Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
655489 | 6r8e RC | 34386 | cing | 1-original | 1 | AMBER | dihedral angle |
# Restraints file 1: SC14_CHI.list
# 1 DG CHI: (1 DG5 O4')-(1 DG5 C1')-(1 DG5 N9)-(1 DG5 C4) 25.0 95.0
&rst iat = 8, 9, 11, 25,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
rk2 = 200.0, rk3 = 200.0, &end
# 2 DT CHI: (2 DT O4')-(2 DT C1')-(2 DT N1)-(2 DT C2) 170.0 310.0
&rst iat = 41, 42, 44, 56,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
# 3 DG CHI: (3 DG O4')-(3 DG C1')-(3 DG N9)-(3 DG C4) 200.0 280.0
&rst iat = 73, 74, 76, 90,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 4 DT CHI: (4 DT O4')-(4 DT C1')-(4 DT N1)-(4 DT C2) 170.0 310.0
&rst iat = 106, 107, 109, 121,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
# 5 DG CHI: (5 DG O4')-(5 DG C1')-(5 DG N9)-(5 DG C4) 200.0 280.0
&rst iat = 138, 139, 141, 155,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 6 DT CHI: (6 DT O4')-(6 DT C1')-(6 DT N1)-(6 DT C2) 170.0 310.0
&rst iat = 171, 172, 174, 186,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
# 7 DG CHI: (7 DG O4')-(7 DG C1')-(7 DG N9)-(7 DG C4) 25.0 95.0
&rst iat = 203, 204, 206, 220,
r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0,
&end
# 8 DG CHI: (8 DG O4')-(8 DG C1')-(8 DG N9)-(8 DG C4) 200.0 280.0
&rst iat = 236, 237, 239, 253,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 9 DG CHI: (9 DG O4')-(9 DG C1')-(9 DG N9)-(9 DG C4) 200.0 280.0
&rst iat = 269, 270, 272, 286,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 10 DT CHI: (10 DT O4')-(10 DT C1')-(10 DT N1)-(10 DT C2) 170.0 310.0
&rst iat = 302, 303, 305, 317,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
# 11 DG CHI: (11 DG O4')-(11 DG C1')-(11 DG N9)-(11 DG C4) 200.0 280.0
&rst iat = 334, 335, 337, 351,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 12 DT CHI: (12 DT O4')-(12 DT C1')-(12 DT N1)-(12 DT C2) 170.0 310.0
&rst iat = 367, 368, 370, 382,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
# 13 DG CHI: (13 DG O4')-(13 DG C1')-(13 DG N9)-(13 DG C4) 200.0 280.0
&rst iat = 399, 400, 402, 416,
r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
&end
# 14 DT CHI: (14 DT3 O4')-(14 DT3 C1')-(14 DT3 N1)-(14 DT3 C2) 170.0 310.0
&rst iat = 432, 433, 435, 447,
r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
&end
## Restraints file 2: SC14_NU2.list
# 1 DG NU2: (1 DG5 C1')-(1 DG5 C2')-(1 DG5 C3')-(1 DG5 C4') -40.0 -30.0
&rst iat = 9, 28, 26, 6,
r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
rk2 = 200.0, rk3 = 200.0, &end
# 2 DT NU2: (2 DT C1')-(2 DT C2')-(2 DT C3')-(2 DT C4') -40.0 -30.0
&rst iat = 42, 60, 58, 39,
r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
&end
# 3 DG NU2: (3 DG C1')-(3 DG C2')-(3 DG C3')-(3 DG C4') -40.0 -30.0
&rst iat = 74, 93, 91, 71,
r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
&end
# 4 DT NU2: (4 DT C1')-(4 DT C2')-(4 DT C3')-(4 DT C4') -40.0 -30.0
&rst iat = 107, 125, 123, 104,
r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
&end
# 5 DG NU2: (5 DG C1')-(5 DG C2')-(5 DG C3')-(5 DG C4') -40.0 -30.0
&rst iat = 139, 158, 156, 136,
r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
&end
# 6 DT NU2: (6 DT C1')-(6 DT C2')-(6 DT C3')-(6 DT C4') -40.0 -30.0
&rst iat = 172, 190, 188, 169,
r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
&end
# 7 DG NU2: (7 DG C1')-(7 DG C2')-(7 DG C3')-(7 DG C4') -320.0 20.0
&rst iat = 204, 223, 221, 201,
r1 = -321.0, r2 = -320.0, r3 = 20.0, r4 = 21.0,
&end
# 9 DG NU2: (9 DG C1')-(9 DG C2')-(9 DG C3')-(9 DG C4') -40.0 -30.0
&rst iat = 270, 289, 287, 267,
r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
&end
# 10 DT NU2: (10 DT C1')-(10 DT C2')-(10 DT C3')-(10 DT C4') -40.0 -30.0
&rst iat = 303, 321, 319, 300,
r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
&end
# 11 DG NU2: (11 DG C1')-(11 DG C2')-(11 DG C3')-(11 DG C4') -40.0 -30.0
&rst iat = 335, 354, 352, 332,
r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
&end
# 12 DT NU2: (12 DT C1')-(12 DT C2')-(12 DT C3')-(12 DT C4') -320.0 20.0
&rst iat = 368, 386, 384, 365,
r1 = -321.0, r2 = -320.0, r3 = 20.0, r4 = 21.0,
&end
#