NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
655551 | 7d0y | cing | 1-original | 5 | AMBER | dihedral angle |
# Sugar H1'-C1'-C2'-H2' dihedral angle &rst iat = 10, 9, 25, 26, r1 = 144.0, r2 = 145.0, r3 = 175.0, r4 = 176.0, rk2 = 1000.0, rk3 = 1000.0, &end &rst iat = 41, 40, 55, 56, r1 = 142.0, r2 = 143.0, r3 = 173.0, r4 = 174.0, &end &rst iat = 75, 74, 92, 93, r1 = 145.0, r2 = 146.0, r3 = 176.0, r4 = 177.0, &end &rst iat = 140, 139, 155, 156, r1 = 146.0, r2 = 147.0, r3 = 177.0, r4 = 178.0, &end &rst iat = 170, 169, 184, 185, r1 = 144.0, r2 = 145.0, r3 = 175.0, r4 = 176.0, &end &rst iat = 203, 202, 220, 221, r1 = 141.0, r2 = 142.0, r3 = 172.0, r4 = 173.0, &end # Restraints file 2: rst_aux # 262 atoms read from pdb file min.pdb. # Backbone # 1 DC CHI: (1 CP5 O4')-(1 CP5 C1')-(1 CP5 N1)-(1 CP5 C2) 90.0 270.0 &rst iat = 8, 9, 11, 21, r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0, rk2 = 1000.0, rk3 = 1000.0, / # 2 DC CHI: (2 MCP O4')-(2 MCP C1')-(2 MCP N1)-(2 MCP C2) 90.0 270.0 &rst iat = 39, 40, 42, 51, r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0, / # 3 DT CHI: (3 DT O4')-(3 DT C1')-(3 DT N1)-(3 DT C2) 90.0 270.0 &rst iat = 73, 74, 76, 88, r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0, / # 4 DG CHI: (4 DG O4')-(4 DG C1')-(4 DG N9)-(4 DG C4) -90.0 90.0 &rst iat = 105, 106, 108, 122, r1 = -91.0, r2 = -90.0, r3 = 90.0, r4 = 91.0, / # 5 DC CHI: (5 DC O4')-(5 DC C1')-(5 DC N1)-(5 DC C2) 90.0 270.0 &rst iat = 138, 139, 141, 151, r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0, / # 6 DC CHI: (6 DMC O4')-(6 DMC C1')-(6 DMC N1)-(6 DMC C2) 90.0 270.0 &rst iat = 168, 169, 171, 180, r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0, / # 7 DT CHI: (7 DT O4')-(7 DT C1')-(7 DT N1)-(7 DT C2) 90.0 270.0 &rst iat = 201, 202, 204, 216, r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0, / # 8 DG CHI: (8 DG3 O4')-(8 DG3 C1')-(8 DG3 N9)-(8 DG3 C4) 90.0 330.0 &rst iat = 233, 234, 236, 250, r1 = 89.0, r2 = 90.0, r3 = 330.0, r4 = 331.0, / # 1 DC GAMMA: (1 CP5 O5')-(1 CP5 C5')-(1 CP5 C4')-(1 CP5 C3') 30.0 90.0 &rst iat = 2, 3, 6, 23, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, / # 2 DC GAMMA: (2 MCP O5')-(2 MCP C5')-(2 MCP C4')-(2 MCP C3') 30.0 90.0 &rst iat = 33, 34, 37, 53, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, / # 3 DT GAMMA: (3 DT O5')-(3 DT C5')-(3 DT C4')-(3 DT C3') 30.0 90.0 &rst iat = 67, 68, 71, 90, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, / # 4 DG GAMMA: (4 DG O5')-(4 DG C5')-(4 DG C4')-(4 DG C3') 150.0 210.0 &rst iat = 99, 100, 103, 123, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, / # 6 DC GAMMA: (6 DMC O5')-(6 DMC C5')-(6 DMC C4')-(6 DMC C3') 30.0 90.0 &rst iat = 162, 163, 166, 182, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, / # 7 DT GAMMA: (7 DT O5')-(7 DT C5')-(7 DT C4')-(7 DT C3') 30.0 90.0 &rst iat = 195, 196, 199, 218, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, / # 8 DG GAMMA: (8 DG3 O5')-(8 DG3 C5')-(8 DG3 C4')-(8 DG3 C3') 150.0 210.0 &rst iat = 227, 228, 231, 251, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, /
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