NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
491365 | 2hss | cing | 1-original | 5 | AMBER | dihedral angle |
# 810 atoms read from pdb file gxac_ab_beta_amber.pdb. # 2 CYT BETA: (2 DC P)-(2 DC O5')-(2 DC C5')-(2 DC C4') -175.0 -115.0 &rst iat = 29, 32, 33, 36, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, rk2 = 200.0, rk3 = 200.0, / # 2 CYT EPSLN: (2 DC C4')-(2 DC C3')-(2 DC O3')-(3 DA P) 125.0 180.0 &rst iat = 36, 53, 58, 59, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 2 CYT GAMMA: (2 DC O5')-(2 DC C5')-(2 DC C4')-(2 DC C3') 25.0 55.0 &rst iat = 32, 33, 36, 53, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 3 ADE BETA: (3 DA P)-(3 DA O5')-(3 DA C5')-(3 DA C4') -175.0 -115.0 &rst iat = 59, 62, 63, 66, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 3 ADE EPSLN: (3 DA C4')-(3 DA C3')-(3 DA O3')-(4 DA P) 125.0 180.0 &rst iat = 66, 85, 90, 91, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 3 ADE GAMMA: (3 DA O5')-(3 DA C5')-(3 DA C4')-(3 DA C3') 25.0 55.0 &rst iat = 62, 63, 66, 85, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 4 ADE BETA: (4 DA P)-(4 DA O5')-(4 DA C5')-(4 DA C4') -175.0 -115.0 &rst iat = 91, 94, 95, 98, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 4 ADE EPSLN: (4 DA C4')-(4 DA C3')-(4 DA O3')-(5 DA P) 125.0 180.0 &rst iat = 98, 117, 122, 123, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 4 ADE GAMMA: (4 DA O5')-(4 DA C5')-(4 DA C4')-(4 DA C3') 25.0 65.0 &rst iat = 94, 95, 98, 117, r1 = 24.0, r2 = 25.0, r3 = 65.0, r4 = 66.0, / # 5 ADE BETA: (5 DA P)-(5 DA O5')-(5 DA C5')-(5 DA C4') -175.0 -115.0 &rst iat = 123, 126, 127, 130, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 5 ADE EPSLN: (5 DA C4')-(5 DA C3')-(5 DA O3')-(6 DG P) 125.0 180.0 &rst iat = 130, 149, 154, 155, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 5 ADE GAMMA: (5 DA O5')-(5 DA C5')-(5 DA C4')-(5 DA C3') 25.0 55.0 &rst iat = 126, 127, 130, 149, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 6 GUA BETA: (6 DG P)-(6 DG O5')-(6 DG C5')-(6 DG C4') -175.0 -115.0 &rst iat = 155, 158, 159, 162, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 6 GUA EPSLN: (6 DG C4')-(6 DG C3')-(6 DG O3')-(7 ABB P) 140.0 300.0 &rst iat = 162, 182, 187, 188, r1 = 139.0, r2 = 140.0, r3 = 300.0, r4 = 301.0, / # 6 GUA GAMMA: (6 DG O5')-(6 DG C5')-(6 DG C4')-(6 DG C3') 25.0 55.0 &rst iat = 158, 159, 162, 182, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 8 ADE GAMMA: (8 DA O5')-(8 DA C5')-(8 DA C4')-(8 DA C3') 25.0 55.0 &rst iat = 211, 212, 215, 234, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 8 ADE BETA: (8 DA P)-(8 DA O5')-(8 DA C5')-(8 DA C4') -175.0 -115.0 &rst iat = 208, 211, 212, 215, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 8 ADE EPSLN: (8 DA C4')-(8 DA C3')-(8 DA O3')-(9 DC P) 125.0 180.0 &rst iat = 215, 234, 239, 240, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 9 CYT BETA: (9 DC P)-(9 DC O5')-(9 DC C5')-(9 DC C4') -175.0 -115.0 &rst iat = 240, 243, 244, 247, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 9 CYT EPSLN: (9 DC C4')-(9 DC C3')-(9 DC O3')-(10 DC P) 125.0 180.0 &rst iat = 247, 264, 269, 270, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 9 CYT GAMMA: (9 DC O5')-(9 DC C5')-(9 DC C4')-(9 DC C3') 25.0 55.0 &rst iat = 243, 244, 247, 264, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 10 CYT BETA: (10 DC P)-(10 DC O5')-(10 DC C5')-(10 DC C4') -175.0 -115.0 &rst iat = 270, 273, 274, 277, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 