NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
619793 |
5tgg   |
30184 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
!torsion angle restraints
!beta
assign (segid A and resid 3 and name p ) (segid A and resid 3 and name o5')
(segid A and resid 3 and name c5') (segid A and resid 3 and name c4') 1.0 180.0 30.0 2
assign (segid A and resid 4 and name p ) (segid A and resid 4 and name o5')
(segid A and resid 4 and name c5') (segid A and resid 4 and name c4') 1.0 180.0 30.0 2
assign (segid A and resid 5 and name p ) (segid A and resid 5 and name o5')
(segid A and resid 5 and name c5') (segid A and resid 5 and name c4') 1.0 180.0 30.0 2
assign (segid A and resid 6 and name p ) (segid A and resid 6 and name o5')
(segid A and resid 6 and name c5') (segid A and resid 6 and name c4') 1.0 180.0 40.0 2
assign (segid A and resid 7 and name p ) (segid A and resid 7 and name o5')
(segid A and resid 7 and name c5') (segid A and resid 7 and name c4') 1.0 180.0 30.0 2
assign (segid A and resid 8 and name p ) (segid A and resid 8 and name o5')
(segid A and resid 8 and name c5') (segid A and resid 8 and name c4') 1.0 180.0 30.0 2
assign (segid A and resid 9 and name p ) (segid A and resid 9 and name o5')
(segid A and resid 9 and name c5') (segid A and resid 9 and name c4') 1.0 180.0 30.0 2
assign (segid B and resid 3 and name p ) (segid B and resid 3 and name o5')
(segid B and resid 3 and name c5') (segid B and resid 3 and name c4') 1.0 180.0 30.0 2
assign (segid B and resid 4 and name p ) (segid B and resid 4 and name o5')
(segid B and resid 4 and name c5') (segid B and resid 4 and name c4') 1.0 180.0 30.0 2
assign (segid B and resid 5 and name p ) (segid B and resid 5 and name o5')
(segid B and resid 5 and name c5') (segid B and resid 5 and name c4') 1.0 180.0 30.0 2
assign (segid B and resid 6 and name p ) (segid B and resid 6 and name o5')
(segid B and resid 6 and name c5') (segid B and resid 6 and name c4') 1.0 180.0 40.0 2
assign (segid B and resid 7 and name p ) (segid B and resid 7 and name o5')
(segid B and resid 7 and name c5') (segid B and resid 7 and name c4') 1.0 180.0 30.0 2
assign (segid B and resid 8 and name p ) (segid B and resid 8 and name o5')
(segid B and resid 8 and name c5') (segid B and resid 8 and name c4') 1.0 180.0 30.0 2
assign (segid B and resid 9 and name p ) (segid B and resid 9 and name o5')
(segid B and resid 9 and name c5') (segid B and resid 9 and name c4') 1.0 180.0 30.0 2
!gamma
assign (segid A and resid 2 and name o5') (segid A and resid 2 and name c5')
(segid A and resid 2 and name c4') (segid A and resid 2 and name c3') 1.0 60.0 20.0 2
assign (segid A and resid 3 and name o5') (segid A and resid 3 and name c5')
(segid A and resid 3 and name c4') (segid A and resid 3 and name c3') 1.0 60.0 20.0 2
assign (segid A and resid 4 and name o5') (segid A and resid 4 and name c5')
(segid A and resid 4 and name c4') (segid A and resid 4 and name c3') 1.0 60.0 20.0 2
assign (segid A and resid 5 and name o5') (segid A and resid 5 and name c5')
(segid A and resid 5 and name c4') (segid A and resid 5 and name c3') 1.0 60.0 20.0 2
assign (segid A and resid 6 and name o5') (segid A and resid 6 and name c5')
(segid A and resid 6 and name c4') (segid A and resid 6 and name c3') 1.0 60.0 20.0 2
assign (segid A and resid 7 and name o5') (segid A and resid 7 and name c5')
(segid A and resid 7 and name c4') (segid A and resid 7 and name c3') 1.0 60.0 20.0 2
assign (segid A and resid 8 and name o5') (segid A and resid 8 and name c5')
(segid A and resid 8 and name c4') (segid A and resid 8 and name c3') 1.0 60.0 20.0 2
assign (segid A and resid 9 and name o5') (segid A and resid 9 and name c5')
(segid A and resid 9 and name c4') (segid A and resid 9 and name c3') 1.0 60.0 20.0 2
