CG(16) at -56.8524 58.8021 62.4254 in (null):L-9999 (2) and CD(68) at -55.602 60.383 61.084 in (null):P-9999 (9) other bump:2.66069 Ang CD1(17) at -55.8059 59.2058 63.4613 in (null):L-9999 (2) and CD(68) at -55.602 60.383 61.084 in (null):P-9999 (9) other bump:2.13121 Ang CD2(18) at -56.7718 59.6609 61.2047 in (null):L-9999 (2) and CG(67) at -54.843 59.322 60.364 in (null):P-9999 (9) other bump:2.92534 Ang CG(16) at -56.8524 58.8021 62.4254 in (null):L-9999 (2) and CG(67) at -54.843 59.322 60.364 in (null):P-9999 (9) other bump:2.8025 Ang CD2(18) at -56.7718 59.6609 61.2047 in (null):L-9999 (2) and N(64) at -54.576 61.386 61.442 in (null):P-9999 (9) other bump:3.02644 Ang CG(16) at -56.8524 58.8021 62.4254 in (null):L-9999 (2) and C(58) at -56.491 60.748 64.715 in (null):M-9999 (7) other bump:2.10226 Ang CD1(17) at -55.8059 59.2058 63.4613 in (null):L-9999 (2) and C(58) at -56.491 60.748 64.715 in (null):M-9999 (7) other bump:1.98955 Ang CG(16) at -56.8524 58.8021 62.4254 in (null):L-9999 (2) and O(57) at -57.147 60.083 63.919 in (null):M-9999 (7) other bump:1.66658 Ang CD1(17) at -55.8059 59.2058 63.4613 in (null):L-9999 (2) and O(57) at -57.147 60.083 63.919 in (null):M-9999 (7) other bump:2.48036 Ang CD1(17) at -55.8059 59.2058 63.4613 in (null):L-9999 (2) and CG(54) at -54.8415 58.4113 65.604 in (null):M-9999 (7) other bump:3.13872 Ang CD1(17) at -55.8059 59.2058 63.4613 in (null):L-9999 (2) and CB(53) at -55.1309 59.5881 66.5027 in (null):M-9999 (7) other bump:2.94084 Ang CD1(17) at -55.8059 59.2058 63.4613 in (null):L-9999 (2) and CA(52) at -56.372 60.282 66.139 in (null):M-9999 (7) other bump:2.98548 Ang CZ(10) at -52.8212 51.184 65.7571 in (null):F-9999 (1) and CZ(42) at -53.4702 50.996 68.6651 in (null):R-9999 (5) other bump:2.94054 Ang CE1(8) at -54.1919 50.9119 65.8158 in (null):F-9999 (1) and CZ(42) at -53.4702 50.996 68.6651 in (null):R-9999 (5) Number of specific fragments= 1 total=3621 # 1dl5A.476.289 read from T0147_twice.t2k.frag # found chain 1dl5A in template set T0147_twice 476 :LESRGMAPI 1dl5A 290 :WESCGYRSF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3622 # 1asx.476.109 read from T0147_twice.t2k.frag # found chain 1asx in template set T0147_twice 476 :LESRGMAPI 1asx 110 :AKATGAKIV Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83294 Ang CD2(7) at -16.8355 34.8375 37.955 in (null):L-9999 (1) and CD(57) at -15.6236 35.5353 40.4187 in (null):P-9999 (8) other bump:2.38835 Ang CD1(6) at -16.1063 37.1075 38.6869 in (null):L-9999 (1) and CD(57) at -15.6236 35.5353 40.4187 in (null):P-9999 (8) other bump:2.62121 Ang CG(5) at -16.8722 36.3283 37.6407 in (null):L-9999 (1) and CG(56) at -14.8258 36.1892 39.2728 in (null):P-9999 (8) other bump:2.75722 Ang CD2(7) at -16.8355 34.8375 37.955 in (null):L-9999 (1) and CG(56) at -14.8258 36.1892 39.2728 in (null):P-9999 (8) other bump:1.68118 Ang CD1(6) at -16.1063 37.1075 38.6869 in (null):L-9999 (1) and CG(56) at -14.8258 36.1892 39.2728 in (null):P-9999 (8) other bump:3.11294 Ang CD1(6) at -16.1063 37.1075 38.6869 in (null):L-9999 (1) and CB(55) at -13.4803 35.5374 39.2606 in (null):P-9999 (8) other bump:3.12193 Ang CD2(7) at -16.8355 34.8375 37.955 in (null):L-9999 (1) and C(47) at -18.782 32.967 39.523 in (null):M-9999 (6) other bump:2.6072 Ang CD(29) at -20.9162 31.9103 31.639 in (null):R-9999 (4) and CE(45) at -19.7503 32.3917 33.9208 in (null):M-9999 (6) other bump:2.77232 Ang CG(28) at -22.0083 32.7068 32.3435 in (null):R-9999 (4) and CE(45) at -19.7503 32.3917 33.9208 in (null):M-9999 (6) other bump:1.84198 Ang NE(30) at -19.6117 32.2793 32.0874 in (null):R-9999 (4) and CE(45) at -19.7503 32.3917 33.9208 in (null):M-9999 (6) other bump:2.19714 Ang CZ(31) at -18.4566 31.6713 32.2976 in (null):R-9999 (4) and CE(45) at -19.7503 32.3917 33.9208 in (null):M-9999 (6) other bump:2.56904 Ang NH2(33) at -17.4718 32.4488 32.7352 in (null):R-9999 (4) and CE(45) at -19.7503 32.3917 33.9208 in (null):M-9999 (6) other bump:2.93328 Ang NE(30) at -19.6117 32.2793 32.0874 in (null):R-9999 (4) and SD(44) at -18.5873 31.2719 34.6448 in (null):M-9999 (6) other bump:2.38455 Ang CZ(31) at -18.4566 31.6713 32.2976 in (null):R-9999 (4) and SD(44) at -18.5873 31.2719 34.6448 in (null):M-9999 (6) other bump:2.70723 Ang NH1(32) at -18.1634 30.3792 32.1244 in (null):R-9999 (4) and SD(44) at -18.5873 31.2719 34.6448 in (null):M-9999 (6) other bump:2.50517 Ang NH2(33) at -17.4718 32.4488 32.7352 in (null):R-9999 (4) and SD(44) at -18.5873 31.2719 34.6448 in (null):M-9999 (6) Number of specific fragments= 1 total=3623 # 1gt7A.476.259 read from T0147_twice.t2k.frag # found chain 1gt7A in template set T0147_twice 476 :LESRGMAPI 1gt7A 260 :GKRFGVTPL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.0523 Ang CG(5) at -55.2142 57.3963 61.5795 in (null):L-9999 (1) and CD(57) at -55.602 60.383 61.084 in (null):P-9999 (8) other bump:2.24268 Ang CD1(6) at -55.1068 58.312 60.3802 in (null):L-9999 (1) and CD(57) at -55.602 60.383 61.084 in (null):P-9999 (8) other bump:2.30732 Ang CG(5) at -55.2142 57.3963 61.5795 in (null):L-9999 (1) and CG(56) at -54.843 59.322 60.364 in (null):P-9999 (8) other bump:1.04404 Ang CD1(6) at -55.1068 58.312 60.3802 in (null):L-9999 (1) and CG(56) at -54.843 59.322 60.364 in (null):P-9999 (8) other bump:2.79918 Ang CD2(7) at -54.3021 57.8792 62.7009 in (null):L-9999 (1) and CG(56) at -54.843 59.322 60.364 in (null):P-9999 (8) other bump:2.26628 Ang CD1(6) at -55.1068 58.312 60.3802 in (null):L-9999 (1) and CB(55) at -53.549 59.896 59.933 in (null):P-9999 (8) Number of specific fragments= 1 total=3624 # 1ass.476.109 read from T0147_twice.t2k.frag # found chain 1ass in template set T0147_twice 476 :LESRGMAPI 1ass 110 :AKATGAKIV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.6521 Ang CG2(64) at 35.3049 12.9836 33.6875 in (null):I-9999 (9) and N(68) at 36.872 15.021 34.341 in (null):G-9999 (10) other bump:2.96641 Ang CD2(7) at 41.9997 8.31332 38.6843 in (null):L-9999 (1) and CD(57) at 42.589 10.1855 36.46 in (null):P-9999 (8) other bump:2.54106 Ang CD1(6) at 43.6441 10.1864 38.7717 in (null):L-9999 (1) and CD(57) at 42.589 10.1855 36.46 in (null):P-9999 (8) other bump:2.65831 Ang CD2(7) at 41.9997 8.31332 38.6843 in (null):L-9999 (1) and CG(56) at 42.4217 10.8057 37.8616 in (null):P-9999 (8) other bump:2.59302 Ang CG(5) at 43.2198 8.87828 39.4018 in (null):L-9999 (1) and CG(56) at 42.4217 10.8057 37.8616 in (null):P-9999 (8) other bump:1.645 Ang CD1(6) at 43.6441 10.1864 38.7717 in (null):L-9999 (1) and CG(56) at 42.4217 10.8057 37.8616 in (null):P-9999 (8) other bump:3.01513 Ang CD1(6) at 43.6441 10.1864 38.7717 in (null):L-9999 (1) and CB(55) at 41.1902 11.652 37.8119 in (null):P-9999 (8) other bump:2.53638 Ang CZ(31) at 38.8406 3.22286 42.7415 in (null):R-9999 (4) and CE(45) at 39.3304 4.3051 40.5005 in (null):M-9999 (6) other bump:2.30231 Ang NH2(33) at 38.9264 4.54883 42.754 in (null):R-9999 (4) and CE(45) at 39.3304 4.3051 40.5005 in (null):M-9999 (6) other bump:3.07129 Ang NE(30) at 39.9739 2.57681 42.9565 in (null):R-9999 (4) and CE(45) at 39.3304 4.3051 40.5005 in (null):M-9999 (6) other bump:3.23828 Ang NH2(33) at 38.9264 4.54883 42.754 in (null):R-9999 (4) and SD(44) at 39.3749 6.01229 39.9003 in (null):M-9999 (6) other bump:2.78194 Ang CD2(7) at 41.9997 8.31332 38.6843 in (null):L-9999 (1) and CG(43) at 40.6319 5.89165 38.6234 in (null):M-9999 (6) Number of specific fragments= 1 total=3625 # 1sspE.476.209 read from T0147_twice.t2k.frag # found chain 1sspE in template set T0147_twice 476 :LESRGMAPI 1sspE 291 :LQKSGKKPI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57398 Ang OE2(16) at 23.015 -2.71686 36.1574 in (null):E-9999 (2) and CD(57) at 23.11 -4.395 34.208 in (null):P-9999 (8) Number of specific fragments= 1 total=3626 # 1akz.476.209 read from T0147_twice.t2k.frag # found chain 1akz in template set T0147_twice 476 :LESRGMAPI 1akz 291 :LQKSGKKPI Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.32991 Ang NE(30) at -15.4876 -15.2342 -38.7903 in (null):R-9999 (4) and CE(45) at -14.4725 -18.4019 -38.945 in (null):M-9999 (6) other bump:2.82886 Ang NH2(33) at -15.2303 -16.5212 -36.9724 in (null):R-9999 (4) and CE(45) at -14.4725 -18.4019 -38.945 in (null):M-9999 (6) other bump:3.31681 Ang CA(3) at -18.292 -19.342 -38.574 in (null):L-9999 (1) and SD(44) at -15.0598 -19.8478 -38.0279 in (null):M-9999 (6) other bump:2.8511 Ang CG(5) at -17.34 -20.55 -36.467 in (null):L-9999 (1) and SD(44) at -15.0598 -19.8478 -38.0279 in (null):M-9999 (6) other bump:1.61918 Ang CD2(7) at -15.949 -19.978 -36.681 in (null):L-9999 (1) and SD(44) at -15.0598 -19.8478 -38.0279 in (null):M-9999 (6) other bump:3.49427 Ang NH2(33) at -15.2303 -16.5212 -36.9724 in (null):R-9999 (4) and SD(44) at -15.0598 -19.8478 -38.0279 in (null):M-9999 (6) other bump:3.04803 Ang CA(3) at -18.292 -19.342 -38.574 in (null):L-9999 (1) and CG(43) at -15.7533 -20.8358 -39.3575 in (null):M-9999 (6) other bump:2.79084 Ang CB(4) at -18.074 -20.663 -37.817 in (null):L-9999 (1) and CG(43) at -15.7533 -20.8358 -39.3575 in (null):M-9999 (6) other bump:3.18674 Ang C(9) at -18.621 -19.628 -40.045 in (null):L-9999 (1) and CG(43) at -15.7533 -20.8358 -39.3575 in (null):M-9999 (6) other bump:2.81742 Ang CD2(7) at -15.949 -19.978 -36.681 in (null):L-9999 (1) and CG(43) at -15.7533 -20.8358 -39.3575 in (null):M-9999 (6) Number of specific fragments= 1 total=3627 # 1gt7A.477.260 read from T0147_twice.t2k.frag # found chain 1gt7A in template set T0147_twice 477 :ESRGMAPIA 1gt7A 261 :KRFGVTPLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3628 # 1asx.477.110 read from T0147_twice.t2k.frag # found chain 1asx in template set T0147_twice 477 :ESRGMAPIA 1asx 111 :KATGAKIVT Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77232 Ang CG(20) at -22.0083 32.7068 32.3435 in (null):R-9999 (3) and CE(37) at -19.7503 32.3917 33.9208 in (null):M-9999 (5) other bump:2.6072 Ang CD(21) at -20.9162 31.9103 31.639 in (null):R-9999 (3) and CE(37) at -19.7503 32.3917 33.9208 in (null):M-9999 (5) other bump:1.84198 Ang NE(22) at -19.6117 32.2793 32.0874 in (null):R-9999 (3) and CE(37) at -19.7503 32.3917 33.9208 in (null):M-9999 (5) other bump:2.19714 Ang CZ(23) at -18.4566 31.6713 32.2976 in (null):R-9999 (3) and CE(37) at -19.7503 32.3917 33.9208 in (null):M-9999 (5) other bump:2.56904 Ang NH2(25) at -17.4718 32.4488 32.7352 in (null):R-9999 (3) and CE(37) at -19.7503 32.3917 33.9208 in (null):M-9999 (5) other bump:2.93328 Ang NE(22) at -19.6117 32.2793 32.0874 in (null):R-9999 (3) and SD(36) at -18.5873 31.2719 34.6448 in (null):M-9999 (5) other bump:2.38455 Ang CZ(23) at -18.4566 31.6713 32.2976 in (null):R-9999 (3) and SD(36) at -18.5873 31.2719 34.6448 in (null):M-9999 (5) other bump:2.70723 Ang NH1(24) at -18.1634 30.3792 32.1244 in (null):R-9999 (3) and SD(36) at -18.5873 31.2719 34.6448 in (null):M-9999 (5) other bump:2.50517 Ang NH2(25) at -17.4718 32.4488 32.7352 in (null):R-9999 (3) and SD(36) at -18.5873 31.2719 34.6448 in (null):M-9999 (5) Number of specific fragments= 1 total=3629 # 1ass.477.110 read from T0147_twice.t2k.frag # found chain 1ass in template set T0147_twice 477 :ESRGMAPIA 1ass 111 :KATGAKIVT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.69885 Ang CG2(56) at 35.2854 12.9182 33.754 in (null):I-9999 (8) and N(60) at 36.872 15.021 34.341 in (null):A-9999 (9) other bump:3.07129 Ang NE(22) at 39.9739 2.57681 42.9565 in (null):R-9999 (3) and CE(37) at 39.3304 4.3051 40.5005 in (null):M-9999 (5) other bump:2.53639 Ang CZ(23) at 38.8406 3.22286 42.7416 in (null):R-9999 (3) and CE(37) at 39.3304 4.3051 40.5005 in (null):M-9999 (5) other bump:2.30231 Ang NH2(25) at 38.9264 4.54883 42.754 in (null):R-9999 (3) and CE(37) at 39.3304 4.3051 40.5005 in (null):M-9999 (5) other bump:3.23829 Ang NH2(25) at 38.9264 4.54883 42.754 in (null):R-9999 (3) and SD(36) at 39.3749 6.01229 39.9003 in (null):M-9999 (5) Number of specific fragments= 1 total=3630 # 1dl5A.477.290 read from T0147_twice.t2k.frag # found chain 1dl5A in template set T0147_twice 477 :ESRGMAPIA 1dl5A 291 :ESCGYRSFE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3631 # 1sspE.477.210 read from T0147_twice.t2k.frag # found chain 1sspE in template set T0147_twice 477 :ESRGMAPIA 1sspE 292 :QKSGKKPID Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57398 Ang OE2(8) at 23.015 -2.71687 36.1574 in (null):E-9999 (1) and CD(49) at 23.11 -4.395 34.208 in (null):P-9999 (7) Number of specific fragments= 1 total=3632 # 1akz.477.210 read from T0147_twice.t2k.frag # found chain 1akz in template set T0147_twice 477 :ESRGMAPIA 1akz 292 :QKSGKKPID Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.32993 Ang NE(22) at -15.4876 -15.2342 -38.7903 in (null):R-9999 (3) and CE(37) at -14.4725 -18.4019 -38.945 in (null):M-9999 (5) other bump:2.82887 Ang NH2(25) at -15.2303 -16.5211 -36.9724 in (null):R-9999 (3) and CE(37) at -14.4725 -18.4019 -38.945 in (null):M-9999 (5) other bump:3.49429 Ang NH2(25) at -15.2303 -16.5211 -36.9724 in (null):R-9999 (3) and SD(36) at -15.0598 -19.8478 -38.0279 in (null):M-9999 (5) other bump:3.18674 Ang C(1) at -18.621 -19.628 -40.045 in (null):G-9999 (0) and CG(35) at -15.7533 -20.8358 -39.3575 in (null):M-9999 (5) Number of specific fragments= 1 total=3633 # 1gt7A.478.261 read from T0147_twice.t2k.frag # found chain 1gt7A in template set T0147_twice 478 :SRGMAPIAE 1gt7A 262 :RFGVTPLAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3634 # 1asx.478.111 read from T0147_twice.t2k.frag # found chain 1asx in template set T0147_twice 478 :SRGMAPIAE 1asx 112 :ATGAKIVTD Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.33726 Ang CG2(47) at -10.4304 29.8152 42.8234 in (null):I-9999 (7) and O(63) at -8.598 28.439 43.283 in (null):E-9999 (9) other bump:2.77232 Ang CG(11) at -22.0083 32.7068 32.3435 in (null):R-9999 (2) and CE(28) at -19.7503 32.3917 33.9208 in (null):M-9999 (4) other bump:2.6072 Ang CD(12) at -20.9162 31.9103 31.639 in (null):R-9999 (2) and CE(28) at -19.7503 32.3917 33.9208 in (null):M-9999 (4) other bump:1.84198 Ang NE(13) at -19.6117 32.2793 32.0874 in (null):R-9999 (2) and CE(28) at -19.7503 32.3917 33.9208 in (null):M-9999 (4) other bump:2.19714 Ang CZ(14) at -18.4566 31.6713 32.2976 in (null):R-9999 (2) and CE(28) at -19.7503 32.3917 33.9208 in (null):M-9999 (4) other bump:2.56904 Ang NH2(16) at -17.4718 32.4488 32.7352 in (null):R-9999 (2) and CE(28) at -19.7503 32.3917 33.9208 in (null):M-9999 (4) other bump:2.93328 Ang NE(13) at -19.6117 32.2793 32.0874 in (null):R-9999 (2) and SD(27) at -18.5873 31.2719 34.6448 in (null):M-9999 (4) other bump:2.38455 Ang CZ(14) at -18.4566 31.6713 32.2976 in (null):R-9999 (2) and SD(27) at -18.5873 31.2719 34.6448 in (null):M-9999 (4) other bump:2.70723 Ang NH1(15) at -18.1634 30.3792 32.1244 in (null):R-9999 (2) and SD(27) at -18.5873 31.2719 34.6448 in (null):M-9999 (4) other bump:2.50517 Ang NH2(16) at -17.4718 32.4488 32.7352 in (null):R-9999 (2) and SD(27) at -18.5873 31.2719 34.6448 in (null):M-9999 (4) Number of specific fragments= 1 total=3635 # 1ass.478.111 read from T0147_twice.t2k.frag # found chain 1ass in template set T0147_twice 478 :SRGMAPIAE 1ass 112 :ATGAKIVTD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.69885 Ang CG2(47) at 35.2854 12.9182 33.754 in (null):I-9999 (7) and N(51) at 36.872 15.021 34.341 in (null):A-9999 (8) other bump:2.53638 Ang CZ(14) at 38.8406 3.22285 42.7415 in (null):R-9999 (2) and CE(28) at 39.3304 4.3051 40.5005 in (null):M-9999 (4) other bump:2.30231 Ang NH2(16) at 38.9264 4.54883 42.754 in (null):R-9999 (2) and CE(28) at 39.3304 4.3051 40.5005 in (null):M-9999 (4) other bump:3.07129 Ang NE(13) at 39.9739 2.57681 42.9565 in (null):R-9999 (2) and CE(28) at 39.3304 4.3051 40.5005 in (null):M-9999 (4) other bump:3.23829 Ang NH2(16) at 38.9264 4.54883 42.754 in (null):R-9999 (2) and SD(27) at 39.3749 6.01229 39.9003 in (null):M-9999 (4) Number of specific fragments= 1 total=3636 # 1dl5A.478.291 read from T0147_twice.t2k.frag # found chain 1dl5A in template set T0147_twice 478 :SRGMAPIAE 1dl5A 292 :SCGYRSFEY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.51202 Ang NH2(16) at 18.1492 3.90333 3.39447 in (null):R-9999 (2) and CA(66) at 17.344 2.642 3.178 in (null):G-9999 (10) other bump:2.69304 Ang CZ(14) at 19.1277 4.43478 4.10362 in (null):R-9999 (2) and CA(66) at 17.344 2.642 3.178 in (null):G-9999 (10) other bump:2.60071 Ang NH2(16) at 18.1492 3.90333 3.39447 in (null):R-9999 (2) and N(65) at 15.987 2.672 2.638 in (null):G-9999 (10) Number of specific fragments= 1 total=3637 # 2scuA.478.266 read from T0147_twice.t2k.frag # adding 2scuA to template set 2scuA:Bad short name: P for alphabet: pdb_atoms Bad short name: O1P for alphabet: pdb_atoms Bad short name: O2P for alphabet: pdb_atoms Bad short name: O3P for alphabet: pdb_atoms # found chain 2scuA in template set T0147_twice 478 :SRGMAPIAE 2scuA 267 :AAGVKTVRS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16004 Ang O(29) at 55.821 71.397 83.077 in (null):M-9999 (4) and CD(40) at 54.0289 70.7982 84.1237 in (null):P-9999 (6) other bump:2.88288 Ang C(30) at 55.605 71.942 81.998 in (null):M-9999 (4) and CD(40) at 54.0289 70.7982 84.1237 in (null):P-9999 (6) other bump:2.67001 Ang NH2(16) at 55.0733 66.3679 76.7649 in (null):R-9999 (2) and CE(28) at 54.2358 68.585 77.9947 in (null):M-9999 (4) Number of specific fragments= 1 total=3638 # 1sspE.478.211 read from T0147_twice.t2k.frag # found chain 1sspE in template set T0147_twice 478 :SRGMAPIAE 1sspE 293 :KSGKKPIDW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3639 # 1gt7A.479.262 read from T0147_twice.t2k.frag # found chain 1gt7A in template set T0147_twice 479 :RGMAPIAEF 1gt7A 263 :FGVTPLASA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3640 # 1asx.479.112 read from T0147_twice.t2k.frag # found chain 1asx in template set T0147_twice 479 :RGMAPIAEF 1asx 113 :TGAKIVTDL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.33726 Ang CG2(41) at -10.4304 29.8152 42.8234 in (null):I-9999 (6) and O(57) at -8.598 28.439 43.283 in (null):E-9999 (8) other bump:2.60721 Ang CD(6) at -20.9162 31.9103 31.639 in (null):R-9999 (1) and CE(22) at -19.7503 32.3917 33.9208 in (null):M-9999 (3) other bump:2.77232 Ang CG(5) at -22.0083 32.7068 32.3435 in (null):R-9999 (1) and CE(22) at -19.7503 32.3917 33.9208 in (null):M-9999 (3) other bump:1.84198 Ang NE(7) at -19.6117 32.2793 32.0874 in (null):R-9999 (1) and CE(22) at -19.7503 32.3917 33.9208 in (null):M-9999 (3) other bump:2.19714 Ang CZ(8) at -18.4566 31.6713 32.2976 in (null):R-9999 (1) and CE(22) at -19.7503 32.3917 33.9208 in (null):M-9999 (3) other bump:2.56905 Ang NH2(10) at -17.4718 32.4488 32.7352 in (null):R-9999 (1) and CE(22) at -19.7503 32.3917 33.9208 in (null):M-9999 (3) other bump:2.93328 Ang NE(7) at -19.6117 32.2793 32.0874 in (null):R-9999 (1) and SD(21) at -18.5873 31.2719 34.6448 in (null):M-9999 (3) other bump:2.38455 Ang CZ(8) at -18.4566 31.6713 32.2976 in (null):R-9999 (1) and SD(21) at -18.5873 31.2719 34.6448 in (null):M-9999 (3) other bump:2.70724 Ang NH1(9) at -18.1634 30.3792 32.1244 in (null):R-9999 (1) and SD(21) at -18.5873 31.2719 34.6448 in (null):M-9999 (3) other bump:2.50517 Ang NH2(10) at -17.4718 32.4488 32.7352 in (null):R-9999 (1) and SD(21) at -18.5873 31.2719 34.6448 in (null):M-9999 (3) Number of specific fragments= 1 total=3641 # 1ass.479.112 read from T0147_twice.t2k.frag # found chain 1ass in template set T0147_twice 479 :RGMAPIAEF 1ass 113 :TGAKIVTDL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.69885 Ang CG2(41) at 35.2854 12.9182 33.754 in (null):I-9999 (6) and N(45) at 36.872 15.021 34.341 in (null):A-9999 (7) other bump:3.07129 Ang NE(7) at 39.9739 2.57681 42.9565 in (null):R-9999 (1) and CE(22) at 39.3304 4.3051 40.5005 in (null):M-9999 (3) other bump:2.53639 Ang CZ(8) at 38.8406 3.22285 42.7416 in (null):R-9999 (1) and CE(22) at 39.3304 4.3051 40.5005 in (null):M-9999 (3) other bump:2.30232 Ang NH2(10) at 38.9264 4.54883 42.754 in (null):R-9999 (1) and CE(22) at 39.3304 4.3051 40.5005 in (null):M-9999 (3) other bump:3.23829 Ang NH2(10) at 38.9264 4.54883 42.754 in (null):R-9999 (1) and SD(21) at 39.3749 6.01229 39.9003 in (null):M-9999 (3) Number of specific fragments= 1 total=3642 # 2scuA.479.267 read from T0147_twice.t2k.frag # found chain 2scuA in template set T0147_twice 479 :RGMAPIAEF 2scuA 268 :AGVKTVRSL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88288 Ang C(24) at 55.605 71.942 81.998 