NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
652056 |
6ut2   |
30681 | cing | 1-original | 1 | AMBER | dihedral angle |
# Restraints file 1: lmod_and_tm_dihedrals.txt # 24344 atoms read from pdb file model1_init.pdb. # 16 ILE PHI: (15 ILE C)-(16 ASP N)-(16 ASP CA)-(16 ASP C) -106.7 -55.5 &rst iat = 247, 249, 251, 259, r1 = -107.7, r2 = -106.7, r3 = -55.5, r4 = -54.5, rk2 = 32.0, rk3 = 32.0, / # 16 ILE PSI: (16 ASP N)-(16 ASP CA)-(16 ASP C)-(17 GLU N) 122.6 164.9 &rst iat = 249, 251, 259, 261, r1 = 121.6, r2 = 122.6, r3 = 164.9, r4 = 165.9, / # 17 ASP PHI: (16 ASP C)-(17 GLU N)-(17 GLU CA)-(17 GLU C) -90.9 -50.9 &rst iat = 259, 261, 263, 274, r1 = -91.9, r2 = -90.9, r3 = -50.9, r4 = -49.9, / # 17 ASP PSI: (17 GLU N)-(17 GLU CA)-(17 GLU C)-(18 ASP N) 109.7 179.3 &rst iat = 261, 263, 274, 276, r1 = 108.7, r2 = 109.7, r3 = 179.3, r4 = 180.3, / # 18 GLU PHI: (17 GLU C)-(18 ASP N)-(18 ASP CA)-(18 ASP C) -78.8 -38.8 &rst iat = 274, 276, 278, 286, r1 = -79.8, r2 = -78.8, r3 = -38.8, r4 = -37.8, / # 18 GLU PSI: (18 ASP N)-(18 ASP CA)-(18 ASP C)-(19 GLU N) -57.9 -17.9 &rst iat = 276, 278, 286, 288, r1 = -58.9, r2 = -57.9, r3 = -17.9, r4 = -16.9, / # 19 ASP PHI: (18 ASP C)-(19 GLU N)-(19 GLU CA)-(19 GLU C) -85.4 -45.4 &rst iat = 286, 288, 290, 301, r1 = -86.4, r2 = -85.4, r3 = -45.4, r4 = -44.4, / # 19 ASP PSI: (19 GLU N)-(19 GLU CA)-(19 GLU C)-(20 LEU N) -60.9 -20.9 &rst iat = 288, 290, 301, 303, r1 = -61.9, r2 = -60.9, r3 = -20.9, r4 = -19.9, / # 20 GLU PHI: (19 GLU C)-(20 LEU N)-(20 LEU CA)-(20 LEU C) -88.8 -48.8 &rst iat = 301, 303, 305, 320, r1 = -89.8, r2 = -88.8, r3 = -48.8, r4 = -47.8, / # 20 GLU PSI: (20 LEU N)-(20 LEU CA)-(20 LEU C)-(21 LEU N) -60.3 -20.3 &rst iat = 303, 305, 320, 322, r1 = -61.3, r2 = -60.3, r3 = -20.3, r4 = -19.3, / # 21 LEU PHI: (20 LEU C)-(21 LEU N)-(21 LEU CA)-(21 LEU C) -84.8 -44.8 &rst iat = 320, 322, 324, 339, r1 = -85.8, r2 = -84.8, r3 = -44.8, r4 = -43.8, / # 21 LEU PSI: (21 LEU N)-(21 LEU CA)-(21 LEU C)-(22 ALA N) -60.7 -20.7 &rst iat = 322, 324, 339, 341, r1 = -61.7, r2 = -60.7, r3 = -20.7, r4 = -19.7, / # 22 LEU PHI: (21 LEU C)-(22 ALA N)-(22 ALA CA)-(22 ALA C) -84.6 -44.6 &rst iat = 339, 341, 343, 349, r1 = -85.6, r2 = -84.6, r3 = -44.6, r4 = -43.6, / # 22 LEU PSI: (22 ALA N)-(22 ALA CA)-(22 ALA C)-(23 SER N) -56.3 -16.3 &rst iat = 341, 343, 349, 351, r1 = -57.3, r2 = -56.3, r3 = -16.3, r4 = -15.3, / # 23 ALA PHI: (22 ALA C)-(23 SER N)-(23 SER CA)-(23 SER C) -89.6 -49.6 &rst iat = 349, 351, 353, 360, r1 = -90.6, r2 = -89.6, r3 = -49.6, r4 = -48.6, / # 23 ALA PSI: (23 SER N)-(23 SER CA)-(23 SER C)-(24 LEU N) -39.0 1.0 &rst iat = 351, 353, 360, 362, r1 = -40.0, r2 = -39.0, r3 = 1.0, r4 = 2.0, / # 24 SER PHI: (23 SER C)-(24 LEU N)-(24 LEU CA)-(24 LEU C) -109.7 -69.7 &rst iat = 360, 362, 364, 379, r1 = -110.7, r2 = -109.7, r3 = -69.7, r4 = -68.7, / # 24 SER PSI: (24 LEU N)-(24 LEU CA)-(24 LEU C)-(25 SER N) -30.7 9.3 &rst iat = 362, 364, 379, 381, r1 = -31.7, r2 = -30.7, r3 = 9.3, r4 = 10.3, / # 26 SER PHI: (25 SER C)-(26 ALA N)-(26 ALA CA)-(26 ALA C) -97.4 -57.4 &rst iat = 390, 392, 394, 400, r1 = -98.4, r2 = -97.4, r3 = -57.4, r4 = -56.4, / # 26 SER PSI: (26 ALA N)-(26 ALA CA)-(26 ALA C)-(27 GLU N) 145.1 185.1 &rst iat = 392, 394, 400, 402, r1 = 144.1, r2 = 145.1, r3 = 185.1, r4 = 186.1, / # 27 ALA PHI: (26 ALA C)-(27 GLU N)-(27 GLU CA)-(27 GLU C) -78.9 -38.9 &rst iat = 400, 402, 404, 415, r1 = -79.9, r2 = -78.9, r3 = -38.9, r4 = -37.9, / # 27 ALA PSI: (27 GLU N)-(27 GLU CA)-(27 GLU C)-(28 GLU N) -60.0 -20.0 &rst iat = 402, 404, 415, 417, r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0, / # 28 GLU PHI: (27 GLU C)-(28 GLU N)-(28 GLU CA)-(28 GLU C) -85.4 -45.4 &rst iat = 415, 417, 419, 430, r1 = -86.4, r2 = -85.4, r3 = -45.4, r4 = -44.4, / # 28 GLU PSI: (28 GLU N)-(28 GLU CA)-(28 GLU C)-(29 LEU N) -61.4 -21.4 &rst iat = 417, 419, 430, 432, r1 = -62.4, r2 = -61.4, r3 = -21.4, r4 = -20.4, / # 29 GLU PHI: (28 GLU C)-(29 LEU N)-(29 LEU CA)-(29 LEU C) -87.9 -47.9 &rst iat = 430, 432, 434, 449, r1 = -88.9, r2 = -87.9, r3 = -47.9, r4 = -46.9, / # 29 GLU PSI: (29 LEU N)-(29 LEU CA)-(29 LEU C)-(30 LYS N) -61.1 -21.1 &rst iat = 432, 434, 449, 451, r1 = -62.1, r2 = -61.1, r3 = -21.1, r4 = -20.1, / # 30 LEU PHI: (29 LEU C)-(30 LYS N)-(30 LYS CA)-(30 LYS C) -82.6 -42.6 &rst iat = 449, 451, 453, 471, r1 = -83.6, r2 = -82.6, r3 = -42.6, r4 = -41.6, / # 30 LEU PSI: (30 LYS N)-(30 LYS CA)-(30 LYS C)-(31 GLU N) -60.8 -20.8 &rst iat = 451, 453, 471, 473, r1 = -61.8, r2 = -60.8, r3 = -20.8, r4 = -19.8, / # 31 LYS PHI: (30 LYS C)-(31 GLU N)-(31 GLU CA)-(31 GLU C) -85.1 -45.1 &rst iat = 471, 473, 475, 486, r1 = -86.1, r2 = -85.1, r3 = -45.1, r4 = -44.1, / # 31 LYS PSI: (31 GLU N)-(31 GLU CA)-(31 GLU C)-(32 LEU N) -60.4 -20.4 &rst iat = 473, 475, 486, 488, r1 = -61.4, r2 = -60.4, r3 = -20.4, r4 = -19.4, / # 32 GLU PHI: (31 GLU C)-(32 LEU N)-(32 LEU CA)-(32 LEU C) -85.1 -45.1 &rst iat = 486, 488, 490, 505, r1 = -86.1, r2 = -85.1, r3 = -45.1, r4 = -44.1, / # 32 GLU PSI: (32 LEU N)-(32 LEU CA)-(32 LEU C)-(33 GLU N) -62.8 -22.8 &rst iat = 488, 490, 505, 507, r1 = -63.8, r2 = -62.8, r3 = -22.8, r4 = -21.8, / # 33 LEU PHI: (32 LEU C)-(33 GLU N)-(33 GLU CA)-(33 GLU C) -84.3 -44.3 &rst iat = 505, 507, 509, 520, r1 = -85.3, r2 = -84.3, r3 = -44.3, r4 = -43.3, / # 33 LEU PSI: (33 GLU N)-(33 GLU CA)-(33 GLU C)-(34 ARG N) -63.5 -23.5 &rst iat = 507, 509, 520, 522, r1 = -64.5, r2 = -63.5, r3 = -23.5, r4 = -22.5, / # 34 GLU PHI: (33 GLU C)-(34 ARG N)-(34 ARG CA)-(34 ARG C) -82.3 -42.3 &rst iat = 520, 522, 524, 544, r1 = -83.3, r2 = -82.3, r3 = -42.3, r4 = -41.3, / # 34 GLU PSI: (34 ARG N)-(34 ARG CA)-(34 ARG C)-(35 GLU N) -61.5 -21.5 &rst iat = 522, 524, 544, 546, r1 = -62.5, r2 = -61.5, r3 = -21.5, r4 = -20.5, / # 35 ARG PHI: (34 ARG C)-(35 GLU N)-(35 GLU CA)-(35 GLU C) -86.4 -46.4 &rst iat = 544, 546, 548, 559, r1 = -87.4, r2 = -86.4, r3 = -46.4, r4 = -45.4, / # 35 ARG PSI: (35 GLU N)-(35 GLU CA)-(35 GLU C)-(36 LEU N) -59.8 -19.8 &rst iat = 546, 548, 559, 561, r1 = -60.8, r2 = -59.8, r3 = -19.8, r4 = -18.8, / # 36 GLU PHI: (35 GLU C)-(36 LEU N)-(36 LEU CA)-(36 LEU C) -89.4 -49.4 &rst iat = 559, 561, 563, 578, r1 = -90.4, r2 = -89.4, r3 = -49.4, r4 = -48.4, / # 36 GLU PSI: (36 LEU N)-(36 LEU CA)-(36 LEU C)-(37 GLU N) -55.4 -15.4 &rst iat = 561, 563, 578, 580, r1 = -56.4, r2 = -55.4, r3 = -15.4, r4 = -14.4, / # 37 LEU PHI: (36 LEU C)-(37 GLU N)-(37 GLU CA)-(37 GLU C) -99.7 -53.6 &rst iat = 578, 580, 582, 593, r1 = -100.7, r2 = -99.7, r3 = -53.6, r4 = -52.6, / # 37 LEU PSI: (37 GLU N)-(37 GLU CA)-(37 GLU C)-(38 ASP N) -43.2 1.6 &rst iat = 580, 582, 593, 595, r1 = -44.2, r2 = -43.2, r3 = 1.6, r4 = 2.6, / # 38 GLU PHI: (37 GLU C)-(38 ASP N)-(38 ASP CA)-(38 ASP C) -90.5 -50.5 &rst iat = 593, 595, 597, 605, r1 = -91.5, r2 = -90.5, r3 = -50.5, r4 = -49.5, / # 38 GLU PSI: (38 ASP N)-(38 ASP CA)-(38 ASP C)-(39 ILE N) -39.4 0.6 &rst iat = 595, 597, 605, 607, r1 = -40.4, r2 = -39.4, r3 = 0.6, r4 = 1.6, / # 39 ASP PHI: (38 ASP C)-(39 ILE N)-(39 ILE CA)-(39 ILE C) -103.6 -63.6 &rst iat = 605, 607, 609, 624, r1 = -104.6, r2 = -103.6, r3 = -63.6, r4 = -62.6, / # 39 ASP PSI: (39 ILE N)-(39 ILE CA)-(39 ILE C)-(40 GLU N) -30.9 9.1 &rst iat = 607, 609, 624, 626, r1 = -31.9, r2 = -30.9, r3 = 9.1, r4 = 10.1, / # 40 ILE PHI: (39 ILE C)-(40 GLU N)-(40 GLU CA)-(40 GLU C) -102.2 -51.4 &rst iat = 624, 626, 628, 639, r1 = -103.2, r2 = -102.2, r3 = -51.4, r4 = -50.4, / # 40 ILE PSI: (40 GLU N)-(40 GLU CA)-(40 GLU C)-(41 GLY N) 114.9 160.3 &rst iat = 626, 628, 639, 642, r1 = 113.9, r2 = 114.9, r3 = 160.3, r4 = 161.3, / # 43 ASP PHI: (42 MET C)-(43 ASP N)-(43 ASP CA)-(43 ASP C) -79.7 -39.7 &rst iat = 666, 668, 670, 678, r1 = -80.7, r2 = -79.7, r3 = -39.7, r4 = -38.7, / # 43 ASP PSI: (43 ASP N)-(43 ASP CA)-(43 ASP C)-(44 ALA N) -60.1 -20.1 &rst iat = 668, 670, 678, 680, r1 = -61.1, r2 = -60.1, r3 = -20.1, r4 = -19.1, / # 44 ALA PHI: (43 ASP C)-(44 ALA N)-(44 ALA CA)-(44 ALA C) -86.6 -46.6 &rst iat = 678, 680, 682, 688, r1 = -87.6, r2 = -86.6, r3 = -46.6, r4 = -45.6, / # 44 ALA PSI: (44 ALA N)-(44 ALA CA)-(44 ALA C)-(45 ILE N) -59.4 -19.4 &rst iat = 680, 682, 688, 690, r1 = -60.4, r2 = -59.4, r3 = -19.4, r4 = -18.4, / # 45 ILE PHI: (44 ALA C)-(45 ILE N)-(45 ILE CA)-(45 ILE C) -85.8 -45.8 &rst iat = 688, 690, 692, 707, r1 = -86.8, r2 = -85.8, r3 = -45.8, r4 = -44.8, / # 45 ILE PSI: (45 ILE N)-(45 ILE CA)-(45 ILE C)-(46 LYS N) -62.5 -22.5 &rst iat = 690, 692, 707, 709, r1 = -63.5, r2 = -62.5, r3 = -22.5, r4 = -21.5, / # 46 LYS PHI: (45 ILE C)-(46 LYS N)-(46 LYS CA)-(46 LYS C) -84.3 -44.3 &rst iat = 707, 709, 711, 729, r1 = -85.3, r2 = -84.3, r3 = -44.3, r4 = -43.3, / # 46 LYS PSI: (46 LYS N)-(46 LYS CA)-(46 LYS C)-(47 LYS N) -61.1 -21.1 &rst iat = 709, 711, 729, 731, r1 = -62.1, r2 = -61.1, r3 = -21.1, r4 = -20.1, / # 47 LYS PHI: (46 LYS C)-(47 LYS N)-(47 LYS CA)-(47 LYS C) -85.9 -45.9 &rst iat = 729, 731, 733, 751, r1 = -86.9, r2 = -85.9, r3 = -45.9, r4 = -44.9, / # 47 LYS PSI: (47 LYS N)-(47 LYS CA)-(47 LYS C)-(48 LYS N) -59.2 -19.2 &rst iat = 731, 733, 751, 753, r1 = -60.2, r2 = -59.2, r3 = -19.2, r4 = -18.2, / # 48 LYS PHI: (47 LYS C)-(48 LYS N)-(48 LYS CA)-(48 LYS C) -85.7 -45.7 &rst iat = 751, 753, 755, 773, r1 = -86.7, r2 = -85.7, r3 = -45.7, r4 = -44.7, / # 48 LYS PSI: (48 LYS N)-(48 LYS CA)-(48 LYS C)-(49 MET N) -61.5 -21.5 &rst iat = 753, 755, 773, 775, r1 = -62.5, r2 = -61.5, r3 = -21.5, r4 = -20.5, / # 49 MET PHI: (48 LYS C)-(49 MET N)-(49 MET CA)-(49 MET C) -85.0 -45.0 &rst iat = 773, 775, 777, 790, r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0, / # 49 MET PSI: (49 MET N)-(49 MET CA)-(49 MET C)-(50 GLN N) -61.2 -21.2 &rst iat = 775, 777, 790, 792, r1 = -62.2, r2 = -61.2, r3 = -21.2, r4 = -20.2, / # 50 GLN PHI: (49 MET C)-(50 GLN N)-(50 GLN CA)-(50 GLN C) -85.8 -45.8 &rst iat = 790, 792, 794, 807, r1 = -86.8, r2 = -85.8, r3 = -45.8, r4 = -44.8, / # 50 GLN PSI: (50 GLN N)-(50 GLN CA)-(50 GLN C)-(51 MET N) -59.2 -19.2 &rst iat = 792, 794, 807, 809, r1 = -60.2, r2 = -59.2, r3 = -19.2, r4 = -18.2, / # 51 MET PHI: (50 GLN C)-(51 MET N)-(51 MET CA)-(51 MET C) -86.4 -46.4 &rst iat = 807, 809, 811, 824, r1 = -87.4, r2 = -86.4, r3 = -46.4, r4 = -45.4, / # 51 MET PSI: (51 MET N)-(51 MET CA)-(51 MET C)-(52 LEU N) -59.4 -19.4 &rst iat = 809, 811, 824, 826, r1 = -60.4, r2 = -59.4, r3 = -19.4, r4 = -18.4, / # 52 LEU PHI: (51 MET C)-(52 LEU N)-(52 LEU CA)-(52 LEU C) -84.5 -44.5 &rst iat = 824, 826, 828, 843, r1 = -85.5, r2 = -84.5, r3 = -44.5, r4 = -43.5, / # 52 LEU PSI: (52 LEU N)-(52 LEU CA)-(52 LEU C)-(53 LYS N) -61.7 -21.7 &rst iat = 826, 828, 843, 845, r1 = -62.7, r2 = -61.7, r3 = -21.7, r4 = -20.7, / # 53 LYS PHI: (52 LEU C)-(53 LYS N)-(53 LYS CA)-(53 LYS C) -86.6 -46.6 &rst iat = 843, 845, 847, 865, r1 = -87.6, r2 = -86.6, r3 = -46.6, r4 = -45.6, / # 53 LYS PSI: (53 LYS N)-(53 LYS CA)-(53 LYS C)-(54 LEU N) -60.2 -20.2 &rst iat = 845, 847, 865, 867, r1 = -61.2, r2 = -60.2, r3 = -20.2, r4 = -19.2, / # 54 LEU PHI: (53 LYS C)-(54 LEU N)-(54 LEU CA)-(54 LEU C) -84.8 -44.8 &rst iat = 865, 867, 869, 884, r1 = -85.8, r2 = -84.8, r3 = -44.8, r4 = -43.8, / # 54 LEU PSI: (54 LEU N)-(54 LEU CA)-(54 LEU C)-(55 ASP N) -60.8 -20.8 &rst iat = 867, 869, 884, 886, r1 = -61.8, r2 = -60.8, r3 = -20.8, r4 = -19.8, / # 55 ASP PHI: (54 LEU C)-(55 ASP N)-(55 ASP CA)-(55 ASP C) -84.9 -44.9 &rst iat = 884, 886, 888, 896, r1 = -85.9, r2 = -84.9, r3 = -44.9, r4 = -43.9, / # 55 ASP PSI: (55 ASP N)-(55 ASP CA)-(55 ASP C)-(56 ASN N) -60.7 -20.7 &rst iat = 886, 888, 896, 898, r1 = -61.7, r2 = -60.7, r3 = -20.7, r4 = -19.7, / # 56 ASN PHI: (55 ASP C)-(56 ASN N)-(56 ASN CA)-(56 ASN C) -84.9 -44.9 &rst iat = 896, 898, 900, 910, r1 = -85.9, r2 = -84.9, r3 = -44.9, r4 = -43.9, / # 56 ASN PSI: (56 ASN N)-(56 ASN CA)-(56 ASN C)-(57 TYR N) -60.0 -20.0 &rst iat = 898, 900, 910, 912, r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0, / # 57 TYR PHI: (56 ASN C)-(57 TYR N)-(57 TYR CA)-(57 TYR C) -84.6 -44.6 &rst iat = 910, 912, 914, 931, r1 = -85.6, r2 = -84.6, r3 = -44.6, r4 = -43.6, / # 57 TYR PSI: (57 TYR N)-(57 TYR CA)-(57 TYR C)-(58 HIE N) -61.4 -21.4 &rst iat = 912, 914, 931, 933, r1 = -62.4, r2 = -61.4, r3 = -21.4, r4 = -20.4, / # 58 HIS PHI: (57 TYR C)-(58 HIE N)-(58 HIE CA)-(58 HIE C) -84.5 -44.5 &rst iat = 931, 933, 935, 948, r1 = -85.5, r2 = -84.5, r3 = -44.5, r4 = -43.5, / # 58 HIS PSI: (58 HIE N)-(58 HIE CA)-(58 HIE C)-(59 LEU N) -60.1 -20.1 &rst iat = 933, 935, 948, 950, r1 = -61.1, r2 = -60.1, r3 = -20.1, r4 = -19.1, / # 59 LEU PHI: (58 HIE C)-(59 LEU N)-(59 LEU CA)-(59 LEU C) -84.2 -44.2 &rst iat = 948, 950, 952, 967, r1 = -85.2, r2 = -84.2, r3 = -44.2, r4 = -43.2, / # 59 LEU PSI: (59 LEU N)-(59 LEU CA)-(59 LEU C)-(60 GLU N) -63.5 -23.5 &rst iat = 950, 952, 967, 969, r1 = -64.5, r2 = -63.5, r3 = -23.5, r4 = -22.5, / # 60 GLU PHI: (59 LEU C)-(60 GLU N)-(60 GLU CA)-(60 GLU C) -82.7 -42.7 &rst iat = 967, 969, 971, 982, r1 = -83.7, r2 = -82.7, r3 = -42.7, r4 = -41.7, / # 60 GLU PSI: (60 GLU N)-(60 GLU CA)-(60 GLU C)-(61 ASN N) -60.0 -20.0 &rst iat = 969, 971, 982, 984, r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0, / # 61 ASN PHI: (60 GLU C)-(61 ASN N)-(61 ASN CA)-(61 ASN C) -86.6 -46.6 &rst iat = 982, 984, 986, 996, r1 = -87.6, r2 = -86.6, r3 = -46.6, r4 = -45.6, / # 61 ASN PSI: (61 ASN N)-(61 ASN CA)-(61 ASN C)-(62 GLU N) -58.2 -18.2 &rst iat = 984, 986, 996, 998, r1 = -59.2, r2 = -58.2, r3 = -18.2, r4 = -17.2, / # 62 GLU PHI: (61 ASN C)-(62 GLU N)-(62 GLU CA)-(62 GLU C) -87.6 -47.6 &rst iat = 996, 998, 1000, 1011, r1 = -88.6, r2 = -87.6, r3 = -47.6, r4 = -46.6, / # 62 GLU PSI: (62 GLU N)-(62 GLU CA)-(62 GLU C)-(63 VAL N) -59.6 -19.6 &rst iat = 998, 1000, 1011, 1013, r1 = -60.6, r2 = -59.6, r3 = -19.6, r4 = -18.6, / # 63 VAL PHI: (62 GLU C)-(63 VAL N)-(63 VAL CA)-(63 VAL C) -82.5 -42.5 &rst iat = 1011, 1013, 1015, 1027, r1 = -83.5, r2 = -82.5, r3 = -42.5, r4 = -41.5, / # 63 VAL PSI: (63 VAL N)-(63 VAL CA)-(63 VAL C)-(64 ALA N) -63.2 -23.2 &rst iat = 1013, 1015, 1027, 1029, r1 = -64.2, r2 = -63.2, r3 = -23.2, r4 = -22.2, / # 64 ALA PHI: (63 VAL C)-(64 ALA N)-(64 ALA CA)-(64 ALA C) -84.6 -44.6 &rst iat = 1027, 1029, 1031, 1037, r1 = -85.6, r2 = -84.6, r3 = -44.6, r4 = -43.6, / # 64 ALA PSI: (64 ALA N)-(64 ALA CA)-(64 ALA C)-(65 ARG N) -57.6 -17.6 &rst iat = 1029, 1031, 1037, 1039, r1 = -58.6, r2 = -57.6, r3 = -17.6, r4 = -16.6, / # 65 ARG PHI: (64 ALA C)-(65 ARG N)-(65 ARG CA)-(65 ARG C) -84.6 -44.6 &rst iat = 1037, 1039, 1041, 1061, r1 = -85.6, r2 = -84.6, r3 = -44.6, r4 = -43.6, / # 65 ARG PSI: (65 ARG N)-(65 ARG CA)-(65 ARG C)-(66 LEU N) -63.1 -23.1 &rst iat = 1039, 1041, 1061, 1063, r1 = -64.1, r2 = -63.1, r3 = -23.1, r4 = -22.1, / # 66 LEU PHI: (65 ARG C)-(66 LEU N)-(66 LEU CA)-(66 LEU C) -85.6 -45.6 &rst iat = 1061, 1063, 1065, 1080, r1 = -86.6, r2 = -85.6, r3 = -45.6, r4 = -44.6, / # 66 LEU PSI: (66 LEU N)-(66 LEU CA)-(66 LEU C)-(67 LYS N) -61.3 -21.3 &rst iat = 1063, 1065, 1080, 1082, r1 = -62.3, r2 = -61.3, r3 = -21.3, r4 = -20.3, / # 67 LYS PHI: (66 LEU C)-(67 LYS N)-(67 LYS CA)-(67 LYS C) -81.3 -41.3 &rst iat = 1080, 1082, 1084, 1102, r1 = -82.3, r2 = -81.3, r3 = -41.3, r4 = -40.3, / # 67 LYS PSI: (67 LYS N)-(67 LYS CA)-(67 LYS C)-(68 LYS N) -60.2 -20.2 &rst iat = 1082, 1084, 1102, 1104, r1 = -61.2, r2 = -60.2, r3 = -20.2, r4 = -19.2, / # 68 LYS PHI: (67 LYS C)-(68 LYS N)-(68 LYS CA)-(68 LYS C) -88.8 -48.8 &rst iat = 1102, 1104, 1106, 1124, r1 = -89.8, r2 = -88.8, r3 = -48.8, r4 = -47.8, / # 68 LYS PSI: (68 LYS N)-(68 LYS CA)-(68 LYS C)-(69 LEU N) -58.8 -18.8 &rst iat = 1104, 1106, 1124, 1126, r1 = -59.8, r2 = -58.8, r3 = -18.8, r4 = -17.8, / # 69 LEU PHI: (68 LYS C)-(69 LEU N)-(69 LEU CA)-(69 LEU C) -89.8 -49.8 &rst iat = 1124, 1126, 1128, 1143, r1 = -90.8, r2 = -89.8, r3 = -49.8, r4 = -48.8, / # 69 LEU PSI: (69 LEU N)-(69 LEU CA)-(69 LEU C)-(70 VAL N) -54.9 -14.9 &rst iat = 1126, 1128, 1143, 1145, r1 = -55.9, r2 = -54.9, r3 = -14.9, r4 = -13.9, / # 70 VAL PHI: (69 LEU C)-(70 VAL N)-(70 VAL CA)-(70 VAL C) -103.1 -63.1 &rst iat = 1143, 1145, 1147, 1159, r1 = -104.1, r2 = -103.1, r3 = -63.1, r4 = -62.1, / # 70 VAL PSI: (70 VAL N)-(70 VAL CA)-(70 VAL C)-(71 GLY N) -31.9 