# command:# Seed set to 1027438459 # 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= 8970 msec, elapsed time= 9354.54 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= 9070 msec, elapsed time= 9454.84 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= 13280 msec, elapsed time= 13667.1 msec) # command:# Prefix for input files set to # 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 # adding 1a4mA to template set 1a4mA:# 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=13 Number of alignments=1 # 1add read from T0147_twice.t2k-2track-undertaker.a2m # adding 1add to template set 1add:# 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=28 Number of alignments=2 # 1ejrC read from T0147_twice.t2k-2track-undertaker.a2m # 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 :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=38 Number of alignments=3 # 1eywA read from T0147_twice.t2k-2track-undertaker.a2m # 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 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=48 Number of alignments=4 # 1ezwA read from T0147_twice.t2k-2track-undertaker.a2m # 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 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=58 Number of alignments=5 # 1fwcC read from T0147_twice.t2k-2track-undertaker.a2m # adding 1fwcC to template set 1fwcC:# 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=68 Number of alignments=6 # 1gdeA read from T0147_twice.t2k-2track-undertaker.a2m # 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=76 Number of alignments=7 # 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=85 Number of alignments=8 # 1hw6A read from T0147_twice.t2k-2track-undertaker.a2m # adding 1hw6A to template set 1hw6A:# 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=96 Number of alignments=9 # 1hzyA read from T0147_twice.t2k-2track-undertaker.a2m # 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 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=106 Number of alignments=10 # 1i0dA read from T0147_twice.t2k-2track-undertaker.a2m # 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 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=116 Number of alignments=11 # 1i60A read from T0147_twice.t2k-2track-undertaker.a2m # 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 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=127 Number of alignments=12 # 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=136 Number of alignments=13 # 1pta read from T0147_twice.t2k-2track-undertaker.a2m # adding 1pta to template set 1pta:# 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=149 Number of alignments=14 # 1qfeA read from T0147_twice.t2k-2track-undertaker.a2m # 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 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=157 Number of alignments=15 # 1ubpC read from T0147_twice.t2k-2track-undertaker.a2m # adding 1ubpC to template set 1ubpC:# 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=170 Number of alignments=16 # 2mnr read from T0147_twice.t2k-2track-undertaker.a2m # adding 2mnr to template set 2mnr:# 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=180 Number of alignments=17 # 4ubpC read from T0147_twice.t2k-2track-undertaker.a2m # adding 4ubpC to template set 4ubpC:# 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=191 Number of alignments=18 # 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 # 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=205 Number of alignments=19 # 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=219 Number of alignments=20 # 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 # 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=232 Number of alignments=21 # 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=246 Number of alignments=22 # 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 # 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=256 Number of alignments=23 # 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=270 Number of alignments=24 # 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 # 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=281 Number of alignments=25 # 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=289 Number of alignments=26 # 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 # 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=304 Number of alignments=27 # 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=317 Number of alignments=28 # 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 # 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=335 Number of alignments=29 # 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=354 Number of alignments=30 # 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 # 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=371 Number of alignments=31 # 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=387 Number of alignments=32 # 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 # 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=401 Number of alignments=33 # 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=416 Number of alignments=34 # 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 # 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=432 Number of alignments=35 # 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=449 Number of alignments=36 # 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 # 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=466 Number of alignments=37 # 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=483 Number of alignments=38 # 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=497 Number of alignments=39 # 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=508 Number of alignments=40 # 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=518 Number of alignments=41 # 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=526 Number of alignments=42 # 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 # 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=538 Number of alignments=43 # 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=546 Number of alignments=44 # 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=552 Number of alignments=45 # 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=559 Number of alignments=46 # 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=566 Number of alignments=47 # 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=572 Number of alignments=48 # 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=582 Number of alignments=49 # 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=590 Number of alignments=50 # 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 # 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=598 Number of alignments=51 # 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=611 Number of alignments=52 # 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=624 Number of alignments=53 # 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=638 Number of alignments=54 # 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 # 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=645 Number of alignments=55 # 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=655 Number of alignments=56 # 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=668 Number of alignments=57 # 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=681 Number of alignments=58 # 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 # 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=691 Number of alignments=59 # 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=698 Number of alignments=60 # 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 # 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=706 Number of alignments=61 # 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=712 Number of alignments=62 # 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 # 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=720 Number of alignments=63 # 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=731 Number of alignments=64 # 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=746 Number of alignments=65 # 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=759 Number of alignments=66 # 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=769 Number of alignments=67 # 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=779 Number of alignments=68 # command:# command: