NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
635065 |
6ia4   |
34332 | cing | 1-original | 3 | AMBER | dihedral angle |
################################################ # Backbone angles (oxoG21 DELTA is not included) ################################################ # 2 DT ALPHA: (1 DT5 O3')-(2 DT P)-(2 DT O5')-(2 DT C5') -120.0 120.0 &rst iat = 30, 31, 34, 35, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, rk2 = 200.0, rk3 = 200.0, &end # 3 DG ALPHA: (2 DT O3')-(3 DG P)-(3 DG O5')-(3 DG C5') -120.0 120.0 &rst iat = 62, 63, 66, 67, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 4 DG ALPHA: (3 DG O3')-(4 DG P)-(4 DG O5')-(4 DG C5') -120.0 120.0 &rst iat = 95, 96, 99, 100, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 5 DG ALPHA: (4 DG O3')-(5 DG P)-(5 DG O5')-(5 DG C5') -120.0 120.0 &rst iat = 128, 129, 132, 133, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 6 DT ALPHA: (5 DG O3')-(6 DT P)-(6 DT O5')-(6 DT C5') -120.0 120.0 &rst iat = 161, 162, 165, 166, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 7 DT ALPHA: (6 DT O3')-(7 DT P)-(7 DT O5')-(7 DT C5') -120.0 120.0 &rst iat = 193, 194, 197, 198, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 8 DA ALPHA: (7 DT O3')-(8 DA P)-(8 DA O5')-(8 DA C5') -120.0 120.0 &rst iat = 225, 226, 229, 230, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 9 DG ALPHA: (8 DA O3')-(9 DG P)-(9 DG O5')-(9 DG C5') -120.0 120.0 &rst iat = 257, 258, 261, 262, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 10 DG ALPHA: (9 DG O3')-(10 DG P)-(10 DG O5')-(10 DG C5') -120.0 120.0 &rst iat = 290, 291, 294, 295, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 11 DG ALPHA: (10 DG O3')-(11 DG P)-(11 DG O5')-(11 DG C5') -120.0 120.0 &rst iat = 323, 324, 327, 328, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 12 DT ALPHA: (11 DG O3')-(12 DT P)-(12 DT O5')-(12 DT C5') -120.0 120.0 &rst iat = 356, 357, 360, 361, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 13 DT ALPHA: (12 DT O3')-(13 DT P)-(13 DT O5')-(13 DT C5') -120.0 120.0 &rst iat = 388, 389, 392, 393, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 14 DA ALPHA: (13 DT O3')-(14 DA P)-(14 DA O5')-(14 DA C5') -120.0 120.0 &rst iat = 420, 421, 424, 425, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 15 DG ALPHA: (14 DA O3')-(15 DG P)-(15 DG O5')-(15 DG C5') -120.0 120.0 &rst iat = 452, 453, 456, 457, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 16 DG ALPHA: (15 DG O3')-(16 DG P)-(16 DG O5')-(16 DG C5') -120.0 120.0 &rst iat = 485, 486, 489, 490, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 17 DG ALPHA: (16 DG O3')-(17 DG P)-(17 DG O5')-(17 DG C5') -120.0 120.0 &rst iat = 518, 519, 522, 523, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 18 DT ALPHA: (17 DG O3')-(18 DT P)-(18 DT O5')-(18 DT C5') -120.0 120.0 &rst iat = 551, 552, 555, 556, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 19 DT ALPHA: (18 DT O3')-(19 DT P)-(19 DT O5')-(19 DT C5') -120.0 120.0 &rst iat = 583, 584, 587, 588, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 20 DA ALPHA: (19 DT O3')-(20 DA P)-(20 DA O5')-(20 DA C5') -120.0 120.0 &rst iat = 615, 616, 619, 620, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 21 DG ALPHA: (20 DA O3')-(21 DGO P)-(21 DGO O5')-(21 DGO C5') -120.0 120.0 &rst iat = 647, 648, 651, 652, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 