NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
15738 |
1ywi   |
6558 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
!Dihedral Restraints
!Model dihedral restraints for ligand in PPII helix conformation
assign ( resid 101 and name c )
( resid 102 and name n )
( resid 102 and name ca )
( resid 102 and name c ) 2.0 -78.0 0.0 2
assign ( resid 102 and name n )
( resid 102 and name ca )
( resid 102 and name c )
( resid 103 and name n ) 2.0 149.0 0.0 2
assign ( resid 102 and name c )
( resid 103 and name n )
( resid 103 and name ca )
( resid 103 and name c ) 2.0 -78.0 0.0 2
assign ( resid 103 and name n )
( resid 103 and name ca )
( resid 103 and name c )
( resid 104 and name n ) 2.0 149.0 0.0 2
assign ( resid 103 and name c )
( resid 104 and name n )
( resid 104 and name ca )
( resid 104 and name c ) 2.0 -78.0 0.0 2
assign ( resid 104 and name n )
( resid 104 and name ca )
( resid 104 and name c )
( resid 105 and name n ) 2.0 149.0 0.0 2
assign ( resid 104 and name c )
( resid 105 and name n )
( resid 105 and name ca )
( resid 105 and name c ) 2.0 -78.0 0.0 2
assign ( resid 105 and name n )
( resid 105 and name ca )
( resid 105 and name c )
( resid 106 and name n ) 2.0 149.0 0.0 2
assign ( resid 105 and name c )
( resid 106 and name n )
( resid 106 and name ca )
( resid 106 and name c ) 2.0 -78.0 0.0 2
assign ( resid 106 and name n )
( resid 106 and name ca )
( resid 106 and name c )
( resid 107 and name n ) 2.0 149.0 0.0 2
assign ( resid 106 and name c )
( resid 107 and name n )
( resid 107 and name ca )
( resid 107 and name c ) 2.0 -78.0 0.0 2
assign ( resid 107 and name n )
( resid 107 and name ca )
( resid 107 and name c )
( resid 108 and name n ) 2.0 149.0 0.0 2
assign ( resid 107 and name c )
( resid 108 and name n )
( resid 108 and name ca )
( resid 108 and name c ) 2.0 -78.0 0.0 2
assign ( resid 108 and name n )
( resid 108 and name ca )
( resid 108 and name c )
( resid 109 and name n ) 2.0 149.0 0.0 2
assign ( resid 108 and name c )
( resid 109 and name n )
( resid 109 and name ca )
( resid 109 and name c ) 2.0 -78.0 0.0 2
assign ( resid 109 and name n )
( resid 109 and name ca )
( resid 109 and name c )
( resid 110 and name n ) 2.0 149.0 0.0 2
! Dihedral restraints from chemical shifts
! CSI restraints, converted by ARIA
! Phi:
! dihedral angle file generated by Csi2Aria.py
! CSI derived phi restraint:
assign (resid 16 and name C)
(resid 17 and name N)
(resid 17 and name CA)
(resid 17 and name C)
1.0 -135 30 2
! CSI derived phi restraint:
assign (resid 17 and name C)
(resid 18 and name N)
(resid 18 and name CA)
(resid 18 and name C)
1.0 -135 30 2
! CSI derived phi restraint:
assign (resid 18 and name C)
(resid 19 and name N)
(resid 19 and name CA)
(resid 19 and name C)
1.0 -135 30 2
! CSI derived phi restraint:
assign (resid 25 and name C)
(resid 26 and name N)
(resid 26 and name CA)
(resid 26 and name C)
1.0 -135 30 2
! CSI derived phi restraint:
assign (resid 26 and name C)
(resid 27 and name N)
(resid 27 and name CA)
(resid 27 and name C)
1.0 -135 30 2
! CSI derived phi restraint:
assign (resid 27 and name C)
(resid 28 and name N)
(resid 28 and name CA)
(resid 28 and name C)
1.0 -135 30 2
! CSI derived phi restraint:
assign (resid 28 and name C)
(resid 29 and name N)
(resid 29 and name CA)
(resid 29 and name C)
1.0 -135 30 2
! CSI derived phi restraint:
assign (resid 29 and name C)
(resid 30 and name N)
(resid 30 and name CA)
(resid 30 and name C)
1.0 -135 30 2
! CSI derived phi restraint:
assign (resid 35 and name C)
(resid 36 and name N)
(resid 36 and name CA)
(resid 36 and name C)
1.0 -135 30 2
! CSI derived phi restraint:
assign (resid 36 and name C)
(resid 37 and name N)
(resid 37 and name CA)
(resid 37 and name C)
1.0 -135 30 2
! CSI derived phi restraint:
assign (resid 37 and name C)
(resid 38 and name N)
(resid 38 and name CA)
(resid 38 and name C)
1.0 -135 30 2
! CSI derived phi restraint:
assign (resid 38 and name C)
(resid 39 and name N)
(resid 39 and name CA)
(resid 39 and name C)
1.0 -135 30 2
! Psi:
! dihedral angle file generated by Csi2Aria.py
! CSI derived psi restraint:
assign (resid 17 and name N)
(resid 17 and name CA)
(resid 17 and name C)
(resid 18 and name N)
1.0 135 30 2
! CSI derived psi restraint:
assign (resid 18 and name N)
(resid 18 and name CA)
(resid 18 and name C)
(resid 19 and name N)
1.0 135 30 2
! CSI derived psi restraint:
assign (resid 19 and name N)
(resid 19 and name CA)
(resid 19 and name C)
(resid 20 and name N)
1.0 135 30 2
! CSI derived psi restraint:
assign (resid 26 and name N)
(resid 26 and name CA)
(resid 26 and name C)
(resid 27 and name N)
1.0 135 30 2
! CSI derived psi restraint:
assign (resid 27 and name N)
(resid 27 and name CA)
(resid 27 and name C)
(resid 28 and name N)
1.0 135 30 2
! CSI derived psi restraint:
assign (resid 28 and name N)
(resid 28 and name CA)
(resid 28 and name C)
(resid 29 and name N)
1.0 135 30 2
! CSI derived psi restraint:
assign (resid 29 and name N)
(resid 29 and name CA)
(resid 29 and name C)
(resid 30 and name N)
1.0 135 30 2
! CSI derived psi restraint:
assign (resid 30 and name N)
(resid 30 and name CA)
(resid 30 and name C)
(resid 31 and name N)
1.0 135 30 2
! CSI derived psi restraint:
assign (resid 36 and name N)
(resid 36 and name CA)
(resid 36 and name C)
(resid 37 and name N)
1.0 135 30 2
! CSI derived psi restraint:
assign (resid 37 and name N)
(resid 37 and name CA)
(resid 37 and name C)
(resid 38 and name N)
1.0 135 30 2
! CSI derived psi restraint:
assign (resid 38 and name N)
(resid 38 and name CA)
(resid 38 and name C)
(resid 39 and name N)
1.0 135 30 2
! CSI derived psi restraint:
assign (resid 39 and name N)
(resid 39 and name CA)
(resid 39 and name C)
(resid 40 and name N)
1.0 135 30 2
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