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

568584 2mf8 19540 cing 1-original 1 HADDOCK distance NOE ambi
!
! HADDOCK AIR restraints for F4 and F5
! F4
!
! HIS 812
assign ( resid 812  and segid A and name NE2)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 812  and segid A and name ND1)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 812  and segid A and name HE2)
       (
        ( resid 6  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 7  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 20  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 21  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! TYR 817
assign ( resid 817  and segid A and name OH)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 817  and segid A and name HH)
       (
        ( resid 6  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 7  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 20  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 21  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! SER 819
assign ( resid 819  and segid A and name OG)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 819  and segid A and name HG)
       (
        ( resid 6  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 7  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 20  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 21  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! ARG 821
assign ( resid 821  and segid A and name NE)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 821  and segid A and name HE)
       (
        ( resid 6  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 7  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 20  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 21  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! SER 822
assign ( resid 822  and segid A and name OG)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 822  and segid A and name HG)
       (
        ( resid 6  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 7  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 20  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 21  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! LEU 823
assign ( resid 823  and segid A and name HD*)
       (
        ( resid 20  and segid B and name C7)
     or
        ( resid 21  and segid B and name C7)
       )  2.0 2.0 0.0
!
! SER 824
assign ( resid 824  and segid A and name OG)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 824  and segid A and name HG)
       (
        ( resid 6  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 7  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 20  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 21  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
!F5
!
! HIS 856
assign ( resid 856  and segid A and name NE2)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 856  and segid A and name ND1)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 856  and segid A and name HE2)
       (
        ( resid 6  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 7  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 20  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 21  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! TYR 861
assign ( resid 861  and segid A and name OH)
       (
        ( resid 6  and segid B and name H* and not name *')
     or
        ( resid 7  and segid B and name H* and not name *')
     or
        ( resid 20  and segid B and name H* and not name *')
     or
        ( resid 21  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 861  and segid A and name HH)
       (
        ( resid 6  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 7  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 20  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 21  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! SER 863
assign ( resid 863  and segid A and name OG)
       (
        ( resid 9  and segid B and name H* and not name *')
     or
        ( resid 10  and segid B and name H* and not name *')
     or
        ( resid 17  and segid B and name H* and not name *')
     or
        ( resid 18  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 863  and segid A and name HG)
       (
        ( resid 9  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 10  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 17  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 18  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! ARG 865
assign ( resid 865  and segid A and name HE)
       (
        ( resid 9  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 10  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 17  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 18  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 865  and segid A and name NE)
       (
        ( resid 9  and segid B and name H* and not name *')
     or
        ( resid 10  and segid B and name H* and not name *')
     or
        ( resid 17  and segid B and name H* and not name *')
     or
        ( resid 18  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
! SER 866
assign ( resid 866  and segid A and name OG)
       (
        ( resid 9  and segid B and name H* and not name *')
     or
        ( resid 10  and segid B and name H* and not name *')
     or
        ( resid 17  and segid B and name H* and not name *')
     or
        ( resid 18  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 866  and segid A and name HG)
       (
        ( resid 9  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 10  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 17  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 18  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
! LEU 867
assign ( resid 867  and segid A and name HD*)
       (
        ( resid 9  and segid B and name C7)
     or
        ( resid 10  and segid B and name C7)
       )  2.0 2.0 0.0
!
! SER 868
assign ( resid 868  and segid A and name OG)
       (
        ( resid 9  and segid B and name H* and not name *')
     or
        ( resid 10  and segid B and name H* and not name *')
     or
        ( resid 17  and segid B and name H* and not name *')
     or
        ( resid 18  and segid B and name H* and not name *')
       )  2.0 2.0 0.0
!
assign ( resid 868  and segid A and name HG)
       (
        ( resid 9  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 10  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 17  and segid B and (name O* or name N*) and not name *')
     or
        ( resid 18  and segid B and (name O* or name N*) and not name *')
       )  2.0 2.0 0.0
!
!
! HADDOCK AIR restraints for RARE - modified for specificity
!
!
! ADE 6
assign ( resid 6  and segid B and name N6)
       (
        ( resid 812  and segid A and name H*)
     or
        ( resid 817  and segid A and name H*)
     or
        ( resid 819  and segid A and name H*)
     or
        ( resid 821  and segid A and name H*)
     or
        ( resid 822  and segid A and name H*)
     or
        ( resid 823  and segid A and name H*)
     or
        ( resid 824  and segid A and name H*)
       )  2.0 2.0 0.0
!
assign ( resid 6  and segid B and name H6#)
       (
        ( resid 812  and segid A and (name O* or name N*))
     or
        ( resid 817  and segid A and (name O* or name N*))
     or
        ( resid 819  and segid A and (name O* or name N*))
     or
        ( resid 821  and segid A and (name O* or name N*))
     or
        ( resid 822  and segid A and (name O* or name N*))
     or
        ( resid 823  and segid A and (name O* or name N*))
     or
        ( resid 824  and segid A and (name O* or name N*))
       )  2.0 2.0 0.0
!
