Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
577876 | 2mh6 RC | 19620 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
!TORSION ANGLE CONSTRAINTS
!torsion restraints on beta
assign (segid A and resid 2 and name p ) (segid A and resid 2 and name o5')
(segid A and resid 2 and name c5') (segid A and resid 2 and name c4') 1.0 180.0 30.0 2
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 B and resid 10 and name p ) (segid B and resid 10 and name o5')
(segid B and resid 10 and name c5') (segid B and resid 10 and name c4') 1.0 180.0 30.0 2
assign (segid B and resid 11 and name p ) (segid B and resid 11 and name o5')
(segid B and resid 11 and name c5') (segid B and resid 11 and name c4') 1.0 180.0 30.0 2
assign (segid B and resid 12 and name p ) (segid B and resid 12 and name o5')
(segid B and resid 12 and name c5') (segid B and resid 12 and name c4') 1.0 180.0 30.0 2
assign (segid B and resid 13 and name p ) (segid B and resid 13 and name o5')
(segid B and resid 13 and name c5') (segid B and resid 13 and name c4') 1.0 180.0 30.0 2
assign (segid B and resid 14 and name p ) (segid B and resid 14 and name o5')
(segid B and resid 14 and name c5') (segid B and resid 14 and name c4') 1.0 180.0 30.0 2
assign (segid B and resid 15 and name p ) (segid B and resid 15 and name o5')
(segid B and resid 15 and name c5') (segid B and resid 15 and name c4') 1.0 180.0 30.0 2
assign (segid B and resid 16 and name p ) (segid B and resid 16 and name o5')
(segid B and resid 16 and name c5') (segid B and resid 16 and name c4') 1.0 180.0 30.0 2
!torsion constraints on gamma
assign (segid A and resid 1 and name o5') (segid A and resid 1 and name c5')
(segid A and resid 1 and name c4') (segid A and resid 1 and name c3') 1.0 60.0 20.0 2
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 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
assign (segid B and resid 10 and name o5') (segid B and resid 10 and name c5')
(segid B and resid 10 and name c4') (segid B and resid 10 and name c3') 1.0 60.0 20.0 2
assign (segid B and resid 11 and name o5') (segid B and resid 11 and name c5')
(segid B and resid 11 and name c4') (segid B and resid 11 and name c3') 1.0 60.0 20.0 2
assign (segid B and resid 12 and name o5') (segid B and resid 12 and name c5')
(segid B and resid 12 and name c4') (segid B and resid 12 and name c3') 1.0 60.0 20.0 2
assign (segid B and resid 13 and name o5') (segid B and resid 13 and name c5')
(segid B and resid 13 and name c4') (segid B and resid 13 and name c3') 1.0 60.0 20.0 2
assign (segid B and resid 14 and name o5') (segid B and resid 14 and name c5')
(segid B and resid 14 and name c4') (segid B and resid 14 and name c3') 1.0 60.0 80.0 2
assign (segid B and resid 14 and name o5') (segid B and resid 14 and name c5')
(segid B and resid 14 and name c4') (segid B and resid 14 and name c3') 1.0 240.0 140.0 2
assign (segid B and resid 15 and name o5') (segid B and resid 15 and name c5')
(segid B and resid 15 and name c4') (segid B and resid 15 and name c3') 1.0 60.0 20.0 2
assign (segid B and resid 16 and name o5') (segid B and resid 16 and name c5')
(segid B and resid 16 and name c4') (segid B and resid 16 and name c3') 1.0 60.0 20.0 2
!torsion restraints on epsilon
assign (segid A and resid 1 and name c4') (segid A and resid 1 and name c3')
(segid A and resid 1 and name o3') (segid A and resid 2 and name p ) 1.0 170.0 50.0 2
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 ) 1.0 170.0 50.0 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 ) 1.0 170.0 50.0 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 ) 1.0 170.0 50.0 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 ) 1.0 170.0 50.0 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 ) 1.0 170.0 50.0 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 ) 1.0 170.0 50.0 2
assign (segid B and resid 9 and name c4') (segid B and resid 9 and name c3')
(segid B and resid 9 and name o3') (segid B and resid 10 and name p ) 1.0 170.0 50.0 2
assign (segid B and resid 10 and name c4') (segid B and resid 10 and name c3')
(segid B and resid 10 and name o3') (segid B and resid 11 and name p ) 1.0 170.0 50.0 2
assign (segid B and resid 11 and name c4') (segid B and resid 11 and name c3')
(segid B and resid 11 and name o3') (segid B and resid 12 and name p ) 1.0 170.0 50.0 2
assign (segid B and resid 12 and name c4') (segid B and resid 12 and name c3')
(segid B and resid 12 and name o3') (segid B and resid 13 and name p ) 1.0 170.0 50.0 2
assign (segid B and resid 13 and name c4') (segid B and resid 13 and name c3')
(segid B and resid 13 and name o3') (segid B and resid 14 and name p ) 1.0 170.0 50.0 2
assign (segid B and resid 14 and name c4') (segid B and resid 14 and name c3')
(segid B and resid 14 and name o3') (segid B and resid 15 and name p ) 1.0 170.0 50.0 2
assign (segid B and resid 15 and name c4') (segid B and resid 15 and name c3')
(segid B and resid 15 and name o3') (segid B and resid 16 and name p ) 1.0 170.0 50.0 2
!constraints on sugar v0, v1, v2, v3 and v4 torsion angles between P = 126-198 deg.
!calculated from this formula: vj = vmax*cos(P+(j-2)*144), and vmax=37
!v0
assign (segid A and resid 1 and name c4') (segid A and resid 1 and name o4')
(segid A and resid 1 and name c1') (segid A and resid 1 and name c2') 2.0 -17.6 17.6 2
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 -17.6 17.6 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 -17.6 17.6 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 -17.6 17.6 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 -17.6 17.6 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 -17.6 17.6 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 -17.6 17.6 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 -17.6 17.6 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 -17.6 17.6 2
assign (segid B and resid 10 and name c4') (segid B and resid 10 and name o4')
(segid B and resid 10 and name c1') (segid B and resid 10 and name c2') 2.0 -17.6 17.6 2
assign (segid B and resid 11 and name c4') (segid B and resid 11 and name o4')
(segid B and resid 11 and name c1') (segid B and resid 11 and name c2') 2.0 -17.6 17.6 2
assign (segid B and resid 12 and name c4') (segid B and resid 12 and name o4')
(segid B and resid 12 and name c1') (segid B and resid 12 and name c2') 2.0 -17.6 17.6 2
assign (segid B and resid 13 and name c4') (segid B and resid 13 and name o4')
(segid B and resid 13 and name c1') (segid B and resid 13 and name c2') 2.0 -17.6 17.6 2
assign (segid B and resid 14 and name c4') (segid B and resid 14 and name o4')
(segid B and resid 14 and name c1') (segid B and resid 14 and name c2') 2.0 -17.6 17.6 2
assign (segid B and resid 15 and name c4') (segid B and resid 15 and name o4')
(segid B and resid 15 and name c1') (segid B and resid 15 and name c2') 2.0 -17.6 17.6 2
assign (segid B and resid 16 and name c4') (segid B and resid 16 and name o4')
(segid B and resid 16 and name c1') (segid B and resid 16 and name c2') 2.0 -17.6 17.6 2
!v1
assign (segid A and resid 1 and name o4') (segid A and resid 1 and name c1')
(segid A and resid 1 and name c2') (segid A and resid 1 and name c3') 2.0 29.4 7.6 2
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 29.4 7.6 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 29.4 7.6 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 29.4 7.6 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 29.4 7.6 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 29.4 7.6 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 29.4 7.6 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 29.4 7.6 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 29.4 7.6 2
assign (segid B and resid 10 and name o4') (segid B and resid 10 and name c1')
(segid B and resid 10 and name c2') (segid B and resid 10 and name c3') 2.0 29.4 7.6 2
assign (segid B and resid 11 and name o4') (segid B and resid 11 and name c1')
(segid B and resid 11 and name c2') (segid B and resid 11 and name c3') 2.0 29.4 7.6 2
assign (segid B and resid 12 and name o4') (segid B and resid 12 and name c1')
(segid B and resid 12 and name c2') (segid B and resid 12 and name c3') 2.0 29.4 7.6 2
assign (segid B and resid 13 and name o4') (segid B and resid 13 and name c1')
(segid B and resid 13 and name c2') (segid B and resid 13 and name c3') 2.0 29.4 7.6 2
assign (segid B and resid 14 and name o4') (segid B and resid 14 and name c1')
(segid B and resid 14 and name c2') (segid B and resid 14 and name c3') 2.0 29.4 7.6 2
assign (segid B and resid 15 and name o4') (segid B and resid 15 and name c1')
(segid B and resid 15 and name c2') (segid B and resid 15 and name c3') 2.0 29.4 7.6 2
assign (segid B and resid 16 and name o4') (segid B and resid 16 and name c1')
(segid B and resid 16 and name c2') (segid B and resid 16 and name c3') 2.0 29.4 7.6 2
!v2
assign (segid A and resid 1 and name c1') (segid A and resid 1 and name c2')
(segid A and resid 1 and name c3') (segid A and resid 1 and name c4') 2.0 -24.2 12.8 2
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 -24.2 12.8 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 -24.2 12.8 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 -24.2 12.8 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 -24.2 12.8 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 -24.2 12.8 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 -24.2 12.8 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 -24.2 12.8 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 -24.2 12.8 2
assign (segid B and resid 10 and name c1') (segid B and resid 10 and name c2')
(segid B and resid 10 and name c3') (segid B and resid 10 and name c4') 2.0 -24.2 12.8 2
assign (segid B and resid 11 and name c1') (segid B and resid 11 and name c2')
