NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
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491312 |
2hpx   |
cing | 1-original | 4 | AMBER | dihedral angle |
# 811 atoms read from pdb file GXAC_ox_ab_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 X4A 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 = 212, 213, 216, 235,
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 = 209, 212, 213, 216,
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 = 216, 235, 240, 241,
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 = 241, 244, 245, 248,
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 = 248, 265, 270, 271,
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 = 244, 245, 248, 265,
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 = 271, 274, 275, 278,
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 = 278, 295, 300, 301,
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 = 274, 275, 278, 295,
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 = 301, 304, 305, 308,
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 = 308, 328, 333, 334,
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 = 304, 305, 308, 328,
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 = 334, 337, 338, 341,
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 = 341, 361, 366, 367,
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 = 337, 338, 341, 361,
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 = 367, 370, 371, 374,
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 = 406, 423, 428, 429,
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 = 402, 403, 406, 423,
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 = 429, 432, 433, 436,
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 = 436, 453, 458, 459,
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 = 432, 433, 436, 453,
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 = 459, 462, 463, 466,
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 = 466, 483, 488, 489,
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 = 462, 463, 466, 483,
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 = 489, 492, 493, 496,
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 = 496, 516, 521, 522,
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 = 492, 493, 496, 516,
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 = 522, 525, 526, 529,
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 = 529, 549, 554, 555,
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 = 525, 526, 529, 549,
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 = 555, 558, 559, 562,
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 = 562, 581, 586, 587,
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 = 558, 559, 562, 581,
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 = 587, 590, 591, 594,
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 = 594, 613, 618, 619,
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 = 590, 591, 594, 613,
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 = 619, 622, 623, 626,
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 = 626, 643, 648, 649,
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 = 622, 623, 626, 643,
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 = 649, 652, 653, 656,
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 = 656, 675, 680, 681,
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 = 652, 653, 656, 675,
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 = 681, 684, 685, 688,
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 = 688, 707, 712, 713,
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 = 684, 685, 688, 707,
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 = 713, 716, 717, 720,
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 = 720, 739, 744, 745,
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 = 716, 717, 720, 739,
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 = 745, 748, 749, 752,
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 = 748, 749, 752, 772,
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 = 778, 781, 782, 785,
r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
/
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