in (null):M-9999 (3) and CD(34) at 54.0289 70.7982 84.1237 in (null):P-9999 (5) other bump:2.16004 Ang O(23) at 55.821 71.397 83.077 in (null):M-9999 (3) and CD(34) at 54.0289 70.7982 84.1237 in (null):P-9999 (5) other bump:2.67001 Ang NH2(10) at 55.0733 66.3679 76.7649 in (null):R-9999 (1) and CE(22) at 54.2358 68.585 77.9947 in (null):M-9999 (3) Number of specific fragments= 1 total=3643 # 1dl5A.479.292 read from T0147_twice.t2k.frag # found chain 1dl5A in template set T0147_twice 479 :RGMAPIAEF 1dl5A 293 :CGYRSFEYL Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82794 Ang NH2(10) at 18.1492 3.90333 3.39447 in (null):R-9999 (1) and N(70) at 19.426 1.458 2.772 in (null):G-9999 (10) other bump:2.59517 Ang NH2(10) at 18.1492 3.90333 3.39447 in (null):R-9999 (1) and C(69) at 18.099 1.381 2.786 in (null):F-9999 (9) other bump:2.71684 Ang CA(26) at 13.025 7.518 6.228 in (null):A-9999 (4) and CZ(67) at 15.3715 6.15639 6.37383 in (null):F-9999 (9) other bump:2.24744 Ang O(28) at 13.541 5.567 7.537 in (null):A-9999 (4) and CZ(67) at 15.3715 6.15639 6.37383 in (null):F-9999 (9) other bump:2.63063 Ang C(29) at 12.767 6.097 6.739 in (null):A-9999 (4) and CZ(67) at 15.3715 6.15639 6.37383 in (null):F-9999 (9) other bump:2.74214 Ang N(25) at 13.839 8.289 7.163 in (null):A-9999 (4) and CZ(67) at 15.3715 6.15639 6.37383 in (null):F-9999 (9) other bump:2.59623 Ang CB(27) at 13.713 7.463 4.863 in (null):A-9999 (4) and CZ(67) at 15.3715 6.15639 6.37383 in (null):F-9999 (9) other bump:3.01687 Ang CB(4) at 19.1468 7.94058 6.37338 in (null):R-9999 (1) and CE2(66) at 16.7491 6.12259 6.156 in (null):F-9999 (9) other bump:2.4496 Ang O(35) at 12.965 3.505 5.044 in (null):P-9999 (5) and CE1(65) at 14.5857 5.03739 6.05672 in (null):F-9999 (9) other bump:3.00185 Ang C(36) at 12.259 3.142 5.986 in (null):P-9999 (5) and CE1(65) at 14.5857 5.03739 6.05672 in (null):F-9999 (9) other bump:2.93574 Ang CA(26) at 13.025 7.518 6.228 in (null):A-9999 (4) and CE1(65) at 14.5857 5.03739 6.05672 in (null):F-9999 (9) other bump:1.88763 Ang O(28) at 13.541 5.567 7.537 in (null):A-9999 (4) and CE1(65) at 14.5857 5.03739 6.05672 in (null):F-9999 (9) other bump:2.21269 Ang C(29) at 12.767 6.097 6.739 in (null):A-9999 (4) and CE1(65) at 14.5857 5.03739 6.05672 in (null):F-9999 (9) other bump:2.8408 Ang CB(27) at 13.713 7.463 4.863 in (null):A-9999 (4) and CE1(65) at 14.5857 5.03739 6.05672 in (null):F-9999 (9) other bump:2.40214 Ang CZ(8) at 19.1277 4.43478 4.10362 in (null):R-9999 (1) and CD2(64) at 17.3473 4.97124 5.62432 in (null):F-9999 (9) other bump:2.5992 Ang NH2(10) at 18.1492 3.90333 3.39447 in (null):R-9999 (1) and CD2(64) at 17.3473 4.97124 5.62432 in (null):F-9999 (9) other bump:3.02301 Ang NH1(9) at 19.9631 3.68666 4.82066 in (null):R-9999 (1) and CD2(64) at 17.3473 4.97124 5.62432 in (null):F-9999 (9) other bump:2.60183 Ang NE(7) at 19.3422 5.75291 4.14829 in (null):R-9999 (1) and CD2(64) at 17.3473 4.97124 5.62432 in (null):F-9999 (9) other bump:2.32053 Ang O(35) at 12.965 3.505 5.044 in (null):P-9999 (5) and CD1(63) at 15.2047 3.88694 5.51597 in (null):F-9999 (9) other bump:2.69194 Ang CZ(8) at 19.1277 4.43478 4.10362 in (null):R-9999 (1) and CB(61) at 17.2313 2.62577 4.71801 in (null):F-9999 (9) other bump:2.05586 Ang NH2(10) at 18.1492 3.90333 3.39447 in (null):R-9999 (1) and CB(61) at 17.2313 2.62577 4.71801 in (null):F-9999 (9) other bump:2.69304 Ang CZ(8) at 19.1277 4.43478 4.10362 in (null):R-9999 (1) and CA(60) at 17.344 2.642 3.178 in (null):F-9999 (9) other bump:1.51202 Ang NH2(10) at 18.1492 3.90333 3.39447 in (null):R-9999 (1) and CA(60) at 17.344 2.642 3.178 in (null):F-9999 (9) other bump:2.60071 Ang NH2(10) at 18.1492 3.90333 3.39447 in (null):R-9999 (1) and N(59) at 15.987 2.672 2.638 in (null):F-9999 (9) Number of specific fragments= 1 total=3644 # 1scuA.479.267 read from T0147_twice.t2k.frag # adding 1scuA to template set 1scuA:# found chain 1scuA in template set T0147_twice 479 :RGMAPIAEF 1scuA 268 :AGVKTVRSL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.85624 Ang C(24) at 55.457 71.56 81.546 in (null):M-9999 (3) and CD(34) at 53.9675 71.0039 83.9188 in (null):P-9999 (5) other bump:1.8662 Ang O(23) at 55.329 71.04 82.643 in (null):M-9999 (3) and CD(34) at 53.9675 71.0039 83.9188 in (null):P-9999 (5) other bump:2.49797 Ang O(23) at 55.329 71.04 82.643 in (null):M-9999 (3) and CG(33) at 53.5909 69.5702 83.6718 in (null):P-9999 (5) other bump:2.71277 Ang NH2(10) at 54.7643 65.6927 76.3619 in (null):R-9999 (1) and SD(21) at 55.2408 67.9843 77.7334 in (null):M-9999 (3) Number of specific fragments= 1 total=3645 # 1gt7A.480.263 read from T0147_twice.t2k.frag # found chain 1gt7A in template set T0147_twice 480 :GMAPIAEFA 1gt7A 264 :GVTPLASAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3646 # 1asx.480.113 read from T0147_twice.t2k.frag # found chain 1asx in template set T0147_twice 480 :GMAPIAEFA 1asx 114 :GAKIVTDLD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.33726 Ang CG2(30) at -10.4304 29.8152 42.8234 in (null):I-9999 (5) and O(46) at -8.598 28.439 43.283 in (null):E-9999 (7) Number of specific fragments= 1 total=3647 # 1ass.480.113 read from T0147_twice.t2k.frag # found chain 1ass in template set T0147_twice 480 :GMAPIAEFA 1ass 114 :GAKIVTDLD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.69885 Ang CG2(30) at 35.2854 12.9182 33.754 in (null):I-9999 (5) and N(34) at 36.872 15.021 34.341 in (null):A-9999 (6) Number of specific fragments= 1 total=3648 # 2scuA.480.268 read from T0147_twice.t2k.frag # found chain 2scuA in template set T0147_twice 480 :GMAPIAEFA 2scuA 269 :GVKTVRSLA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16004 Ang O(12) at 55.821 71.397 83.077 in (null):M-9999 (2) and CD(23) at 54.0289 70.7982 84.1237 in (null):P-9999 (4) other bump:2.88288 Ang C(13) at 55.605 71.942 81.998 in (null):M-9999 (2) and CD(23) at 54.0289 70.7982 84.1237 in (null):P-9999 (4) Number of specific fragments= 1 total=3649 # 1scuA.480.268 read from T0147_twice.t2k.frag # found chain 1scuA in template set T0147_twice 480 :GMAPIAEFA 1scuA 269 :GVKTVRSLA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.8662 Ang O(12) at 55.329 71.04 82.643 in (null):M-9999 (2) and CD(23) at 53.9675 71.0039 83.9188 in (null):P-9999 (4) other bump:2.85624 Ang C(13) at 55.457 71.56 81.546 in (null):M-9999 (2) and CD(23) at 53.9675 71.0039 83.9188 in (null):P-9999 (4) other bump:2.49797 Ang O(12) at 55.329 71.04 82.643 in (null):M-9999 (2) and CG(22) at 53.5909 69.5702 83.6718 in (null):P-9999 (4) Number of specific fragments= 1 total=3650 # 1ea5A.480.480 read from T0147_twice.t2k.frag # found chain 1ea5A in training set T0147_twice 480 :GMAPIAEFA 1ea5A 481 :NPNEPHSQE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.21713 Ang CG(22) at 19.3 80.747 40.589 in (null):P-9999 (4) and OE2(45) at 20.4332 80.5252 40.9738 in (null):E-9999 (7) other bump:2.68394 Ang CD(23) at 18.174 81.103 39.645 in (null):P-9999 (4) and OE2(45) at 20.4332 80.5252 40.9738 in (null):E-9999 (7) other bump:2.37697 Ang CA(20) at 20.375 78.781 39.36 in (null):P-9999 (4) and OE2(45) at 20.4332 80.5252 40.9738 in (null):E-9999 (7) other bump:1.16438 Ang CB(21) at 20.507 80.222 39.852 in (null):P-9999 (4) and OE2(45) at 20.4332 80.5252 40.9738 in (null):E-9999 (7) other bump:2.29452 Ang CG(22) at 19.3 80.747 40.589 in (null):P-9999 (4) and CD(43) at 21.4809 81.2049 41.1357 in (null):E-9999 (7) other bump:3.20178 Ang CA(20) at 20.375 78.781 39.36 in (null):P-9999 (4) and CD(43) at 21.4809 81.2049 41.1357 in (null):E-9999 (7) other bump:1.88745 Ang CB(21) at 20.507 80.222 39.852 in (null):P-9999 (4) and CD(43) at 21.4809 81.2049 41.1357 in (null):E-9999 (7) other bump:2.26006 Ang CB(21) at 20.507 80.222 39.852 in (null):P-9999 (4) and CG(42) at 22.3028 81.5928 39.9139 in (null):E-9999 (7) neighbor-bump: 2.28077 Ang CG2(30) at 23.5819 77.327 34.464 in (null):I-9999 (5) and N(34) at 23.983 79.105 35.835 in (null):A-9999 (6) self-bump: 1.35002 Ang CA(27) at 21.807 78.033 35.912 in (null):I-9999 (5) and CB(28) at 22.4519 76.9644 35.3975 in (null):I-9999 (5) Number of specific fragments= 1 total=3651 # 1gt7A.481.264 read from T0147_twice.t2k.frag # found chain 1gt7A in template set T0147_twice 481 :MAPIAEFAD 1gt7A 265 :VTPLASALA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=3652 # 1asx.481.114 read from T0147_twice.t2k.frag # found chain 1asx in template set T0147_twice 481 :MAPIAEFAD 1asx 115 :AKIVTDLDD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06798 Ang CD1(27) at -12.9938 28.422 41.5693 in (null):I-9999 (4) and CA(69) at -12.48 25.499 42.347 in (null):G-9999 (10) other bump:2.33726 Ang CG2(26) at -10.4304 29.8152 42.8234 in (null):I-9999 (4) and O(42) at -8.598 28.439 43.283 in (null):E-9999 (6) Number of specific fragments= 1 total=3653 # 1ass.481.114 read from T0147_twice.t2k.frag # found chain 1ass in template set T0147_twice 481 :MAPIAEFAD 1ass 115 :AKIVTDLDD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.69885 Ang CG2(26) at 35.2854 12.9182 33.754 in (null):I-9999 (4) and N(30) at 36.872 15.021 34.341 in (null):A-9999 (5) Number of specific fragments= 1 total=3654 # 1php.481.384 read from T0147_twice.t2k.frag # found chain 1php in training set T0147_twice 481 :MAPIAEFAD 1php 385 :LPGVVALED Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.89508 Ang O(20) at 40.863 -8.239 18.796 in (null):P-9999 (3) and CE1(50) at 42.0933 -7.08419 17.9334 in (null):F-9999 (7) other bump:2.89138 Ang C(21) at 40.539 -8.403 19.984 in (null):P-9999 (3) and CE1(50) at 42.0933 -7.08419 17.9334 in (null):F-9999 (7) other bump:2.25385 Ang O(20) at 40.863 -8.239 18.796 in (null):P-9999 (3) and CD1(48) at 42.7092 -8.28223 17.5039 in (null):F-9999 (7) Number of specific fragments= 1 total=3655 # 2scuA.481.269 read from T0147_twice.t2k.frag # found chain 2scuA in template set T0147_twice 481 :MAPIAEFAD 2scuA 270 :VKTVRSLAD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91875 Ang CD1(27) at 46.3509 74.847 83.4373 in (null):I-9999 (4) and CA(69) at 45.555 77.415 82.301 in (null):G-9999 (10) other bump:2.88288 Ang C(9) at 55.605 71.942 81.998 in (null):M-9999 (1) and CD(19) at 54.0289 70.7982 84.1237 in (null):P-9999 (3) other bump:2.16004 Ang O(8) at 55.821 71.397 83.077 in (null):M-9999 (1) and CD(19) at 54.0289 70.7982 84.1237 in (null):P-9999 (3) Number of specific fragments= 1 total=3656 # 1ea5A.481.481 read from T0147_twice.t2k.frag # found chain 1ea5A in training set T0147_twice 481 :MAPIAEFAD 1ea5A 482 :PNEPHSQES Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37697 Ang CA(16) at 20.375 78.781 39.36 in (null):P-9999 (3) and OE2(41) at 20.4332 80.5252 40.9738 in (null):E-9999 (6) other bump:1.16438 Ang CB(17) at 20.507 80.222 39.852 in (null):P-9999 (3) and OE2(41) at 20.4332 80.5252 40.9738 in (null):E-9999 (6) other bump:1.21713 Ang CG(18) at 19.3 80.747 40.589 in (null):P-9999 (3) and OE2(41) at 20.4332 80.5252 40.9738 in (null):E-9999 (6) other bump:2.68394 Ang CD(19) at 18.174 81.103 39.645 in (null):P-9999 (3) and OE2(41) at 20.4332 80.5252 40.9738 in (null):E-9999 (6) other bump:3.20178 Ang CA(16) at 20.375 78.781 39.36 in (null):P-9999 (3) and CD(39) at 21.4809 81.2049 41.1357 in (null):E-9999 (6) other bump:1.88745 Ang CB(17) at 20.507 80.222 39.852 in (null):P-9999 (3) and CD(39) at 21.4809 81.2049 41.1357 in (null):E-9999 (6) other bump:2.29452 Ang CG(18) at 19.3 80.747 40.589 in (null):P-9999 (3) and CD(39) at 21.4809 81.2049 41.1357 in (null):E-9999 (6) other bump:2.26006 Ang CB(17) at 20.507 80.222 39.852 in (null):P-9999 (3) and CG(38) at 22.3028 81.5928 39.9139 in (null):E-9999 (6) neighbor-bump: 2.28077 Ang CG2(26) at 23.5819 77.327 34.464 in (null):I-9999 (4) and N(30) at 23.983 79.105 35.835 in (null):A-9999 (5) self-bump: 1.35002 Ang CA(23) at 21.807 78.033 35.912 in (null):I-9999 (4) and CB(24) at 22.4519 76.9644 35.3975 in (null):I-9999 (4) Number of specific fragments= 1 total=3657 # command:# Prefix for input files set to # command:CPU_time= 572590 msec, elapsed time= 696479 msec) # command:# Setting InsertAlignment to 0.1 # Setting ClashingRotamer to 0.5 # Setting InsertFragment to 1 # Setting CrossAndInsert to 1 # Setting TwoFragment to 1 # Setting InsertSpecificFragment to 0.5 # Setting ReduceBreak to 5 # Setting CloseGap to 0.01 # Setting ReduceClash to 1 # Setting InsertSSBond to 0 # Initial Method pseudocounts set to # InsertAlignment 0.1 # InsertSpecificFragment 0.5 # InsertFragment 1 # TwoFragment 1 # CrossOver 0.05 # CrossAndInsert 1 # ReduceClash 1 # OneRotamer 0 # ClashingRotamer 0.5 # ReduceBreak 5 # CloseGap 0.01 # ReduceConstraint 0.2 # InsertSSBond 0 # ImproveSSBond 0.2 # command:# naming current conformation T0147_twice.try1 # command:# OptConform to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.2 * wet6.5(6.5, /log(length)) + 1 * dry6.5(6.5) + 1 * dry8(8) + 1 * dry12(12) + 0 * radius_norm + 0.2 * radius_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 5 * break + 0.01 * constraints + 1 * alpha + 1 * alpha_prev + 1 * contact_order ) # Will do 20 iterations of optimization # iteration 0 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 22.9701 cost/residue, 2364 clashes 0.583383 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 2 ## InsertFragment 4 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 17 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 2: best score T0147_twice.try1 22.5838 cost/residue, 2220 clashes 0.585859 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 2 ## InsertFragment 7 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 33 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 3: best score T0147_twice.try1 22.4192 cost/residue, 2046 clashes 0.621608 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 14 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 47 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 4: best score T0147_twice.try1 22.3058 cost/residue, 1993 clashes 0.625733 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 16 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 61 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 5: best score T0147_twice.try1 22.2044 cost/residue, 1928 clashes 0.544622 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 20 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 73 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 6: best score T0147_twice.try1 22.1506 cost/residue, 1950 clashes 0.558333 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 21 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 92 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 7: best score T0147_twice.try1 21.9104 cost/residue, 1632 clashes 0.690459 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 8 ## InsertFragment 23 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 105 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 8: best score T0147_twice.try1 21.7483 cost/residue, 2006 clashes 0.477289 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 31 ## TwoFragment 16 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 115 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 9: best score T0147_twice.try1 21.4517 cost/residue, 2051 clashes 0.401637 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 38 ## TwoFragment 17 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 128 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 10: best score T0147_twice.try1 21.4217 cost/residue, 1996 clashes 0.433582 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 41 ## TwoFragment 17 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 145 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 11: best score T0147_twice.try1 21.1986 cost/residue, 1678 clashes 0.560457 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 47 ## TwoFragment 17 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 154 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 12: best score T0147_twice.try1 21.1913 cost/residue, 1830 clashes 0.476911 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 51 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 11 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 164 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 13: best score T0147_twice.try1 21.1002 cost/residue, 1706 clashes 0.564744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 55 ## TwoFragment 20 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 176 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 14: best score T0147_twice.try1 20.8665 cost/residue, 1643 clashes 0.544991 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 60 ## TwoFragment 22 ## CrossOver 0 ## CrossAndInsert 15 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 185 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 15: best score T0147_twice.try1 20.7422 cost/residue, 1576 clashes 0.554322 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 65 ## TwoFragment 22 ## CrossOver 1 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 195 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 16: best score T0147_twice.try1 20.5562 cost/residue, 1633 clashes 0.487922 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 69 ## TwoFragment 22 ## CrossOver 1 ## CrossAndInsert 18 ## ReduceClash 86 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 205 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 17: best score T0147_twice.try1 20.504 cost/residue, 1676 clashes 0.524091 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 71 ## TwoFragment 24 ## CrossOver 1 ## CrossAndInsert 19 ## ReduceClash 93 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 217 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 18: best score T0147_twice.try1 20.4533 cost/residue, 1577 clashes 0.523782 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 76 ## TwoFragment 26 ## CrossOver 2 ## CrossAndInsert 19 ## ReduceClash 97 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 226 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 19: best score T0147_twice.try1 20.4409 cost/residue, 1675 clashes 0.480116 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 84 ## TwoFragment 28 ## CrossOver 2 ## CrossAndInsert 20 ## ReduceClash 103 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 233 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 20: best score T0147_twice.try1 20.4224 cost/residue, 1673 clashes 0.487069 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 89 ## TwoFragment 28 ## CrossOver 2 ## CrossAndInsert 21 ## ReduceClash 112 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 241 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # iteration 1 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 23.2636 cost/residue, 2266 clashes 0.663281 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 1 ## InsertFragment 2 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 0 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 18 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 2: best score T0147_twice.try1 22.1175 cost/residue, 2019 clashes 0.302129 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 3 ## InsertFragment 10 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 8 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 33 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 3: best score T0147_twice.try1 21.408 cost/residue, 1760 clashes 0.131416 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 16 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 47 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 4: best score T0147_twice.try1 21.3516 cost/residue, 1769 clashes 0.131416 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 8 ## InsertFragment 23 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 57 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 5: best score T0147_twice.try1 20.8823 cost/residue, 1824 clashes 0.131416 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 28 ## TwoFragment 23 ## CrossOver 0 ## CrossAndInsert 16 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 66 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 6: best score T0147_twice.try1 20.5944 cost/residue, 1406 clashes 0.134647 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 32 ## TwoFragment 25 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 70 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 7: best score T0147_twice.try1 20.306 cost/residue, 1579 