NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
544498 |
2luj   |
18524 | cing | 1-original | 1 | XPLOR/CNS | dihedral angle |
REMARKS restraints dihedral
Scale = 1.0
assign (resi 1 and name O3' )
(resi 2 and name P )
(resi 2 and name O5' )
(resi 2 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 2 and name O3' )
(resi 3 and name P )
(resi 3 and name O5' )
(resi 3 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 3 and name O3' )
(resi 4 and name P )
(resi 4 and name O5' )
(resi 4 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 4 and name O3' )
(resi 5 and name P )
(resi 5 and name O5' )
(resi 5 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 5 and name O3' )
(resi 6 and name P )
(resi 6 and name O5' )
(resi 6 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 7 and name O3' )
(resi 8 and name P )
(resi 8 and name O5' )
(resi 8 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 8 and name O3' )
(resi 9 and name P )
(resi 9 and name O5' )
(resi 9 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 9 and name O3' )
(resi 10 and name P )
(resi 10 and name O5' )
(resi 10 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 10 and name O3' )
(resi 11 and name P )
(resi 11 and name O5' )
(resi 11 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 11 and name O3' )
(resi 12 and name P )
(resi 12 and name O5' )
(resi 12 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 13 and name O3' )
(resi 14 and name P )
(resi 14 and name O5' )
(resi 14 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 14 and name O3' )
(resi 15 and name P )
(resi 15 and name O5' )
(resi 15 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 15 and name O3' )
(resi 16 and name P )
(resi 16 and name O5' )
(resi 16 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 16 and name O3' )
(resi 17 and name P )
(resi 17 and name O5' )
(resi 17 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 17 and name O3' )
(resi 18 and name P )
(resi 18 and name O5' )
(resi 18 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 19 and name O3' )
(resi 20 and name P )
(resi 20 and name O5' )
(resi 20 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 20 and name O3' )
(resi 21 and name P )
(resi 21 and name O5' )
(resi 21 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 21 and name O3' )
(resi 22 and name P )
(resi 22 and name O5' )
(resi 22 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 22 and name O3' )
(resi 23 and name P )
(resi 23 and name O5' )
(resi 23 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 23 and name O3' )
(resi 24 and name P )
(resi 24 and name O5' )
(resi 24 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 25 and name O3' )
(resi 26 and name P )
(resi 26 and name O5' )
(resi 26 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 26 and name O3' )
(resi 27 and name P )
(resi 27 and name O5' )
(resi 27 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 27 and name O3' )
(resi 28 and name P )
(resi 28 and name O5' )
(resi 28 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 28 and name O3' )
(resi 29 and name P )
(resi 29 and name O5' )
(resi 29 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 29 and name O3' )
(resi 30 and name P )
(resi 30 and name O5' )
(resi 30 and name C5' ) 3.0 -73.9 20.0 2 {*alpha*}
assign (resi 2 and name P )
(resi 2 and name O5' )
(resi 2 and name C5' )
(resi 2 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 3 and name P )
(resi 3 and name O5' )
(resi 3 and name C5' )
(resi 3 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 4 and name P )
(resi 4 and name O5' )
(resi 4 and name C5' )
(resi 4 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 5 and name P )
(resi 5 and name O5' )
(resi 5 and name C5' )
(resi 5 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 8 and name P )
(resi 8 and name O5' )
(resi 8 and name C5' )
(resi 8 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 9 and name P )
(resi 9 and name O5' )
(resi 9 and name C5' )
(resi 9 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 10 and name P )
(resi 10 and name O5' )
(resi 10 and name C5' )
(resi 10 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 11 and name P )