! ADE 7
assign ( resid 7  and segid B and name N6)
       (
        ( resid 812  and segid A and name H*)
     or
        ( resid 817  and segid A and name H*)
     or
        ( resid 819  and segid A and name H*)
     or
        ( resid 821  and segid A and name H*)
     or
        ( resid 822  and segid A and name H*)
     or
        ( resid 823  and segid A and name H*)
     or
        ( resid 824  and segid A and name H*)
       )  2.0 2.0 0.0
!
assign ( resid 7  and segid B and name H6#)
       (
        ( resid 812  and segid A and (name O* or name N*))
     or
        ( resid 817  and segid A and (name O* or name N*))
     or
        ( resid 819  and segid A and (name O* or name N*))
     or
        ( resid 821  and segid A and (name O* or name N*))
     or
        ( resid 822  and segid A and (name O* or name N*))
     or
        ( resid 823  and segid A and (name O* or name N*))
     or
        ( resid 824  and segid A and (name O* or name N*))
       )  2.0 2.0 0.0
!
! THY 20
assign ( resid 20  and segid B and name N6)
       (
        ( resid 812  and segid A and name H*)
     or
        ( resid 817  and segid A and name H*)
     or
        ( resid 819  and segid A and name H*)
     or
        ( resid 821  and segid A and name H*)
     or
        ( resid 822  and segid A and name H*)
     or
        ( resid 823  and segid A and name H*)
     or
        ( resid 824  and segid A and name H*)
       )  2.0 2.0 0.0
!
assign ( resid 20  and segid B and name H3)
       (
        ( resid 812  and segid A and (name O* or name N*))
     or
        ( resid 817  and segid A and (name O* or name N*))
     or
        ( resid 819  and segid A and (name O* or name N*))
     or
        ( resid 821  and segid A and (name O* or name N*))
     or
        ( resid 822  and segid A and (name O* or name N*))
     or
        ( resid 823  and segid A and (name O* or name N*))
     or
        ( resid 824  and segid A and (name O* or name N*))
       )  2.0 2.0 0.0
!
assign ( resid 20  and segid B and name C7)
       (
        ( resid 812  and segid A and name H*)
     or
        ( resid 817  and segid A and name H*)
     or
        ( resid 819  and segid A and name H*)
     or
        ( resid 821  and segid A and name H*)
     or
        ( resid 822  and segid A and name H*)
     or
        ( resid 823  and segid A and name H*)
     or
        ( resid 824  and segid A and name H*)
       )  2.0 2.0 0.0
!
! THY 21
assign ( resid 21  and segid B and name O4)
       (
        ( resid 812  and segid A and name H*)
     or
        ( resid 817  and segid A and name H*)
     or
        ( resid 819  and segid A and name H*)
     or
        ( resid 821  and segid A and name H*)
     or
        ( resid 822  and segid A and name H*)
     or
        ( resid 823  and segid A and name H*)
     or
        ( resid 824  and segid A and name H*)
       )  2.0 2.0 0.0
!
assign ( resid 21  and segid B and name H3)
       (
        ( resid 812  and segid A and (name O* or name N*))
     or
        ( resid 817  and segid A and (name O* or name N*))
     or
        ( resid 819  and segid A and (name O* or name N*))
     or
        ( resid 821  and segid A and (name O* or name N*))
     or
        ( resid 822  and segid A and (name O* or name N*))
     or
        ( resid 823  and segid A and (name O* or name N*))
     or
        ( resid 824  and segid A and (name O* or name N*))
       )  2.0 2.0 0.0
!
assign ( resid 21  and segid B and name C7)
       (
        ( resid 812  and segid A and name H*)
     or
        ( resid 817  and segid A and name H*)
     or
        ( resid 819  and segid A and name H*)
     or
        ( resid 821  and segid A and name H*)
     or
        ( resid 822  and segid A and name H*)
     or
        ( resid 823  and segid A and name H*)
     or
        ( resid 824  and segid A and name H*)
       )  2.0 2.0 0.0
!