22 DG ALPHA: (21 DGO O3')-(22 DG P)-(22 DG O5')-(22 DG C5') -120.0 120.0 &rst iat = 681, 682, 685, 686, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 23 DG ALPHA: (22 DG O3')-(23 DG P)-(23 DG O5')-(23 DG C5') -120.0 120.0 &rst iat = 714, 715, 718, 719, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 24 DA ALPHA: (23 DG O3')-(24 DA3 P)-(24 DA3 O5')-(24 DA3 C5') -120.0 120.0 &rst iat = 747, 748, 751, 752, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 2 DT BETA: (2 DT P)-(2 DT O5')-(2 DT C5')-(2 DT C4') 150.0 210.0 &rst iat = 31, 34, 35, 38, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 3 DG BETA: (3 DG P)-(3 DG O5')-(3 DG C5')-(3 DG C4') 150.0 210.0 &rst iat = 63, 66, 67, 70, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 4 DG BETA: (4 DG P)-(4 DG O5')-(4 DG C5')-(4 DG C4') 150.0 210.0 &rst iat = 96, 99, 100, 103, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 5 DG BETA: (5 DG P)-(5 DG O5')-(5 DG C5')-(5 DG C4') 150.0 210.0 &rst iat = 129, 132, 133, 136, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 6 DT BETA: (6 DT P)-(6 DT O5')-(6 DT C5')-(6 DT C4') 150.0 210.0 &rst iat = 162, 165, 166, 169, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 7 DT BETA: (7 DT P)-(7 DT O5')-(7 DT C5')-(7 DT C4') 150.0 210.0 &rst iat = 194, 197, 198, 201, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 8 DA BETA: (8 DA P)-(8 DA O5')-(8 DA C5')-(8 DA C4') 150.0 210.0 &rst iat = 226, 229, 230, 233, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 9 DG BETA: (9 DG P)-(9 DG O5')-(9 DG C5')-(9 DG C4') 150.0 210.0 &rst iat = 258, 261, 262, 265, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 10 DG BETA: (10 DG P)-(10 DG O5')-(10 DG C5')-(10 DG C4') 150.0 210.0 &rst iat = 291, 294, 295, 298, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 11 DG BETA: (11 DG P)-(11 DG O5')-(11 DG C5')-(11 DG C4') 150.0 210.0 &rst iat = 324, 327, 328, 331, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 12 DT BETA: (12 DT P)-(12 DT O5')-(12 DT C5')-(12 DT C4') 150.0 210.0 &rst iat = 357, 360, 361, 364, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 13 DT BETA: (13 DT P)-(13 DT O5')-(13 DT C5')-(13 DT C4') 150.0 210.0 &rst iat = 389, 392, 393, 396, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 14 DA BETA: (14 DA P)-(14 DA O5')-(14 DA C5')-(14 DA C4') 150.0 210.0 &rst iat = 421, 424, 425, 428, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 15 DG BETA: (15 DG P)-(15 DG O5')-(15 DG C5')-(15 DG C4') 150.0 210.0 &rst iat = 453, 456, 457, 460, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 16 DG BETA: (16 DG P)-(16 DG O5')-(16 DG C5')-(16 DG C4') 150.0 210.0 &rst iat = 486, 489, 490, 493, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 17 DG BETA: (17 DG P)-(17 DG O5')-(17 DG C5')-(17 DG C4') 150.0 210.0 &rst iat = 519, 522, 523, 526, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 18 DT BETA: (18 DT P)-(18 DT O5')-(18 DT C5')-(18 DT C4') 150.0 210.0 &rst iat = 552, 555, 556, 559, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 19 DT BETA: (19 DT P)-(19 DT O5')-(19 DT C5')-(19 DT C4') 150.0 210.0 &rst iat = 584, 587, 588, 591, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 20 DA BETA: (20 DA P)-(20 DA O5')-(20 DA C5')-(20 DA C4') 150.0 210.0 &rst iat = 616, 619, 620, 623, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 