clashes 0.26807 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 18 ## InsertFragment 41 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 24 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 72 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 8: best score T0147_twice.try1 19.9746 cost/residue, 1725 clashes 0.117332 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 19 ## InsertFragment 48 ## TwoFragment 28 ## CrossOver 1 ## CrossAndInsert 27 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 81 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 9: best score T0147_twice.try1 19.3897 cost/residue, 1434 clashes 0.120563 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 22 ## InsertFragment 51 ## TwoFragment 33 ## CrossOver 3 ## CrossAndInsert 29 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 85 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 10: best score T0147_twice.try1 19.3205 cost/residue, 1407 clashes 0.120563 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 22 ## InsertFragment 56 ## TwoFragment 36 ## CrossOver 3 ## CrossAndInsert 36 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 87 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 11: best score T0147_twice.try1 19.3205 cost/residue, 1407 clashes 0.120563 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 23 ## InsertFragment 61 ## TwoFragment 37 ## CrossOver 4 ## CrossAndInsert 42 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 91 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 12: best score T0147_twice.try1 19.0612 cost/residue, 1615 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 23 ## InsertFragment 74 ## TwoFragment 38 ## CrossOver 4 ## CrossAndInsert 43 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 94 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 13: best score T0147_twice.try1 19.0146 cost/residue, 1596 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 23 ## InsertFragment 78 ## TwoFragment 42 ## CrossOver 4 ## CrossAndInsert 47 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 102 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 14: best score T0147_twice.try1 18.4455 cost/residue, 1574 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 25 ## InsertFragment 82 ## TwoFragment 45 ## CrossOver 4 ## CrossAndInsert 51 ## ReduceClash 60 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 105 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 15: best score T0147_twice.try1 18.2944 cost/residue, 1549 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 27 ## InsertFragment 84 ## TwoFragment 47 ## CrossOver 4 ## CrossAndInsert 57 ## ReduceClash 65 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 110 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 12 # generation 16: best score T0147_twice.try1 17.9705 cost/residue, 1316 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 27 ## InsertFragment 92 ## TwoFragment 48 ## CrossOver 4 ## CrossAndInsert 64 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 112 ## CloseGap 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 13 # generation 17: best score T0147_twice.try1 17.9705 cost/residue, 1316 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 28 ## InsertFragment 98 ## TwoFragment 49 ## CrossOver 4 ## CrossAndInsert 70 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 112 ## CloseGap 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 13 # generation 18: best score T0147_twice.try1 17.9643 cost/residue, 1392 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 29 ## InsertFragment 108 ## TwoFragment 51 ## CrossOver 4 ## CrossAndInsert 75 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 112 ## CloseGap 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 13 # generation 19: best score T0147_twice.try1 17.9013 cost/residue, 1420 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 29 ## InsertFragment 117 ## TwoFragment 51 ## CrossOver 7 ## CrossAndInsert 80 ## ReduceClash 82 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 112 ## CloseGap 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 14 # generation 20: best score T0147_twice.try1 17.8777 cost/residue, 1307 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 128 ## TwoFragment 52 ## CrossOver 7 ## CrossAndInsert 80 ## ReduceClash 87 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 113 ## CloseGap 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 15 # iteration 2 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 23.2702 cost/residue, 2289 clashes 0.656526 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 2 ## InsertFragment 3 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 23 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score T0147_twice.try1 22.789 cost/residue, 2131 clashes 0.610101 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 9 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 32 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 3: best score T0147_twice.try1 22.4086 cost/residue, 1920 clashes 0.730795 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 16 ## TwoFragment 7 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 47 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 4: best score T0147_twice.try1 22.0376 cost/residue, 1704 clashes 0.539917 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 21 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 62 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 5: best score T0147_twice.try1 21.941 cost/residue, 1861 clashes 0.678423 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 25 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 77 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 6: best score T0147_twice.try1 21.7004 cost/residue, 1866 clashes 0.513482 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 28 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 86 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 7: best score T0147_twice.try1 21.1763 cost/residue, 1531 clashes 0.587052 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 37 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 98 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 8: best score T0147_twice.try1 20.9808 cost/residue, 1573 clashes 0.55771 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 42 ## TwoFragment 17 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 108 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 9: best score T0147_twice.try1 20.9018 cost/residue, 1614 clashes 0.55771 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 45 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 122 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 10: best score T0147_twice.try1 20.7227 cost/residue, 1455 clashes 0.546769 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 50 ## TwoFragment 22 ## CrossOver 1 ## CrossAndInsert 7 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 131 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 11: best score T0147_twice.try1 20.7227 cost/residue, 1455 clashes 0.546769 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 52 ## TwoFragment 22 ## CrossOver 2 ## CrossAndInsert 10 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 142 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 12: best score T0147_twice.try1 20.6431 cost/residue, 1418 clashes 0.545941 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 56 ## TwoFragment 23 ## CrossOver 2 ## CrossAndInsert 10 ## ReduceClash 63 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 153 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 13: best score T0147_twice.try1 20.5946 cost/residue, 1389 clashes 0.540714 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 62 ## TwoFragment 24 ## CrossOver 2 ## CrossAndInsert 10 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 160 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 14: best score T0147_twice.try1 20.3201 cost/residue, 1513 clashes 0.540714 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 23 ## InsertFragment 65 ## TwoFragment 25 ## CrossOver 2 ## CrossAndInsert 11 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 171 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 15: best score T0147_twice.try1 20.2255 cost/residue, 1444 clashes 0.521728 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 25 ## InsertFragment 67 ## TwoFragment 26 ## CrossOver 2 ## CrossAndInsert 11 ## ReduceClash 81 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 184 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 16: best score T0147_twice.try1 20.2255 cost/residue, 1444 clashes 0.521728 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 25 ## InsertFragment 71 ## TwoFragment 27 ## CrossOver 2 ## CrossAndInsert 13 ## ReduceClash 86 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 196 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 17: best score T0147_twice.try1 20.0329 cost/residue, 1487 clashes 0.516384 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 26 ## InsertFragment 75 ## TwoFragment 27 ## CrossOver 2 ## CrossAndInsert 13 ## ReduceClash 96 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 203 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 18: best score T0147_twice.try1 20.0281 cost/residue, 1482 clashes 0.518848 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 26 ## InsertFragment 79 ## TwoFragment 29 ## CrossOver 2 ## CrossAndInsert 13 ## ReduceClash 101 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 215 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 19: best score T0147_twice.try1 19.8255 cost/residue, 1392 clashes 0.510572 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 26 ## InsertFragment 83 ## TwoFragment 30 ## CrossOver 2 ## CrossAndInsert 14 ## ReduceClash 103 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 232 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 11 # generation 20: best score T0147_twice.try1 19.8255 cost/residue, 1392 clashes 0.510572 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 27 ## InsertFragment 85 ## TwoFragment 31 ## CrossOver 2 ## CrossAndInsert 16 ## ReduceClash 109 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 243 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 12 # iteration 3 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 22.4886 cost/residue, 2114 clashes 0.666074 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 6 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 7 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score T0147_twice.try1 22.2478 cost/residue, 2095 clashes 0.621397 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 10 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 8 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 23 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 3: best score T0147_twice.try1 22.1934 cost/residue, 2157 clashes 0.590279 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 12 ## TwoFragment 7 ## CrossOver 1 ## CrossAndInsert 10 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 37 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 4: best score T0147_twice.try1 21.8583 cost/residue, 1870 clashes 0.607657 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 16 ## TwoFragment 8 ## CrossOver 2 ## CrossAndInsert 13 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 48 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 5: best score T0147_twice.try1 21.6041 cost/residue, 1926 clashes 0.521569 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 22 ## TwoFragment 10 ## CrossOver 2 ## CrossAndInsert 13 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 61 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 6: best score T0147_twice.try1 21.5829 cost/residue, 1937 clashes 0.562878 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 25 ## TwoFragment 10 ## CrossOver 3 ## CrossAndInsert 15 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 74 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 7: best score T0147_twice.try1 21.4535 cost/residue, 1915 clashes 0.562627 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 30 ## TwoFragment 11 ## CrossOver 3 ## CrossAndInsert 17 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 84 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 8: best score T0147_twice.try1 21.0168 cost/residue, 1944 clashes 0.3786 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 36 ## TwoFragment 13 ## CrossOver 4 ## CrossAndInsert 18 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 92 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 9: best score T0147_twice.try1 20.871 cost/residue, 1772 clashes 0.557662 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 42 ## TwoFragment 14 ## CrossOver 4 ## CrossAndInsert 20 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 105 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 10: best score T0147_twice.try1 20.7175 cost/residue, 1917 clashes 0.349227 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 50 ## TwoFragment 15 ## CrossOver 4 ## CrossAndInsert 20 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 113 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 11: best score T0147_twice.try1 20.6911 cost/residue, 1737 clashes 0.534971 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 24 ## InsertFragment 53 ## TwoFragment 15 ## CrossOver 4 ## CrossAndInsert 20 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 121 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 12: best score T0147_twice.try1 20.5922 cost/residue, 1833 clashes 0.368956 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 25 ## InsertFragment 57 ## TwoFragment 16 ## CrossOver 4 ## CrossAndInsert 20 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 134 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 13: best score T0147_twice.try1 20.5922 cost/residue, 1833 clashes 0.368956 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 27 ## InsertFragment 61 ## TwoFragment 17 ## CrossOver 4 ## CrossAndInsert 22 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 141 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 11 # generation 14: best score T0147_twice.try1 20.4797 cost/residue, 1745 clashes 0.349285 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 30 ## InsertFragment 66 ## TwoFragment 19 ## CrossOver 4 ## CrossAndInsert 22 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 153 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 12 # generation 15: best score T0147_twice.try1 20.3869 cost/residue, 1965 clashes 0.511336 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 32 ## InsertFragment 70 ## TwoFragment 20 ## CrossOver 4 ## CrossAndInsert 24 ## ReduceClash 60 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 162 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 13 # generation 16: best score T0147_twice.try1 20.2308 cost/residue, 1715 clashes 0.402626 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 21 ## CrossOver 4 ## CrossAndInsert 26 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 174 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 14 # generation 17: best score T0147_twice.try1 20.223 cost/residue, 1958 clashes 0.334292 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 33 ## InsertFragment 81 ## TwoFragment 22 ## CrossOver 4 ## CrossAndInsert 29 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 185 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 15 # generation 18: best score T0147_twice.try1 20.0207 cost/residue, 1702 clashes 0.391755 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 34 ## InsertFragment 86 ## TwoFragment 22 ## CrossOver 4 ## CrossAndInsert 31 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 197 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 15 # generation 19: best score T0147_twice.try1 19.9398 cost/residue, 1483 clashes 0.246728 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 36 ## InsertFragment 91 ## TwoFragment 22 ## CrossOver 4 ## CrossAndInsert 32 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 210 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 17 # generation 20: best score T0147_twice.try1 19.644 cost/residue, 1548 clashes 0.357927 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 38 ## InsertFragment 95 ## TwoFragment 23 ## CrossOver 4 ## CrossAndInsert 32 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 228 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 18 # iteration 4 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 23.118 cost/residue, 2142 clashes 0.618289 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 1 ## InsertFragment 5 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 17 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score T0147_twice.try1 22.6893 cost/residue, 2043 clashes 0.595298 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 2 ## InsertFragment 8 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 29 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 3: best score T0147_twice.try1 22.6464 cost/residue, 2043 clashes 0.595298 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 12 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 41 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 4: best score T0147_twice.try1 22.2853 cost/residue, 2160 clashes 0.445553 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 15 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 52 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 5: best score T0147_twice.try1 21.9199 cost/residue, 1810 clashes 0.513995 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 19 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 66 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 6: best score T0147_twice.try1 21.6432 cost/residue, 2095 clashes 0.462723 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 26 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 77 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 7: best score T0147_twice.try1 21.6241 cost/residue, 2093 clashes 0.462723 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 33 ## TwoFragment 16 ## CrossOver 1 ## CrossAndInsert 11 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 84 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 8: best score T0147_twice.try1 21.2715 cost/residue, 1941 clashes 0.462723 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 39 ## TwoFragment 18 ## CrossOver 1 ## CrossAndInsert 12 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 96 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 9: best score T0147_twice.try1 21.2715 cost/residue, 1941 clashes 0.462723 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 44 ## TwoFragment 19 ## CrossOver 1 ## CrossAndInsert 18 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 102 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 10: best score T0147_twice.try1 20.926 cost/residue, 1863 clashes 0.305912 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 51 ## TwoFragment 24 ## CrossOver 1 ## CrossAndInsert 19 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 111 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 11: best score T0147_twice.try1 20.4439 cost/residue, 1793 clashes 0.259147 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 56 ## TwoFragment 25 ## CrossOver 2 ## CrossAndInsert 21 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 120 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 12: best score T0147_twice.try1 20.4303 cost/residue, 1801 clashes 0.256239 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 61 ## TwoFragment 26 ## CrossOver 3 ## CrossAndInsert 22 ## ReduceClash 59 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 126 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 13: best score T0147_twice.try1 20.3747 cost/residue, 1751 clashes 0.273438 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 66 ## TwoFragment 29 ## CrossOver 3 ## CrossAndInsert 24 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 136 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 14: best score T0147_twice.try1 20.3185 cost/residue, 1664 clashes 0.256239 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 74 ## TwoFragment 29 ## CrossOver 3 ## CrossAndInsert 25 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 