(resi 11 and name O5' )
(resi 11 and name C5' )
(resi 11 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 14 and name P )
(resi 14 and name O5' )
(resi 14 and name C5' )
(resi 14 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 15 and name P )
(resi 15 and name O5' )
(resi 15 and name C5' )
(resi 15 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 16 and name P )
(resi 16 and name O5' )
(resi 16 and name C5' )
(resi 16 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 17 and name P )
(resi 17 and name O5' )
(resi 17 and name C5' )
(resi 17 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 20 and name P )
(resi 20 and name O5' )
(resi 20 and name C5' )
(resi 20 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 21 and name P )
(resi 21 and name O5' )
(resi 21 and name C5' )
(resi 21 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 22 and name P )
(resi 22 and name O5' )
(resi 22 and name C5' )
(resi 22 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 23 and name P )
(resi 23 and name O5' )
(resi 23 and name C5' )
(resi 23 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 26 and name P )
(resi 26 and name O5' )
(resi 26 and name C5' )
(resi 26 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 27 and name P )
(resi 27 and name O5' )
(resi 27 and name C5' )
(resi 27 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 28 and name P )
(resi 28 and name O5' )
(resi 28 and name C5' )
(resi 28 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 29 and name P )
(resi 29 and name O5' )
(resi 29 and name C5' )
(resi 29 and name C4' ) 3.0 165.33 20.0 2 {*beta*}
assign (resi 2 and name O5' )
(resi 2 and name C5' )
(resi 2 and name C4' )
(resi 2 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 3 and name O5' )
(resi 3 and name C5' )
(resi 3 and name C4' )
(resi 3 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 4 and name O5' )
(resi 4 and name C5' )
(resi 4 and name C4' )
(resi 4 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 5 and name O5' )
(resi 5 and name C5' )
(resi 5 and name C4' )
(resi 5 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 8 and name O5' )
(resi 8 and name C5' )
(resi 8 and name C4' )
(resi 8 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 9 and name O5' )
(resi 9 and name C5' )
(resi 9 and name C4' )
(resi 9 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 10 and name O5' )
(resi 10 and name C5' )
(resi 10 and name C4' )
(resi 10 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 11 and name O5' )
(resi 11 and name C5' )
(resi 11 and name C4' )
(resi 11 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 14 and name O5' )
(resi 14 and name C5' )
(resi 14 and name C4' )
(resi 14 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 15 and name O5' )
(resi 15 and name C5' )
(resi 15 and name C4' )
(resi 15 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 16 and name O5' )
(resi 16 and name C5' )
(resi 16 and name C4' )
(resi 16 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 17 and name O5' )
(resi 17 and name C5' )
(resi 17 and name C4' )
(resi 17 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 20 and name O5' )
(resi 20 and name C5' )
(resi 20 and name C4' )
(resi 20 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 21 and name O5' )
(resi 21 and name C5' )
(resi 21 and name C4' )
(resi 21 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 22 and name O5' )
(resi 22 and name C5' )
(resi 22 and name C4' )
(resi 22 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 23 and name O5' )
(resi 23 and name C5' )
(resi 23 and name C4' )
(resi 23 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 26 and name O5' )
(resi 26 and name C5' )
(resi 26 and name C4' )
(resi 26 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 27 and name O5' )
(resi 27 and name C5' )
(resi 27 and name C4' )
(resi 27 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 28 and name O5' )
(resi 28 and name C5' )
(resi 28 and name C4' )
(resi 28 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 29 and name O5' )
(resi 29 and name C5' )
(resi 29 and name C4' )
(resi 29 and name C3' ) 3.0 58 20.0 2 {*gamma*}
assign (resi 1 and name C3' )
(resi 1 and name O3' )
(resi 2 and name P )
(resi 2 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 2 and name C3' )
(resi 2 and name O3' )
(resi 3 and name P )
(resi 3 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 3 and name C3' )
(resi 3 and name O3' )
(resi 4 and name P )
(resi 4 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 4 and name C3' )
(resi 4 and name O3' )
(resi 5 and name P )
(resi 5 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 5 and name C3' )
(resi 5 and name O3' )
(resi 6 and name P )
(resi 6 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 7 and name C3' )
(resi 7 and name O3' )
(resi 8 and name P )
(resi 8 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 8 and name C3' )
(resi 8 and name O3' )
(resi 9 and name P )
(resi 9 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 9 and name C3' )
(resi 9 and name O3' )
(resi 10 and name P )
(resi 10 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 10 and name C3' )
(resi 10 and name O3' )
(resi 11 and name P )
(resi 11 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 11 and name C3' )
(resi 11 and name O3' )
(resi 12 and name P )
(resi 12 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 13 and name C3' )
(resi 13 and name O3' )
(resi 14 and name P )
(resi 14 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 14 and name C3' )
(resi 14 and name O3' )
(resi 15 and name P )
(resi 15 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 15 and name C3' )
(resi 15 and name O3' )
(resi 16 and name P )
(resi 16 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 16 and name C3' )
(resi 16 and name O3' )
(resi 17 and name P )
(resi 17 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 17 and name C3' )
(resi 17 and name O3' )
(resi 18 and name P )
(resi 18 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 19 and name C3' )
(resi 19 and name O3' )
(resi 20 and name P )
(resi 20 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 20 and name C3' )
(resi 20 and name O3' )
(resi 21 and name P )
(resi 21 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 21 and name C3' )
(resi 21 and name O3' )
(resi 22 and name P )
(resi 22 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 22 and name C3' )
(resi 22 and name O3' )
(resi 23 and name P )
(resi 23 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 23 and name C3' )
(resi 23 and name O3' )
(resi 24 and name P )
(resi 24 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 25 and name C3' )
(resi 25 and name O3' )
(resi 26 and name P )
(resi 26 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 26 and name C3' )
(resi 26 and name O3' )
(resi 27 and name P )
(resi 27 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 27 and name C3' )
(resi 27 and name O3' )
(resi 28 and name P )
(resi 28 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 28 and name C3' )
(resi 28 and name O3' )
(resi 29 and name P )
(resi 29 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
assign (resi 29 and name C3' )
(resi 29 and name O3' )
(resi 30 and name P )
(resi 30 and name O5' ) 3.0 -90.0 20.0 2 {*zeta*}
!changed -154.3 B-form to -34
assign (resi 2 and name C1' )
(resi 2 and name C2' )
(resi 2 and name C3' )
(resi 2 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 3 and name C1' )
(resi 3 and name C2' )
(resi 3 and name C3' )
(resi 3 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 4 and name C1' )
(resi 4 and name C2' )
(resi 4 and name C3' )
(resi 4 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 5 and name C1' )
(resi 5 and name C2' )
(resi 5 and name C3' )
(resi 5 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 8 and name C1' )
(resi 8 and name C2' )
(resi 8 and name C3' )
(resi 8 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 9 and name C1' )
(resi 9 and name C2' )
(resi 9 and name C3' )
(resi 9 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 10 and name C1' )
(resi 10 and name C2' )
(resi 10 and name C3' )
(resi 10 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 11 and name C1' )
(resi 11 and name C2' )
(resi 11 and name C3' )
