NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
517482 |
2lbq   |
17572 | cing | 1-original | 3 | XPLOR/CNS | dihedral angle |
!a summarize dihedral restraint table combined by
!updated by jwang May-21-2009
!
!Residue 8-10 form loop region
!
!
!alpha
!
!G1
assign ( resid 1 and name O3' )
( resid 2 and name P )
( resid 2 and name O5' )
( resid 2 and name C5' ) 1.0 -65.0 60.0 2
!
!G2
assign ( resid 1 and name O3' )
( resid 2 and name P )
( resid 2 and name O5' )
( resid 2 and name C5' ) 1.0 -65.0 60.0 2
!
!G3
assign ( resid 2 and name O3' )
( resid 3 and name P )
( resid 3 and name O5' )
( resid 3 and name C5' ) 1.0 -65.0 60.0 2
!
!G4
assign ( resid 3 and name O3' )
( resid 4 and name P )
( resid 4 and name O5' )
( resid 4 and name C5' ) 1.0 -65.0 60.0 2
!
!A5
assign ( resid 4 and name O3' )
( resid 5 and name P )
( resid 5 and name O5' )
( resid 5 and name C5' ) 1.0 -65.0 60.0 2
!C6
assign ( resid 5 and name O3' )
( resid 6 and name P )
( resid 6 and name O5' )
( resid 6 and name C5' ) 1.0 -65.0 60.0 2
!
!U7
assign ( resid 6 and name O3' )
( resid 7 and name P )
( resid 7 and name O5' )
( resid 7 and name C5' ) 1.0 -79.0 60.0 2
!
!A11
assign ( resid 10 and name O3' )
( resid 11 and name P )
( resid 11 and name O5' )
( resid 11 and name C5' ) 1.0 -65.0 60.0 2
!
!A12
assign ( resid 11 and name O3' )
( resid 12 and name P )
( resid 12 and name O5' )
( resid 12 and name C5' ) 1.0 -65.0 60.0 2
!
!U13
assign ( resid 12 and name O3' )
( resid 13 and name P )
( resid 13 and name O5' )
( resid 13 and name C5' ) 1.0 -65.0 60.0 2
!
!
!C14
assign ( resid 13 and name O3' )
( resid 14 and name P )
( resid 14 and name O5' )
( resid 14 and name C5' ) 1.0 -65.0 60.0 2
!
!C15
assign ( resid 14 and name O3' )
( resid 15 and name P )
( resid 15 and name O5' )
( resid 15 and name C5' ) 1.0 -65.0 60.0 2
!
!C16
assign ( resid 15 and name O3' )
( resid 16 and name P )
( resid 16 and name O5' )
( resid 16 and name C5' ) 1.0 -65.0 60.0 2
!
!C17
assign ( resid 16 and name O3' )
( resid 17 and name P )
( resid 17 and name O5' )
( resid 17 and name C5' ) 1.0 -65.0 60.0 2
!
!
! backbone beta constraints
! updated 8/27/08
!
!
! beta
!
!
!
!G1
assign (resid 1 and name P )
(resid 1 and name O5')
(resid 1 and name C5')
(resid 1 and name C4') 1.0 -180.0 40.0 2
!
!G2
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 40.0 2
!
!G3
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 40.0 2
!
!G4
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 40.0 2
!
!A5
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 40.0 2
!
!C6
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 40.0 2
!
!U7
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 40.0 2
!
!8
assign (resid 8 and name P )
(resid 8 and name O5')
(resid 8 and name C5')
(resid 8 and name C4') 1.0 -170.0 60.0 2
!
!9
!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 60.0 2
!
!10
!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 60.0 2
!
!A11
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 40.0 2
!
!A12
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 40.0 2
!
!U13
assign (resid 13 and name P )
(resid 13 and name O5')
(resid 13 and name C5')
(resid 13 and name C4') 1.0 -180.0 40.0 2
!
!C14
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 40.0 2
!
!C15
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 40.0 2
!
!C16
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 40.0 2
!
!C17
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 40.0 2
! backbone gamma constraints SLX26
!
!
! gamma
!
!
!
!
! backbone epsilon constraints SLX26
! updated 4/4/07
!
!
! epsilon
!
!
! G1
!
assign (resid 1 and name C4')
(resid 1 and name C3')
(resid 1 and name O3')
(resid 2 and name P ) 1.0 -150.0 40.0 2
!
! G2
!
assign (resid 2 and name C4')
(resid 2 and name C3')
(resid 2 and name O3')
(resid 3 and name P ) 1.0 -150.0 40.0 2
!
! G3 (trans)
!
assign (resid 3 and name C4')
(resid 3 and name C3')
(resid 3 and name O3')
(resid 4 and name P ) 1.0 -150.0 40.0 2
!
! G4 (trans)
!
assign (resid 4 and name C4')
(resid 4 and name C3')
(resid 4 and name O3')
(resid 5 and name P ) 1.0 -150.0 40.0 2
!
! A5
!
assign (resid 5 and name C4')
(resid 5 and name C3')
(resid 5 and name O3')
(resid 6 and name P ) 1.0 -150.0 40.0 2
!
! C6
!
assign (resid 6 and name C4')
(resid 6 and name C3')
(resid 6 and name O3')
(resid 7 and name P ) 1.0 -150.0 40.0 2
!
! U7
!
assign (resid 7 and name C4')
(resid 7 and name C3')
(resid 7 and name O3')
(resid 8 and name P ) 1.0 -175.0 40.0 2
!
!
! 8
!
!assign (resid 8 and name C4')
! (resid 8 and name C3')
!(resid 8 and name O3')
!(resid 9 and name P ) 1.0 -150.0 50.0 2
!
! 9
!
!assign (resid 9 and name C4')
!(resid 9 and name C3')
!(resid 9 and name O3')
!(resid 10 and name P ) 1.0 -150.0 50.0 2
!
! 10
!
!assign (resid 10 and name C4')
!(resid 10 and name C3')
!(resid 10 and name O3')
!(resid 11 and name P ) 1.0 -150.0 50.0 2
!
!
! A11 (trans)
!
assign (resid 11 and name C4')
(resid 11 and name C3')
(resid 11 and name O3')
(resid 12 and name P ) 1.0 -150.0 40.0 2
!
! A12 (trans)
!
assign (resid 12 and name C4')
(resid 12 and name C3')
(resid 12 and name O3')
(resid 13 and name P ) 1.0 -150.0 40.0 2
!
! U13 (trans)
!
assign (resid 13 and name C4')
(resid 13 and name C3')
(resid 13 and name O3')
(resid 14 and name P ) 1.0 -150.0 40.0 2
!
! C14 (trans)
!
assign (resid 14 and name C4')
(resid 14 and name C3')
(resid 14 and name O3')
(resid 15 and name P ) 1.0 -150.0 40.0 2
!
! C15 (trans)
!
assign (resid 15 and name C4')
(resid 15 and name C3')
(resid 15 and name O3')
(resid 16 and name P ) 1.0 -150.0 40.0 2
!
! C16
!
assign (resid 16 and name C4')
(resid 16 and name C3')
(resid 16 and name O3')
(resid 17 and name P ) 1.0 -150.0 40.0 2
! backbone alpha and zeta constraints SLX26
! updated 4/4/07
!
!
!
! zeta
!
!
! G1
!
assign (resid 1 and name C3')
(resid 1 and name O3')
(resid 2 and name P )
(resid 2 and name O5') 1.0 -75.0 60.0 2
!
! G2
!
assign (resid 2 and name C3')
(resid 2 and name O3')
(resid 3 and name P )
(resid 3 and name O5') 1.0 -75.0 60.0 2
!
! G3
!
assign (resid 3 and name C3')
(resid 3 and name O3')
(resid 4 and name P )
(resid 4 and name O5') 1.0 -75.0 60.0 2
!
! G4
!
assign (resid 4 and name C3')
(resid 4 and name O3')
(resid 5 and name P )
(resid 5 and name O5') 1.0 -75.0 60.0 2
!
! A5
!
assign (resid 5 and name C3')
(resid 5 and name O3')
(resid 6 and name P )
(resid 6 and name O5') 1.0 -75.0 60.0 2
!
! C6
!
assign (resid 6 and name C3')
(resid 6 and name O3')
(resid 7 and name P )
(resid 7 and name O5') 1.0 -75.0 60.0 2
!
! U7
!
assign (resid 7 and name C3')
(resid 7 and name O3')
(resid 8 and name P )
(resid 8 and name O5') 1.0 -33.0 60.0 2
!
! A11
!
assign (resid 11 and name C3')
(resid 11 and name O3')
(resid 12 and name P )
(resid 12 and name O5') 1.0 -75.0 60.0 2
!
! A12
!
assign (resid 12 and name C3')
(resid 12 and name O3')
(resid 13 and name P )
(resid 13 and name O5') 1.0 -75.0 60.0 2
!
! U13
!
assign (resid 13 and name C3')
(resid 13 and name O3')
(resid 14 and name P )
(resid 14 and name O5') 1.0 -75.0 60.0 2
!
! C14
!
assign (resid 14 and name C3')
(resid 14 and name O3')
(resid 15 and name P )
(resid 15 and name O5') 1.0 -75.0 60.0 2
!
! C15
!
assign (resid 15 and name C3')
(resid 15 and name O3')
(resid 16 and name P )
(resid 16 and name O5') 1.0 -75.0 60.0 2
!
! C16
!
assign (resid 16 and name C3')
(resid 16 and name O3')
(resid 17 and name P )
(resid 17 and name O5') 1.0 -75.0 60.0 2
!Sugar pucker constraints
!
!
! G1 - C3' endo
!
assign (resid 1 and name O4')
(resid 1 and name C4')
(resid 1 and name C3')
(resid 1 and name C2') 1.0 -36.1 3.0 2
assign (resid 1 and name C4')
(resid 1 and name C3')
(resid 1 and name C2')
(resid 1 and name C1') 1.0 37.3 3.0 2
assign (resid 1 and name C3')
(resid 1 and name C2')
(resid 1 and name C1')
(resid 1 and name O4') 1.0 -25.8 3.0 2
!
! G2 - C3' endo
!
assign (resid 2 and name O4')
(resid 2 and name C4')
(resid 2 and name C3')
(resid 2 and name C2') 1.0 -36.1 3.0 2
assign (resid 2 and name C4')
(resid 2 and name C3')
(resid 2 and name C2')
(resid 2 and name C1') 1.0 37.3 3.0 2
assign (resid 2 and name C3')
(resid 2 and name C2')
(resid 2 and name C1')
(resid 2 and name O4') 1.0 -25.8 3.0 2
!
! G3 - C3' endo
!
assign (resid 3 and name O4')
(resid 3 and name C4')
(resid 3 and name C3')
(resid 3 and name C2') 1.0 -36.1 3.0 2
assign (resid 3 and name C4')
(resid 3 and name C3')
(resid 3 and name C2')
(resid 3 and name C1') 1.0 37.3 3.0 2
assign (resid 3 and name C3')
(resid 3 and name C2')
(resid 3 and name C1')
(resid 3 and name O4') 1.0 -25.8 3.0 2
!
! G4 - C3' endo
!
assign (resid 4 and name O4')
(resid 4 and name C4')
(resid 4 and name C3')
(resid 4 and name C2') 1.0 -36.1 3.0 2
assign (resid 4 and name C4')
(resid 4 and name C3')
(resid 4 and name C2')
(resid 4 and name C1') 1.0 37.3 3.0 2
assign (resid 4 and name C3')
(resid 4 and name C2')
(resid 4 and name C1')
(resid 4 and name O4') 1.0 -25.8 3.0 2
!
! A5 - C3' endo
!
assign (resid 5 and name O4')
(resid 5 and name C4')
(resid 5 and name C3')
(resid 5 and name C2') 1.0 -36.1 3.0 2
assign (resid 5 and name C4')
(resid 5 and name C3')
(resid 5 and name C2')
(resid 5 and name C1') 1.0 37.3 3.0 2
assign (resid 5 and name C3')
(resid 5 and name C2')
(resid 5 and name C1')
(resid 5 and name O4') 1.0 -25.8 3.0 2
!
! C6 - C3' endo
!
assign (resid 6 and name O4')
(resid 6 and name C4')
(resid 6 and name C3')
(resid 6 and name C2') 1.0 -36.1 3.0 2
assign (resid 6 and name C4')
(resid 6 and name C3')
(resid 6 and name C2')
(resid 6 and name C1') 1.0 37.3 3.0 2
assign (resid 6 and name C3')
(resid 6 and name C2')
(resid 6 and name C1')
(resid 6 and name O4') 1.0 -25.8 3.0 2
!
! U7 - C3' endo
!
assign (resid 7 and name O4')
(resid 7 and name C4')
(resid 7 and name C3')
(resid 7 and name C2') 1.0 -36.1 3.0 2
assign (resid 7 and name C4')
(resid 7 and name C3')
(resid 7 and name C2')
(resid 7 and name C1') 1.0 37.3 3.0 2
assign (resid 7 and name C3')
(resid 7 and name C2')
(resid 7 and name C1')
(resid 7 and name O4') 1.0 -25.8 3.0 2
!
! G8 - C3' endo
!
assign (resid 8 and name O4')
(resid 8 and name C4')
(resid 8 and name C3')
(resid 8 and name C2') 1.0 -36.1 3.0 2
assign (resid 8 and name C4')
(resid 8 and name C3')
(resid 8 and name C2')
(resid 8 and name C1') 1.0 37.3 3.0 2
assign (resid 8 and name C3')
(resid 8 and name C2')
(resid 8 and name C1')
(resid 8 and name O4') 1.0 -25.8 3.0 2
!
! U9 - C3' endo
!
assign (resid 9 and name O4')
(resid 9 and name C4')
(resid 9 and name C3')
(resid 9 and name C2') 1.0 33.3 3.0 2
assign (resid 9 and name C4')
(resid 9 and name C3')
(resid 9 and name C2')
(resid 9 and name C1') 1.0 -34.9 3.0 2
assign (resid 9 and name C3')
(resid 9 and name C2')
(resid 9 and name C1')
(resid 9 and name O4') 1.0 24.9 3.0 2
!
! A10 - C3' endo
!
assign (resid 10 and name O4')
(resid 10 and name C4')
(resid 10 and name C3')
(resid 10 and name C2') 1.0 -36.1 3.0 2
assign (resid 10 and name C4')
(resid 10 and name C3')
(resid 10 and name C2')
(resid 10 and name C1') 1.0 37.3 3.0 2
assign (resid 10 and name C3')
(resid 10 and name C2')
(resid 10 and name C1')
(resid 10 and name O4') 1.0 -25.8 3.0 2
!
! A11 - C3' endo
!
assign (resid 11 and name O4')
(resid 11 and name C4')
(resid 11 and name C3')
(resid 11 and name C2') 1.0 -36.1 3.0 2
assign (resid 11 and name C4')
(resid 11 and name C3')
(resid 11 and name C2')
(resid 11 and name C1') 1.0 37.3 3.0 2
assign (resid 11 and name C3')
(resid 11 and name C2')
(resid 11 and name C1')
(resid 11 and name O4') 1.0 -25.8 3.0 2
!
! A12 - C3' endo
!
assign (resid 12 and name O4')
(resid 12 and name C4')
(resid 12 and name C3')
(resid 12 and name C2') 1.0 -36.1 3.0 2
assign (resid 12 and name C4')
(resid 12 and name C3')
(resid 12 and name C2')
(resid 12 and name C1') 1.0 37.3 3.0 2
assign (resid 12 and name C3')
(resid 12 and name C2')
(resid 12 and name C1')
(resid 12 and name O4') 1.0 -25.8 3.0 2
!
! U13 - C3' endo
!
assign (resid 13 and name O4')
(resid 13 and name C4')
(resid 13 and name C3')
(resid 13 and name C2') 1.0 -36.1 3.0 2
assign (resid 13 and name C4')
(resid 13 and name C3')
(resid 13 and name C2')
(resid 13 and name C1') 1.0 37.3 3.0 2
assign (resid 13 and name C3')
(resid 13 and name C2')
(resid 13 and name C1')
(resid 13 and name O4') 1.0 -25.8 3.0 2
!
! C14 - C3' endo
!
assign (resid 14 and name O4')
(resid 14 and name C4')
(resid 14 and name C3')
(resid 14 and name C2') 1.0 -36.1 3.0 2
assign (resid 14 and name C4')
(resid 14 and name C3')
(resid 14 and name C2')
(resid 14 and name C1') 1.0 37.3 3.0 2
assign (resid 14 and name C3')
(resid 14 and name C2')
(resid 14 and name C1')
(resid 14 and name O4') 1.0 -25.8 3.0 2
!
! C15 - C3' endo
!
assign (resid 15 and name O4')
(resid 15 and name C4')
(resid 15 and name C3')
(resid 15 and name C2') 1.0 -36.1 3.0 2
assign (resid 15 and name C4')
(resid 15 and name C3')
(resid 15 and name C2')
(resid 15 and name C1') 1.0 37.3 3.0 2
assign (resid 15 and name C3')
(resid 15 and name C2')
(resid 15 and name C1')
(resid 15 and name O4') 1.0 -25.8 3.0 2
!
! C16 - C3' endo
!
assign (resid 16 and name O4')
(resid 16 and name C4')
(resid 16 and name C3')
(resid 16 and name C2') 1.0 -36.1 3.0 2
assign (resid 16 and name C4')
(resid 16 and name C3')
(resid 16 and name C2')
(resid 16 and name C1') 1.0 37.3 3.0 2
assign (resid 16 and name C3')
(resid 16 and name C2')
(resid 16 and name C1')
(resid 16 and name O4') 1.0 -25.8 3.0 2
!
! C17 - C3' endo
!
assign (resid 17 and name O4')
(resid 17 and name C4')
(resid 17 and name C3')
(resid 17 and name C2') 1.0 -36.1 3.0 2
assign (resid 17 and name C4')
(resid 17 and name C3')
(resid 17 and name C2')
(resid 17 and name C1') 1.0 37.3 3.0 2
assign (resid 17 and name C3')
(resid 17 and name C2')
(resid 17 and name C1')
(resid 17 and name O4') 1.0 -25.8 3.0 2
!Base pair plane restraints
!
!G1-C17
assign (resid 1 and name C5 )
(resid 1 and name C6 )
(resid 1 and name N1 )
(resid 17 and name C6 ) 5.0 180.0 5.0 2
assign (resid 17 and name C5 )
(resid 17 and name C4 )
(resid 17 and name N3 )
(resid 1 and name N1 ) 5.0 180.0 5.0 2
assign (resid 1 and name C5 )
(resid 1 and name N1 )
(resid 17 and name N3 )
(resid 17 and name N1 ) 5.0 180.0 5.0 2
!
!
!G2-C16
assign (resid 2 and name C5 )
(resid 2 and name C6 )
(resid 2 and name N1 )
(resid 16 and name C6 ) 5.0 180.0 5.0 2
assign (resid 16 and name C5 )
(resid 16 and name C4 )
(resid 16 and name N3 )
(resid 2 and name N1 ) 5.0 180.0 5.0 2
assign (resid 2 and name C5 )
(resid 2 and name N1 )
(resid 16 and name N3 )
(resid 16 and name N1 ) 5.0 180.0 5.0 2
!
!G3-C15
assign (resid 3 and name C5 )
(resid 3 and name C6 )
(resid 3 and name N1 )
(resid 15 and name C6 ) 5.0 180.0 5.0 2
assign (resid 15 and name C5 )
(resid 15 and name C4 )
(resid 15 and name N3 )
(resid 3 and name N1 ) 5.0 180.0 5.0 2
assign (resid 3 and name C5 )
(resid 3 and name N1 )
(resid 15 and name N3 )
(resid 15 and name N1 ) 5.0 180.0 5.0 2
!
!G4-C14
assign (resid 4 and name C5 )
(resid 4 and name C6 )
(resid 4 and name N1 )
(resid 14 and name C6 ) 5.0 180.0 5.0 2
assign (resid 14 and name C5 )
(resid 14 and name C4 )
(resid 14 and name N3 )
(resid 4 and name N1 ) 5.0 180.0 5.0 2
assign (resid 4 and name C5 )
(resid 4 and name N1 )
(resid 14 and name N3 )
(resid 14 and name N1 ) 5.0 180.0 5.0 2
!
!A5-U13
assign (resid 5 and name C5 )
(resid 5 and name C6 )
(resid 5 and name N1 )
(resid 13 and name C6 ) 5.0 180.0 5.0 2
assign (resid 13 and name C5 )
(resid 13 and name C4 )
(resid 13 and name N3 )
(resid 5 and name N1 ) 5.0 180.0 5.0 2
!
!C6-A12
assign (resid 6 and name C6 )
(resid 6 and name N1 )
(resid 6 and name C2 )
(resid 12 and name C4 ) 5.0 180.0 5.0 2
assign (resid 12 and name C5 )
(resid 12 and name C6 )
(resid 12 and name N1 )
(resid 6 and name C2 ) 5.0 180.0 5.0 2
!A11-U7
!assign (resid 11 and name C5 )
!(resid 11 and name C6 )
!(resid 11 and name N1 )
!(resid 7 and name N3 ) 1.0 180 5.0 2
!assign (resid 11 and name C5 )
!(resid 11 and name C6 )
!(resid 11 and name N6 )
!(resid 7 and name O4 ) 1.0 180 5.0 2
! base-pairing constraints for the tyr stemloop
! last updated 8/29/08 apd.
!
!
!
!
!
!
!
! U9
! G8 A10
! U7 - A11
! C6 - A12
! A5 - U13
! G4 - C14
! G3 - C15
! G2 - C16
! G1 - C17
! 5' 3'
!
!
Contact the webmaster for help, if required. Saturday, April 27, 2024 9:57:10 AM GMT (wattos1)