8.1 &rst iat = 1145, 1147, 1159, 1161, r1 = -32.9, r2 = -31.9, r3 = 8.1, r4 = 9.1, / # 71 GLY PHI: (70 VAL C)-(71 GLY N)-(71 GLY CA)-(71 GLY C) 54.6 94.8 &rst iat = 1159, 1161, 1163, 1166, r1 = 53.6, r2 = 54.6, r3 = 94.8, r4 = 95.8, / # 71 GLY PSI: (71 GLY N)-(71 GLY CA)-(71 GLY C)-(72 GLU N) 0.7 40.7 &rst iat = 1161, 1163, 1166, 1168, r1 = -0.3, r2 = 0.7, r3 = 40.7, r4 = 41.7, / # 76 ASP PHI: (75 MET C)-(76 ASP N)-(76 ASP CA)-(76 ASP C) -79.7 -39.7 &rst iat = 1232, 1234, 1236, 1244, r1 = -80.7, r2 = -79.7, r3 = -39.7, r4 = -38.7, / # 76 ASP PSI: (76 ASP N)-(76 ASP CA)-(76 ASP C)-(77 ALA N) -60.1 -20.1 &rst iat = 1234, 1236, 1244, 1246, r1 = -61.1, r2 = -60.1, r3 = -20.1, r4 = -19.1, / # 77 ALA PHI: (76 ASP C)-(77 ALA N)-(77 ALA CA)-(77 ALA C) -86.6 -46.6 &rst iat = 1244, 1246, 1248, 1254, r1 = -87.6, r2 = -86.6, r3 = -46.6, r4 = -45.6, / # 77 ALA PSI: (77 ALA N)-(77 ALA CA)-(77 ALA C)-(78 ILE N) -59.4 -19.4 &rst iat = 1246, 1248, 1254, 1256, r1 = -60.4, r2 = -59.4, r3 = -19.4, r4 = -18.4, / # 78 ILE PHI: (77 ALA C)-(78 ILE N)-(78 ILE CA)-(78 ILE C) -85.8 -45.8 &rst iat = 1254, 1256, 1258, 1273, r1 = -86.8, r2 = -85.8, r3 = -45.8, r4 = -44.8, / # 78 ILE PSI: (78 ILE N)-(78 ILE CA)-(78 ILE C)-(79 LYS N) -62.5 -22.5 &rst iat = 1256, 1258, 1273, 1275, r1 = -63.5, r2 = -62.5, r3 = -22.5, r4 = -21.5, / # 79 LYS PHI: (78 ILE C)-(79 LYS N)-(79 LYS CA)-(79 LYS C) -84.3 -44.3 &rst iat = 1273, 1275, 1277, 1295, r1 = -85.3, r2 = -84.3, r3 = -44.3, r4 = -43.3, / # 79 LYS PSI: (79 LYS N)-(79 LYS CA)-(79 LYS C)-(80 LYS N) -61.1 -21.1 &rst iat = 1275, 1277, 1295, 1297, r1 = -62.1, r2 = -61.1, r3 = -21.1, r4 = -20.1, / # 80 LYS PHI: (79 LYS C)-(80 LYS N)-(80 LYS CA)-(80 LYS C) -85.9 -45.9 &rst iat = 1295, 1297, 1299, 1317, r1 = -86.9, r2 = -85.9, r3 = -45.9, r4 = -44.9, / # 80 LYS PSI: (80 LYS N)-(80 LYS CA)-(80 LYS C)-(81 LYS N) -59.2 -19.2 &rst iat = 1297, 1299, 1317, 1319, r1 = -60.2, r2 = -59.2, r3 = -19.2, r4 = -18.2, / # 81 LYS PHI: (80 LYS C)-(81 LYS N)-(81 LYS CA)-(81 LYS C) -85.7 -45.7 &rst iat = 1317, 1319, 1321, 1339, r1 = -86.7, r2 = -85.7, r3 = -45.7, r4 = -44.7, / # 81 LYS PSI: (81 LYS N)-(81 LYS CA)-(81 LYS C)-(82 MET N) -61.5 -21.5 &rst iat = 1319, 1321, 1339, 1341, r1 = -62.5, r2 = -61.5, r3 = -21.5, r4 = -20.5, / # 82 MET PHI: (81 LYS C)-(82 MET N)-(82 MET CA)-(82 MET C) -85.0 -45.0 &rst iat = 1339, 1341, 1343, 1356, r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0, / # 82 MET PSI: (82 MET N)-(82 MET CA)-(82 MET C)-(83 GLN N) -61.2 -21.2 &rst iat = 1341, 1343, 1356, 1358, r1 = -62.2, r2 = -61.2, r3 = -21.2, r4 = -20.2, / # 83 GLN PHI: (82 MET C)-(83 GLN N)-(83 GLN CA)-(83 GLN C) -85.8 -45.8 &rst iat = 1356, 1358, 1360, 1373, r1 = -86.8, r2 = -85.8, r3 = -45.8, r4 = -44.8, / # 83 GLN PSI: (83 GLN N)-(83 GLN CA)-(83 GLN C)-(84 MET N) -59.2 -19.2 &rst iat = 1358, 1360, 1373, 1375, r1 = -60.2, r2 = -59.2, r3 = -19.2, r4 = -18.2, / # 84 MET PHI: (83 GLN C)-(84 MET N)-(84 MET CA)-(84 MET C) -86.4 -46.4 &rst iat = 1373, 1375, 1377, 1390, r1 = -87.4, r2 = -86.4, r3 = -46.4, r4 = -45.4, / # 84 MET PSI: (84 MET N)-(84 MET CA)-(84 MET C)-(85 LEU N) -59.4 -19.4 &rst iat = 1375, 1377, 1390, 1392, r1 = -60.4, r2 = -59.4, r3 = -19.4, r4 = -18.4, / # 85 LEU PHI: (84 MET C)-(85 LEU N)-(85 LEU CA)-(85 LEU C) -84.5 -44.5 &rst iat = 1390, 1392, 1394, 1409, r1 = -85.5, r2 = -84.5, r3 = -44.5, r4 = -43.5, / # 85 LEU PSI: (85 LEU N)-(85 LEU CA)-(85 LEU C)-(86 LYS N) -61.7 -21.7 &rst iat = 1392, 1394, 1409, 1411, r1 = -62.7, r2 = -61.7, r3 = -21.7, r4 = -20.7, / # 86 LYS PHI: (85 LEU C)-(86 LYS N)-(86 LYS CA)-(86 LYS C) -86.6 -46.6 &rst iat = 1409, 1411, 1413, 1431, r1 = -87.6, r2 = -86.6, r3 = -46.6, r4 = -45.6, / # 86 LYS PSI: (86 LYS N)-(86 LYS CA)-(86 LYS C)-(87 LEU N) -60.2 -20.2 &rst iat = 1411, 1413, 1431, 1433, r1 = -61.2, r2 = -60.2, r3 = -20.2, r4 = -19.2, / # 87 LEU PHI: (86 LYS C)-(87 LEU N)-(87 LEU CA)-(87 LEU C) -84.8 -44.8 &rst iat = 1431, 1433, 1435, 1450, r1 = -85.8, r2 = -84.8, r3 = -44.8, r4 = -43.8, / # 87 LEU PSI: (87 LEU N)-(87 LEU CA)-(87 LEU C)-(88 ASP N) -60.8 -20.8 &rst iat = 1433, 1435, 1450, 1452, r1 = -61.8, r2 = -60.8, r3 = -20.8, r4 = -19.8, / # 88 ASP PHI: (87 LEU C)-(88 ASP N)-(88 ASP CA)-(88 ASP C) -84.9 -44.9 &rst iat = 1450, 1452, 1454, 1462, r1 = -85.9, r2 = -84.9, r3 = -44.9, r4 = -43.9, / # 88 ASP PSI: (88 ASP N)-(88 ASP CA)-(88 ASP C)-(89 ASN N) -60.7 -20.7 &rst iat = 1452, 1454, 1462, 1464, r1 = -61.7, r2 = -60.7, r3 = -20.7, r4 = -19.7, / # 89 ASN PHI: (88 ASP C)-(89 ASN N)-(89 ASN CA)-(89 ASN C) -84.9 -44.9 &rst iat = 1462, 1464, 1466, 1476, r1 = -85.9, r2 = -84.9, r3 = -44.9, r4 = -43.9, / # 89 ASN PSI: (89 ASN N)-(89 ASN CA)-(89 ASN C)-(90 TYR N) -60.0 -20.0 &rst iat = 1464, 1466, 1476, 1478, r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0, / # 90 TYR PHI: (89 ASN C)-(90 TYR N)-(90 TYR CA)-(90 TYR C) -84.6 -44.6 &rst iat = 1476, 1478, 1480, 1497, r1 = -85.6, r2 = -84.6, r3 = -44.6, r4 = -43.6, / # 90 TYR PSI: (90 TYR N)-(90 TYR CA)-(90 TYR C)-(91 HIE N) -61.4 -21.4 &rst iat = 1478, 1480, 1497, 1499, r1 = -62.4, r2 = -61.4, r3 = -21.4, r4 = -20.4, / # 91 HIS PHI: (90 TYR C)-(91 HIE N)-(91 HIE CA)-(91 HIE C) -84.5 -44.5 &rst iat = 1497, 1499, 1501, 1514, r1 = -85.5, r2 = -84.5, r3 = -44.5, r4 = -43.5, / # 91 HIS PSI: (91 HIE N)-(91 HIE CA)-(91 HIE C)-(92 LEU N) -60.1 -20.1 &rst iat = 1499, 1501, 1514, 1516, r1 = -61.1, r2 = -60.1, r3 = -20.1, r4 = -19.1, / # 92 LEU PHI: (91 HIE C)-(92 LEU N)-(92 LEU CA)-(92 LEU C) -84.2 -44.2 &rst iat = 1514, 1516, 1518, 1533, r1 = -85.2, r2 = -84.2, r3 = -44.2, r4 = -43.2, / # 92 LEU PSI: (92 LEU N)-(92 LEU CA)-(92 LEU C)-(93 GLU N) -63.5 -23.5 &rst iat = 1516, 1518, 1533, 1535, r1 = -64.5, r2 = -63.5, r3 = -23.5, r4 = -22.5, / # 93 GLU PHI: (92 LEU C)-(93 GLU N)-(93 GLU CA)-(93 GLU C) -82.7 -42.7 &rst iat = 1533, 1535, 1537, 1548, r1 = -83.7, r2 = -82.7, r3 = -42.7, r4 = -41.7, / # 93 GLU PSI: (93 GLU N)-(93 GLU CA)-(93 GLU C)-(94 ASN N) -60.0 -20.0 &rst iat = 1535, 1537, 1548, 1550, r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0, / # 94 ASN PHI: (93 GLU C)-(94 ASN N)-(94 ASN CA)-(94 ASN C) -86.6 -46.6 &rst iat = 1548, 1550, 1552, 1562, r1 = -87.6, r2 = -86.6, r3 = -46.6, r4 = -45.6, / # 94 ASN PSI: (94 ASN N)-(94 ASN CA)-(94 ASN C)-(95 GLU N) -58.2 -18.2 &rst iat = 1550, 1552, 1562, 1564, r1 = -59.2, r2 = -58.2, r3 = -18.2, r4 = -17.2, / # 95 GLU PHI: (94 ASN C)-(95 GLU N)-(95 GLU CA)-(95 GLU C) -87.6 -47.6 &rst iat = 