(resi 11 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 14 and name C1' )
(resi 14 and name C2' )
(resi 14 and name C3' )
(resi 14 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 15 and name C1' )
(resi 15 and name C2' )
(resi 15 and name C3' )
(resi 15 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 16 and name C1' )
(resi 16 and name C2' )
(resi 16 and name C3' )
(resi 16 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 17 and name C1' )
(resi 17 and name C2' )
(resi 17 and name C3' )
(resi 17 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 20 and name C1' )
(resi 20 and name C2' )
(resi 20 and name C3' )
(resi 20 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 21 and name C1' )
(resi 21 and name C2' )
(resi 21 and name C3' )
(resi 21 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 22 and name C1' )
(resi 22 and name C2' )
(resi 22 and name C3' )
(resi 22 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 23 and name C1' )
(resi 23 and name C2' )
(resi 23 and name C3' )
(resi 23 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 26 and name C1' )
(resi 26 and name C2' )
(resi 26 and name C3' )
(resi 26 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 27 and name C1' )
(resi 27 and name C2' )
(resi 27 and name C3' )
(resi 27 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 28 and name C1' )
(resi 28 and name C2' )
(resi 28 and name C3' )
(resi 28 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
assign (resi 29 and name C1' )
(resi 29 and name C2' )
(resi 29 and name C3' )
(resi 29 and name C4' ) 3.0 -34 20.0 2 {*nu2*}
REMARKS restraints dihedral
Scale = 1.0
assign (resi 2 and name O4' )
(resi 2 and name C1' )
(resi 2 and name N9 )
(resi 2 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 3 and name O4' )
(resi 3 and name C1' )
(resi 3 and name N9 )
(resi 3 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 4 and name O4' )
(resi 4 and name C1' )
(resi 4 and name N9 )
(resi 4 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 5 and name O4' )
(resi 5 and name C1' )
(resi 5 and name N9 )
(resi 5 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 8 and name O4' )
(resi 8 and name C1' )
(resi 8 and name N9 )
(resi 8 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 9 and name O4' )
(resi 9 and name C1' )
(resi 9 and name N9 )
(resi 9 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 10 and name O4' )
(resi 10 and name C1' )
(resi 10 and name N9 )
(resi 10 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 11 and name O4' )
(resi 11 and name C1' )
(resi 11 and name N9 )
(resi 11 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 14 and name O4' )
(resi 14 and name C1' )
(resi 14 and name N9 )
(resi 14 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 15 and name O4' )
(resi 15 and name C1' )
(resi 15 and name N9 )
(resi 15 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 16 and name O4' )
(resi 16 and name C1' )
(resi 16 and name N9 )
(resi 16 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 17 and name O4' )
(resi 17 and name C1' )
(resi 17 and name N9 )
(resi 17 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 20 and name O4' )
(resi 20 and name C1' )
(resi 20 and name N9 )
(resi 20 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 21 and name O4' )
(resi 21 and name C1' )
(resi 21 and name N9 )
(resi 21 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 22 and name O4' )
(resi 22 and name C1' )
(resi 22 and name N9 )
(resi 22 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 23 and name O4' )
(resi 23 and name C1' )
(resi 23 and name N9 )
(resi 23 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 26 and name O4' )
(resi 26 and name C1' )
(resi 26 and name N9 )
(resi 26 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 27 and name O4' )
(resi 27 and name C1' )
(resi 27 and name N9 )
(resi 27 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 28 and name O4' )
(resi 28 and name C1' )
(resi 28 and name N9 )
(resi 28 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
assign (resi 29 and name O4' )
(resi 29 and name C1' )
(resi 29 and name N9 )
(resi 29 and name C4 ) 3.0 -98.0 20.0 2 ! anti iG
