NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
635055 | 6ia0 | 34331 | cing | 1-original | 2 | AMBER | distance | hydrogen bond | simple |
############################################################################## # Hydrogen bond restrains: # Hoogsteen restrains (Hydrogen bonds between G4 and oxoG10 are not included), # Watson Crick restrains (between T2 and A14, T7 and A24) ############################################################################## # # 5 DG H1 9 DG O6 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 149, 276, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, rk2=100.0, rk3=100.0, ir6=1, ialtd=0, &end # # 5 DG H21 9 DG N7 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 153, 273, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 9 DG H1 17 DG O6 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 278, 538, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 9 DG H21 17 DG N7 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 282, 535, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 17 DG H1 23 DG O6 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 540, 733, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 17 DG H21 23 DG N7 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 544, 730, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 23 DG H1 5 DG O6 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 735, 147, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 23 DG H21 5 DG N7 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 739, 144, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 10 DG H1 16 DG O6 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 312, 505, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 10 DG H21 16 DG N7 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 316, 502, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 16 DG H1 22 DG O6 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 507, 700, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 16 DG H21 22 DG N7 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 511, 697, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 22 DG H1 4 DG O6 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 702, 114, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 22 DG H21 4 DG N7 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 706, 111, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 3 DG H1 11 DG O6 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 83, 343, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 3 DG H21 11 DG N7 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 87, 340, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 11 DG H1 15 DG O6 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 345, 472, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 11 DG H21 15 DG N7 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 349, 469, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 15 DG H1 21 DG O6 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 474, 667, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 15 DG H21 21 DG N7 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 478, 664, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 21 DG H1 3 DG O6 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 669, 81, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 21 DG H21 3 DG N7 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 673, 78, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 14 DA N1 2 DT H3 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 443, 54, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end # # 24 DA N7 7 DT H3 1.6 2.1 &rst ixpk= 0, nxpk= 0, iat= 763, 217, r1= 1.10, r2= 1.60, r3= 2.10, r4= 2.60, &end
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