10 CYT EPSLN: (10 DC C4')-(10 DC C3')-(10 DC O3')-(11 DG P) 125.0 180.0 &rst iat = 277, 294, 299, 300, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 10 CYT GAMMA: (10 DC O5')-(10 DC C5')-(10 DC C4')-(10 DC C3') 25.0 55.0 &rst iat = 273, 274, 277, 294, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 11 GUA BETA: (11 DG P)-(11 DG O5')-(11 DG C5')-(11 DG C4') -175.0 -115.0 &rst iat = 300, 303, 304, 307, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 11 GUA EPSLN: (11 DG C4')-(11 DG C3')-(11 DG O3')-(12 DG P) 125.0 180.0 &rst iat = 307, 327, 332, 333, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 11 GUA GAMMA: (11 DG O5')-(11 DG C5')-(11 DG C4')-(11 DG C3') 25.0 55.0 &rst iat = 303, 304, 307, 327, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 12 GUA BETA: (12 DG P)-(12 DG O5')-(12 DG C5')-(12 DG C4') -175.0 -115.0 &rst iat = 333, 336, 337, 340, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 12 GUA EPSLN: (12 DG C4')-(12 DG C3')-(12 DG O3')-(13 DG3 P) 125.0 180.0 &rst iat = 340, 360, 365, 366, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 12 GUA GAMMA: (12 DG O5')-(12 DG C5')-(12 DG C4')-(12 DG C3') 25.0 55.0 &rst iat = 336, 337, 340, 360, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 13 GUA BETA: (13 DG3 P)-(13 DG3 O5')-(13 DG3 C5')-(13 DG3 C4') -175.0 -115.0 &rst iat = 366, 369, 370, 373, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 14 CYT EPSLN: (14 DC5 C4')-(14 DC5 C3')-(14 DC5 O3')-(15 DC P) 125.0 180.0 &rst iat = 405, 422, 427, 428, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 14 CYT GAMMA: (14 DC5 O5')-(14 DC5 C5')-(14 DC5 C4')-(14 DC5 C3') 25.0 55.0 &rst iat = 401, 402, 405, 422, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 15 CYT BETA: (15 DC P)-(15 DC O5')-(15 DC C5')-(15 DC C4') -175.0 -115.0 &rst iat = 428, 431, 432, 435, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 15 CYT EPSLN: (15 DC C4')-(15 DC C3')-(15 DC O3')-(16 DC P) 125.0 180.0 &rst iat = 435, 452, 457, 458, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 15 CYT GAMMA: (15 DC O5')-(15 DC C5')-(15 DC C4')-(15 DC C3') 25.0 55.0 &rst iat = 431, 432, 435, 452, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 16 CYT BETA: (16 DC P)-(16 DC O5')-(16 DC C5')-(16 DC C4') -175.0 -115.0 &rst iat = 458, 461, 462, 465, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 16 CYT EPSLN: (16 DC C4')-(16 DC C3')-(16 DC O3')-(17 DG P) 125.0 180.0 &rst iat = 465, 482, 487, 488, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 16 CYT GAMMA: (16 DC O5')-(16 DC C5')-(16 DC C4')-(16 DC C3') 25.0 55.0 &rst iat = 461, 462, 465, 482, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 17 GUA BETA: (17 DG P)-(17 DG O5')-(17 DG C5')-(17 DG C4') -175.0 -115.0 &rst iat = 488, 491, 492, 495, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 17 GUA EPSLN: (17 DG C4')-(17 DG C3')-(17 DG O3')-(18 DG P) 125.0 180.0 &rst iat = 495, 515, 520, 521, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 17 GUA GAMMA: (17 DG O5')-(17 DG C5')-(17 DG C4')-(17 DG C3') 25.0 55.0 &rst iat = 491, 492, 495, 515, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 18 GUA BETA: (18 DG P)-(18 DG O5')-(18 DG C5')-(18 DG C4') -175.0 -115.0 &rst iat = 521, 524, 525, 528, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 18 GUA EPSLN: (18 DG C4')-(18 DG C3')-(18 DG O3')-(19 DT P) 125.0 180.0 &rst iat = 528, 548, 553, 554, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 18 GUA GAMMA: (18 DG