assign (segid B and resid 2 and name o5') (segid B and resid 2 and name c5')
(segid B and resid 2 and name c4') (segid B and resid 2 and name c3') 1.0 60.0 20.0 2
assign (segid B and resid 3 and name o5') (segid B and resid 3 and name c5')
(segid B and resid 3 and name c4') (segid B and resid 3 and name c3') 1.0 60.0 20.0 2
assign (segid B and resid 4 and name o5') (segid B and resid 4 and name c5')
(segid B and resid 4 and name c4') (segid B and resid 4 and name c3') 1.0 60.0 20.0 2
assign (segid B and resid 5 and name o5') (segid B and resid 5 and name c5')
(segid B and resid 5 and name c4') (segid B and resid 5 and name c3') 1.0 60.0 20.0 2
assign (segid B and resid 6 and name o5') (segid B and resid 6 and name c5')
(segid B and resid 6 and name c4') (segid B and resid 6 and name c3') 1.0 60.0 20.0 2
assign (segid B and resid 7 and name o5') (segid B and resid 7 and name c5')
(segid B and resid 7 and name c4') (segid B and resid 7 and name c3') 1.0 60.0 20.0 2
assign (segid B and resid 8 and name o5') (segid B and resid 8 and name c5')
(segid B and resid 8 and name c4') (segid B and resid 8 and name c3') 1.0 60.0 20.0 2
assign (segid B and resid 9 and name o5') (segid B and resid 9 and name c5')
(segid B and resid 9 and name c4') (segid B and resid 9 and name c3') 1.0 60.0 20.0 2
!epsilon
assign (segid A and resid 2 and name c4') (segid A and resid 2 and name c3')
(segid A and resid 2 and name o3') (segid A and resid 3 and name p ) 1.0 -140.0 40.0 2
assign (segid A and resid 3 and name c4') (segid A and resid 3 and name c3')
(segid A and resid 3 and name o3') (segid A and resid 4 and name p ) 1.0 -140.0 40.0 2
assign (segid A and resid 4 and name c4') (segid A and resid 4 and name c3')
(segid A and resid 4 and name o3') (segid A and resid 5 and name p ) 1.0 -140.0 40.0 2
assign (segid A and resid 5 and name c4') (segid A and resid 5 and name c3')
(segid A and resid 5 and name o3') (segid A and resid 6 and name p ) 1.0 -140.0 40.0 2
assign (segid A and resid 6 and name c4') (segid A and resid 6 and name c3')
(segid A and resid 6 and name o3') (segid A and resid 7 and name p ) 1.0 -140.0 40.0 2
assign (segid A and resid 7 and name c4') (segid A and resid 7 and name c3')
(segid A and resid 7 and name o3') (segid A and resid 8 and name p ) 1.0 -140.0 40.0 2
assign (segid A and resid 8 and name c4') (segid A and resid 8 and name c3')
(segid A and resid 8 and name o3') (segid A and resid 9 and name p ) 1.0 -140.0 40.0 2
assign (segid B and resid 2 and name c4') (segid B and resid 2 and name c3')
(segid B and resid 2 and name o3') (segid B and resid 3 and name p ) 1.0 -140.0 40.0 2
assign (segid B and resid 3 and name c4') (segid B and resid 3 and name c3')
(segid B and resid 3 and name o3') (segid B and resid 4 and name p ) 1.0 -140.0 40.0 2
assign (segid B and resid 4 and name c4') (segid B and resid 4 and name c3')
(segid B and resid 4 and name o3') (segid B and resid 5 and name p ) 1.0 -140.0 40.0 2
assign (segid B and resid 5 and name c4') (segid B and resid 5 and name c3')
(segid B and resid 5 and name o3') (segid B and resid 6 and name p ) 1.0 -140.0 40.0 2
assign (segid B and resid 6 and name c4') (segid B and resid 6 and name c3')
(segid B and resid 6 and name o3') (segid B and resid 7 and name p ) 1.0 -140.0 40.0 2
assign (segid B and resid 7 and name c4') (segid B and resid 7 and name c3')
(segid B and resid 7 and name o3') (segid B and resid 8 and name p ) 1.0 -140.0 40.0 2
assign (segid B and resid 8 and name c4') (segid B and resid 8 and name c3')
(segid B and resid 8 and name o3') (segid B and resid 9 and name p ) 1.0 -140.0 40.0 2
!constraints on sugar v0, v1, v2, v3 and v4 torsion angles between P = 0-36 deg.