21 DG BETA: (21 DGO P)-(21 DGO O5')-(21 DGO C5')-(21 DGO C4') 150.0 210.0 &rst iat = 648, 651, 652, 655, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 22 DG BETA: (22 DG P)-(22 DG O5')-(22 DG C5')-(22 DG C4') 150.0 210.0 &rst iat = 682, 685, 686, 689, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 23 DG BETA: (23 DG P)-(23 DG O5')-(23 DG C5')-(23 DG C4') 150.0 210.0 &rst iat = 715, 718, 719, 722, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 24 DA BETA: (24 DA3 P)-(24 DA3 O5')-(24 DA3 C5')-(24 DA3 C4') 150.0 210.0 &rst iat = 748, 751, 752, 755, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 1 DT GAMMA: (1 DT5 O5')-(1 DT5 C5')-(1 DT5 C4')-(1 DT5 C3') 30.0 90.0 &rst iat = 2, 3, 6, 25, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 2 DT GAMMA: (2 DT O5')-(2 DT C5')-(2 DT C4')-(2 DT C3') 30.0 90.0 &rst iat = 34, 35, 38, 57, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 3 DG GAMMA: (3 DG O5')-(3 DG C5')-(3 DG C4')-(3 DG C3') 30.0 90.0 &rst iat = 66, 67, 70, 90, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 4 DG GAMMA: (4 DG O5')-(4 DG C5')-(4 DG C4')-(4 DG C3') 30.0 90.0 &rst iat = 99, 100, 103, 123, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 5 DG GAMMA: (5 DG O5')-(5 DG C5')-(5 DG C4')-(5 DG C3') 30.0 90.0 &rst iat = 132, 133, 136, 156, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 6 DT GAMMA: (6 DT O5')-(6 DT C5')-(6 DT C4')-(6 DT C3') 30.0 90.0 &rst iat = 165, 166, 169, 188, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 7 DT GAMMA: (7 DT O5')-(7 DT C5')-(7 DT C4')-(7 DT C3') 30.0 90.0 &rst iat = 197, 198, 201, 220, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 8 DA GAMMA: (8 DA O5')-(8 DA C5')-(8 DA C4')-(8 DA C3') 30.0 90.0 &rst iat = 229, 230, 233, 252, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 9 DG GAMMA: (9 DG O5')-(9 DG C5')-(9 DG C4')-(9 DG C3') 30.0 90.0 &rst iat = 261, 262, 265, 285, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 10 DG GAMMA: (10 DG O5')-(10 DG C5')-(10 DG C4')-(10 DG C3') 30.0 90.0 &rst iat = 294, 295, 298, 318, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 11 DG GAMMA: (11 DG O5')-(11 DG C5')-(11 DG C4')-(11 DG C3') 30.0 90.0 &rst iat = 327, 328, 331, 351, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 12 DT GAMMA: (12 DT O5')-(12 DT C5')-(12 DT C4')-(12 DT C3') 30.0 90.0 &rst iat = 360, 361, 364, 383, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 13 DT GAMMA: (13 DT O5')-(13 DT C5')-(13 DT C4')-(13 DT C3') 30.0 90.0 &rst iat = 392, 393, 396, 415, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 14 DA GAMMA: (14 DA O5')-(14 DA C5')-(14 DA C4')-(14 DA C3') 30.0 90.0 &rst iat = 424, 425, 428, 447, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 15 DG GAMMA: (15 DG O5')-(15 DG C5')-(15 DG C4')-(15 DG C3') 30.0 90.0 &rst iat = 456, 457, 460, 480, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 16 DG GAMMA: (16 DG O5')-(16 DG C5')-(16 DG C4')-(16 DG C3') 30.0 90.0 &rst iat = 489, 490, 493, 513, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 17 DG GAMMA: (17 DG O5')-(17 DG C5')-(17 DG C4')-(17 DG C3') 30.0 90.0 &rst iat = 522, 523, 526, 546, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 18 DT GAMMA: (18 DT O5')-(18 DT C5')-(18 DT C4')-(18 DT C3') 30.0 90.0 &rst iat = 555, 556, 559, 578, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 