!delta=sugar pucker North-A form (85),South-B form (145), or Intermediate (115)
assign (resi 1 and name C5' )
(resi 1 and name C4' )
(resi 1 and name C3' )
(resi 1 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 2 and name C5' )
(resi 2 and name C4' )
(resi 2 and name C3' )
(resi 2 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 3 and name C5' )
(resi 3 and name C4' )
(resi 3 and name C3' )
(resi 3 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 4 and name C5' )
(resi 4 and name C4' )
(resi 4 and name C3' )
(resi 4 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 5 and name C5' )
(resi 5 and name C4' )
(resi 5 and name C3' )
(resi 5 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 6 and name C5' )
(resi 6 and name C4' )
(resi 6 and name C3' )
(resi 6 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 7 and name C5' )
(resi 7 and name C4' )
(resi 7 and name C3' )
(resi 7 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 8 and name C5' )
(resi 8 and name C4' )
(resi 8 and name C3' )
(resi 8 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 9 and name C5' )
(resi 9 and name C4' )
(resi 9 and name C3' )
(resi 9 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 10 and name C5' )
(resi 10 and name C4' )
(resi 10 and name C3' )
(resi 10 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 11 and name C5' )
(resi 11 and name C4' )
(resi 11 and name C3' )
(resi 11 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 12 and name C5' )
(resi 12 and name C4' )
(resi 12 and name C3' )
(resi 12 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 13 and name C5' )
(resi 13 and name C4' )
(resi 13 and name C3' )
(resi 13 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 14 and name C5' )
(resi 14 and name C4' )
(resi 14 and name C3' )
(resi 14 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 15 and name C5' )
(resi 15 and name C4' )
(resi 15 and name C3' )
(resi 15 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 16 and name C5' )
(resi 16 and name C4' )
(resi 16 and name C3' )
(resi 16 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 17 and name C5' )
(resi 17 and name C4' )
(resi 17 and name C3' )
(resi 17 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 18 and name C5' )
(resi 18 and name C4' )
(resi 18 and name C3' )
(resi 18 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 19 and name C5' )
(resi 19 and name C4' )
(resi 19 and name C3' )
(resi 19 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 20 and name C5' )
(resi 20 and name C4' )
(resi 20 and name C3' )
(resi 20 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 21 and name C5' )
(resi 21 and name C4' )
(resi 21 and name C3' )
(resi 21 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 22 and name C5' )
(resi 22 and name C4' )
(resi 22 and name C3' )
(resi 22 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 23 and name C5' )
(resi 23 and name C4' )
(resi 23 and name C3' )
(resi 23 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 24 and name C5' )
(resi 24 and name C4' )
(resi 24 and name C3' )
(resi 24 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 25 and name C5' )
(resi 25 and name C4' )
(resi 25 and name C3' )
(resi 25 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 26 and name C5' )
(resi 26 and name C4' )
(resi 26 and name C3' )
(resi 26 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 27 and name C5' )
(resi 27 and name C4' )
(resi 27 and name C3' )
(resi 27 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 28 and name C5' )
(resi 28 and name C4' )
(resi 28 and name C3' )
(resi 28 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 29 and name C5' )
(resi 29 and name C4' )
(resi 29 and name C3' )
(resi 29 and name O3' ) 3.0 145 30.0 2 {*delta*}
assign (resi 30 and name C5' )
(resi 30 and name C4' )
(resi 30 and name C3' )
(resi 30 and name O3' ) 3.0 145 30.0 2 {*delta*}
REMARKS restraints dihedral
Scale = 1.0
assign (resi 1 and name C4' )
(resi 1 and name C3' )
(resi 1 and name O3' )
(resi 2 and name P ) 5.0 -170 35.0 2
assign (resi 2 and name C4' )
(resi 2 and name C3' )
(resi 2 and name O3' )
(resi 3 and name P ) 5.0 -170 35.0 2
assign (resi 3 and name C4' )
(resi 3 and name C3' )
(resi 3 and name O3' )
(resi 4 and name P ) 5.0 -170 35.0 2
assign (resi 4 and name C4' )
(resi 4 and name C3' )
(resi 4 and name O3' )
(resi 5 and name P ) 5.0 -170 35.0 2
assign (resi 5 and name C4' )
(resi 5 and name C3' )
(resi 5 and name O3' )
(resi 6 and name P ) 5.0 -170 35.0 2
assign (resi 7 and name C4' )
(resi 7 and name C3' )
(resi 7 and name O3' )
(resi 8 and name P ) 5.0 -170 35.0 2
assign (resi 8 and name C4' )
(resi 8 and name C3' )
(resi 8 and name O3' )
(resi 9 and name P ) 5.0 -170 35.0 2
assign (resi 9 and name C4' )
(resi 9 and name C3' )
(resi 9 and name O3' )
(resi 10 and name P ) 5.0 -170 35.0 2
assign (resi 10 and name C4' )
(resi 10 and name C3' )
(resi 10 and name O3' )
(resi 11 and name P ) 5.0 -170 35.0 2
assign (resi 11 and name C4' )
(resi 11 and name C3' )
(resi 11 and name O3' )
(resi 12 and name P ) 5.0 -170 35.0 2
assign (resi 13 and name C4' )
(resi 13 and name C3' )
(resi 13 and name O3' )
(resi 14 and name P ) 5.0 -170 35.0 2
assign (resi 14 and name C4' )
(resi 14 and name C3' )
(resi 14 and name O3' )
(resi 15 and name P ) 5.0 -170 35.0 2
assign (resi 15 and name C4' )
(resi 15 and name C3' )
(resi 15 and name O3' )
(resi 16 and name P ) 5.0 -170 35.0 2
assign (resi 16 and name C4' )
(resi 16 and name C3' )
(resi 16 and name O3' )
(resi 17 and name P ) 5.0 -170 35.0 2
assign (resi 17 and name C4' )
(resi 17 and name C3' )
(resi 17 and name O3' )
(resi 18 and name P ) 5.0 -170 35.0 2
assign (resi 19 and name C4' )
(resi 19 and name C3' )
(resi 19 and name O3' )
(resi 20 and name P ) 5.0 -170 35.0 2
assign (resi 20 and name C4' )
(resi 20 and name C3' )
(resi 20 and name O3' )
(resi 21 and name P ) 5.0 -170 35.0 2
assign (resi 21 and name C4' )
(resi 21 and name C3' )
(resi 21 and name O3' )
(resi 22 and name P ) 5.0 -170 35.0 2
assign (resi 22 and name C4' )
(resi 22 and name C3' )
(resi 22 and name O3' )
(resi 23 and name P ) 5.0 -170 35.0 2
assign (resi 23 and name C4' )
(resi 23 and name C3' )
(resi 23 and name O3' )
(resi 24 and name P ) 5.0 -170 35.0 2
assign (resi 25 and name C4' )
(resi 25 and name C3' )
(resi 25 and name O3' )
(resi 26 and name P ) 5.0 -170 35.0 2
assign (resi 26 and name C4' )
(resi 26 and name C3' )
(resi 26 and name O3' )
(resi 27 and name P ) 5.0 -170 35.0 2
assign (resi 27 and name C4' )
(resi 27 and name C3' )
(resi 27 and name O3' )
(resi 28 and name P ) 5.0 -170 35.0 2
assign (resi 28 and name C4' )
(resi 28 and name C3' )
(resi 28 and name O3' )
(resi 29 and name P ) 5.0 -170 35.0 2
assign (resi 29 and name C4' )
(resi 29 and name C3' )
(resi 29 and name O3' )
(resi 30 and name P ) 5.0 -170 35.0 2
set message=on echo=on end
for $nchir in (1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
16 17 18 19 20 21 22 23 24 25 26 27 28 29 30) loop chiral
restraints dihedral
scale= 1.0
assign
(resid $nchir and name O4' )
(resid $nchir and ((resname CYT and name N1)
or (resname THY and name N1)
or (resname GUA and name N9)
or (resname ADE and name N9)
or (resname IGU and name N9)
) )
(resid $nchir and name C2' )
(resid $nchir and name H1' ) 3.0 70.0 20.0 2
assign
(resid $nchir and name C1' )
(resid $nchir and name C3' )
(resid $nchir and name H2'')
(resid $nchir and name H2' ) 3.0 70.0 20.0 2
assign
(resid $nchir and name C2' )
(resid $nchir and name C4' )
(resid $nchir and name O3' )
(resid $nchir and name H3' ) 3.0 70.0 20.0 2
assign
(resid $nchir and name C3' )
(resid $nchir and name C5' )
(resid $nchir and name O4' )
(resid $nchir and name H4' ) 3.0 70.0 20.0 2
assign
(resid $nchir and name C4' )
(resid $nchir and name O5' )
(resid $nchir and name H5'' )
(resid $nchir and name H5' ) 3.0 70.0 20.0 2
end
end loop chiral
!{* keep Igu amino groups flat *}
for $namin in (2 3 4 5 8 9 10 11 14 15 16 17
20 21 22 23 26 27 28 29) loop amino
restraints dihedral
scale= 1.0
assign
(resid $namin and name H61 )
(resid $namin and name N6 )
(resid $namin and name C6 )
(resid $namin and name N1 ) 3.0 0.0 3.0 2
assign
(resid $namin and name H62 )
(resid $namin and name N6 )
(resid $namin and name C6 )
(resid $namin and name C5 ) 3.0 0.0 3.0 2
end
end loop amino
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