!calculated from formula: vj = vmax*cos(P+(j-2)*144),
!v0
assign (segid A and resid 2 and name c4') (segid A and resid 2 and name o4')
(segid A and resid 2 and name c1') (segid A and resid 2 and name c2') 2.0 0 11.4 2
assign (segid A and resid 3 and name c4') (segid A and resid 3 and name o4')
(segid A and resid 3 and name c1') (segid A and resid 3 and name c2') 2.0 0 11.4 2
assign (segid A and resid 4 and name c4') (segid A and resid 4 and name o4')
(segid A and resid 4 and name c1') (segid A and resid 4 and name c2') 2.0 0 11.4 2
assign (segid A and resid 5 and name c4') (segid A and resid 5 and name o4')
(segid A and resid 5 and name c1') (segid A and resid 5 and name c2') 2.0 0 11.4 2
assign (segid A and resid 6 and name c4') (segid A and resid 6 and name o4')
(segid A and resid 6 and name c1') (segid A and resid 6 and name c2') 2.0 0 11.4 2
assign (segid A and resid 7 and name c4') (segid A and resid 7 and name o4')
(segid A and resid 7 and name c1') (segid A and resid 7 and name c2') 2.0 0 11.4 2
assign (segid A and resid 8 and name c4') (segid A and resid 8 and name o4')
(segid A and resid 8 and name c1') (segid A and resid 8 and name c2') 2.0 0 11.4 2
assign (segid A and resid 9 and name c4') (segid A and resid 9 and name o4')
(segid A and resid 9 and name c1') (segid A and resid 9 and name c2') 2.0 0 11.4 2
assign (segid B and resid 2 and name c4') (segid B and resid 2 and name o4')
(segid B and resid 2 and name c1') (segid B and resid 2 and name c2') 2.0 0 11.4 2
assign (segid B and resid 3 and name c4') (segid B and resid 3 and name o4')
(segid B and resid 3 and name c1') (segid B and resid 3 and name c2') 2.0 0 11.4 2
assign (segid B and resid 4 and name c4') (segid B and resid 4 and name o4')
(segid B and resid 4 and name c1') (segid B and resid 4 and name c2') 2.0 0 11.4 2
assign (segid B and resid 5 and name c4') (segid B and resid 5 and name o4')
(segid B and resid 5 and name c1') (segid B and resid 5 and name c2') 2.0 0 11.4 2
assign (segid B and resid 6 and name c4') (segid B and resid 6 and name o4')
(segid B and resid 6 and name c1') (segid B and resid 6 and name c2') 2.0 0 11.4 2
assign (segid B and resid 7 and name c4') (segid B and resid 7 and name o4')
(segid B and resid 7 and name c1') (segid B and resid 7 and name c2') 2.0 0 11.4 2
assign (segid B and resid 8 and name c4') (segid B and resid 8 and name o4')
(segid B and resid 8 and name c1') (segid B and resid 8 and name c2') 2.0 0 11.4 2
assign (segid B and resid 9 and name c4') (segid B and resid 9 and name o4')
(segid B and resid 9 and name c1') (segid B and resid 9 and name c2') 2.0 0 11.4 2
!v1
assign (segid A and resid 2 and name o4') (segid A and resid 2 and name c1')
(segid A and resid 2 and name c2') (segid A and resid 2 and name c3') 2.0 -20.7 9.3 2
assign (segid A and resid 3 and name o4') (segid A and resid 3 and name c1')
(segid A and resid 3 and name c2') (segid A and resid 3 and name c3') 2.0 -20.7 9.3 2
assign (segid A and resid 4 and name o4') (segid A and resid 4 and name c1')
(segid A and resid 4 and name c2') (segid A and resid 4 and name c3') 2.0 -20.7 9.3 2
assign (segid A and resid 5 and name o4') (segid A and resid 5 and name c1')
(segid A and resid 5 and name c2') (segid A and resid 5 and name c3') 2.0 -20.7 9.3 2