19 DT GAMMA: (19 DT O5')-(19 DT C5')-(19 DT C4')-(19 DT C3') 30.0 90.0 &rst iat = 587, 588, 591, 610, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 20 DA GAMMA: (20 DA O5')-(20 DA C5')-(20 DA C4')-(20 DA C3') 30.0 90.0 &rst iat = 619, 620, 623, 642, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 21 DG GAMMA: (21 DGO O5')-(21 DGO C5')-(21 DGO C4')-(21 DGO C3') 30.0 90.0 &rst iat = 651, 652, 655, 676, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 22 DG GAMMA: (22 DG O5')-(22 DG C5')-(22 DG C4')-(22 DG C3') 30.0 90.0 &rst iat = 685, 686, 689, 709, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 23 DG GAMMA: (23 DG O5')-(23 DG C5')-(23 DG C4')-(23 DG C3') 30.0 90.0 &rst iat = 718, 719, 722, 742, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 24 DA GAMMA: (24 DA3 O5')-(24 DA3 C5')-(24 DA3 C4')-(24 DA3 C3') 30.0 90.0 &rst iat = 751, 752, 755, 774, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, &end # 1 DT EPSLN: (1 DT5 C4')-(1 DT5 C3')-(1 DT5 O3')-(2 DT P) 170.0 300.0 &rst iat = 6, 25, 30, 31, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 2 DT EPSLN: (2 DT C4')-(2 DT C3')-(2 DT O3')-(3 DG P) 170.0 300.0 &rst iat = 38, 57, 62, 63, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 3 DG EPSLN: (3 DG C4')-(3 DG C3')-(3 DG O3')-(4 DG P) 170.0 300.0 &rst iat = 70, 90, 95, 96, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 4 DG EPSLN: (4 DG C4')-(4 DG C3')-(4 DG O3')-(5 DG P) 170.0 300.0 &rst iat = 103, 123, 128, 129, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 5 DG EPSLN: (5 DG C4')-(5 DG C3')-(5 DG O3')-(6 DT P) 170.0 300.0 &rst iat = 136, 156, 161, 162, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 6 DT EPSLN: (6 DT C4')-(6 DT C3')-(6 DT O3')-(7 DT P) 170.0 300.0 &rst iat = 169, 188, 193, 194, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 7 DT EPSLN: (7 DT C4')-(7 DT C3')-(7 DT O3')-(8 DA P) 170.0 300.0 &rst iat = 201, 220, 225, 226, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 8 DA EPSLN: (8 DA C4')-(8 DA C3')-(8 DA O3')-(9 DG P) 170.0 300.0 &rst iat = 233, 252, 257, 258, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 9 DG EPSLN: (9 DG C4')-(9 DG C3')-(9 DG O3')-(10 DG P) 170.0 300.0 &rst iat = 265, 285, 290, 291, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 10 DG EPSLN: (10 DG C4')-(10 DG C3')-(10 DG O3')-(11 DG P) 170.0 300.0 &rst iat = 298, 318, 323, 324, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 11 DG EPSLN: (11 DG C4')-(11 DG C3')-(11 DG O3')-(12 DT P) 170.0 300.0 &rst iat = 331, 351, 356, 357, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 12 DT EPSLN: (12 DT C4')-(12 DT C3')-(12 DT O3')-(13 DT P) 170.0 300.0 &rst iat = 364, 383, 388, 389, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 13 DT EPSLN: (13 DT C4')-(13 DT C3')-(13 DT O3')-(14 DA P) 170.0 300.0 &rst iat = 396, 415, 420, 421, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 14 DA EPSLN: (14 DA C4')-(14 DA C3')-(14 DA O3')-(15 DG P) 170.0 300.0 &rst iat = 428, 447, 452, 453, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 15 DG EPSLN: (15 DG C4')-(15 DG C3')-(15 DG O3')-(16 DG P) 170.0 300.0 &rst iat = 460, 480, 485, 486, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 16 DG EPSLN: (16 DG C4')-(16 DG C3')-(16 DG O3')-(17 DG P) 170.0 300.0 &rst iat = 493, 513, 518, 519, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 