142 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 15: best score T0147_twice.try1 20.0355 cost/residue, 1592 clashes 0.256239 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 18 ## InsertFragment 82 ## TwoFragment 29 ## CrossOver 3 ## CrossAndInsert 25 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 152 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 16: best score T0147_twice.try1 20.0355 cost/residue, 1592 clashes 0.256239 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 86 ## TwoFragment 30 ## CrossOver 3 ## CrossAndInsert 27 ## ReduceClash 86 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 159 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 17: best score T0147_twice.try1 20.0137 cost/residue, 1585 clashes 0.254396 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 91 ## TwoFragment 32 ## CrossOver 3 ## CrossAndInsert 27 ## ReduceClash 90 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 173 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 18: best score T0147_twice.try1 19.733 cost/residue, 1558 clashes 0.258933 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 22 ## InsertFragment 97 ## TwoFragment 32 ## CrossOver 3 ## CrossAndInsert 27 ## ReduceClash 97 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 181 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 19: best score T0147_twice.try1 19.7329 cost/residue, 1558 clashes 0.258912 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 22 ## InsertFragment 102 ## TwoFragment 34 ## CrossOver 3 ## CrossAndInsert 27 ## ReduceClash 106 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 189 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 20: best score T0147_twice.try1 19.5765 cost/residue, 1580 clashes 0.257482 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 22 ## InsertFragment 111 ## TwoFragment 35 ## CrossOver 3 ## CrossAndInsert 28 ## ReduceClash 108 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 200 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # iteration 5 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 22.9701 cost/residue, 2364 clashes 0.583383 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 1 ## InsertFragment 3 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 22 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 2: best score T0147_twice.try1 22.8022 cost/residue, 2251 clashes 0.660401 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 1 ## InsertFragment 13 ## TwoFragment 9 ## CrossOver 1 ## CrossAndInsert 2 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 34 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 3: best score T0147_twice.try1 22.5182 cost/residue, 2202 clashes 0.586806 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 2 ## InsertFragment 17 ## TwoFragment 10 ## CrossOver 1 ## CrossAndInsert 4 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 52 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 4: best score T0147_twice.try1 22.2737 cost/residue, 2295 clashes 0.619845 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 18 ## TwoFragment 12 ## CrossOver 1 ## CrossAndInsert 5 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 65 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 5: best score T0147_twice.try1 21.3766 cost/residue, 2072 clashes 0.58744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 21 ## TwoFragment 13 ## CrossOver 1 ## CrossAndInsert 6 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 79 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 6: best score T0147_twice.try1 21.3766 cost/residue, 2072 clashes 0.58744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 24 ## TwoFragment 13 ## CrossOver 1 ## CrossAndInsert 8 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 96 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 7: best score T0147_twice.try1 21.0771 cost/residue, 1678 clashes 0.349758 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 30 ## TwoFragment 15 ## CrossOver 1 ## CrossAndInsert 10 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 109 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 8: best score T0147_twice.try1 20.9292 cost/residue, 1935 clashes 0.667446 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 9 ## InsertFragment 34 ## TwoFragment 15 ## CrossOver 1 ## CrossAndInsert 12 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 125 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 9: best score T0147_twice.try1 20.5936 cost/residue, 1919 clashes 0.601384 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 11 ## InsertFragment 35 ## TwoFragment 16 ## CrossOver 1 ## CrossAndInsert 12 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 144 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 10: best score T0147_twice.try1 20.5936 cost/residue, 1919 clashes 0.601384 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 11 ## InsertFragment 40 ## TwoFragment 16 ## CrossOver 1 ## CrossAndInsert 13 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 157 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 11: best score T0147_twice.try1 20.3003 cost/residue, 1807 clashes 0.554193 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 11 ## InsertFragment 45 ## TwoFragment 17 ## CrossOver 1 ## CrossAndInsert 13 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 171 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 12: best score T0147_twice.try1 20.2526 cost/residue, 1807 clashes 0.543771 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 11 ## InsertFragment 49 ## TwoFragment 17 ## CrossOver 1 ## CrossAndInsert 13 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 185 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 13: best score T0147_twice.try1 20.1447 cost/residue, 1762 clashes 0.529427 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 11 ## InsertFragment 52 ## TwoFragment 17 ## CrossOver 1 ## CrossAndInsert 13 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 200 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 14: best score T0147_twice.try1 20.0076 cost/residue, 1742 clashes 0.503605 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 12 ## InsertFragment 59 ## TwoFragment 19 ## CrossOver 1 ## CrossAndInsert 13 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 209 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 15: best score T0147_twice.try1 19.9876 cost/residue, 1726 clashes 0.504115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 14 ## InsertFragment 64 ## TwoFragment 21 ## CrossOver 1 ## CrossAndInsert 15 ## ReduceClash 63 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 216 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 16: best score T0147_twice.try1 19.9361 cost/residue, 1742 clashes 0.492958 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 15 ## InsertFragment 67 ## TwoFragment 23 ## CrossOver 1 ## CrossAndInsert 15 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 229 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 17: best score T0147_twice.try1 19.817 cost/residue, 1747 clashes 0.507904 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 15 ## InsertFragment 67 ## TwoFragment 24 ## CrossOver 1 ## CrossAndInsert 16 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 244 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 18: best score T0147_twice.try1 19.8019 cost/residue, 1752 clashes 0.507904 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 15 ## InsertFragment 73 ## TwoFragment 28 ## CrossOver 1 ## CrossAndInsert 16 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 254 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 19: best score T0147_twice.try1 19.7467 cost/residue, 1755 clashes 0.444149 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 15 ## InsertFragment 76 ## TwoFragment 29 ## CrossOver 1 ## CrossAndInsert 16 ## ReduceClash 86 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 265 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 20: best score T0147_twice.try1 19.5591 cost/residue, 1772 clashes 0.418365 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 17 ## InsertFragment 84 ## TwoFragment 30 ## CrossOver 1 ## CrossAndInsert 16 ## ReduceClash 94 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 271 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # iteration 6 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 23.342 cost/residue, 2321 clashes 0.666074 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 6 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 8 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score T0147_twice.try1 22.7838 cost/residue, 2083 clashes 0.621568 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 17 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 17 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 3: best score T0147_twice.try1 22.7325 cost/residue, 1959 clashes 0.645924 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 24 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 8 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 28 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 4: best score T0147_twice.try1 22.1999 cost/residue, 1802 clashes 0.64556 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 34 ## TwoFragment 7 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 37 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 5: best score T0147_twice.try1 21.6468 cost/residue, 1621 clashes 0.589587 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 37 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 49 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 6: best score T0147_twice.try1 21.5478 cost/residue, 1749 clashes 0.568536 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 43 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 15 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 60 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 7: best score T0147_twice.try1 21.3607 cost/residue, 1718 clashes 0.584842 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 48 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 16 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 73 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 8: best score T0147_twice.try1 21.3607 cost/residue, 1718 clashes 0.584842 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 56 ## TwoFragment 16 ## CrossOver 0 ## CrossAndInsert 17 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 83 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 9: best score T0147_twice.try1 21.0418 cost/residue, 1495 clashes 0.491983 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 1 ## CrossAndInsert 17 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 94 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 10: best score T0147_twice.try1 21.0347 cost/residue, 1627 clashes 0.502993 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 63 ## TwoFragment 20 ## CrossOver 1 ## CrossAndInsert 18 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 106 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 11: best score T0147_twice.try1 20.9281 cost/residue, 1703 clashes 0.524628 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 69 ## TwoFragment 22 ## CrossOver 1 ## CrossAndInsert 20 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 116 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 12: best score T0147_twice.try1 20.4859 cost/residue, 1610 clashes 0.503931 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 76 ## TwoFragment 25 ## CrossOver 1 ## CrossAndInsert 21 ## ReduceClash 59 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 126 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 13: best score T0147_twice.try1 20.4859 cost/residue, 1610 clashes 0.503931 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 86 ## TwoFragment 25 ## CrossOver 1 ## CrossAndInsert 23 ## ReduceClash 61 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 135 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 14: best score T0147_twice.try1 20.2695 cost/residue, 1650 clashes 0.454806 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 90 ## TwoFragment 26 ## CrossOver 1 ## CrossAndInsert 23 ## ReduceClash 65 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 149 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 15: best score T0147_twice.try1 20.2596 cost/residue, 1643 clashes 0.454806 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 94 ## TwoFragment 26 ## CrossOver 2 ## CrossAndInsert 24 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 163 ## CloseGap 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 16: best score T0147_twice.try1 20.19 cost/residue, 1580 clashes 0.456271 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 18 ## InsertFragment 98 ## TwoFragment 28 ## CrossOver 3 ## CrossAndInsert 25 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 174 ## CloseGap 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 17: best score T0147_twice.try1 20.0226 cost/residue, 1640 clashes 0.406202 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 18 ## InsertFragment 102 ## TwoFragment 29 ## CrossOver 3 ## CrossAndInsert 27 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 184 ## CloseGap 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 18: best score T0147_twice.try1 19.9418 cost/residue, 1593 clashes 0.431836 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 18 ## InsertFragment 106 ## TwoFragment 30 ## CrossOver 3 ## CrossAndInsert 28 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 197 ## CloseGap 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 19: best score T0147_twice.try1 19.9418 cost/residue, 1593 clashes 0.431836 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 111 ## TwoFragment 32 ## CrossOver 3 ## CrossAndInsert 30 ## ReduceClash 82 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 210 ## CloseGap 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 20: best score T0147_twice.try1 19.7871 cost/residue, 1742 clashes 0.433327 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 116 ## TwoFragment 33 ## CrossOver 3 ## CrossAndInsert 31 ## ReduceClash 86 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 222 ## CloseGap 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # iteration 7 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 23.0994 cost/residue, 2008 clashes 0.699601 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 6 ## TwoFragment 7 ## CrossOver 1 ## CrossAndInsert 3 ## ReduceClash 1 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 10 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score T0147_twice.try1 22.5452 cost/residue, 1944 clashes 0.583365 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 13 ## TwoFragment 8 ## CrossOver 1 ## CrossAndInsert 5 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 24 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 3: best score T0147_twice.try1 22.2645 cost/residue, 1764 clashes 0.573321 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 17 ## TwoFragment 11 ## CrossOver 1 ## CrossAndInsert 7 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 39 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 4: best score T0147_twice.try1 22.2066 cost/residue, 1763 clashes 0.559141 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 23 ## TwoFragment 11 ## CrossOver 1 ## CrossAndInsert 8 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 53 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 5: best score T0147_twice.try1 22.0042 cost/residue, 1891 clashes 0.535924 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 24 ## TwoFragment 11 ## CrossOver 1 ## CrossAndInsert 9 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 67 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 6: best score T0147_twice.try1 21.6424 cost/residue, 1686 clashes 0.579626 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 29 ## TwoFragment 15 ## CrossOver 1 ## CrossAndInsert 10 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 77 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 7: best score T0147_twice.try1 20.9922 cost/residue, 1623 clashes 0.437389 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 18 ## InsertFragment 31 ## TwoFragment 18 ## CrossOver 1 ## CrossAndInsert 13 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 88 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 8: best score T0147_twice.try1 20.8312 cost/residue, 1624 clashes 0.40741 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 21 ## InsertFragment 36 ## TwoFragment 22 ## CrossOver 2 ## CrossAndInsert 15 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 97 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 9: best score T0147_twice.try1 20.7902 cost/residue, 1565 clashes 0.40741 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 21 ## InsertFragment 45 ## TwoFragment 22 ## CrossOver 2 ## CrossAndInsert 18 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 106 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 10: best score T0147_twice.try1 20.555 cost/residue, 1620 clashes 0.40741 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 22 ## InsertFragment 49 ## TwoFragment 23 ## CrossOver 2 ## CrossAndInsert 20 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 121 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 11: best score T0147_twice.try1 20.3504 cost/residue, 1553 clashes 0.411188 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 23 ## InsertFragment 53 ## TwoFragment 26 ## CrossOver 2 ## CrossAndInsert 23 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 131 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 12: best score T0147_twice.try1 19.8856 cost/residue, 1613 clashes 0.265956 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 27 ## InsertFragment 57 ## TwoFragment 28 ## CrossOver 2 ## CrossAndInsert 24 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 142 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 13: best score T0147_twice.try1 19.8601 cost/residue, 1615 clashes 0.268111 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 59 ## TwoFragment 30 ## CrossOver 2 ## CrossAndInsert 27 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 152 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 14: best score T0147_twice.try1 19.7927 cost/residue, 1552 clashes 0.265956 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 30 ## InsertFragment 63 ## TwoFragment 31 ## CrossOver 3 ## CrossAndInsert 29 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 166 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 15: best score T0147_twice.try1 19.5218 cost/residue, 1616 clashes 0.21179 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 33 ## InsertFragment 67 ## TwoFragment 33 ## CrossOver 3 ## CrossAndInsert 33 ## ReduceClash 58 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 175 ## CloseGap 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 16: best score T0147_twice.try1 19.5218 cost/residue, 1616 clashes 0.21179 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 34 ## InsertFragment 69 ## TwoFragment 34 ## CrossOver 4 ## CrossAndInsert 36 ## ReduceClash 65 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 183 ## CloseGap 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 17: best score T0147_twice.try1 19.464 cost/residue, 1570 clashes 0.217048 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 37 ## InsertFragment 75 ## TwoFragment 35 ## CrossOver 5 ## CrossAndInsert 39 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 188 ## CloseGap 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 18: best score T0147_twice.try1 19.3577 cost/residue, 1614 clashes 0.184647 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 38 ## InsertFragment 82 ## TwoFragment 36 ## CrossOver 5 ## CrossAndInsert 42 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 194 ## CloseGap 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 19: best score T0147_twice.try1 19.3321 cost/residue, 1450 clashes 0.272272 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 85 ## TwoFragment 39 ## CrossOver 6 ## CrossAndInsert 43 ## ReduceClash 82 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 202 ## CloseGap 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 20: best score T0147_twice.try1 19.1639 cost/residue, 1539 clashes 0.184647 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 95 ## TwoFragment 40 ## CrossOver 10 ## CrossAndInsert 44 ## ReduceClash 85 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 206 ## CloseGap 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # iteration 8 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 22.7552 cost/residue, 2157 clashes 0.665217 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 2 ## InsertFragment 6 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 18 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score T0147_twice.try1 22.1341 cost/residue, 2036 clashes 0.590114 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 13 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 30 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score T0147_twice.try1 21.8733 cost/residue, 1940 clashes 0.603198 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 17 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 37 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score T0147_twice.try1 21.8511 cost/residue, 1963 clashes 0.629442 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 25 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 11 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 50 ## CloseGap 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score T0147_twice.try1 21.7048 cost/residue, 1880 clashes 0.637419 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 32 ## TwoFragment 16 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 59 ## CloseGap 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score T0147_twice.try1 21.1508 cost/residue, 1786 clashes 0.4617 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 39 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 65 ## CloseGap 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 7: best score T0147_twice.try1 20.9961 cost/residue, 1994 clashes 0.570097 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 43 ## TwoFragment 21 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 80 ## CloseGap 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 8: best score T0147_twice.try1 20.8383 cost/residue, 1971 clashes 0.553451 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 46 ## TwoFragment 27 ## CrossOver 0 ## CrossAndInsert 15 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 90 ## CloseGap 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 9: best score T0147_twice.try1 20.5728 cost/residue, 1803 clashes 0.4617 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 54 ## TwoFragment 28 ## CrossOver 0 ## CrossAndInsert 15 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 100 ## CloseGap 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 10: best score T0147_twice.try1 20.5344 cost/residue, 1838 clashes 0.432029 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 18 ## InsertFragment 61 ## TwoFragment 30 ## CrossOver 0 ## CrossAndInsert 15 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 109 ## CloseGap 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 11: best score T0147_twice.try1 20.4028 cost/residue, 1747 clashes 0.448515 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 67 ## TwoFragment 31 ## CrossOver 0 ## CrossAndInsert 16 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 117 ## CloseGap 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 12: best score T0147_twice.try1 20.1058 cost/residue, 1729 clashes 0.391052 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 74 ## TwoFragment 35 ## CrossOver 0 ## CrossAndInsert 17 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 126 ## CloseGap 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 13: best score T0147_twice.try1 20.1058 cost/residue, 1729 clashes 0.391052 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 81 ## TwoFragment 36 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 136 ## CloseGap 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 14: best score T0147_twice.try1 20.0585 cost/residue, 1832 clashes 0.384276 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 21 ## InsertFragment 82 ## TwoFragment 36 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 60 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 150 ## CloseGap 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 15: best score T0147_twice.try1 20.0585 cost/residue, 1832 clashes 0.384276 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 22 ## InsertFragment 90 ## TwoFragment 36 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 161 ## CloseGap 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 16: best score T0147_twice.try1 19.8599 cost/residue, 1826 clashes 0.402608 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 23 ## InsertFragment 100 ## TwoFragment 36 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 167 ## CloseGap 20 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 17: best score T0147_twice.try1 19.8377 cost/residue, 1821 clashes 0.400945 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 24 ## InsertFragment 104 ## TwoFragment 36 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 176 ## CloseGap 23 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 18: best score T0147_twice.try1 19.6436 cost/residue, 1670 clashes 0.437539 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 24 ## InsertFragment 108 ## TwoFragment 38 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 185 ## CloseGap 25 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 19: best score T0147_twice.try1 19.6436 cost/residue, 1670 clashes 0.437539 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 25 ## InsertFragment 115 ## TwoFragment 38 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 81 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 194 ## CloseGap 28 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 20: best score T0147_twice.try1 19.6436 cost/residue, 1670 clashes 0.437539 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 25 ## InsertFragment 121 ## TwoFragment 38 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 89 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 199 ## CloseGap 33 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # iteration 9 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 22.8625 cost/residue, 2131 clashes 0.619608 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 1 ## InsertFragment 5 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 0 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 19 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 2: best score T0147_twice.try1 22.8618 cost/residue, 2127 clashes 0.608036 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 1 ## InsertFragment 14 ## TwoFragment 7 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 33 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 3: best score T0147_twice.try1 22.3093 cost/residue, 1902 clashes 0.608036 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 3 ## InsertFragment 21 ## TwoFragment 8 ## CrossOver 1 ## CrossAndInsert 2 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 41 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 4: best score T0147_twice.try1 22.0836 cost/residue, 1785 clashes 0.611467 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 26 ## TwoFragment 9 ## CrossOver 1 ## CrossAndInsert 5 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 54 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 5: best score T0147_twice.try1 21.7385 cost/residue, 1776 clashes 0.540991 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 30 ## TwoFragment 9 ## CrossOver 1 ## CrossAndInsert 9 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 64 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 6: best score T0147_twice.try1 21.4362 cost/residue, 1763 clashes 0.496747 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 34 ## TwoFragment 11 ## CrossOver 1 ## CrossAndInsert 10 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 77 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 7: best score T0147_twice.try1 21.2132 cost/residue, 1681 clashes 0.48821 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 41 ## TwoFragment 13 ## CrossOver 1 ## CrossAndInsert 12 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 88 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 8: best score T0147_twice.try1 21.205 cost/residue, 1744 clashes 0.48821 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 8 ## InsertFragment 46 ## TwoFragment 14 ## CrossOver 1 ## CrossAndInsert 12 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 99 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 9: best score T0147_twice.try1 20.7281 cost/residue, 1667 clashes 0.168498 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 49 ## TwoFragment 16 ## CrossOver 1 ## CrossAndInsert 13 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 110 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 11 # generation 10: best score T0147_twice.try1 20.5599 cost/residue, 1655 clashes 0.168498 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 51 ## TwoFragment 17 ## CrossOver 1 ## CrossAndInsert 14 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 125 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 11 # generation 11: best score T0147_twice.try1 20.384 cost/residue, 1607 clashes 0.167608 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 52 ## TwoFragment 21 ## CrossOver 1 ## CrossAndInsert 14 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 141 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 12 # generation 12: best score T0147_twice.try1 20.2655 cost/residue, 1622 clashes 0.126843 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 56 ## TwoFragment 24 ## CrossOver 1 ## CrossAndInsert 15 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 157 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 14 # generation 13: best score T0147_twice.try1 19.8906 cost/residue, 1596 clashes 0.167608 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 58 ## TwoFragment 28 ## CrossOver 1 ## CrossAndInsert 18 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 167 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 15 # generation 14: best score T0147_twice.try1 19.8906 cost/residue, 1596 clashes 0.167608 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 63 ## TwoFragment 30 ## CrossOver 1 ## CrossAndInsert 18 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 182 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 17 # generation 15: best score T0147_twice.try1 19.8376 cost/residue, 1653 clashes 0.121604 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 70 ## TwoFragment 33 ## CrossOver 1 ## CrossAndInsert 18 ## ReduceClash 61 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 188 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 18 # generation 16: best score T0147_twice.try1 19.6719 cost/residue, 1480 clashes 0.0916458 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 78 ## TwoFragment 34 ## CrossOver 1 ## CrossAndInsert 20 ## ReduceClash 63 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 197 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 20 # generation 17: best score T0147_twice.try1 19.6719 cost/residue, 1480 clashes 0.0916458 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 82 ## TwoFragment 36 ## CrossOver 1 ## CrossAndInsert 24 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 202 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 21 # generation 18: best score T0147_twice.try1 19.5037 cost/residue, 1505 clashes 0.160087 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 86 ## TwoFragment 37 ## CrossOver 1 ## CrossAndInsert 27 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 209 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 22 # generation 19: best score T0147_twice.try1 19.3484 cost/residue, 1309 clashes 0.108681 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 18 ## InsertFragment 87 ## TwoFragment 37 ## CrossOver 2 ## CrossAndInsert 29 ## ReduceClash 84 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 220 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 25 # generation 20: best score T0147_twice.try1 19.3231 cost/residue, 1263 clashes 0.133452 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 18 ## InsertFragment 94 ## TwoFragment 37 ## CrossOver 2 ## CrossAndInsert 31 ## ReduceClash 87 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 233 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 25 # iteration 10 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 22.9373 cost/residue, 2149 clashes 0.666074 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 2 ## InsertFragment 3 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 16 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 2: best score T0147_twice.try1 22.4011 cost/residue, 1982 clashes 0.6114 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 3 ## InsertFragment 8 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 33 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 3: best score T0147_twice.try1 21.6332 cost/residue, 1778 clashes 0.678872 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 15 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 42 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 4: best score T0147_twice.try1 21.1324 cost/residue, 1557 clashes 0.372043 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 17 ## TwoFragment 15 ## CrossOver 1 ## CrossAndInsert 10 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 53 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 5: best score T0147_twice.try1 20.886 cost/residue, 1384 clashes 0.49748 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 17 ## TwoFragment 19 ## CrossOver 1 ## CrossAndInsert 12 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 66 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 6: best score T0147_twice.try1 20.796 cost/residue, 1355 clashes 0.49562 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 22 ## TwoFragment 19 ## CrossOver 1 ## CrossAndInsert 14 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 83 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 7: best score T0147_twice.try1 20.5527 cost/residue, 1403 clashes 0.49562 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 29 ## TwoFragment 20 ## CrossOver 1 ## CrossAndInsert 15 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 92 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 8: best score T0147_twice.try1 20.3176 cost/residue, 1390 clashes 0.458794 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 34 ## TwoFragment 20 ## CrossOver 3 ## CrossAndInsert 18 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 106 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 9: best score T0147_twice.try1 20.3175 cost/residue, 1390 clashes 0.458577 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 41 ## TwoFragment 20 ## CrossOver 3 ## CrossAndInsert 21 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 121 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 10: best score T0147_twice.try1 20.2408 cost/residue, 1336 clashes 0.329072 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 42 ## TwoFragment 21 ## CrossOver 3 ## CrossAndInsert 23 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 142 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 11: best score T0147_twice.try1 20.1021 cost/residue, 1319 clashes 0.307979 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 44 ## TwoFragment 22 ## CrossOver 3 ## CrossAndInsert 24 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 154 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 12: best score T0147_twice.try1 19.9297 cost/residue, 1445 clashes 0.315446 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 49 ## TwoFragment 24 ## CrossOver 3 ## CrossAndInsert 25 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 166 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 11 # generation 13: best score T0147_twice.try1 19.9072 cost/residue, 1440 clashes 0.310047 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 53 ## TwoFragment 24 ## CrossOver 4 ## CrossAndInsert 26 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 176 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 11 # generation 14: best score T0147_twice.try1 19.7722 cost/residue, 1527 clashes 0.290362 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 16 ## InsertFragment 58 ## TwoFragment 24 ## CrossOver 4 ## CrossAndInsert 26 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 190 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 12 # generation 15: best score T0147_twice.try1 18.889 cost/residue, 1500 clashes 0.243399 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 16 ## InsertFragment 59 ## TwoFragment 27 ## CrossOver 4 ## CrossAndInsert 28 ## ReduceClash 59 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 210 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 12 # generation 16: best score T0147_twice.try1 18.889 cost/residue, 1500 clashes 0.243399 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 16 ## InsertFragment 66 ## TwoFragment 27 ## CrossOver 4 ## CrossAndInsert 30 ## ReduceClash 63 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 221 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 12 # generation 17: best score T0147_twice.try1 18.7742 cost/residue, 1449 clashes 0.244737 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 16 ## InsertFragment 70 ## TwoFragment 30 ## CrossOver 4 ## CrossAndInsert 31 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 238 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 12 # generation 18: best score T0147_twice.try1 18.7742 cost/residue, 1449 clashes 0.244737 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 16 ## InsertFragment 76 ## TwoFragment 30 ## CrossOver 4 ## CrossAndInsert 33 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 249 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 13 # generation 19: best score T0147_twice.try1 18.606 cost/residue, 1479 clashes 0.247917 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 17 ## InsertFragment 82 ## TwoFragment 30 ## CrossOver 4 ## CrossAndInsert 34 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 261 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 13 # generation 20: best score T0147_twice.try1 18.606 cost/residue, 1479 clashes 0.247917 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 17 ## InsertFragment 87 ## TwoFragment 30 ## CrossOver 4 ## CrossAndInsert 36 ## ReduceClash 82 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 270 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 15 # iteration 11 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 23.2687 cost/residue, 2354 clashes 0.644072 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 2 ## InsertFragment 6 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 12 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score T0147_twice.try1 22.8815 cost/residue, 2277 clashes 0.579817 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 10 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 26 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 3: best score T0147_twice.try1 22.7292 cost/residue, 2241 clashes 0.548789 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 17 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 39 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 4: best score T0147_twice.try1 22.5154 cost/residue, 2093 clashes 0.547929 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 8 ## InsertFragment 21 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 50 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 5: best score T0147_twice.try1 22.2279 cost/residue, 1868 clashes 0.615076 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 24 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 60 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 6: best score T0147_twice.try1 22.1174 cost/residue, 1836 clashes 0.608725 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 28 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 68 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 7: best score T0147_twice.try1 21.5356 cost/residue, 1724 clashes 0.579597 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 