assign (segid A and resid 6 and name o4') (segid A and resid 6 and name c1')
(segid A and resid 6 and name c2') (segid A and resid 6 and name c3') 2.0 -20.7 9.3 2
assign (segid A and resid 7 and name o4') (segid A and resid 7 and name c1')
(segid A and resid 7 and name c2') (segid A and resid 7 and name c3') 2.0 -20.7 9.3 2
assign (segid A and resid 8 and name o4') (segid A and resid 8 and name c1')
(segid A and resid 8 and name c2') (segid A and resid 8 and name c3') 2.0 -20.7 9.3 2
assign (segid A and resid 9 and name o4') (segid A and resid 9 and name c1')
(segid A and resid 9 and name c2') (segid A and resid 9 and name c3') 2.0 -20.7 9.3 2
assign (segid B and resid 2 and name o4') (segid B and resid 2 and name c1')
(segid B and resid 2 and name c2') (segid B and resid 2 and name c3') 2.0 -20.7 9.3 2
assign (segid B and resid 3 and name o4') (segid B and resid 3 and name c1')
(segid B and resid 3 and name c2') (segid B and resid 3 and name c3') 2.0 -20.7 9.3 2
assign (segid B and resid 4 and name o4') (segid B and resid 4 and name c1')
(segid B and resid 4 and name c2') (segid B and resid 4 and name c3') 2.0 -20.7 9.3 2
assign (segid B and resid 5 and name o4') (segid B and resid 5 and name c1')
(segid B and resid 5 and name c2') (segid B and resid 5 and name c3') 2.0 -20.7 9.3 2
assign (segid B and resid 6 and name o4') (segid B and resid 6 and name c1')
(segid B and resid 6 and name c2') (segid B and resid 6 and name c3') 2.0 -20.7 9.3 2
assign (segid B and resid 7 and name o4') (segid B and resid 7 and name c1')
(segid B and resid 7 and name c2') (segid B and resid 7 and name c3') 2.0 -20.7 9.3 2
assign (segid B and resid 8 and name o4') (segid B and resid 8 and name c1')
(segid B and resid 8 and name c2') (segid B and resid 8 and name c3') 2.0 -20.7 9.3 2
assign (segid B and resid 9 and name o4') (segid B and resid 9 and name c1')
(segid B and resid 9 and name c2') (segid B and resid 9 and name c3') 2.0 -20.7 9.3 2
!v2
assign (segid A and resid 2 and name c1') (segid A and resid 2 and name c2')
(segid A and resid 2 and name c3') (segid A and resid 2 and name c4') 2.0 33.5 3.6 2
assign (segid A and resid 3 and name c1') (segid A and resid 3 and name c2')
(segid A and resid 3 and name c3') (segid A and resid 3 and name c4') 2.0 33.5 3.6 2
assign (segid A and resid 4 and name c1') (segid A and resid 4 and name c2')
(segid A and resid 4 and name c3') (segid A and resid 4 and name c4') 2.0 33.5 3.6 2
assign (segid A and resid 5 and name c1') (segid A and resid 5 and name c2')
(segid A and resid 5 and name c3') (segid A and resid 5 and name c4') 2.0 33.5 3.6 2
assign (segid A and resid 6 and name c1') (segid A and resid 6 and name c2')
(segid A and resid 6 and name c3') (segid A and resid 6 and name c4') 2.0 33.5 3.6 2
assign (segid A and resid 7 and name c1') (segid A and resid 7 and name c2')
(segid A and resid 7 and name c3') (segid A and resid 7 and name c4') 2.0 33.5 3.6 2
assign (segid A and resid 8 and name c1') (segid A and resid 8 and name c2')
(segid A and resid 8 and name c3') (segid A and resid 8 and name c4') 2.0 33.5 3.6 2
assign (segid A and resid 9 and name c1') (segid A and resid 9 and name c2')
(segid A and resid 9 and name c3') (segid A and resid 9 and name c4') 2.0 33.5 3.6 2