O5')-(18 DG C5')-(18 DG C4')-(18 DG C3') 25.0 55.0 &rst iat = 524, 525, 528, 548, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 19 THY BETA: (19 DT P)-(19 DT O5')-(19 DT C5')-(19 DT C4') -175.0 -115.0 &rst iat = 554, 557, 558, 561, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 19 THY EPSLN: (19 DT C4')-(19 DT C3')-(19 DT O3')-(20 DA P) 125.0 180.0 &rst iat = 561, 580, 585, 586, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 19 THY GAMMA: (19 DT O5')-(19 DT C5')-(19 DT C4')-(19 DT C3') 25.0 55.0 &rst iat = 557, 558, 561, 580, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 20 ADE BETA: (20 DA P)-(20 DA O5')-(20 DA C5')-(20 DA C4') -175.0 -115.0 &rst iat = 586, 589, 590, 593, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 20 ADE EPSLN: (20 DA C4')-(20 DA C3')-(20 DA O3')-(21 DC P) 125.0 180.0 &rst iat = 593, 612, 617, 618, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 20 ADE GAMMA: (20 DA O5')-(20 DA C5')-(20 DA C4')-(20 DA C3') 25.0 55.0 &rst iat = 589, 590, 593, 612, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 21 CYT BETA: (21 DC P)-(21 DC O5')-(21 DC C5')-(21 DC C4') -175.0 -115.0 &rst iat = 618, 621, 622, 625, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 21 CYT EPSLN: (21 DC C4')-(21 DC C3')-(21 DC O3')-(22 DT P) 125.0 180.0 &rst iat = 625, 642, 647, 648, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 21 CYT GAMMA: (21 DC O5')-(21 DC C5')-(21 DC C4')-(21 DC C3') 25.0 55.0 &rst iat = 621, 622, 625, 642, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 22 THY BETA: (22 DT P)-(22 DT O5')-(22 DT C5')-(22 DT C4') -175.0 -115.0 &rst iat = 648, 651, 652, 655, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 22 THY EPSLN: (22 DT C4')-(22 DT C3')-(22 DT O3')-(23 DT P) 125.0 180.0 &rst iat = 655, 674, 679, 680, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 22 THY GAMMA: (22 DT O5')-(22 DT C5')-(22 DT C4')-(22 DT C3') 25.0 55.0 &rst iat = 651, 652, 655, 674, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 23 THY BETA: (23 DT P)-(23 DT O5')-(23 DT C5')-(23 DT C4') -175.0 -115.0 &rst iat = 680, 683, 684, 687, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 23 THY EPSLN: (23 DT C4')-(23 DT C3')-(23 DT O3')-(24 DT P) 125.0 180.0 &rst iat = 687, 706, 711, 712, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 23 THY GAMMA: (23 DT O5')-(23 DT C5')-(23 DT C4')-(23 DT C3') 25.0 55.0 &rst iat = 683, 684, 687, 706, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 24 THY BETA: (24 DT P)-(24 DT O5')-(24 DT C5')-(24 DT C4') -175.0 -115.0 &rst iat = 712, 715, 716, 719, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 24 THY EPSLN: (24 DT C4')-(24 DT C3')-(24 DT O3')-(25 DG P) 125.0 180.0 &rst iat = 719, 738, 743, 744, r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0, / # 24 THY GAMMA: (24 DT O5')-(24 DT C5')-(24 DT C4')-(24 DT C3') 25.0 55.0 &rst iat = 715, 716, 719, 738, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 25 GUA BETA: (25 DG P)-(25 DG O5')-(25 DG C5')-(25 DG C4') -175.0 -115.0 &rst iat = 744, 747, 748, 751, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, / # 25 GUA GAMMA: (25 DG O5')-(25 DG C5')-(25 DG C4')-(25 DG C3') 25.0 55.0 &rst iat = 747, 748, 751, 771, r1 = 24.0, r2 = 25.0, r3 = 55.0, r4 = 56.0, / # 26 GUA BETA: (26 DG3 P)-(26 DG3 O5')-(26 DG3 C5')-(26 DG3 C4') -175.0 -115.0 &rst iat = 777, 780, 781, 784, r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0, /
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