32 ## TwoFragment 16 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 79 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 8: best score T0147_twice.try1 21.5228 cost/residue, 1732 clashes 0.579597 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 39 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 90 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 9: best score T0147_twice.try1 21.2948 cost/residue, 1742 clashes 0.51891 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 44 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 24 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 103 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 10: best score T0147_twice.try1 21.0389 cost/residue, 1552 clashes 0.534085 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 51 ## TwoFragment 20 ## CrossOver 0 ## CrossAndInsert 27 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 113 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 11: best score T0147_twice.try1 20.9386 cost/residue, 1538 clashes 0.51181 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 57 ## TwoFragment 20 ## CrossOver 0 ## CrossAndInsert 32 ## ReduceClash 59 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 124 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 12: best score T0147_twice.try1 20.475 cost/residue, 1571 clashes 0.480925 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 61 ## TwoFragment 22 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 132 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 13: best score T0147_twice.try1 20.475 cost/residue, 1571 clashes 0.480925 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 22 ## InsertFragment 64 ## TwoFragment 23 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 147 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 14: best score T0147_twice.try1 20.475 cost/residue, 1571 clashes 0.480925 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 26 ## InsertFragment 70 ## TwoFragment 23 ## CrossOver 0 ## CrossAndInsert 37 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 157 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 15: best score T0147_twice.try1 20.1749 cost/residue, 1594 clashes 0.507189 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 27 ## InsertFragment 75 ## TwoFragment 24 ## CrossOver 1 ## CrossAndInsert 38 ## ReduceClash 81 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 166 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 16: best score T0147_twice.try1 20.1005 cost/residue, 1572 clashes 0.429168 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 27 ## InsertFragment 80 ## TwoFragment 27 ## CrossOver 1 ## CrossAndInsert 39 ## ReduceClash 89 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 175 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 17: best score T0147_twice.try1 20.0904 cost/residue, 1582 clashes 0.420085 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 28 ## InsertFragment 82 ## TwoFragment 27 ## CrossOver 1 ## CrossAndInsert 40 ## ReduceClash 93 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 194 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 18: best score T0147_twice.try1 20.0105 cost/residue, 1581 clashes 0.437426 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 85 ## TwoFragment 27 ## CrossOver 1 ## CrossAndInsert 42 ## ReduceClash 100 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 205 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 19: best score T0147_twice.try1 19.9995 cost/residue, 1551 clashes 0.453131 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 30 ## InsertFragment 88 ## TwoFragment 27 ## CrossOver 1 ## CrossAndInsert 42 ## ReduceClash 108 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 217 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 20: best score T0147_twice.try1 19.7645 cost/residue, 1513 clashes 0.450352 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 31 ## InsertFragment 94 ## TwoFragment 29 ## CrossOver 1 ## CrossAndInsert 42 ## ReduceClash 116 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 223 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # iteration 12 # best score in initial pool T0147_twice.try1+T0147_twice.t2k.frag:1e19A.372.291 at pool[30] 23.2006 cost/residue, 2280 clashes 0.649612 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1+T0147_twice.t2k.frag:1e19A.372.291 22.5179 cost/residue, 1934 clashes 0.649612 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 2 ## InsertFragment 8 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 15 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score T0147_twice.try1 22.4325 cost/residue, 2125 clashes 0.682913 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 2 ## InsertFragment 17 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 25 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score T0147_twice.try1 22.3903 cost/residue, 2042 clashes 0.71164 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 2 ## InsertFragment 24 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 11 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 32 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 4: best score T0147_twice.try1+T0147_twice.t2k.frag:1e19A.372.291 21.9734 cost/residue, 1751 clashes 0.59075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 2 ## InsertFragment 30 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 47 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 5: best score T0147_twice.try1 21.608 cost/residue, 1916 clashes 0.607529 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 2 ## InsertFragment 36 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 14 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 59 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 6: best score T0147_twice.try1 21.5816 cost/residue, 1917 clashes 0.605611 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 4 ## InsertFragment 38 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 16 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 77 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 7: best score T0147_twice.try1 21.1758 cost/residue, 1914 clashes 0.531021 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 5 ## InsertFragment 43 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 16 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 88 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 8: best score T0147_twice.try1 21.1726 cost/residue, 1918 clashes 0.531921 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 6 ## InsertFragment 48 ## TwoFragment 16 ## CrossOver 0 ## CrossAndInsert 17 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 100 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 9: best score T0147_twice.try1 21.1726 cost/residue, 1918 clashes 0.531921 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 6 ## InsertFragment 53 ## TwoFragment 17 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 116 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 10: best score T0147_twice.try1 21.0972 cost/residue, 1911 clashes 0.566948 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 6 ## InsertFragment 56 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 132 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 11: best score T0147_twice.try1 21.0427 cost/residue, 1906 clashes 0.511279 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 6 ## InsertFragment 62 ## TwoFragment 20 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 141 ## CloseGap 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 12: best score T0147_twice.try1 20.9941 cost/residue, 1855 clashes 0.561128 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 6 ## InsertFragment 66 ## TwoFragment 22 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 150 ## CloseGap 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 13: best score T0147_twice.try1 20.7812 cost/residue, 1712 clashes 0.562912 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 7 ## InsertFragment 74 ## TwoFragment 22 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 160 ## CloseGap 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 14: best score T0147_twice.try1 20.6232 cost/residue, 1793 clashes 0.504248 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 9 ## InsertFragment 80 ## TwoFragment 23 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 173 ## CloseGap 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 15: best score T0147_twice.try1 20.3205 cost/residue, 1703 clashes 0.458736 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 10 ## InsertFragment 89 ## TwoFragment 23 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 187 ## CloseGap 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 16: best score T0147_twice.try1 20.3205 cost/residue, 1703 clashes 0.458736 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 11 ## InsertFragment 91 ## TwoFragment 24 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 199 ## CloseGap 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 17: best score T0147_twice.try1 20.2213 cost/residue, 1739 clashes 0.458047 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 13 ## InsertFragment 93 ## TwoFragment 25 ## CrossOver 0 ## CrossAndInsert 21 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 212 ## CloseGap 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 18: best score T0147_twice.try1 20.0891 cost/residue, 1582 clashes 0.426597 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 13 ## InsertFragment 105 ## TwoFragment 25 ## CrossOver 0 ## CrossAndInsert 21 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 218 ## CloseGap 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 19: best score T0147_twice.try1 20.0829 cost/residue, 1696 clashes 0.42437 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 13 ## InsertFragment 110 ## TwoFragment 25 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 230 ## CloseGap 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 20: best score T0147_twice.try1 20.0115 cost/residue, 1698 clashes 0.4108 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 13 ## InsertFragment 116 ## TwoFragment 26 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 86 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 239 ## CloseGap 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # iteration 13 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 22.9955 cost/residue, 2283 clashes 0.655786 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 1 ## InsertFragment 8 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 11 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score T0147_twice.try1 22.5306 cost/residue, 2301 clashes 0.578655 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 3 ## InsertFragment 10 ## TwoFragment 7 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 23 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 3: best score T0147_twice.try1 22.0303 cost/residue, 1541 clashes 0.0701124 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 16 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 32 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 4: best score T0147_twice.try1 21.7636 cost/residue, 1528 clashes 0.0701124 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 20 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 45 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 5: best score T0147_twice.try1 21.2122 cost/residue, 1533 clashes 0.0701124 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 28 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 51 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 6: best score T0147_twice.try1 20.8679 cost/residue, 1374 clashes 0.0701124 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 33 ## TwoFragment 20 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 56 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 7: best score T0147_twice.try1 20.8619 cost/residue, 1377 clashes 0.0701124 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 43 ## TwoFragment 23 ## CrossOver 1 ## CrossAndInsert 20 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 59 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 8: best score T0147_twice.try1 20.333 cost/residue, 2084 clashes 0.0701124 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 57 ## TwoFragment 24 ## CrossOver 1 ## CrossAndInsert 23 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 63 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 9: best score T0147_twice.try1 19.958 cost/residue, 1807 clashes 0.0701124 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 21 ## InsertFragment 64 ## TwoFragment 25 ## CrossOver 1 ## CrossAndInsert 26 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 69 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 10: best score T0147_twice.try1 19.8391 cost/residue, 1758 clashes 0.0661862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 23 ## InsertFragment 75 ## TwoFragment 27 ## CrossOver 1 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 76 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 11: best score T0147_twice.try1 19.8106 cost/residue, 1777 clashes 0.0701124 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 23 ## InsertFragment 82 ## TwoFragment 29 ## CrossOver 1 ## CrossAndInsert 33 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 83 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 12: best score T0147_twice.try1 19.6917 cost/residue, 1728 clashes 0.0661862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 25 ## InsertFragment 87 ## TwoFragment 30 ## CrossOver 1 ## CrossAndInsert 37 ## ReduceClash 59 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 92 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 13: best score T0147_twice.try1 19.6787 cost/residue, 1729 clashes 0.0662026 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 25 ## InsertFragment 92 ## TwoFragment 32 ## CrossOver 2 ## CrossAndInsert 39 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 103 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 14: best score T0147_twice.try1 19.1851 cost/residue, 1454 clashes 0.0831609 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 27 ## InsertFragment 96 ## TwoFragment 34 ## CrossOver 3 ## CrossAndInsert 46 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 109 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 15: best score T0147_twice.try1 19.0871 cost/residue, 1540 clashes 0.0831609 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 106 ## TwoFragment 35 ## CrossOver 3 ## CrossAndInsert 50 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 112 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 16: best score T0147_twice.try1 19.061 cost/residue, 1809 clashes 0.0661862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 31 ## InsertFragment 118 ## TwoFragment 36 ## CrossOver 3 ## CrossAndInsert 53 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 114 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 17: best score T0147_twice.try1 18.9281 cost/residue, 1686 clashes 0.0831609 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 31 ## InsertFragment 130 ## TwoFragment 39 ## CrossOver 4 ## CrossAndInsert 56 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 116 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 18: best score T0147_twice.try1 18.9268 cost/residue, 1683 clashes 0.0831609 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 31 ## InsertFragment 142 ## TwoFragment 41 ## CrossOver 6 ## CrossAndInsert 60 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 117 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 19: best score T0147_twice.try1 18.8769 cost/residue, 1471 clashes 0.0831609 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 33 ## InsertFragment 153 ## TwoFragment 42 ## CrossOver 6 ## CrossAndInsert 63 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 121 ## CloseGap 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 20: best score T0147_twice.try1 18.7552 cost/residue, 1560 clashes 0.101775 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 34 ## InsertFragment 164 ## TwoFragment 42 ## CrossOver 7 ## CrossAndInsert 67 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 126 ## CloseGap 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # iteration 14 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 22.7223 cost/residue, 2089 clashes 0.697158 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 2 ## InsertFragment 5 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 11 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 2: best score T0147_twice.try1 22.3522 cost/residue, 2037 clashes 0.655879 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 2 ## InsertFragment 11 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 27 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 3: best score T0147_twice.try1 22.2463 cost/residue, 2285 clashes 0.599732 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 3 ## InsertFragment 14 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 42 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 4: best score T0147_twice.try1 21.8855 cost/residue, 1950 clashes 0.440646 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 19 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 14 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 53 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 5: best score T0147_twice.try1 21.2527 cost/residue, 2081 clashes 0.400335 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 25 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 65 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 6: best score T0147_twice.try1 21.2527 cost/residue, 2081 clashes 0.400335 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 27 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 21 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 86 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 7: best score T0147_twice.try1 21.1569 cost/residue, 2081 clashes 0.400335 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 33 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 24 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 98 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 8: best score T0147_twice.try1 20.9661 cost/residue, 1823 clashes 0.38049 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 8 ## InsertFragment 40 ## TwoFragment 17 ## CrossOver 0 ## CrossAndInsert 25 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 110 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 9: best score T0147_twice.try1 20.8512 cost/residue, 1576 clashes 0.454213 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 10 ## InsertFragment 44 ## TwoFragment 17 ## CrossOver 0 ## CrossAndInsert 27 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 122 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 10: best score T0147_twice.try1 20.7734 cost/residue, 1817 clashes 0.382636 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 10 ## InsertFragment 45 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 31 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 138 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 11: best score T0147_twice.try1 20.6434 cost/residue, 1817 clashes 0.330899 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 11 ## InsertFragment 49 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 34 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 152 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 12: best score T0147_twice.try1 20.4467 cost/residue, 2138 clashes 0.308992 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 11 ## InsertFragment 53 ## TwoFragment 20 ## CrossOver 0 ## CrossAndInsert 36 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 165 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 13: best score T0147_twice.try1 20.1269 cost/residue, 1525 clashes 0.296549 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 11 ## InsertFragment 59 ## TwoFragment 20 ## CrossOver 0 ## CrossAndInsert 39 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 176 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 14: best score T0147_twice.try1 19.9999 cost/residue, 1569 clashes 0.265691 