(segid B and resid 11 and name c3') (segid B and resid 11 and name c4') 2.0 -24.2 12.8 2
assign (segid B and resid 12 and name c1') (segid B and resid 12 and name c2')
(segid B and resid 12 and name c3') (segid B and resid 12 and name c4') 2.0 -24.2 12.8 2
assign (segid B and resid 13 and name c1') (segid B and resid 13 and name c2')
(segid B and resid 13 and name c3') (segid B and resid 13 and name c4') 2.0 -24.2 12.8 2
assign (segid B and resid 14 and name c1') (segid B and resid 14 and name c2')
(segid B and resid 14 and name c3') (segid B and resid 14 and name c4') 2.0 -24.2 12.8 2
assign (segid B and resid 15 and name c1') (segid B and resid 15 and name c2')
(segid B and resid 15 and name c3') (segid B and resid 15 and name c4') 2.0 -24.2 12.8 2
assign (segid B and resid 16 and name c1') (segid B and resid 16 and name c2')
(segid B and resid 16 and name c3') (segid B and resid 16 and name c4') 2.0 -24.2 12.8 2
!v3
assign (segid A and resid 1 and name c2') (segid A and resid 1 and name c3')
(segid A and resid 1 and name c4') (segid A and resid 1 and name o4') 2.0 17.6 17.6 2
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 17.6 17.6 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 17.6 17.6 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 17.6 17.6 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 17.6 17.6 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 17.6 17.6 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 17.6 17.6 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 17.6 17.6 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 17.6 17.6 2
assign (segid B and resid 10 and name c2') (segid B and resid 10 and name c3')
(segid B and resid 10 and name c4') (segid B and resid 10 and name o4') 2.0 17.6 17.6 2
assign (segid B and resid 11 and name c2') (segid B and resid 11 and name c3')
(segid B and resid 11 and name c4') (segid B and resid 11 and name o4') 2.0 17.6 17.6 2
assign (segid B and resid 12 and name c2') (segid B and resid 12 and name c3')
(segid B and resid 12 and name c4') (segid B and resid 12 and name o4') 2.0 17.6 17.6 2
assign (segid B and resid 13 and name c2') (segid B and resid 13 and name c3')
(segid B and resid 13 and name c4') (segid B and resid 13 and name o4') 2.0 17.6 17.6 2
assign (segid B and resid 14 and name c2') (segid B and resid 14 and name c3')
(segid B and resid 14 and name c4') (segid B and resid 14 and name o4') 2.0 17.6 17.6 2
assign (segid B and resid 15 and name c2') (segid B and resid 15 and name c3')
(segid B and resid 15 and name c4') (segid B and resid 15 and name o4') 2.0 17.6 17.6 2
assign (segid B and resid 16 and name c2') (segid B and resid 16 and name c3')
(segid B and resid 16 and name c4') (segid B and resid 16 and name o4') 2.0 17.6 17.6 2
!v4
assign (segid A and resid 1 and name c3') (segid A and resid 1 and name c4')
(segid A and resid 1 and name o4') (segid A and resid 1 and name c1') 2.0 0.0 21.7 2
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 0.0 21.7 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 0.0 21.7 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 0.0 21.7 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 0.0 21.7 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 0.0 21.7 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 0.0 21.7 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 0.0 21.7 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 0.0 21.7 2
assign (segid B and resid 10 and name c3') (segid B and resid 10 and name c4')
(segid B and resid 10 and name o4') (segid B and resid 10 and name c1') 2.0 0.0 21.7 2
assign (segid B and resid 11 and name c3') (segid B and resid 11 and name c4')
(segid B and resid 11 and name o4') (segid B and resid 11 and name c1') 2.0 0.0 21.7 2
assign (segid B and resid 12 and name c3') (segid B and resid 12 and name c4')
(segid B and resid 12 and name o4') (segid B and resid 12 and name c1') 2.0 0.0 21.7 2
assign (segid B and resid 13 and name c3') (segid B and resid 13 and name c4')
(segid B and resid 13 and name o4') (segid B and resid 13 and name c1') 2.0 0.0 21.7 2
assign (segid B and resid 14 and name c3') (segid B and resid 14 and name c4')
(segid B and resid 14 and name o4') (segid B and resid 14 and name c1') 2.0 0.0 21.7 2
assign (segid B and resid 15 and name c3') (segid B and resid 15 and name c4')
(segid B and resid 15 and name o4') (segid B and resid 15 and name c1') 2.0 0.0 21.7 2
assign (segid B and resid 16 and name c3') (segid B and resid 16 and name c4')
(segid B and resid 16 and name o4') (segid B and resid 16 and name c1') 2.0 0.0 21.7 2
!-----------------------------------------------------------------------------------------------