17 DG EPSLN: (17 DG C4')-(17 DG C3')-(17 DG O3')-(18 DT P) 170.0 300.0 &rst iat = 526, 546, 551, 552, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 18 DT EPSLN: (18 DT C4')-(18 DT C3')-(18 DT O3')-(19 DT P) 170.0 300.0 &rst iat = 559, 578, 583, 584, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 19 DT EPSLN: (19 DT C4')-(19 DT C3')-(19 DT O3')-(20 DA P) 170.0 300.0 &rst iat = 591, 610, 615, 616, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 20 DA EPSLN: (20 DA C4')-(20 DA C3')-(20 DA O3')-(21 DGO P) 170.0 300.0 &rst iat = 623, 642, 647, 648, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 21 DG EPSLN: (21 DGO C4')-(21 DGO C3')-(21 DGO O3')-(22 DG P) 170.0 300.0 &rst iat = 655, 676, 681, 682, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 22 DG EPSLN: (22 DG C4')-(22 DG C3')-(22 DG O3')-(23 DG P) 170.0 300.0 &rst iat = 689, 709, 714, 715, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 23 DG EPSLN: (23 DG C4')-(23 DG C3')-(23 DG O3')-(24 DA3 P) 170.0 300.0 &rst iat = 722, 742, 747, 748, r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0, &end # 1 DT ZETA: (1 DT5 C3')-(1 DT5 O3')-(2 DT P)-(2 DT O5') -120.0 120.0 &rst iat = 25, 30, 31, 34, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 2 DT ZETA: (2 DT C3')-(2 DT O3')-(3 DG P)-(3 DG O5') -120.0 120.0 &rst iat = 57, 62, 63, 66, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 3 DG ZETA: (3 DG C3')-(3 DG O3')-(4 DG P)-(4 DG O5') -120.0 120.0 &rst iat = 90, 95, 96, 99, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 4 DG ZETA: (4 DG C3')-(4 DG O3')-(5 DG P)-(5 DG O5') -120.0 120.0 &rst iat = 123, 128, 129, 132, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 5 DG ZETA: (5 DG C3')-(5 DG O3')-(6 DT P)-(6 DT O5') -120.0 120.0 &rst iat = 156, 161, 162, 165, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 6 DT ZETA: (6 DT C3')-(6 DT O3')-(7 DT P)-(7 DT O5') -120.0 120.0 &rst iat = 188, 193, 194, 197, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 7 DT ZETA: (7 DT C3')-(7 DT O3')-(8 DA P)-(8 DA O5') -120.0 120.0 &rst iat = 220, 225, 226, 229, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 8 DA ZETA: (8 DA C3')-(8 DA O3')-(9 DG P)-(9 DG O5') -120.0 120.0 &rst iat = 252, 257, 258, 261, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 9 DG ZETA: (9 DG C3')-(9 DG O3')-(10 DG P)-(10 DG O5') -120.0 120.0 &rst iat = 285, 290, 291, 294, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 10 DG ZETA: (10 DG C3')-(10 DG O3')-(11 DG P)-(11 DG O5') -120.0 120.0 &rst iat = 318, 323, 324, 327, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 11 DG ZETA: (11 DG C3')-(11 DG O3')-(12 DT P)-(12 DT O5') -120.0 120.0 &rst iat = 351, 356, 357, 360, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 12 DT ZETA: (12 DT C3')-(12 DT O3')-(13 DT P)-(13 DT O5') -120.0 120.0 &rst iat = 383, 388, 389, 392, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 13 DT ZETA: (13 DT C3')-(13 DT O3')-(14 DA P)-(14 DA O5') -120.0 120.0 &rst iat = 415, 420, 421, 424, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 14 DA ZETA: (14 DA C3')-(14 DA O3')-(15 DG P)-(15 DG O5') -120.0 120.0 &rst iat = 447, 452, 453, 456, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 15 DG ZETA: (15 DG C3')-(15 DG O3')-(16 DG P)-(16 DG O5') -120.0 120.0 &rst iat = 480, 485, 486, 489, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 