NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
644239 | 6sx3 | 34435 | cing | 1-original | 1 | AMBER | distance | hydrogen bond | simple |
# Restraints file 1: Hbonds.txt #H-bonds# # # 14 DC H41 21 DG O6 1.7 1.9 &rst ixpk= 0, nxpk= 0, iat= 441, 666, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, rk2=40.0, rk3=40.0, ir6=1, ialtd=0, &end # # 14 DC N3 21 DG H1 1.8 2.0 &rst ixpk= 0, nxpk= 0, iat= 443, 668, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 14 DC O2 21 DG H21 1.8 2.0 &rst ixpk= 0, nxpk= 0, iat= 445, 671, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 22 DC H41 13 DG O6 1.7 1.9 &rst ixpk= 0, nxpk= 0, iat= 700, 407, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 22 DC N3 13 DG H1 1.8 2.0 &rst ixpk= 0, nxpk= 0, iat= 702, 409, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 22 DC O2 13 DG H21 1.8 2.0 &rst ixpk= 0, nxpk= 0, iat= 704, 412, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 30 DC H41 5 DG O6 1.7 1.9 &rst ixpk= 0, nxpk= 0, iat= 959, 148, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 30 DC N3 5 DG H1 1.8 2.0 &rst ixpk= 0, nxpk= 0, iat= 961, 150, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 30 DC O2 5 DG H21 1.8 2.0 &rst ixpk= 0, nxpk= 0, iat= 963, 153, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 6 DC H41 29 DG O6 1.7 1.9 &rst ixpk= 0, nxpk= 0, iat= 182, 925, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 6 DC N3 29 DG H1 1.8 2.0 &rst ixpk= 0, nxpk= 0, iat= 184, 927, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 6 DC O2 29 DG H21 1.8 2.0 &rst ixpk= 0, nxpk= 0, iat= 186, 930, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 23 DG H1 12 DA N7 1.8 2.5 &rst ixpk= 0, nxpk= 0, iat= 731, 372, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 23 DG O6 12 DA H61 1.8 2.5 &rst ixpk= 0, nxpk= 0, iat= 729, 376, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 7 DG H1 28 DA N7 1.8 2.5 &rst ixpk= 0, nxpk= 0, iat= 213, 890, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 7 DG O6 28 DA H61 1.8 2.5 &rst ixpk= 0, nxpk= 0, iat= 211, 894, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 25 DG H1 11 DG O6 1.5 2.5 &rst ixpk= 0, nxpk= 0, iat= 796, 342, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 25 DG O6 11 DG H1 1.5 2.5 &rst ixpk= 0, nxpk= 0, iat= 794, 344, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 26 DG H1 10 DG O6 1.5 2.5 &rst ixpk= 0, nxpk= 0, iat= 829, 309, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 26 DG O6 10 DG H1 1.5 2.5 &rst ixpk= 0, nxpk= 0, iat= 827, 311, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 27 DG H1 9 DG O6 1.5 2.5 &rst ixpk= 0, nxpk= 0, iat= 862, 276, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 27 DG O6 9 DG H1 1.5 2.5 &rst ixpk= 0, nxpk= 0, iat= 860, 278, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 22 DC H42 29 DG O6 2.5 5.0 &rst ixpk= 0, nxpk= 0, iat= 701, 925, r1= 1.00, r2= 2.50, r3= 5.00, r4= 5.50, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, &end # # 6 DC H42 13 DG O6 2.5 5.0 &rst ixpk= 0, nxpk= 0, iat= 183, 407, r1= 1.00, r2= 2.50, r3= 5.00, r4= 5.50, &end # # 30 DC H42 21 DG O6 2.5 5.0 &rst ixpk= 0, nxpk= 0, iat= 960, 666, r1= 1.00, r2= 2.50, r3= 5.00, r4= 5.50, &end # # 14 DC H42 5 DG O6 2.5 5.0 &rst ixpk= 0, nxpk= 0, iat= 442, 148, r1= 1.00, r2= 2.50, r3= 5.00, r4= 5.50, &end # # # 31 DG H1 4 DA N7 2.5 2.5 &rst ixpk= 0, nxpk= 0, iat= 990, 113, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, rk2=30.0, rk3=30.0, ir6=1, ialtd=0, &end # 31 DG O6 4 DA H61 1.8 2.5 &rst ixpk= 0, nxpk= 0, iat= 988, 117, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 15 DG H1 20 DA N7 1.8 2.5 &rst ixpk= 0, nxpk= 0, iat= 472, 631, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 15 DG O6 20 DA H61 1.8 2.5 &rst ixpk= 0, nxpk= 0, iat= 470, 635, r1= 1.00, r2= 1.50, r3= 2.60, r4= 4.10, &end # # # 2 DG H1 18 DG O6 2.0 5.0 &rst ixpk= 0, nxpk= 0, iat= 52, 568, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, rk2=40.0, rk3=40.0, ir6=1, ialtd=0, &end # # 2 DG O6 18 DG H1 2.0 5.0 &rst ixpk= 0, nxpk= 0, iat= 50, 570, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 1 DG H1 19 DG O6 2.0 5.0 &rst ixpk= 0, nxpk= 0, iat= 19, 601, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 1 DG O6 19 DG H1 2.5 2.5 &rst ixpk= 0, nxpk= 0, iat= 17, 603, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 3 DG H1 17 DG O6 2.5 2.5 &rst ixpk= 0, nxpk= 0, iat= 85, 535, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end # # 3 DG O6 17 DG H1 2.5 2.5 &rst ixpk= 0, nxpk= 0, iat= 83, 537, r1= 1.00, r2= 1.50, r3= 2.60, r4= 3.10, &end ## Restraints file 2: amber.crd.rst
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