assign (segid B and resid 2 and name c1') (segid B and resid 2 and name c2')
(segid B and resid 2 and name c3') (segid B and resid 2 and name c4') 2.0 33.5 3.6 2
assign (segid B and resid 3 and name c1') (segid B and resid 3 and name c2')
(segid B and resid 3 and name c3') (segid B and resid 3 and name c4') 2.0 33.5 3.6 2
assign (segid B and resid 4 and name c1') (segid B and resid 4 and name c2')
(segid B and resid 4 and name c3') (segid B and resid 4 and name c4') 2.0 33.5 3.6 2
assign (segid B and resid 5 and name c1') (segid B and resid 5 and name c2')
(segid B and resid 5 and name c3') (segid B and resid 5 and name c4') 2.0 33.5 3.6 2
assign (segid B and resid 6 and name c1') (segid B and resid 6 and name c2')
(segid B and resid 6 and name c3') (segid B and resid 6 and name c4') 2.0 33.5 3.6 2
assign (segid B and resid 7 and name c1') (segid B and resid 7 and name c2')
(segid B and resid 7 and name c3') (segid B and resid 7 and name c4') 2.0 33.5 3.6 2
assign (segid B and resid 8 and name c1') (segid B and resid 8 and name c2')
(segid B and resid 8 and name c3') (segid B and resid 8 and name c4') 2.0 33.5 3.6 2
assign (segid B and resid 9 and name c1') (segid B and resid 9 and name c2')
(segid B and resid 9 and name c3') (segid B and resid 9 and name c4') 2.0 33.5 3.6 2
!v3
assign (segid A and resid 2 and name c2') (segid A and resid 2 and name c3')
(segid A and resid 2 and name c4') (segid A and resid 2 and name o4') 2.0 -33.5 3.6 2
assign (segid A and resid 3 and name c2') (segid A and resid 3 and name c3')
(segid A and resid 3 and name c4') (segid A and resid 3 and name o4') 2.0 -33.5 3.6 2
assign (segid A and resid 4 and name c2') (segid A and resid 4 and name c3')
(segid A and resid 4 and name c4') (segid A and resid 4 and name o4') 2.0 -33.5 3.6 2
assign (segid A and resid 5 and name c2') (segid A and resid 5 and name c3')
(segid A and resid 5 and name c4') (segid A and resid 5 and name o4') 2.0 -33.5 3.6 2
assign (segid A and resid 6 and name c2') (segid A and resid 6 and name c3')
(segid A and resid 6 and name c4') (segid A and resid 6 and name o4') 2.0 -33.5 3.6 2
assign (segid A and resid 7 and name c2') (segid A and resid 7 and name c3')
(segid A and resid 7 and name c4') (segid A and resid 7 and name o4') 2.0 -33.5 3.6 2
assign (segid A and resid 8 and name c2') (segid A and resid 8 and name c3')
(segid A and resid 8 and name c4') (segid A and resid 8 and name o4') 2.0 -33.5 3.6 2
assign (segid A and resid 9 and name c2') (segid A and resid 9 and name c3')
(segid A and resid 9 and name c4') (segid A and resid 9 and name o4') 2.0 -33.5 3.6 2
assign (segid B and resid 2 and name c2') (segid B and resid 2 and name c3')
(segid B and resid 2 and name c4') (segid B and resid 2 and name o4') 2.0 -33.5 3.6 2
assign (segid B and resid 3 and name c2') (segid B and resid 3 and name c3')
(segid B and resid 3 and name c4') (segid B and resid 3 and name o4') 2.0 -33.5 3.6 2
assign (segid B and resid 4 and name c2') (segid B and resid 4 and name c3')
(segid B and resid 4 and name c4') (segid B and resid 4 and name o4') 2.0 -33.5 3.6 2
assign (segid B and resid 5 and name c2') (segid B and resid 5 and name c3')
(segid B and resid 5 and name c4') (segid B and resid 5 and name o4') 2.0 -33.5 3.6 2
