NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
512162 |
2l7d   |
17351 | cing | 1-original | 3 | XPLOR/CNS | dihedral angle |
!Ideal dihedral values for a B-DNA
!
!
!
!Alpha dihedral
!
assign ( resid 1 and name O3' )
( resid 2 and name P )
( resid 2 and name O5' )
( resid 2 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 2 and name O3' )
( resid 3 and name P )
( resid 3 and name O5' )
( resid 3 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 3 and name O3' )
( resid 4 and name P )
( resid 4 and name O5' )
( resid 4 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 4 and name O3' )
( resid 5 and name P )
( resid 5 and name O5' )
( resid 5 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 5 and name O3' )
( resid 6 and name P )
( resid 6 and name O5' )
( resid 6 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 6 and name O3' )
( resid 7 and name P )
( resid 7 and name O5' )
( resid 7 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 7 and name O3' )
( resid 8 and name P )
( resid 8 and name O5' )
( resid 8 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 8 and name O3' )
( resid 9 and name P )
( resid 9 and name O5' )
( resid 9 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 9 and name O3' )
( resid 10 and name P )
( resid 10 and name O5' )
( resid 10 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 10 and name O3' )
( resid 11 and name P )
( resid 11 and name O5' )
( resid 11 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 11 and name O3' )
( resid 12 and name P )
( resid 12 and name O5' )
( resid 12 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 13 and name O3' )
( resid 14 and name P )
( resid 14 and name O5' )
( resid 14 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 14 and name O3' )
( resid 15 and name P )
( resid 15 and name O5' )
( resid 15 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 15 and name O3' )
( resid 16 and name P )
( resid 16 and name O5' )
( resid 16 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 16 and name O3' )
( resid 17 and name P )
( resid 17 and name O5' )
( resid 17 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 17 and name O3' )
( resid 18 and name P )
( resid 18 and name O5' )
( resid 18 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 18 and name O3' )
( resid 19 and name P )
( resid 19 and name O5' )
( resid 19 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 19 and name O3' )
( resid 20 and name P )
( resid 20 and name O5' )
( resid 20 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 20 and name O3' )
( resid 21 and name P )
( resid 21 and name O5' )
( resid 21 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 21 and name O3' )
( resid 22 and name P )
( resid 22 and name O5' )
( resid 22 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 22 and name O3' )
( resid 23 and name P )
( resid 23 and name O5' )
( resid 23 and name C5' ) 1.0 -70.0 50.0 2
assign ( resid 23 and name O3' )
( resid 24 and name P )
( resid 24 and name O5' )
( resid 24 and name C5' ) 1.0 -70.0 50.0 2
!
!Beta dihedral
!
assign ( resid 2 and name P )
( resid 2 and name O5' )
( resid 2 and name C5' )
( resid 2 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 3 and name P )
( resid 3 and name O5' )
( resid 3 and name C5' )
( resid 3 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 4 and name P )
( resid 4 and name O5' )
( resid 4 and name C5' )
( resid 4 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 5 and name P )
( resid 5 and name O5' )
( resid 5 and name C5' )
( resid 5 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 6 and name P )
( resid 6 and name O5' )
( resid 6 and name C5' )
( resid 6 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 7 and name P )
( resid 7 and name O5' )
( resid 7 and name C5' )
( resid 7 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 8 and name P )
( resid 8 and name O5' )
( resid 8 and name C5' )
( resid 8 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 9 and name P )
( resid 9 and name O5' )
( resid 9 and name C5' )
( resid 9 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 10 and name P )
( resid 10 and name O5' )
( resid 10 and name C5' )
( resid 10 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 11 and name P )
( resid 11 and name O5' )
( resid 11 and name C5' )
( resid 11 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 12 and name P )
( resid 12 and name O5' )
( resid 12 and name C5' )
( resid 12 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 14 and name P )
( resid 14 and name O5' )
( resid 14 and name C5' )
( resid 14 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 15 and name P )
( resid 15 and name O5' )
( resid 15 and name C5' )
( resid 15 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 16 and name P )
( resid 16 and name O5' )
( resid 16 and name C5' )
( resid 16 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 17 and name P )
( resid 17 and name O5' )
( resid 17 and name C5' )
( resid 17 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 18 and name P )
( resid 18 and name O5' )
( resid 18 and name C5' )
( resid 18 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 19 and name P )
( resid 19 and name O5' )
( resid 19 and name C5' )
( resid 19 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 20 and name P )
( resid 20 and name O5' )
( resid 20 and name C5' )
( resid 20 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 21 and name P )
( resid 21 and name O5' )
( resid 21 and name C5' )
( resid 21 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 22 and name P )
( resid 22 and name O5' )
( resid 22 and name C5' )
( resid 22 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 23 and name P )
( resid 23 and name O5' )
( resid 23 and name C5' )
( resid 23 and name C4' ) 1.0 180.0 50.0 2
assign ( resid 24 and name P )
( resid 24 and name O5' )
( resid 24 and name C5' )
( resid 24 and name C4' ) 1.0 180.0 50.0 2
!
!Gamma dihedrals
!
assign ( resid 1 and name O5' )
( resid 1 and name C5' )
( resid 1 and name C4' )
( resid 1 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 2 and name O5' )
( resid 2 and name C5' )
( resid 2 and name C4' )
( resid 2 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 3 and name O5' )
( resid 3 and name C5' )
( resid 3 and name C4' )
( resid 3 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 4 and name O5' )
( resid 4 and name C5' )
( resid 4 and name C4' )
( resid 4 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 5 and name O5' )
( resid 5 and name C5' )
( resid 5 and name C4' )
( resid 5 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 6 and name O5' )
( resid 6 and name C5' )
( resid 6 and name C4' )
( resid 6 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 7 and name O5' )
( resid 7 and name C5' )
( resid 7 and name C4' )
( resid 7 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 8 and name O5' )
( resid 8 and name C5' )
( resid 8 and name C4' )
( resid 8 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 9 and name O5' )
( resid 9 and name C5' )
( resid 9 and name C4' )
( resid 9 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 10 and name O5' )
( resid 10 and name C5' )
( resid 10 and name C4' )
( resid 10 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 11 and name O5' )
( resid 11 and name C5' )
( resid 11 and name C4' )
( resid 11 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 12 and name O5' )
( resid 12 and name C5' )
( resid 12 and name C4' )
( resid 12 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 13 and name O5' )
( resid 13 and name C5' )
( resid 13 and name C4' )
( resid 13 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 14 and name O5' )
( resid 14 and name C5' )
( resid 14 and name C4' )
( resid 14 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 15 and name O5' )
( resid 15 and name C5' )
( resid 15 and name C4' )
( resid 15 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 16 and name O5' )
( resid 16 and name C5' )
( resid 16 and name C4' )
( resid 16 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 17 and name O5' )
( resid 17 and name C5' )
( resid 17 and name C4' )
( resid 17 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 18 and name O5' )
( resid 18 and name C5' )
( resid 18 and name C4' )
( resid 18 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 19 and name O5' )
( resid 19 and name C5' )
( resid 19 and name C4' )
( resid 19 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 20 and name O5' )
( resid 20 and name C5' )
( resid 20 and name C4' )
( resid 20 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 21 and name O5' )
( resid 21 and name C5' )
( resid 21 and name C4' )
( resid 21 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 22 and name O5' )
( resid 22 and name C5' )
( resid 22 and name C4' )
( resid 22 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 23 and name O5' )
( resid 23 and name C5' )
( resid 23 and name C4' )
( resid 23 and name C3' ) 1.0 60.0 35.0 2
assign ( resid 24 and name O5' )
( resid 24 and name C5' )
( resid 24 and name C4' )
( resid 24 and name C3' ) 1.0 60.0 35.0 2
!
!Delta dihedrals
! Use Bax & Lerner's JMR 79, 429-438 values.
! CDS 06/04/18 - disabled - this forces B-form DNA
!assign ( resid 1 and name C5' )
! ( resid 1 and name C4' )
! ( resid 1 and name C3' )
! ( resid 1 and name O3' ) 1.0 140.0 35.0 2 ! 1 122.5 20.0 2
!
!assign ( resid 2 and name C5' )
! ( resid 2 and name C4' )
! ( resid 2 and name C3' )
! ( resid 2 and name O3' ) 1.0 140.0 35.0 2 ! 1 121.8 20.0 2
!
!assign ( resid 3 and name C5' )
! ( resid 3 and name C4' )
! ( resid 3 and name C3' )
! ( resid 3 and name O3' ) 1.0 140.0 35.0 2 ! 1 124.4 20.0 2
!
!assign ( resid 4 and name C5' )
! ( resid 4 and name C4' )
! ( resid 4 and name C3' )
! ( resid 4 and name O3' ) 1.0 140.0 35.0 2 ! 1 128.4 20.0 2
!
!assign ( resid 5 and name C5' )
! ( resid 5 and name C4' )
! ( resid 5 and name C3' )
! ( resid 5 and name O3' ) 1.0 140.0 35.0 2 ! 1 126.7 20.0 2
!
!assign ( resid 6 and name C5' )
! ( resid 6 and name C4' )
! ( resid 6 and name C3' )
! ( resid 6 and name O3' ) 1.0 140.0 35.0 2 ! 1 122.7 20.0 2
!
!assign ( resid 7 and name C5' )
! ( resid 7 and name C4' )
! ( resid 7 and name C3' )
! ( resid 7 and name O3' ) 1.0 140.0 35.0 2 ! 1 110.7 20.0 2
!
!assign ( resid 8 and name C5' )
! ( resid 8 and name C4' )
! ( resid 8 and name C3' )
! ( resid 8 and name O3' ) 1.0 140.0 35.0 2 ! 1 121.1 20.0 2
!
!assign ( resid 9 and name C5' )
! ( resid 9 and name C4' )
! ( resid 9 and name C3' )
! ( resid 9 and name O3' ) 1.0 140.0 35.0 2 ! 1 120.3 20.0 2
!
!assign ( resid 10 and name C5' )
! ( resid 10 and name C4' )
! ( resid 10 and name C3' )
! ( resid 10 and name O3' ) 1.0 140.0 35.0 2 ! 1 127.8 20.0 2
!
!assign ( resid 11 and name C5' )
! ( resid 11 and name C4' )
! ( resid 11 and name C3' )
! ( resid 11 and name O3' )1.0 140.0 35.0 2 ! 1 117.5 20.0 2
!
!assign ( resid 12 and name C5' )
! ( resid 12 and name C4' )
! ( resid 12 and name C3' )
! ( resid 12 and name O3' ) 1.0 140.0 35.0 2 ! 1 123.3 20.0 2
!
!assign ( resid 13 and name C5' )
! ( resid 13 and name C4' )
! ( resid 13 and name C3' )
! ( resid 13 and name O3' ) 1.0 140.0 35.0 2 !1 122.5 20.0 2
!
!assign ( resid 14 and name C5' )
! ( resid 14 and name C4' )
! ( resid 14 and name C3' )
! ( resid 14 and name O3' ) 1.0 140.0 35.0 2 ! 1 121.8 20.0 2
!
!assign ( resid 15 and name C5' )
! ( resid 15 and name C4' )
! ( resid 15 and name C3' )
! ( resid 15 and name O3' ) 1.0 140.0 35.0 2 ! 1 124.4 20.0 2
!
!assign ( resid 16 and name C5' )
! ( resid 16 and name C4' )
! ( resid 16 and name C3' )
! ( resid 16 and name O3' ) 1.0 140.0 35.0 2 ! 1 128.4 20.0 2
!
!assign ( resid 17 and name C5' )
! ( resid 17 and name C4' )
! ( resid 17 and name C3' )
! ( resid 17 and name O3' ) 1.0 140.0 35.0 2 ! 1 126.7 20.0 2
!
!assign ( resid 18 and name C5' )
! ( resid 18 and name C4' )
! ( resid 18 and name C3' )
! ( resid 18 and name O3' ) 1.0 140.0 35.0 2 ! 1 122.7 20.0 2
!
!assign ( resid 19 and name C5' )
! ( resid 19 and name C4' )
! ( resid 19 and name C3' )
! ( resid 19 and name O3' ) 1.0 140.0 35.0 2 ! 1 110.7 20.0 2
!
!assign ( resid 20 and name C5' )
! ( resid 20 and name C4' )
! ( resid 20 and name C3' )
! ( resid 20 and name O3' ) 1.0 140.0 35.0 2 ! 1 121.1 20.0 2
!
!assign ( resid 21 and name C5' )
! ( resid 21 and name C4' )
! ( resid 21 and name C3' )
! ( resid 21 and name O3' ) 1.0 140.0 35.0 2 ! 1 120.3 20.0 2
!
!assign ( resid 22 and name C5' )
! ( resid 22 and name C4' )
! ( resid 22 and name C3' )
! ( resid 22 and name O3' ) 1.0 140.0 35.0 2 ! 1 127.8 20.0 2
!
!assign ( resid 23 and name C5' )
! ( resid 23 and name C4' )
! ( resid 23 and name C3' )
! ( resid 23 and name O3' ) 1.0 140.0 35.0 2 ! 1 117.5 20.0 2
!
!assign ( resid 24 and name C5' )
! ( resid 24 and name C4' )
! ( resid 24 and name C3' )
! ( resid 24 and name O3' ) 1.0 140.0 35.0 2 ! 1 123.3 20.0 2
!
!Epsilon dihedrals
!
! Use Sklenar and Bax paper (JACS nov 25, 1987)
!
! removed - to allow B2 form - CDS 06/07/12
!
!Zeta dihedral
!
! removed - to allow B2 form - CDS 06/07/12
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