! ADE 17
assign ( resid 17  and segid B and name N6)
       (
        ( resid 856  and segid A and name H*)
     or
        ( resid 861  and segid A and name H*)
     or
        ( resid 863  and segid A and name H*)
     or
        ( resid 865  and segid A and name H*)
     or
        ( resid 866  and segid A and name H*)
     or
        ( resid 867  and segid A and name H*)
     or
        ( resid 868  and segid A and name H*)
       )  2.0 2.0 0.0
!
assign ( resid 17  and segid B and name H6#)
       (
        ( resid 856  and segid A and (name O* or name N*))
     or
        ( resid 861  and segid A and (name O* or name N*))
     or
        ( resid 863  and segid A and (name O* or name N*))
     or
        ( resid 865  and segid A and (name O* or name N*))
     or
        ( resid 866  and segid A and (name O* or name N*))
     or
        ( resid 867  and segid A and (name O* or name N*))
     or
        ( resid 868  and segid A and (name O* or name N*))
       )  2.0 2.0 0.0
!
! ADE 18
assign ( resid 18  and segid B and name N6)
       (
        ( resid 856  and segid A and name H*)
     or
        ( resid 861  and segid A and name H*)
     or
        ( resid 863  and segid A and name H*)
     or
        ( resid 865  and segid A and name H*)
     or
        ( resid 866  and segid A and name H*)
     or
        ( resid 867  and segid A and name H*)
     or
        ( resid 868  and segid A and name H*)
       )  2.0 2.0 0.0
!
assign ( resid 18  and segid B and name H6#)
       (
        ( resid 856  and segid A and (name O* or name N*))
     or
        ( resid 861  and segid A and (name O* or name N*))
     or
        ( resid 863  and segid A and (name O* or name N*))
     or
        ( resid 865  and segid A and (name O* or name N*))
     or
        ( resid 866  and segid A and (name O* or name N*))
     or
        ( resid 867  and segid A and (name O* or name N*))
     or
        ( resid 868  and segid A and (name O* or name N*))
       )  2.0 2.0 0.0
!
! THY 9
assign ( resid 9  and segid B and name O4)
       (
        ( resid 856  and segid A and name H*)
     or
        ( resid 861  and segid A and name H*)
     or
        ( resid 863  and segid A and name H*)
     or
        ( resid 865  and segid A and name H*)
     or
        ( resid 866  and segid A and name H*)
     or
        ( resid 867  and segid A and name H*)
     or
        ( resid 868  and segid A and name H*)
       )  2.0 2.0 0.0
!
assign ( resid 9  and segid B and name H3)
       (
        ( resid 856  and segid A and (name O* or name N*))
     or
        ( resid 861  and segid A and (name O* or name N*))
     or
        ( resid 863  and segid A and (name O* or name N*))
     or
        ( resid 865  and segid A and (name O* or name N*))
     or
        ( resid 866  and segid A and (name O* or name N*))
     or
        ( resid 867  and segid A and (name O* or name N*))
     or
        ( resid 868  and segid A and (name O* or name N*))
       )  2.0 2.0 0.0
!
assign ( resid 9  and segid B and name C7)
       (
        ( resid 856  and segid A and name H*)
     or
        ( resid 861  and segid A and name H*)
     or
        ( resid 863  and segid A and name H*)
     or
        ( resid 865  and segid A and name H*)
     or
        ( resid 866  and segid A and name H*)
     or
        ( resid 867  and segid A and name H*)
     or
        ( resid 868  and segid A and name H*)
       )  2.0 2.0 0.0
!
! THY 10
assign ( resid 10  and segid B and name O4)
       (
        ( resid 856  and segid A and name H*)
     or
        ( resid 861  and segid A and name H*)
     or
        ( resid 863  and segid A and name H*)
     or
        ( resid 865  and segid A and name H*)
     or
        ( resid 866  and segid A and name H*)
     or
        ( resid 867  and segid A and name H*)
     or
        ( resid 868  and segid A and name H*)
       )  2.0 2.0 0.0
!
assign ( resid 10  and segid B and name H3)
       (
        ( resid 856  and segid A and (name O* or name N*))
     or
        ( resid 861  and segid A and (name O* or name N*))
     or
        ( resid 863  and segid A and (name O* or name N*))
     or
        ( resid 865  and segid A and (name O* or name N*))
     or
        ( resid 866  and segid A and (name O* or name N*))
     or
        ( resid 867  and segid A and (name O* or name N*))
     or
        ( resid 868  and segid A and (name O* or name N*))
       )  2.0 2.0 0.0
!
assign ( resid 10  and segid B and name C7)
       (
        ( resid 856  and segid A and name H*)
     or
        ( resid 861  and segid A and name H*)
     or
        ( resid 863  and segid A and name H*)
     or
        ( resid 865  and segid A and name H*)
     or
        ( resid 866  and segid A and name H*)
     or
        ( resid 867  and segid A and name H*)
     or
        ( resid 868  and segid A and name H*)
       )  2.0 2.0 0.0
!
!
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Contact the webmaster for help, if required. Wednesday, May 8, 2024 7:39:30 PM GMT (wattos1)
image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	568584	2mf8	19540	cing	1-original	1	HADDOCK	distance	NOE	ambi