BMRB

NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
592899 2mw2 RC 25296 cing 1-original 1 XPLOR/CNS distance general distance ambi


!#########################################################################
!#                                                                       #
!#  The structure of the complex was calculated as follows:              #
!#  PRE data, binding­ induced broadening and mutagenesis information     #
!#  were converted into structural restraints and used in a flexible   #
!#  Haddock docking protocol, starting with the known structures of     #
!#  unbound Hha (PDB 1JW2) and H-­NS46 antiparallel dimer (PDB 1NI8)     #
!#                                                                       #
!#########################################################################
!
!
! (* all restrains are in CNS format *)
!
!
! (* PREs Restraints originating from spin-labels attached to D37C or S66C in Hha *)
!
!
! (* MTSL-tag at postion 66 *)
!
assign ( resid 66  and segid A  and name NAQ)
       (
        ( resid 32  and segid B  and name HN)
     or
        ( resid 32  and segid C  and name HN)
       )  16.6 5.0 5.0
!
assign ( resid 66  and segid A  and name NAQ)
       (
        ( resid 35  and segid B and name HN)
     or
        ( resid 35  and segid C  and name HN)
       )  15.6 5.0 5.0
!
assign ( resid 66  and segid A  and name NAQ)
       (
        ( resid 36  and segid B  and name HN)
     or
        ( resid 36  and segid C  and name HN)
       )  15.8 5.0 5.0
!
assign ( resid 66  and segid A  and name NAQ)
       (
        ( resid 38  and segid B  and name HN)
     or
        ( resid  38  and segid C  and name HN)
       )  16.3 5.0 5.0
!
assign ( resid 66  and segid A  and name NAQ)
       (
        ( resid 38  and segid B  and name HD21)
     or
        ( resid 38  and segid C  and name HD21)
       )  15.0 13.0 5.0
!
assign ( resid 66  and segid A  and name NAQ)
       (
        ( resid 39  and segid B  and name HN)
     or
        ( resid 39  and segid C  and name HN)
       )  15.4 5.0 5.0
!
! (* MTSL-tag at position 37 *)
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 2  and segid B  and name HN)
     or
        ( resid 2  and segid C  and name HN)
       )  11.0 5.0 5.0

assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 6  and segid C  and name HN)
     or
        ( resid 6  and segid B  and name HN)
       )  10.5 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 7  and segid B  and name HN)
     or
        ( resid 7  and segid C  and name HN)
       )  10.5 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 8  and segid B  and name HN)
     or
        ( resid 8  and segid C  and name HN)
       )  10.3 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 9  and segid B  and name HN)
     or
        ( resid 9  and segid C  and name HN)
       )  12.4 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 13  and segid B  and name HN)
     or
        ( resid 13  and segid C  and name HN)
       )  11.7 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 14  and segid B  and name HN)
     or
        ( resid 14  and segid C  and name HN)
       )  12.0 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 15  and segid B  and name HN)
     or
        ( resid 15  and segid C  and name HN)
       )  15.5 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 16  and segid B  and name HN)
     or
        ( resid 16  and segid C  and name HN)
       )  13.3 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 17  and segid B  and name HN)
     or
        ( resid 17  and segid C  and name HN)
       )  12.4 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 18  and segid C  and name HN)
     or
        ( resid 81  and segid C  and name HN)
       )  14.2 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 19  and segid B  and name HN)
     or
        ( resid 19  and segid C  and name HN)
       )  13.6 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 20  and segid C  and name HN)
     or
        ( resid 83  and segid C  and name HN)
       )  13.5 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 21  and segid B  and name HN)
     or
        ( resid 21  and segid C  and name HN)
       )  13.0 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 22  and segid B  and name HN)
     or
        ( resid 22  and segid C  and name HN)
       )  15.9 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 23  and segid B  and name HN)
     or
        ( resid 23  and segid C  and name HN)
       )  15.0 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 24  and segid B  and name HN)
     or
        ( resid 24  and segid C  and name HN)
       )  17.6 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 25  and segid B  and name HN)
     or
        ( resid 25  and segid C  and name HN)
       )  14.7 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 26  and segid B  and name HN)
     or
        ( resid 26  and segid C  and name HN)
       )  12.7 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 28  and segid B  and name HN)
     or
        ( resid 28  and segid C  and name HN)
       )  13.1 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 29  and segid B  and name HN)
     or
        ( resid 29  and segid C  and name HN)
       )  15.8 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 30  and segid C  and name HN)
     or
        ( resid 93  and segid C  and name HN)
       )  15.4 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 33  and segid B  and name HN)
     or
        ( resid 33  and segid C  and name HN)
       )  15.0 5.0 4.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 34  and segid B  and name HN)
     or
        ( resid 34  and segid C  and name HN)
       )  14.6 5.0 5.0
!
assign ( resid 37  and segid A  and name NAQ)
       (
        ( resid 35  and segid B  and name HN)
     or
        ( resid 35  and segid C  and name HN)
       )  15.2 5.0 5.0