NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
648717 | 6iy5 | cing | 1-original | 2 | AMBER | dihedral angle |
# Restraints file 2: rst_backbone.txt # 324 atoms read from pdb file min.pdb. # 1 DA CHI: (1 DA5 O4')-(1 DA5 C1')-(1 DA5 N9)-(1 DA5 C4) 90.0 270.0 &rst iat = 8, 9, 11, 24, r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0, rk2 = 2.0, rk3 = 2.0, / # 2 DT CHI: (2 DT O4')-(2 DT C1')-(2 DT N1)-(2 DT C2) 90.0 270.0 &rst iat = 40, 41, 43, 55, 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 = 72, 73, 75, 87, r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0, / # 4 DC CHI: (4 DC O4')-(4 DC C1')-(4 DC N1)-(4 DC C2) 90.0 270.0 &rst iat = 104, 105, 107, 117, r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0, / # 5 DT CHI: (5 DT O4')-(5 DT C1')-(5 DT N1)-(5 DT C2) 90.0 270.0 &rst iat = 134, 135, 137, 149, r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0, / # 6 DA CHI: (6 DA O4')-(6 DA C1')-(6 DA N9)-(6 DA C4) 90.0 270.0 &rst iat = 166, 167, 169, 182, 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 = 198, 199, 201, 213, r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0, / # 8 DT CHI: (8 DT O4')-(8 DT C1')-(8 DT N1)-(8 DT C2) 90.0 270.0 &rst iat = 230, 231, 233, 245, r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0, / # 9 DC CHI: (9 DC O4')-(9 DC C1')-(9 DC N1)-(9 DC C2) 90.0 270.0 &rst iat = 262, 263, 265, 275, r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0, / # 10 DT CHI: (10 DT3 O4')-(10 DT3 C1')-(10 DT3 N1)-(10 DT3 C2) 90.0 270.0 &rst iat = 292, 293, 295, 307, r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0, / # 1 DA GAMMA: (1 DA5 O5')-(1 DA5 C5')-(1 DA5 C4')-(1 DA5 C3') 30.0 90.0 &rst iat = 2, 3, 6, 25, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, / # 2 DT GAMMA: (2 DT O5')-(2 DT C5')-(2 DT C4')-(2 DT C3') 30.0 90.0 &rst iat = 34, 35, 38, 57, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, / # 8 DT GAMMA: (8 DT O5')-(8 DT C5')-(8 DT C4')-(8 DT C3') 30.0 90.0 &rst iat = 224, 225, 228, 247, r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0, / # manually added 3 sugar torsion angle rst # 3 DT H1'-C1'-C2'-H2' 138.0 168.0 &rst iat = 74, 73, 91, 92, r1 = 137.0, r2 = 138.0, r3 = 168.0, r4 = 169.0, / # 6 DA H1'-C1'-C2'-H2' 135.0 165.0 &rst iat = 168, 167, 185, 186, r1 = 134.0, r2 = 135.0, r3 = 165.0, r4 = 166.0, # 8 DT H1'-C1'-C2'-H2' 139.0 169.0 &rst iat = 232, 231, 249, 250, r1 = 138.0, r2 = 139.0, r3 = 169.0, r4 = 170.0,
Contact the webmaster for help, if required. Sunday, June 16, 2024 1:59:00 PM GMT (wattos1)