1562, 1564, 1566, 1577, r1 = -88.6, r2 = -87.6, r3 = -47.6, r4 = -46.6, / # 95 GLU PSI: (95 GLU N)-(95 GLU CA)-(95 GLU C)-(96 VAL N) -59.6 -19.6 &rst iat = 1564, 1566, 1577, 1579, r1 = -60.6, r2 = -59.6, r3 = -19.6, r4 = -18.6, / # 96 VAL PHI: (95 GLU C)-(96 VAL N)-(96 VAL CA)-(96 VAL C) -82.5 -42.5 &rst iat = 1577, 1579, 1581, 1593, r1 = -83.5, r2 = -82.5, r3 = -42.5, r4 = -41.5, / # 96 VAL PSI: (96 VAL N)-(96 VAL CA)-(96 VAL C)-(97 ALA N) -63.2 -23.2 &rst iat = 1579, 1581, 1593, 1595, r1 = -64.2, r2 = -63.2, r3 = -23.2, r4 = -22.2, / # 97 ALA PHI: (96 VAL C)-(97 ALA N)-(97 ALA CA)-(97 ALA C) -84.6 -44.6 &rst iat = 1593, 1595, 1597, 1603, r1 = -85.6, r2 = -84.6, r3 = -44.6, r4 = -43.6, / # 97 ALA PSI: (97 ALA N)-(97 ALA CA)-(97 ALA C)-(98 ARG N) -57.6 -17.6 &rst iat = 1595, 1597, 1603, 1605, r1 = -58.6, r2 = -57.6, r3 = -17.6, r4 = -16.6, / # 98 ARG PHI: (97 ALA C)-(98 ARG N)-(98 ARG CA)-(98 ARG C) -84.6 -44.6 &rst iat = 1603, 1605, 1607, 1627, r1 = -85.6, r2 = -84.6, r3 = -44.6, r4 = -43.6, / # 98 ARG PSI: (98 ARG N)-(98 ARG CA)-(98 ARG C)-(99 LEU N) -63.1 -23.1 &rst iat = 1605, 1607, 1627, 1629, r1 = -64.1, r2 = -63.1, r3 = -23.1, r4 = -22.1, / # 99 LEU PHI: (98 ARG C)-(99 LEU N)-(99 LEU CA)-(99 LEU C) -85.6 -45.6 &rst iat = 1627, 1629, 1631, 1646, r1 = -86.6, r2 = -85.6, r3 = -45.6, r4 = -44.6, / # 99 LEU PSI: (99 LEU N)-(99 LEU CA)-(99 LEU C)-(100 LYS N) -61.3 -21.3 &rst iat = 1629, 1631, 1646, 1648, r1 = -62.3, r2 = -61.3, r3 = -21.3, r4 = -20.3, / # 100 LYS PHI: (99 LEU C)-(100 LYS N)-(100 LYS CA)-(100 LYS C) -81.3 -41.3 &rst iat = 1646, 1648, 1650, 1668, r1 = -82.3, r2 = -81.3, r3 = -41.3, r4 = -40.3, / # 100 LYS PSI: (100 LYS N)-(100 LYS CA)-(100 LYS C)-(101 LYS N) -60.2 -20.2 &rst iat = 1648, 1650, 1668, 1670, r1 = -61.2, r2 = -60.2, r3 = -20.2, r4 = -19.2, / # 101 LYS PHI: (100 LYS C)-(101 LYS N)-(101 LYS CA)-(101 LYS C) -88.8 -48.8 &rst iat = 1668, 1670, 1672, 1690, r1 = -89.8, r2 = -88.8, r3 = -48.8, r4 = -47.8, / # 101 LYS PSI: (101 LYS N)-(101 LYS CA)-(101 LYS C)-(102 LEU N) -58.8 -18.8 &rst iat = 1670, 1672, 1690, 1692, r1 = -59.8, r2 = -58.8, r3 = -18.8, r4 = -17.8, / # 102 LEU PHI: (101 LYS C)-(102 LEU N)-(102 LEU CA)-(102 LEU C) -89.8 -49.8 &rst iat = 1690, 1692, 1694, 1709, r1 = -90.8, r2 = -89.8, r3 = -49.8, r4 = -48.8, / # 102 LEU PSI: (102 LEU N)-(102 LEU CA)-(102 LEU C)-(103 VAL N) -54.9 -14.9 &rst iat = 1692, 1694, 1709, 1711, r1 = -55.9, r2 = -54.9, r3 = -14.9, r4 = -13.9, / # 103 VAL PHI: (102 LEU C)-(103 VAL N)-(103 VAL CA)-(103 VAL C) -103.1 -63.1 &rst iat = 1709, 1711, 1713, 1725, r1 = -104.1, r2 = -103.1, r3 = -63.1, r4 = -62.1, / # 103 VAL PSI: (103 VAL N)-(103 VAL CA)-(103 VAL C)-(104 GLY N) -31.9 8.1 &rst iat = 1711, 1713, 1725, 1727, r1 = -32.9, r2 = -31.9, r3 = 8.1, r4 = 9.1, / # 104 GLY PHI: (103 VAL C)-(104 GLY N)-(104 GLY CA)-(104 GLY C) 54.6 94.8 &rst iat = 1725, 1727, 1729, 1732, r1 = 53.6, r2 = 54.6, r3 = 94.8, r4 = 95.8, / # 104 GLY PSI: (104 GLY N)-(104 GLY CA)-(104 GLY C)-(105 GLU N) 0.7 40.7 &rst iat = 1727, 1729, 1732, 1734, r1 = -0.3, r2 = 0.7, r3 = 40.7, r4 = 41.7, / # Restraints file 2: new_basis_model_ff14SB_min.rst
Contact the webmaster for help, if required. Sunday, May 5, 2024 4:56:58 AM GMT (wattos1)