assign (segid B and resid 6 and name c2') (segid B and resid 6 and name c3')
(segid B and resid 6 and name c4') (segid B and resid 6 and name o4') 2.0 -33.5 3.6 2
assign (segid B and resid 7 and name c2') (segid B and resid 7 and name c3')
(segid B and resid 7 and name c4') (segid B and resid 7 and name o4') 2.0 -33.5 3.6 2
assign (segid B and resid 8 and name c2') (segid B and resid 8 and name c3')
(segid B and resid 8 and name c4') (segid B and resid 8 and name o4') 2.0 -33.5 3.6 2
assign (segid B and resid 9 and name c2') (segid B and resid 9 and name c3')
(segid B and resid 9 and name c4') (segid B and resid 9 and name o4') 2.0 -33.5 3.6 2
!v4
assign (segid A and resid 2 and name c3') (segid A and resid 2 and name c4')
(segid A and resid 2 and name o4') (segid A and resid 2 and name c1') 2.0 20.7 9.3 2
assign (segid A and resid 3 and name c3') (segid A and resid 3 and name c4')
(segid A and resid 3 and name o4') (segid A and resid 3 and name c1') 2.0 20.7 9.3 2
assign (segid A and resid 4 and name c3') (segid A and resid 4 and name c4')
(segid A and resid 4 and name o4') (segid A and resid 4 and name c1') 2.0 20.7 9.3 2
assign (segid A and resid 5 and name c3') (segid A and resid 5 and name c4')
(segid A and resid 5 and name o4') (segid A and resid 5 and name c1') 2.0 20.7 9.3 2
assign (segid A and resid 6 and name c3') (segid A and resid 6 and name c4')
(segid A and resid 6 and name o4') (segid A and resid 6 and name c1') 2.0 20.7 9.3 2
assign (segid A and resid 7 and name c3') (segid A and resid 7 and name c4')
(segid A and resid 7 and name o4') (segid A and resid 7 and name c1') 2.0 20.7 9.3 2
assign (segid A and resid 8 and name c3') (segid A and resid 8 and name c4')
(segid A and resid 8 and name o4') (segid A and resid 8 and name c1') 2.0 20.7 9.3 2
assign (segid A and resid 9 and name c3') (segid A and resid 9 and name c4')
(segid A and resid 9 and name o4') (segid A and resid 9 and name c1') 2.0 20.7 9.3 2
assign (segid B and resid 2 and name c3') (segid B and resid 2 and name c4')
(segid B and resid 2 and name o4') (segid B and resid 2 and name c1') 2.0 20.7 9.3 2
assign (segid B and resid 3 and name c3') (segid B and resid 3 and name c4')
(segid B and resid 3 and name o4') (segid B and resid 3 and name c1') 2.0 20.7 9.3 2
assign (segid B and resid 4 and name c3') (segid B and resid 4 and name c4')
(segid B and resid 4 and name o4') (segid B and resid 4 and name c1') 2.0 20.7 9.3 2
assign (segid B and resid 5 and name c3') (segid B and resid 5 and name c4')
(segid B and resid 5 and name o4') (segid B and resid 5 and name c1') 2.0 20.7 9.3 2
assign (segid B and resid 6 and name c3') (segid B and resid 6 and name c4')
(segid B and resid 6 and name o4') (segid B and resid 6 and name c1') 2.0 20.7 9.3 2
assign (segid B and resid 7 and name c3') (segid B and resid 7 and name c4')
(segid B and resid 7 and name o4') (segid B and resid 7 and name c1') 2.0 20.7 9.3 2
assign (segid B and resid 8 and name c3') (segid B and resid 8 and name c4')
(segid B and resid 8 and name o4') (segid B and resid 8 and name c1') 2.0 20.7 9.3 2
assign (segid B and resid 9 and name c3') (segid B and resid 9 and name c4')
(segid B and resid 9 and name o4') (segid B and resid 9 and name c1') 2.0 20.7 9.3 2
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