NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
2913 |
1crp   |
cing | 1-original | 9 | XPLOR/CNS | dihedral angle |
! ras p21, GDP
!
! Dihedral angle restraints.
!
! The HN-HA restraints are derived from the intensities of the
! HN-HN (diagonal), HN-HA and HN-HB crosspeaks in the 3D 15NHMQC-TOCSY
! using the method of Archer et al, Biochemistry (1993) 32, 1164-171.
!
! The other restraints are from the 3J-HA-HB and 3J-CO-HB coupling constants
! derived from the SOFT-HCCH-E.COSY and SOFT-HCCH-COSY spectra described
! in Eggenberger et al, J. Biomol. NMR (1992) 2, 583-590.
!
! Per Kraulis, Dept Biochemistry, University of Cambridge, UK.
! 7-Apr-1993
! 22-Jun-1993 restraints derived from HCCH-ECOSY and HCCH-COSY entered
constraints
dihedral
nassign=100
scale=1.0
!-----------------------------------
! phi dihedral angles for beta-sheet
assi (resid 28 and name C ) (resid 29 and name N)
(resid 29 and name CA) (resid 29 and name C) 1.0 -120.0 50.0 2
assi (resid 36 and name C ) (resid 37 and name N)
(resid 37 and name CA) (resid 37 and name C) 1.0 -120.0 50.0 2
assi (resid 38 and name C ) (resid 39 and name N)
(resid 39 and name CA) (resid 39 and name C) 1.0 -120.0 50.0 2
assi (resid 50 and name C ) (resid 51 and name N)
(resid 51 and name CA) (resid 51 and name C) 1.0 -120.0 50.0 2
assi (resid 73 and name C ) (resid 74 and name N)
(resid 74 and name CA) (resid 74 and name C) 1.0 -120.0 50.0 2
assi (resid 75 and name C ) (resid 76 and name N)
(resid 76 and name CA) (resid 76 and name C) 1.0 -120.0 50.0 2
assi (resid 107 and name C ) (resid 108 and name N)
(resid 108 and name CA) (resid 108 and name C) 1.0 -120.0 50.0 2
assi (resid 108 and name C ) (resid 109 and name N)
(resid 109 and name CA) (resid 109 and name C) 1.0 -120.0 50.0 2
assi (resid 113 and name C ) (resid 114 and name N)
(resid 114 and name CA) (resid 114 and name C) 1.0 -120.0 50.0 2
assi (resid 123 and name C ) (resid 124 and name N)
(resid 124 and name CA) (resid 124 and name C) 1.0 -120.0 50.0 2
assi (resid 124 and name C ) (resid 125 and name N)
(resid 125 and name CA) (resid 125 and name C) 1.0 -120.0 50.0 2
assi (resid 138 and name C ) (resid 139 and name N)
(resid 139 and name CA) (resid 139 and name C) 1.0 -120.0 50.0 2
assi (resid 141 and name C ) (resid 142 and name N)
(resid 142 and name CA) (resid 142 and name C) 1.0 -120.0 50.0 2
assi (resid 143 and name C ) (resid 144 and name N)
(resid 144 and name CA) (resid 144 and name C) 1.0 -120.0 50.0 2
!----------------------
! chi-1 dihedral angles
assi (resid 2 and name N ) (resid 2 and name CA)
(resid 2 and name CB) (resid 2 and name OG1) 1.0 -60.0 30.0 2
assi (resid 4 and name N ) (resid 4 and name CA)
(resid 4 and name CB) (resid 4 and name CG) 1.0 -60.0 30.0 2
assi (resid 6 and name N ) (resid 6 and name CA)
(resid 6 and name CB) (resid 6 and name CG) 1.0 -60.0 30.0 2
assi (resid 7 and name N ) (resid 7 and name CA)
(resid 7 and name CB) (resid 7 and name CG1) 1.0 180.0 30.0 2
assi (resid 8 and name N ) (resid 8 and name CA)
(resid 8 and name CB) (resid 8 and name CG1) 1.0 180.0 30.0 2
assi (resid 20 and name N ) (resid 20 and name CA)
(resid 20 and name CB) (resid 20 and name OG1) 1.0 -60.0 30.0 2
assi (resid 21 and name N ) (resid 21 and name CA)
(resid 21 and name CB) (resid 21 and name CG1) 1.0 -60.0 30.0 2
assi (resid 23 and name N ) (resid 23 and name CA)
(resid 23 and name CB) (resid 23 and name CG) 1.0 180.0 30.0 2
assi (resid 24 and name N ) (resid 24 and name CA)
(resid 24 and name CB) (resid 24 and name CG1) 1.0 -60.0 30.0 2
assi (resid 25 and name N ) (resid 25 and name CA)
(resid 25 and name CB) (resid 25 and name CG) 1.0 -60.0 30.0 2
assi (resid 28 and name N ) (resid 28 and name CA)
(resid 28 and name CB) (resid 28 and name CG) 1.0 180.0 30.0 2
assi (resid 35 and name N ) (resid 35 and name CA)
(resid 35 and name CB) (resid 35 and name OG1) 1.0 60.0 30.0 2
assi (resid 36 and name N ) (resid 36 and name CA)
(resid 36 and name CB) (resid 36 and name CG1) 1.0 -60.0 30.0 2
assi (resid 39 and name N ) (resid 39 and name CA)
(resid 39 and name CB) (resid 39 and name OG) 1.0 60.0 30.0 2
assi (resid 40 and name N ) (resid 40 and name CA)
(resid 40 and name CB) (resid 40 and name CG) 1.0 -60.0 30.0 2
assi (resid 45 and name N ) (resid 45 and name CA)
(resid 45 and name CB) (resid 45 and name CG1) 1.0 180.0 30.0 2
assi (resid 46 and name N ) (resid 46 and name CA)
(resid 46 and name CB) (resid 46 and name CG1) 1.0 -60.0 30.0 2
assi (resid 47 and name N ) (resid 47 and name CA)
(resid 47 and name CB) (resid 47 and name CG) 1.0 -60.0 30.0 2
assi (resid 50 and name N ) (resid 50 and name CA)
(resid 50 and name CB) (resid 50 and name OG1) 1.0 -60.0 30.0 2
assi (resid 51 and name N ) (resid 51 and name CA)
(resid 51 and name CB) (resid 51 and name SG) 1.0 60.0 30.0 2
assi (resid 53 and name N ) (resid 53 and name CA)
(resid 53 and name CB) (resid 53 and name CG) 1.0 -60.0 30.0 2
assi (resid 54 and name N ) (resid 54 and name CA)
(resid 54 and name CB) (resid 54 and name CG) 1.0 180.0 30.0 2
assi (resid 56 and name N ) (resid 56 and name CA)
(resid 56 and name CB) (resid 56 and name CG) 1.0 180.0 30.0 2
assi (resid 57 and name N ) (resid 57 and name CA)
(resid 57 and name CB) (resid 57 and name CG) 1.0 180.0 30.0 2
assi (resid 58 and name N ) (resid 58 and name CA)
(resid 58 and name CB) (resid 58 and name OG1) 1.0 60.0 30.0 2
assi (resid 72 and name N ) (resid 72 and name CA)
(resid 72 and name CB) (resid 72 and name CG) 1.0 -60.0 30.0 2
assi (resid 74 and name N ) (resid 74 and name CA)
(resid 74 and name CB) (resid 74 and name OG1) 1.0 60.0 30.0 2
assi (resid 76 and name N ) (resid 76 and name CA)
(resid 76 and name CB) (resid 76 and name CG) 1.0 -60.0 30.0 2
assi (resid 80 and name N ) (resid 80 and name CA)
(resid 80 and name CB) (resid 80 and name SG) 1.0 -60.0 30.0 2
assi (resid 81 and name N ) (resid 81 and name CA)
(resid 81 and name CB) (resid 81 and name CG1) 1.0 180.0 30.0 2
assi (resid 88 and name N ) (resid 88 and name CA)
(resid 88 and name CB) (resid 88 and name CG) 1.0 180.0 30.0 2
assi (resid 90 and name N ) (resid 90 and name CA)
(resid 90 and name CB) (resid 90 and name CG) 1.0 180.0 30.0 2
assi (resid 93 and name N ) (resid 93 and name CA)
(resid 93 and name CB) (resid 93 and name CG1) 1.0 -60.0 30.0 2
assi (resid 95 and name N ) (resid 95 and name CA)
(resid 95 and name CB) (resid 95 and name CG) 1.0 -60.0 30.0 2
assi (resid 100 and name N ) (resid 100 and name CA)
(resid 100 and name CB) (resid 100 and name CG1) 1.0 -60.0 30.0 2
assi (resid 103 and name N ) (resid 103 and name CA)
(resid 103 and name CB) (resid 103 and name CG1) 1.0 180.0 30.0 2
assi (resid 109 and name N ) (resid 109 and name CA)
(resid 109 and name CB) (resid 109 and name CG1) 1.0 180.0 30.0 2
assi (resid 113 and name N ) (resid 113 and name CA)
(resid 113 and name CB) (resid 113 and name CG) 1.0 180.0 30.0 2
assi (resid 114 and name N ) (resid 114 and name CA)
(resid 114 and name CB) (resid 114 and name CG1) 1.0 180.0 30.0 2
assi (resid 116 and name N ) (resid 116 and name CA)
(resid 116 and name CB) (resid 116 and name CG) 1.0 180.0 30.0 2
assi (resid 118 and name N ) (resid 118 and name CA)
(resid 118 and name CB) (resid 118 and name SG) 1.0 60.0 30.0 2
! This restrain has to be used in order to exclude a minor family of structures
! which have an unreasonable geometry that cannot form proper hydrogen bonds
! involving the carboxylate of 119 Asp and the guanine ring nitrogens.
assi (resid 119 and name N ) (resid 119 and name CA)
(resid 119 and name CB) (resid 119 and name CG) 1.0 60.0 40.0 2
assi (resid 124 and name N ) (resid 124 and name CA)
(resid 124 and name CB) (resid 124 and name OG1) 1.0 60.0 30.0 2
assi (resid 125 and name N ) (resid 125 and name CA)
(resid 125 and name CB) (resid 125 and name CG1) 1.0 180.0 30.0 2
assi (resid 132 and name N ) (resid 132 and name CA)
(resid 132 and name CB) (resid 132 and name CG) 1.0 -60.0 30.0 2
assi (resid 133 and name N ) (resid 133 and name CA)
(resid 133 and name CB) (resid 133 and name CG) 1.0 180.0 30.0 2
assi (resid 137 and name N ) (resid 137 and name CA)
(resid 137 and name CB) (resid 137 and name CG) 1.0 -60.0 30.0 2
assi (resid 141 and name N ) (resid 141 and name CA)
(resid 141 and name CB) (resid 141 and name CG) 1.0 180.0 30.0 2
assi (resid 142 and name N ) (resid 142 and name CA)
(resid 142 and name CB) (resid 142 and name CG1) 1.0 -60.0 30.0 2
assi (resid 150 and name N ) (resid 150 and name CA)
(resid 150 and name CB) (resid 150 and name CG) 1.0 180.0 30.0 2
assi (resid 152 and name N ) (resid 152 and name CA)
(resid 152 and name CB) (resid 152 and name CG1) 1.0 180.0 30.0 2
assi (resid 153 and name N ) (resid 153 and name CA)
(resid 153 and name CB) (resid 153 and name CG) 1.0 -60.0 30.0 2
assi (resid 160 and name N ) (resid 160 and name CA)
(resid 160 and name CB) (resid 160 and name CG1) 1.0 180.0 30.0 2
assi (resid 163 and name N ) (resid 163 and name CA)
(resid 163 and name CB) (resid 163 and name CG1) 1.0 -60.0 30.0 2
assi (resid 165 and name N ) (resid 165 and name CA)
(resid 165 and name CB) (resid 165 and name CG) 1.0 180.0 30.0 2
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