Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
588989 | 2mn0 RC | 19873 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
!restraints on beta in A-helix
!-----------------------------
!assign (resid 1 and name P)
! (resid 1 and name O5')
! (resid 1 and name C5')
! (resid 1 and name C4')
! 1.000 178.000 20.000 2
assign (resid 2 and name P)
(resid 2 and name O5')
(resid 2 and name C5')
(resid 2 and name C4')
1.000 178.000 20.000 2
assign (resid 3 and name P)
(resid 3 and name O5')
(resid 3 and name C5')
(resid 3 and name C4')
1.000 178.000 20.000 2
assign (resid 4 and name P)
(resid 4 and name O5')
(resid 4 and name C5')
(resid 4 and name C4')
1.000 178.000 20.000 2
assign (resid 12 and name P)
(resid 12 and name O5')
(resid 12 and name C5')
(resid 12 and name C4')
1.000 178.000 20.000 2
assign (resid 13 and name P)
(resid 13 and name O5')
(resid 13 and name C5')
(resid 13 and name C4')
1.000 178.000 20.000 2
assign (resid 14 and name P)
(resid 14 and name O5')
(resid 14 and name C5')
(resid 14 and name C4')
1.000 178.000 20.000 2
assign (resid 15 and name P)
(resid 15 and name O5')
(resid 15 and name C5')
(resid 15 and name C4')
1.000 178.000 20.000 2
!restraints on epsilon
!---------------------
assign (resid 1 and name C4')
(resid 1 and name C3')
(resid 1 and name O3')
(resid 2 and name P)
1.000 225 60.0 2
assign (resid 2 and name C4')
(resid 2 and name C3')
(resid 2 and name O3')
(resid 3 and name P)
1.000 225 60.0 2
assign (resid 3 and name C4')
(resid 3 and name C3')
(resid 3 and name O3')
(resid 4 and name P)
1.000 225 60.0 2
assign (resid 4 and name C4')
(resid 4 and name C3')
(resid 4 and name O3')
(resid 5 and name P)
1.000 225 60.0 2
assign (resid 12 and name C4')
(resid 12 and name C3')
(resid 12 and name O3')
(resid 13 and name P)
1.000 225 60.0 2
assign (resid 13 and name C4')
(resid 13 and name C3')
(resid 13 and name O3')
(resid 14 and name P)
1.000 225 60.0 2
!restraints on gamma in A-helix
!-----------------------------
assign (resid 1 and name O5')
(resid 1 and name C5')
(resid 1 and name C4')
(resid 1 and name C3')
1.000 54.000 20.000 2
assign (resid 2 and name O5')
(resid 2 and name C5')
(resid 2 and name C4')
(resid 2 and name C3')
1.000 54.000 20.000 2
assign (resid 3 and name O5')
(resid 3 and name C5')
(resid 3 and name C4')
(resid 3 and name C3')
1.000 54.000 20.000 2
assign (resid 4 and name O5')
(resid 4 and name C5')
(resid 4 and name C4')
(resid 4 and name C3')
1.000 54.000 20.000 2
assign (resid 12 and name O5')
(resid 12 and name C5')
(resid 12 and name C4')
(resid 12 and name C3')
1.000 54.000 20.000 2
assign (resid 13 and name O5')
(resid 13 and name C5')
(resid 13 and name C4')
(resid 13 and name C3')
1.000 54.000 20.000 2
assign (resid 14 and name O5')
(resid 14 and name C5')
(resid 14 and name C4')
(resid 14 and name C3')
1.000 54.000 20.000 2
assign (resid 15 and name O5')
(resid 15 and name C5')
(resid 15 and name C4')
(resid 15 and name C3')
1.000 54.000 20.000 2
!restraints on zeta in regular duplex
!------------------------------------
assign (resid 1 and name C3')
(resid 1 and name O3')
(resid 2 and name P)
(resid 2 and name O5')
1.000 0 120.0 2
assign (resid 2 and name C3')
(resid 2 and name O3')
(resid 3 and name P)
(resid 3 and name O5')
1.000 0 120.0 2
assign (resid 3 and name C3')
(resid 3 and name O3')
(resid 4 and name P)
(resid 4 and name O5')
1.000 0 120.0 2
assign (resid 4 and name C3')
(resid 4 and name O3')
(resid 5 and name P)
(resid 5 and name O5')
1.000 0 120.0 2
assign (resid 12 and name C3')
(resid 12 and name O3')
(resid 13 and name P)
(resid 13 and name O5')
1.000 0 120.0 2
assign (resid 13 and name C3')
(resid 13 and name O3')
(resid 14 and name P)
(resid 14 and name O5')
1.000 0 120.0 2
!restraints on residues with N-puckering
!--------------------------------------
assign (resid 1 and name H1')
(resid 1 and name C1')
(resid 1 and name C2')
(resid 1 and name H2')
1.000 99.2 10.0 2
assign (resid 1 and name H2')
(resid 1 and name C2')
(resid 1 and name C3')
(resid 1 and name H3')
1.000 39.4 10.0 2
assign (resid 1 and name H3')
(resid 1 and name C3')
(resid 1 and name C4')
(resid 1 and name H4')
1.000 -162.0 10.0 2
assign (resid 2 and name H1')
(resid 2 and name C1')
(resid 2 and name C2')
(resid 2 and name H2')
1.000 99.2 10.0 2
assign (resid 2 and name H2')
(resid 2 and name C2')
(resid 2 and name C3')
(resid 2 and name H3')
1.000 39.4 10.0 2
assign (resid 2 and name H3')
(resid 2 and name C3')
(resid 2 and name C4')
(resid 2 and name H4')
1.000 -162.0 10.0 2
assign (resid 3 and name H1')
(resid 3 and name C1')
(resid 3 and name C2')
(resid 3 and name H2')
1.000 99.2 10.0 2
assign (resid 3 and name H2')
(resid 3 and name C2')
(resid 3 and name C3')
(resid 3 and name H3')
1.000 39.4 10.0 2
assign (resid 3 and name H3')
(resid 3 and name C3')
(resid 3 and name C4')
(resid 3 and name H4')
1.000 -162.0 10.0 2
assign (resid 4 and name H1')
(resid 4 and name C1')
(resid 4 and name C2')
(resid 4 and name H2')
1.000 99.2 10.0 2
assign (resid 4 and name H2')
(resid 4 and name C2')
(resid 4 and name C3')
(resid 4 and name H3')
1.000 39.4 10.0 2
assign (resid 4 and name H3')
(resid 4 and name C3')
(resid 4 and name C4')
(resid 4 and name H4')
1.000 -162.0 10.0 2
assign (resid 12 and name H1')
(resid 12 and name C1')
(resid 12 and name C2')
(resid 12 and name H2')
1.000 99.2 10.0 2
assign (resid 12 and name H2')
(resid 12 and name C2')
(resid 12 and name C3')
(resid 12 and name H3')
1.000 39.4 10.0 2
assign (resid 12 and name H3')
(resid 12 and name C3')
(resid 12 and name C4')
(resid 12 and name H4')
1.000 -162.0 10.0 2
assign (resid 13 and name H1')
(resid 13 and name C1')
(resid 13 and name C2')
(resid 13 and name H2')
1.000 99.2 10.0 2
assign (resid 13 and name H2')
(resid 13 and name C2')
(resid 13 and name C3')
(resid 13 and name H3')
1.000 39.4 10.0 2
assign (resid 13 and name H3')
(resid 13 and name C3')
(resid 13 and name C4')
(resid 13 and name H4')
1.000 -162.0 10.0 2
assign (resid 14 and name H1')
(resid 14 and name C1')
(resid 14 and name C2')
(resid 14 and name H2')
1.000 99.2 10.0 2
assign (resid 14 and name H2')
(resid 14 and name C2')
(resid 14 and name C3')
(resid 14 and name H3')
1.000 39.4 10.0 2
assign (resid 14 and name H3')
(resid 14 and name C3')
(resid 14 and name C4')
(resid 14 and name H4')
1.000 -162.0 10.0 2
assign (resid 15 and name H1')
(resid 15 and name C1')
(resid 15 and name C2')
(resid 15 and name H2')
1.000 99.2 10.0 2
assign (resid 15 and name H2')
(resid 15 and name C2')
(resid 15 and name C3')
(resid 15 and name H3')
1.000 39.4 10.0 2
assign (resid 15 and name H3')
(resid 15 and name C3')
(resid 15 and name C4')
(resid 15 and name H4')
1.000 -162.0 10.0 2
!restraints on residues with S-puckering
!--------------------------------------
assign (resid 7 and name H1')
(resid 7 and name C1')
(resid 7 and name C2')
(resid 7 and name H2')
1.000 157.4 10.0 2
assign (resid 7 and name H2')
(resid 7 and name C2')
(resid 7 and name C3')
(resid 7 and name H3')
1.000 -34.6 10.0 2
assign (resid 7 and name H3')
(resid 7 and name C3')
(resid 7 and name C4')
(resid 7 and name H4')
1.000 -100.5 10.0 2
end
set message=on echo=on end
!assign (resid 10 and name H2) (resid 7 and name H1') 5 3.5 1 !very weak, removed
!assign (resid 5 and name N6) (resid 11 and name N1) 3 0.3 0.3 !possible hbond according to chimera, omitted
! removed nonnoe in during waterrefinement