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 12 ## InsertFragment 64 ## TwoFragment 20 ## CrossOver 0 ## CrossAndInsert 40 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 187 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 15: best score T0147_twice.try1 19.9798 cost/residue, 1580 clashes 0.236397 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 12 ## InsertFragment 71 ## TwoFragment 23 ## CrossOver 0 ## CrossAndInsert 42 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 197 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 16: best score T0147_twice.try1 19.8874 cost/residue, 1470 clashes 0.195526 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 13 ## InsertFragment 77 ## TwoFragment 24 ## CrossOver 1 ## CrossAndInsert 46 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 204 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 17: best score T0147_twice.try1 19.7873 cost/residue, 1393 clashes 0.193302 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 14 ## InsertFragment 83 ## TwoFragment 24 ## CrossOver 1 ## CrossAndInsert 49 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 213 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 18: best score T0147_twice.try1 19.6768 cost/residue, 1302 clashes 0.184909 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 17 ## InsertFragment 87 ## TwoFragment 25 ## CrossOver 1 ## CrossAndInsert 51 ## ReduceClash 83 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 220 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 19: best score T0147_twice.try1 19.5381 cost/residue, 1289 clashes 0.196622 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 19 ## InsertFragment 94 ## TwoFragment 25 ## CrossOver 1 ## CrossAndInsert 53 ## ReduceClash 88 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 229 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 20: best score T0147_twice.try1 19.1092 cost/residue, 1225 clashes 0.196622 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 20 ## InsertFragment 95 ## TwoFragment 26 ## CrossOver 1 ## CrossAndInsert 58 ## ReduceClash 95 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 236 ## CloseGap 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # iteration 15 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 23.0292 cost/residue, 2274 clashes 0.628647 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 1 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 0 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 17 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 2: best score T0147_twice.try1 22.3714 cost/residue, 1968 clashes 0.679675 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 7 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 29 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 3: best score T0147_twice.try1 22.1654 cost/residue, 1960 clashes 0.634957 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 8 ## InsertFragment 10 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 41 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 4: best score T0147_twice.try1 21.6908 cost/residue, 1783 clashes 0.588699 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 18 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 53 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 5: best score T0147_twice.try1 21.5027 cost/residue, 1778 clashes 0.656503 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 23 ## TwoFragment 10 ## CrossOver 1 ## CrossAndInsert 4 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 70 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 6: best score T0147_twice.try1 21.2669 cost/residue, 1539 clashes 0.569348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 26 ## TwoFragment 12 ## CrossOver 1 ## CrossAndInsert 5 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 84 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 7: best score T0147_twice.try1 21.0602 cost/residue, 1772 clashes 0.489009 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 30 ## TwoFragment 14 ## CrossOver 2 ## CrossAndInsert 5 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 105 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 8: best score T0147_twice.try1 20.9982 cost/residue, 1733 clashes 0.502978 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 34 ## TwoFragment 17 ## CrossOver 2 ## CrossAndInsert 7 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 117 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 9: best score T0147_twice.try1 20.8502 cost/residue, 1724 clashes 0.474416 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 37 ## TwoFragment 18 ## CrossOver 2 ## CrossAndInsert 8 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 131 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 10: best score T0147_twice.try1 20.7221 cost/residue, 1819 clashes 0.455598 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 40 ## TwoFragment 20 ## CrossOver 2 ## CrossAndInsert 9 ## ReduceClash 58 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 145 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 11: best score T0147_twice.try1 20.7221 cost/residue, 1819 clashes 0.455598 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 44 ## TwoFragment 22 ## CrossOver 3 ## CrossAndInsert 13 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 154 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 12: best score T0147_twice.try1 20.6472 cost/residue, 1785 clashes 0.432883 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 48 ## TwoFragment 23 ## CrossOver 3 ## CrossAndInsert 14 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 165 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 13: best score T0147_twice.try1 20.4836 cost/residue, 1716 clashes 0.540278 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 57 ## TwoFragment 25 ## CrossOver 3 ## CrossAndInsert 14 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 174 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 14: best score T0147_twice.try1 20.4836 cost/residue, 1716 clashes 0.540278 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 64 ## TwoFragment 25 ## CrossOver 3 ## CrossAndInsert 15 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 182 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 15: best score T0147_twice.try1 20.2553 cost/residue, 1750 clashes 0.49498 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 26 ## CrossOver 3 ## CrossAndInsert 16 ## ReduceClash 81 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 198 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 16: best score T0147_twice.try1 20.163 cost/residue, 1780 clashes 0.416657 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 18 ## InsertFragment 72 ## TwoFragment 26 ## CrossOver 3 ## CrossAndInsert 16 ## ReduceClash 84 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 215 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 17: best score T0147_twice.try1 20.163 cost/residue, 1780 clashes 0.416657 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 77 ## TwoFragment 29 ## CrossOver 3 ## CrossAndInsert 16 ## ReduceClash 92 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 222 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 18: best score T0147_twice.try1 20.1068 cost/residue, 1603 clashes 0.377453 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 80 ## TwoFragment 32 ## CrossOver 3 ## CrossAndInsert 17 ## ReduceClash 98 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 233 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 19: best score T0147_twice.try1 20.0766 cost/residue, 1549 clashes 0.397351 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 21 ## InsertFragment 85 ## TwoFragment 32 ## CrossOver 3 ## CrossAndInsert 18 ## ReduceClash 105 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 241 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 11 # generation 20: best score T0147_twice.try1 19.9649 cost/residue, 1612 clashes 0.34175 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 22 ## InsertFragment 87 ## TwoFragment 34 ## CrossOver 3 ## CrossAndInsert 20 ## ReduceClash 108 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 255 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 11 # iteration 16 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 22.7764 cost/residue, 2032 clashes 0.666962 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 4 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 18 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score T0147_twice.try1 22.6876 cost/residue, 2126 clashes 0.623534 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 10 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 28 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 3: best score T0147_twice.try1 22.118 cost/residue, 1922 clashes 0.61593 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 15 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 42 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 4: best score T0147_twice.try1 22.0255 cost/residue, 1891 clashes 0.613214 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 20 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 52 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 5: best score T0147_twice.try1 21.9333 cost/residue, 1906 clashes 0.606786 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 24 ## TwoFragment 7 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 66 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 6: best score T0147_twice.try1 21.1089 cost/residue, 1584 clashes 0.621696 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 30 ## TwoFragment 7 ## CrossOver 1 ## CrossAndInsert 5 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 79 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 7: best score T0147_twice.try1 21.0997 cost/residue, 1582 clashes 0.621696 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 35 ## TwoFragment 9 ## CrossOver 1 ## CrossAndInsert 7 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 90 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 8: best score T0147_twice.try1 20.8787 cost/residue, 1764 clashes 0.503551 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 23 ## InsertFragment 40 ## TwoFragment 11 ## CrossOver 1 ## CrossAndInsert 8 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 106 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 9: best score T0147_twice.try1 20.6361 cost/residue, 1575 clashes 0.517333 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 24 ## InsertFragment 51 ## TwoFragment 11 ## CrossOver 1 ## CrossAndInsert 9 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 117 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 10: best score T0147_twice.try1 20.6361 cost/residue, 1575 clashes 0.517333 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 26 ## InsertFragment 58 ## TwoFragment 13 ## CrossOver 1 ## CrossAndInsert 10 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 126 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 11: best score T0147_twice.try1 20.5265 cost/residue, 1565 clashes 0.529603 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 28 ## InsertFragment 60 ## TwoFragment 14 ## CrossOver 1 ## CrossAndInsert 12 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 137 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 12: best score T0147_twice.try1 20.5265 cost/residue, 1565 clashes 0.529603 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 65 ## TwoFragment 15 ## CrossOver 2 ## CrossAndInsert 12 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 152 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 13: best score T0147_twice.try1 20.1048 cost/residue, 1552 clashes 0.444149 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 31 ## InsertFragment 68 ## TwoFragment 16 ## CrossOver 3 ## CrossAndInsert 12 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 166 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 14: best score T0147_twice.try1 20.1048 cost/residue, 1552 clashes 0.444149 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 17 ## CrossOver 3 ## CrossAndInsert 15 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 176 ## CloseGap 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 15: best score T0147_twice.try1 20.0904 cost/residue, 1575 clashes 0.444149 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 33 ## InsertFragment 82 ## TwoFragment 17 ## CrossOver 3 ## CrossAndInsert 19 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 185 ## CloseGap 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 16: best score T0147_twice.try1 19.9547 cost/residue, 1623 clashes 0.470807 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 34 ## InsertFragment 89 ## TwoFragment 18 ## CrossOver 4 ## CrossAndInsert 20 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 192 ## CloseGap 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 17: best score T0147_twice.try1 19.9179 cost/residue, 1624 clashes 0.469046 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 35 ## InsertFragment 101 ## TwoFragment 19 ## CrossOver 5 ## CrossAndInsert 20 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 201 ## CloseGap 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 18: best score T0147_twice.try1 19.8324 cost/residue, 1501 clashes 0.43831 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 36 ## InsertFragment 108 ## TwoFragment 19 ## CrossOver 5 ## CrossAndInsert 20 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 210 ## CloseGap 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 19: best score T0147_twice.try1 19.8324 cost/residue, 1501 clashes 0.43831 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 114 ## TwoFragment 19 ## CrossOver 6 ## CrossAndInsert 20 ## ReduceClash 60 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 218 ## CloseGap 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 20: best score T0147_twice.try1 19.7237 cost/residue, 1457 clashes 0.427615 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 120 ## TwoFragment 19 ## CrossOver 7 ## CrossAndInsert 20 ## ReduceClash 63 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 225 ## CloseGap 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 14 # iteration 17 # best score in initial pool T0147_twice.try1 at pool[32] 23.1325 cost/residue, 1446 clashes 0.206709 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 21.7584 cost/residue, 1622 clashes 0.206709 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 3 ## InsertFragment 2 ## TwoFragment 3 ## CrossOver 1 ## CrossAndInsert 2 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 19 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score T0147_twice.try1 21.5899 cost/residue, 1622 clashes 0.156668 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 8 ## TwoFragment 6 ## CrossOver 2 ## CrossAndInsert 2 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 33 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 3: best score T0147_twice.try1 21.2493 cost/residue, 1626 clashes 0.156668 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 12 ## TwoFragment 8 ## CrossOver 2 ## CrossAndInsert 5 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 53 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 4: best score T0147_twice.try1 20.9244 cost/residue, 1736 clashes 0.079333 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 16 ## TwoFragment 12 ## CrossOver 2 ## CrossAndInsert 6 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 67 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 5: best score T0147_twice.try1 20.3364 cost/residue, 1559 clashes 0.0833357 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 25 ## TwoFragment 16 ## CrossOver 2 ## CrossAndInsert 6 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 79 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 6: best score T0147_twice.try1 20.0884 cost/residue, 1814 clashes 0.0803978 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 32 ## TwoFragment 18 ## CrossOver 2 ## CrossAndInsert 9 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 88 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 7: best score T0147_twice.try1 20.0263 cost/residue, 1874 clashes 0.0368965 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 37 ## TwoFragment 19 ## CrossOver 2 ## CrossAndInsert 11 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 96 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 8: best score T0147_twice.try1 19.77 cost/residue, 1812 clashes 0.0190065 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 44 ## TwoFragment 22 ## CrossOver 2 ## CrossAndInsert 13 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 110 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 9: best score T0147_twice.try1 19.77 cost/residue, 1812 clashes 0.0190065 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 52 ## TwoFragment 23 ## CrossOver 3 ## CrossAndInsert 17 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 115 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 10: best score T0147_twice.try1 19.5378 cost/residue, 1646 clashes 0.0358041 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 24 ## CrossOver 3 ## CrossAndInsert 21 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 119 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 11: best score T0147_twice.try1 19.4927 cost/residue, 1668 clashes 0.0358041 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 63 ## TwoFragment 26 ## CrossOver 3 ## CrossAndInsert 23 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 122 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 12: best score T0147_twice.try1 19.3875 cost/residue, 1658 clashes 0.0358041 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 73 ## TwoFragment 28 ## CrossOver 3 ## CrossAndInsert 23 ## ReduceClash 60 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 123 ## CloseGap 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 13: best score T0147_twice.try1 19.3875 cost/residue, 1658 clashes 0.0358041 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 18 ## InsertFragment 85 ## TwoFragment 30 ## CrossOver 4 ## CrossAndInsert 23 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 124 ## CloseGap 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 14: best score T0147_twice.try1 19.3699 cost/residue, 1650 clashes 0.0358041 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 94 ## TwoFragment 33 ## CrossOver 4 ## CrossAndInsert 24 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 124 ## CloseGap 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 15: best score T0147_twice.try1 19.3646 cost/residue, 1630 clashes 0.0479049 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 21 ## InsertFragment 103 ## TwoFragment 33 ## CrossOver 6 ## CrossAndInsert 24 ## ReduceClash 80 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 125 ## CloseGap 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 16: best score T0147_twice.try1 19.2406 cost/residue, 1662 clashes 0.0541994 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 21 ## InsertFragment 114 ## TwoFragment 35 ## CrossOver 7 ## CrossAndInsert 27 ## ReduceClash 86 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 125 ## CloseGap 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 17: best score T0147_twice.try1 19.1237 cost/residue, 1610 clashes 0.0465015 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 24 ## InsertFragment 121 ## TwoFragment 38 ## CrossOver 7 ## CrossAndInsert 29 ## ReduceClash 92 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 125 ## CloseGap 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 18: best score T0147_twice.try1 19.1237 cost/residue, 1610 clashes 0.0465015 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 26 ## InsertFragment 128 ## TwoFragment 42 ## CrossOver 8 ## CrossAndInsert 29 ## ReduceClash 99 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 125 ## CloseGap 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 11 # generation 19: best score T0147_twice.try1 19.1126 cost/residue, 1525 clashes 0.0914827 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 135 ## TwoFragment 46 ## CrossOver 8 ## CrossAndInsert 30 ## ReduceClash 105 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 125 ## CloseGap 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 12 # generation 20: best score T0147_twice.try1 19.0725 cost/residue, 1646 clashes 0.104964 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 146 ## TwoFragment 46 ## CrossOver 8 ## CrossAndInsert 31 ## ReduceClash 111 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 128 ## CloseGap 20 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 12 # iteration 18 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 23.2804 cost/residue, 2298 clashes 0.650506 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 0 ## InsertFragment 4 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 16 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score T0147_twice.try1 22.5843 cost/residue, 2117 clashes 0.558423 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 0 ## InsertFragment 7 ## TwoFragment 7 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 37 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score T0147_twice.try1 22.2301 cost/residue, 1816 clashes 0.558423 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 1 ## InsertFragment 8 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 8 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 54 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score T0147_twice.try1 22.0836 cost/residue, 1740 clashes 0.514472 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 3 ## InsertFragment 12 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 11 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 66 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 5: best score T0147_twice.try1 21.8433 cost/residue, 1824 clashes 0.558423 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 7 ## InsertFragment 18 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 14 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 75 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 6: best score T0147_twice.try1 21.3842 cost/residue, 1916 clashes 0.357375 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 8 ## InsertFragment 25 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 87 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 7: best score T0147_twice.try1 20.6168 cost/residue, 1821 clashes 0.299542 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 9 ## InsertFragment 29 ## TwoFragment 17 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 102 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 8: best score T0147_twice.try1 20.3617 cost/residue, 1752 clashes 0.295523 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 9 ## InsertFragment 30 ## TwoFragment 19 ## CrossOver 0 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 112 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 9: best score T0147_twice.try1 20.265 cost/residue, 1693 clashes 0.289503 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 10 ## InsertFragment 33 ## TwoFragment 22 ## CrossOver 1 ## CrossAndInsert 25 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 123 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 10: best score T0147_twice.try1 19.9686 cost/residue, 1643 clashes 0.282008 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 11 ## InsertFragment 38 ## TwoFragment 22 ## CrossOver 1 ## CrossAndInsert 31 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 133 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 11: best score T0147_twice.try1 19.8442 cost/residue, 1559 clashes 0.291156 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 15 ## InsertFragment 39 ## TwoFragment 22 ## CrossOver 1 ## CrossAndInsert 31 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 145 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 12 # generation 12: best score T0147_twice.try1 19.8442 cost/residue, 1559 clashes 0.291156 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 15 ## InsertFragment 42 ## TwoFragment 24 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 63 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 152 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 13 # generation 13: best score T0147_twice.try1 19.5575 cost/residue, 1622 clashes 0.282008 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 16 ## InsertFragment 48 ## TwoFragment 24 ## CrossOver 2 ## CrossAndInsert 33 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 162 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 15 # generation 14: best score T0147_twice.try1 19.5069 cost/residue, 1606 clashes 0.291156 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 16 ## InsertFragment 53 ## TwoFragment 24 ## CrossOver 2 ## CrossAndInsert 35 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 171 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 16 # generation 15: best score T0147_twice.try1 19.1332 cost/residue, 1752 clashes 0.297125 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 17 ## InsertFragment 61 ## TwoFragment 26 ## CrossOver 2 ## CrossAndInsert 37 ## ReduceClash 79 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 178 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 16 # generation 16: best score T0147_twice.try1 19.054 cost/residue, 1568 clashes 0.220961 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 20 ## InsertFragment 67 ## TwoFragment 26 ## CrossOver 2 ## CrossAndInsert 39 ## ReduceClash 82 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 189 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 16 # generation 17: best score T0147_twice.try1 19.019 cost/residue, 1524 clashes 0.23911 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 21 ## InsertFragment 70 ## TwoFragment 30 ## CrossOver 2 ## CrossAndInsert 40 ## ReduceClash 86 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 200 ## CloseGap 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 18 # generation 18: best score T0147_twice.try1 19.019 cost/residue, 1524 clashes 0.23911 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 21 ## InsertFragment 80 ## TwoFragment 31 ## CrossOver 3 ## CrossAndInsert 41 ## ReduceClash 90 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 205 ## CloseGap 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 18 # generation 19: best score T0147_twice.try1 18.9366 cost/residue, 1660 clashes 0.305576 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 23 ## InsertFragment 85 ## TwoFragment 32 ## CrossOver 3 ## CrossAndInsert 44 ## ReduceClash 94 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 210 ## CloseGap 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 19 # generation 20: best score T0147_twice.try1 18.8063 cost/residue, 1669 clashes 0.258874 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 23 ## InsertFragment 90 ## TwoFragment 32 ## CrossOver 3 ## CrossAndInsert 47 ## ReduceClash 100 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 216 ## CloseGap 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 21 # iteration 19 # best score in initial pool T0147_twice.try1 23.3451 cost/residue, 2312 clashes 0.666074 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 23.3194 cost/residue, 2049 clashes 0.655473 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 2 ## InsertFragment 7 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 10 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score T0147_twice.try1 22.6286 cost/residue, 1884 clashes 0.640887 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 19 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 20 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score T0147_twice.try1 22.2133 cost/residue, 2063 clashes 0.545312 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 26 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 35 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score T0147_twice.try1 22.1422 cost/residue, 1955 clashes 0.573494 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 8 ## InsertFragment 29 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 8 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 48 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 5: best score T0147_twice.try1 21.9639 cost/residue, 1938 clashes 0.542684 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 31 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 62 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 6: best score T0147_twice.try1 21.5809 cost/residue, 1701 clashes 0.394137 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 34 ## TwoFragment 21 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 76 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 7: best score T0147_twice.try1 21.3056 cost/residue, 1698 clashes 0.394137 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 41 ## TwoFragment 23 ## CrossOver 0 ## CrossAndInsert 15 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 86 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 8: best score T0147_twice.try1 20.7521 cost/residue, 1438 clashes 0.21689 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 45 ## TwoFragment 25 ## CrossOver 0 ## CrossAndInsert 17 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 99 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 9: best score T0147_twice.try1 20.7202 cost/residue, 1388 clashes 0.233549 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 51 ## TwoFragment 27 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 108 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 10: best score T0147_twice.try1 20.6913 cost/residue, 1668 clashes 0.36518 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 58 ## TwoFragment 33 ## CrossOver 1 ## CrossAndInsert 23 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 115 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 11: best score T0147_twice.try1 20.3489 cost/residue, 1550 clashes 0.213283 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 68 ## TwoFragment 34 ## CrossOver 1 ## CrossAndInsert 24 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 124 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 12: best score T0147_twice.try1 20.059 cost/residue, 1495 clashes 0.128167 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 77 ## TwoFragment 36 ## CrossOver 1 ## CrossAndInsert 30 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 127 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 13: best score T0147_twice.try1 19.9939 cost/residue, 1453 clashes 0.128167 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 77 ## TwoFragment 40 ## CrossOver 1 ## CrossAndInsert 33 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 140 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 14: best score T0147_twice.try1 19.717 cost/residue, 2333 clashes 0.204852 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 24 ## InsertFragment 79 ## TwoFragment 43 ## CrossOver 1 ## CrossAndInsert 34 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 146 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 8 # generation 15: best score T0147_twice.try1 19.717 cost/residue, 2333 clashes 0.204852 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 81 ## TwoFragment 44 ## CrossOver 1 ## CrossAndInsert 36 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 153 ## CloseGap 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 16: best score T0147_twice.try1 19.2811 cost/residue, 1198 clashes 0.128167 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 30 ## InsertFragment 86 ## TwoFragment 45 ## CrossOver 2 ## CrossAndInsert 38 ## ReduceClash 59 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 161 ## CloseGap 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 9 # generation 17: best score T0147_twice.try1 19.2811 cost/residue, 1198 clashes 0.128167 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 35 ## InsertFragment 92 ## TwoFragment 45 ## CrossOver 2 ## CrossAndInsert 40 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 168 ## CloseGap 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 18: best score T0147_twice.try1 19.2567 cost/residue, 1200 clashes 0.128167 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 35 ## InsertFragment 102 ## TwoFragment 46 ## CrossOver 2 ## CrossAndInsert 44 ## ReduceClash 63 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 175 ## CloseGap 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 19: best score T0147_twice.try1 19.2567 cost/residue, 1200 clashes 0.128167 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 37 ## InsertFragment 109 ## TwoFragment 46 ## CrossOver 2 ## CrossAndInsert 45 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 179 ## CloseGap 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # generation 20: best score T0147_twice.try1 18.7808 cost/residue, 1652 clashes 0.13118 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 38 ## InsertFragment 119 ## TwoFragment 48 ## CrossOver 2 ## CrossAndInsert 48 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 187 ## CloseGap 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 10 # best score in super_pool T0147_twice.try1 at pool[1] 17.8777 cost/residue, 1307 clashes 0.0364608 breaks # optimizing backbone with 40 conformations in pool # doing 20 generations, with 120 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score T0147_twice.try1 17.8777 cost/residue, 1307 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 1 ## InsertFragment 5 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 0 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 10 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 2: best score T0147_twice.try1 17.8777 cost/residue, 1307 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 9 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 19 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 3: best score T0147_twice.try1 17.8777 cost/residue, 1307 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 14 ## TwoFragment 6 ## CrossOver 2 ## CrossAndInsert 6 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 30 ## CloseGap 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 4: best score T0147_twice.try1 17.8153 cost/residue, 1324 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 8 ## InsertFragment 23 ## TwoFragment 6 ## CrossOver 2 ## CrossAndInsert 10 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 34 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 5: best score T0147_twice.try1 17.8153 cost/residue, 1324 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 28 ## TwoFragment 8 ## CrossOver 2 ## CrossAndInsert 15 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 39 ## CloseGap 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 1 # generation 6: best score T0147_twice.try1 17.8153 cost/residue, 1324 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 32 ## TwoFragment 8 ## CrossOver 4 ## CrossAndInsert 18 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 41 ## CloseGap 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 2 # generation 7: best score T0147_twice.try1 17.741 cost/residue, 1282 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 41 ## TwoFragment 8 ## CrossOver 6 ## CrossAndInsert 20 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 42 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 8: best score T0147_twice.try1 17.741 cost/residue, 1282 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 17 ## InsertFragment 47 ## TwoFragment 9 ## CrossOver 7 ## CrossAndInsert 25 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 45 ## CloseGap 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 9: best score T0147_twice.try1 17.7011 cost/residue, 1341 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 19 ## InsertFragment 55 ## TwoFragment 10 ## CrossOver 9 ## CrossAndInsert 29 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 45 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 10: best score T0147_twice.try1 17.5879 cost/residue, 1304 clashes 0.0364608 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 23 ## InsertFragment 64 ## TwoFragment 11 ## CrossOver 10 ## CrossAndInsert 34 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 47 ## CloseGap 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 11: best score T0147_twice.try1 17.353 cost/residue, 1121 clashes 0.0394686 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 24 ## InsertFragment 73 ## TwoFragment 12 ## CrossOver 12 ## CrossAndInsert 41 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 47 ## CloseGap 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 3 # generation 12: best score T0147_twice.try1 17.3297 cost/residue, 1246 clashes 0.0394686 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 24 ## InsertFragment 79 ## TwoFragment 14 ## CrossOver 14 ## CrossAndInsert 48 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 48 ## CloseGap 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 13: best score T0147_twice.try1 17.3297 cost/residue, 1246 clashes 0.0394686 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 26 ## InsertFragment 85 ## TwoFragment 14 ## CrossOver 16 ## CrossAndInsert 55 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 49 ## CloseGap 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 14: best score T0147_twice.try1 17.3297 cost/residue, 1246 clashes 0.0394686 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 28 ## InsertFragment 95 ## TwoFragment 15 ## CrossOver 19 ## CrossAndInsert 57 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 51 ## CloseGap 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 4 # generation 15: best score T0147_twice.try1 17.3296 cost/residue, 1415 clashes 0.0486342 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 29 ## InsertFragment 101 ## TwoFragment 15 ## CrossOver 22 ## CrossAndInsert 62 ## ReduceClash 58 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 52 ## CloseGap 16 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 5 # generation 16: best score T0147_twice.try1 17.2884 cost/residue, 1419 clashes 0.0365145 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 29 ## InsertFragment 108 ## TwoFragment 15 ## CrossOver 24 ## CrossAndInsert 65 ## ReduceClash 61 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 53 ## CloseGap 23 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 17: best score T0147_twice.try1 16.9152 cost/residue, 1180 clashes 0.0655667 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 116 ## TwoFragment 16 ## CrossOver 27 ## CrossAndInsert 67 ## ReduceClash 65 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 53 ## CloseGap 26 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 6 # generation 18: best score T0147_twice.try1 16.9152 cost/residue, 1180 clashes 0.0655667 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 34 ## InsertFragment 126 ## TwoFragment 18 ## CrossOver 29 ## CrossAndInsert 71 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 53 ## CloseGap 27 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 19: best score T0147_twice.try1 16.9152 cost/residue, 1180 clashes 0.0655667 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 136 ## TwoFragment 19 ## CrossOver 31 ## CrossAndInsert 73 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 53 ## CloseGap 31 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # generation 20: best score T0147_twice.try1 16.8126 cost/residue, 1182 clashes 0.0457928 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 141 ## TwoFragment 19 ## CrossOver 34 ## CrossAndInsert 74 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 54 ## CloseGap 40 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 7 # command:# naming current conformation T0147_twice.try1-opt # command:# command:# CostConform T0147_twice.try1-opt costs 16.8126 T0147_twice.try1 costs 23.3451 T0147_twice.try1-al10 costs 23.3451 T0147_twice.try1-al10 costs 23.3451 T0147_twice.try1-al8+T0147_twice-1qfeA-2track-protein-STR-global-adpstyle1.pw.a2m.gz:1qfeA costs 23.3451 T0147_twice.try1-al8 costs 23.6615 T0147_twice.try1-al6+T0147_twice-2mnr-2track-protein-STR-global-adpstyle1.pw.a2m.gz:2mnr costs 23.6615 T0147_twice.try1-al6 costs 24.5689 T0147_twice.try1-al4+T0147_twice-1gdeA-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1gdeA costs 24.5689 T0147_twice.try1-al4 costs 25.0593 T0147_twice.al2 costs 25.0593 T0147_twice.al2 costs 25.0593 T0147_twice.rand costs 25.0593 T0147_twice.rand costs 25.0593 # command:CPU_time= 102709 msec, elapsed time= 3.04178e+07 msec) # command: