NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
8530 |
1me0   |
cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
!---------------------------------------------------------------------------
! constraints on TORSIONS = 94
!---------------------------------------------------------------------------
!torsion restraints on beta
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
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
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
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
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
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
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 40.0 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 40.0 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 40.0 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 40.0 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 40.0 2
!torsion constraints on gamma
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 60.0 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 30.0 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 30.0 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 30.0 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 40.0 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 40.0 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 40.0 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 40.0 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 30.0 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 30.0 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 30.0 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 30.0 2
!torsion restraints on epsilon
assign (resid 1 and name c4') (resid 1 and name c3')
(resid 1 and name o3') (resid 2 and name p ) 1.0 170.0 40.0 2
assign (resid 2 and name c4') (resid 2 and name c3')
(resid 2 and name o3') (resid 3 and name p ) 1.0 170.0 40.0 2
assign (resid 3 and name c4') (resid 3 and name c3')
(resid 3 and name o3') (resid 4 and name p ) 1.0 170.0 40.0 2
assign (resid 4 and name c4') (resid 4 and name c3')
(resid 4 and name o3') (resid 5 and name p ) 1.0 170.0 40.0 2
assign (resid 5 and name H2') (resid 5 and name c2')
(resid 5 and name o2') (resid 6 and name p ) 1.0 0.0 50.0 2
assign (resid 6 and name H2') (resid 6 and name c2')
(resid 6 and name o2') (resid 7 and name p ) 1.0 0.0 50.0 2
assign (resid 7 and name H2') (resid 7 and name c2')
(resid 7 and name o2') (resid 8 and name p ) 1.0 0.0 50.0 2
assign (resid 8 and name H2') (resid 8 and name c2')
(resid 8 and name o2') (resid 9 and name p ) 1.0 0.0 50.0 2
assign (resid 9 and name c4') (resid 9 and name c3')
(resid 9 and name o3') (resid 10 and name p ) 1.0 170.0 40.0 2
assign (resid 10 and name c4') (resid 10 and name c3')
(resid 10 and name o3') (resid 11 and name p ) 1.0 170.0 40.0 2
assign (resid 11 and name c4') (resid 11 and name c3')
(resid 11 and name o3') (resid 12 and name p ) 1.0 170.0 40.0 2
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