16 DG ZETA: (16 DG C3')-(16 DG O3')-(17 DG P)-(17 DG O5') -120.0 120.0 &rst iat = 513, 518, 519, 522, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 17 DG ZETA: (17 DG C3')-(17 DG O3')-(18 DT P)-(18 DT O5') -120.0 120.0 &rst iat = 546, 551, 552, 555, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 18 DT ZETA: (18 DT C3')-(18 DT O3')-(19 DT P)-(19 DT O5') -120.0 120.0 &rst iat = 578, 583, 584, 587, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 19 DT ZETA: (19 DT C3')-(19 DT O3')-(20 DA P)-(20 DA O5') -120.0 120.0 &rst iat = 610, 615, 616, 619, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 20 DA ZETA: (20 DA C3')-(20 DA O3')-(21 DGO P)-(21 DGO O5') -120.0 120.0 &rst iat = 642, 647, 648, 651, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 21 DG ZETA: (21 DGO C3')-(21 DGO O3')-(22 DG P)-(22 DG O5') -120.0 120.0 &rst iat = 676, 681, 682, 685, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 22 DG ZETA: (22 DG C3')-(22 DG O3')-(23 DG P)-(23 DG O5') -120.0 120.0 &rst iat = 709, 714, 715, 718, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 23 DG ZETA: (23 DG C3')-(23 DG O3')-(24 DA3 P)-(24 DA3 O5') -120.0 120.0 &rst iat = 742, 747, 748, 751, r1 = -121.0, r2 = -120.0, r3 = 120.0, r4 = 121.0, &end # 1 DT DELTA: (1 DT5 C5')-(1 DT5 C4')-(1 DT5 C3')-(1 DT5 O3') 120.0 190.0 &rst iat = 3, 6, 25, 30, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 2 DT DELTA: (2 DT C5')-(2 DT C4')-(2 DT C3')-(2 DT O3') 120.0 190.0 &rst iat = 35, 38, 57, 62, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 3 DG DELTA: (3 DG C5')-(3 DG C4')-(3 DG C3')-(3 DG O3') 120.0 190.0 &rst iat = 67, 70, 90, 95, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 4 DG DELTA: (4 DG C5')-(4 DG C4')-(4 DG C3')-(4 DG O3') 120.0 190.0 &rst iat = 100, 103, 123, 128, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 5 DG DELTA: (5 DG C5')-(5 DG C4')-(5 DG C3')-(5 DG O3') 120.0 190.0 &rst iat = 133, 136, 156, 161, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 6 DT DELTA: (6 DT C5')-(6 DT C4')-(6 DT C3')-(6 DT O3') 120.0 190.0 &rst iat = 166, 169, 188, 193, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 7 DT DELTA: (7 DT C5')-(7 DT C4')-(7 DT C3')-(7 DT O3') 120.0 190.0 &rst iat = 198, 201, 220, 225, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 8 DA DELTA: (8 DA C5')-(8 DA C4')-(8 DA C3')-(8 DA O3') 120.0 190.0 &rst iat = 230, 233, 252, 257, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 9 DG DELTA: (9 DG C5')-(9 DG C4')-(9 DG C3')-(9 DG O3') 120.0 190.0 &rst iat = 262, 265, 285, 290, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 10 DG DELTA: (10 DG C5')-(10 DG C4')-(10 DG C3')-(10 DG O3') 120.0 190.0 &rst iat = 295, 298, 318, 323, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 11 DG DELTA: (11 DG C5')-(11 DG C4')-(11 DG C3')-(11 DG O3') 120.0 190.0 &rst iat = 328, 331, 351, 356, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 12 DT DELTA: (12 DT C5')-(12 DT C4')-(12 DT C3')-(12 DT O3') 120.0 190.0 &rst iat = 361, 364, 383, 388, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 13 DT DELTA: (13 DT C5')-(13 DT C4')-(13 DT C3')-(13 DT O3') 120.0 190.0 &rst iat = 393, 396, 415, 420, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 14 DA DELTA: (14 DA C5')-(14 DA C4')-(14 DA C3')-(14 DA O3') 120.0 190.0 &rst iat = 425, 428, 447, 452, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 15 DG DELTA: (15 DG C5')-(15 DG C4')-(15 DG C3')-(15 DG O3') 120.0 190.0 &rst iat = 457, 460, 480, 485, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 16 DG DELTA: (16 DG C5')-(16 DG C4')-(16 DG C3')-(16 DG O3') 120.0 190.0 &rst iat = 490, 493, 513, 518, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 17 DG DELTA: (17 DG C5')-(17 DG C4')-(17 DG C3')-(17 DG O3') 120.0 190.0 &rst iat = 523, 526, 546, 551, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 18 DT DELTA: (18 DT C5')-(18 DT C4')-(18 DT C3')-(18 DT O3') 120.0 190.0 &rst iat = 556, 559, 578, 583, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 19 DT DELTA: (19 DT C5')-(19 DT C4')-(19 DT C3')-(19 DT O3') 120.0 190.0 &rst iat = 588, 591, 610, 615, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 20 DA DELTA: (20 DA C5')-(20 DA C4')-(20 DA C3')-(20 DA O3') 120.0 190.0 &rst iat = 620, 623, 642, 647, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 22 DG DELTA: (22 DG C5')-(22 DG C4')-(22 DG C3')-(22 DG O3') 120.0 190.0 &rst iat = 686, 689, 709, 714, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 23 DG DELTA: (23 DG C5')-(23 DG C4')-(23 DG C3')-(23 DG O3') 120.0 190.0 &rst iat = 719, 722, 742, 747, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end # 24 DA DELTA: (24 DA3 C5')-(24 DA3 C4')-(24 DA3 C3')-(24 DA3 O3') 120.0 190.0 &rst iat = 752, 755, 774, 779, r1 = 119.0, r2 = 120.0, r3 = 190.0, r4 = 191.0, &end ########################################## # Dihedral angles (oxoG21 is not included) ########################################## # 3 DG CHI: (3 DG O4')-(3 DG C1')-(3 DG N9)-(3 DG C4) -90.0 90.0 &rst iat = 72, 73, 75, 89, r1 = -91.0, r2 = -90.0, r3 = 90.0, r4 = 91.0, rk2 = 50.0, rk3 = 50.0, &end # 4 DG CHI: (4 DG O4')-(4 DG C1')-(4 DG N9)-(4 DG C4) -270.0 -90.0 &rst iat = 105, 106, 108, 122, r1 = -271.0, r2 = -270.0, r3 = -90.0, r4 = -89.0, &end # 5 DG CHI: (5 DG O4')-(5 DG C1')-(5 DG N9)-(5 DG C4) -270.0 -90.0 &rst iat = 138, 139, 141, 155, r1 = -271.0, r2 = -270.0, r3 = -90.0, r4 = -89.0, &end # 9 DG CHI: (9 DG O4')-(9 DG C1')-(9 DG N9)-(9 DG C4) -90.0 90.0 &rst iat = 267, 268, 270, 284, r1 = -91.0, r2 = -90.0, r3 = 90.0, r4 = 91.0, &end # 10 DG CHI: (10 DG O4')-(10 DG C1')-(10 DG N9)-(10 DG C4) -270.0 -90.0 &rst iat = 300, 301, 303, 317, r1 = -271.0, r2 = -270.0, r3 = -90.0, r4 = -89.0, &end # 11 DG CHI: (11 DG O4')-(11 DG C1')-(11 DG N9)-(11 DG C4) -270.0 -90.0 &rst iat = 333, 334, 336, 350, r1 = -271.0, r2 = -270.0, r3 = -90.0, r4 = -89.0, &end # 15 DG CHI: (15 DG O4')-(15 DG C1')-(15 DG N9)-(15 DG C4) -90.0 90.0 &rst iat = 462, 463, 465, 479, r1 = -91.0, r2 = -90.0, r3 = 90.0, r4 = 91.0, &end # 16 DG CHI: (16 DG O4')-(16 DG C1')-(16 DG N9)-(16 DG C4) -90.0 90.0 &rst iat = 495, 496, 498, 512, r1 = -91.0, r2 = -90.0, r3 = 90.0, r4 = 91.0, &end # 17 DG CHI: (17 DG O4')-(17 DG C1')-(17 DG N9)-(17 DG C4) -270.0 -90.0 &rst iat = 528, 529, 531, 545, r1 = -271.0, r2 = -270.0, r3 = -90.0, r4 = -89.0, &end # 22 DG CHI: (22 DG O4')-(22 DG C1')-(22 DG N9)-(22 DG C4) -270.0 -90.0 &rst iat = 691, 692, 694, 708, r1 = -271.0, r2 = -270.0, r3 = -90.0, r4 = -89.0, &end # 23 DG CHI: (23 DG O4')-(23 DG C1')-(23 DG N9)-(23 DG C4) -270.0 -90.0 &rst iat = 724, 725, 727, 741, r1 = -271.0, r2 = -270.0, r3 = -90.0, r4 = -89.0, &end
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