Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
530793 | 2li9 RC | 17884 | cing | 1-original | 3 | XPLOR/CNS | dihedral angle |
!dihedral restraints
assign (resid 7 and segid A and name C) (resid 8 and segid A and name N)
(resid 8 and segid A and name CA) (resid 8 and segid A and name C) 1.0 -140.00 30.00 2 !8phi chainA
assign (resid 7 and segid B and name C) (resid 8 and segid B and name N)
(resid 8 and segid B and name CA) (resid 8 and segid B and name C) 1.0 -140.00 30.00 2 !8phi chainB
!impropers for Zn coordination taken from QM/MM calculations
assign (resid 6 and segid A and name Nd1) (resid 14 and segid B and name Ne2)
(resid 17 and name ZN) (resid 6 and segid B and name Nd1) 1.0 120.00 5.00 2
assign (resid 6 and segid B and name Nd1) (resid 14 and segid B and name Ne2)
(resid 17 and name ZN) (resid 14 and segid A and name Ne2) 1.0 120.00 5.00 2
assign (resid 14 and segid A and name Ne2) (resid 14 and segid B and name Ne2)
(resid 17 and name ZN) (resid 6 and segid A and name Nd1) 1.0 120.00 5.00 2
assign (resid 6 and segid B and name Nd1) (resid 14 and segid A and name Ne2)
(resid 17 and name ZN) (resid 6 and segid A and name Nd1) 1.0 120.00 5.00 2
assign (resid 6 and segid A and name Nd1) (resid 14 and segid A and name Ne2)
(resid 17 and name ZN) (resid 14 and segid B and name Ne2) 1.0 120.00 5.00 2
assign (resid 14 and segid A and name Ne2) (resid 14 and segid A and name Ne2)
(resid 17 and name ZN) (resid 6 and segid B and name Nd1) 1.0 120.00 5.00 2
assign (resid 14 and segid B and name Ne2) (resid 6 and segid A and name Nd1)
(resid 17 and name ZN) (resid 14 and segid A and name Ne2) 1.0 120.00 5.00 2
assign (resid 14 and segid A and name Ne2) (resid 6 and segid A and name Nd1)
(resid 17 and name ZN) (resid 6 and segid B and name Nd1) 1.0 120.00 5.00 2
assign (resid 6 and segid B and name Nd1) (resid 6 and segid A and name Nd1)
(resid 17 and name ZN) (resid 14 and segid B and name Ne2) 1.0 120.00 5.00 2
assign (resid 14 and segid B and name Ne2) (resid 6 and segid B and name Nd1)
(resid 17 and name ZN) (resid 6 and segid A and name Nd1) 1.0 120.00 5.00 2
assign (resid 6 and segid A and name Nd1) (resid 6 and segid B and name Nd1)
(resid 17 and name ZN) (resid 14 and segid A and name Ne2) 1.0 120.00 5.00 2
assign (resid 14 and segid A and name Ne2) (resid 6 and segid B and name Nd1)
(resid 17 and name ZN) (resid 14 and segid B and name Ne2) 1.0 120.00 5.00 2
assign (resid 17 and name ZN) (resid 6 and segid A and name Nd1)
(resid 6 and segid A and name Ce1) (resid 6 and segid A and name Ne2) 1.0 180.00 5.00 2
assign (resid 17 and name ZN) (resid 6 and segid A and name Nd1)
(resid 6 and segid A and name Cg) (resid 6 and segid A and name Cd2) 1.0 -180.00 5.00 2
assign (resid 17 and name ZN) (resid 14 and segid A and name Ne2)
(resid 14 and segid A and name Ce1) (resid 14 and segid A and name Nd1) 1.0 180.00 5.00 2
assign (resid 17 and name ZN) (resid 14 and segid A and name Ne2)
(resid 14 and segid A and name Cd2) (resid 14 and segid A and name Cg) 1.0 -180.00 5.00 2
assign (resid 17 and name ZN) (resid 6 and segid B and name Nd1)
(resid 6 and segid B and name Ce1) (resid 6 and segid B and name Ne2) 1.0 180.00 5.00 2
assign (resid 17 and name ZN) (resid 6 and segid B and name Nd1)
(resid 6 and segid B and name Cg) (resid 6 and segid B and name Cd2) 1.0 -180.00 5.00 2
assign (resid 17 and name ZN) (resid 14 and segid B and name Ne2)
(resid 14 and segid B and name Ce1) (resid 14 and segid B and name Nd1) 1.0 180.00 5.00 2
assign (resid 17 and name ZN) (resid 14 and segid B and name Ne2)
(resid 14 and segid B and name Cd2) (resid 14 and segid B and name Cg) 1.0 -180.00 5.00 2