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

524392 2lev 17729 cing 1-original 10 HADDOCK distance general distance ambi
!
!
! (* HADDOCK AIR restraints for CT-LER *)
!
!
assign ( resid 20 and segid A)
       (
        ( resid 8  and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 9  and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     !or
     !   ( resid 10 and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 22 and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 23 and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 24 and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 25 and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
       )  2.0 2.0 0.0
!
assign ( resid 21 and segid A)
       (
        ( resid 8  and segid B and (name H3 or name O2 or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 9  and segid B and (name H3 or name O2 or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 22 and segid B and (name N1 or name N3 or name C2 or name C4' or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 23 and segid B and (name N1 or name N3 or name C2 or name C4' or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 24 and segid B and (name H3 or name O2 or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 25 and segid B and (name H3 or name O2 or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
       )  2.0 2.0 0.0
!
assign ( resid 22 and segid A)
       (
        ( resid 8  and segid B and (name H3 or name O2 or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 9  and segid B and (name H3 or name O2 or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 22 and segid B and (name N1 or name N3 or name C2 or name C4' or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 23 and segid B and (name N1 or name N3 or name C2 or name C4' or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 24 and segid B and (name H3 or name O2 or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 25 and segid B and (name H3 or name O2 or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
       )  2.0 2.0 0.0
!
assign ( resid 23 and segid A)
       (
        ( resid 8  and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 9  and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 22 and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 23 and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 24 and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 25 and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
       )  2.0 2.0 0.0
!
assign ( resid 24 and segid A)
       (
        ( resid 8  and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 9  and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 22 and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 23 and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 24 and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 25 and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
       )  2.0 2.0 0.0
!
assign ( resid 25 and segid A)
       (
        ( resid 8  and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 9  and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 22 and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 23 and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 24 and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
     or
        ( resid 25 and segid B and (name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
       )  2.0 2.0 0.0
!
! (* HADDOCK AIR restraints for LeeH *)
!
!
assign ( resid 8  and segid B and (name H3 or name O2 or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
       (
        ( resid 17  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 19  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 21  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 23  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 25  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 9  and segid B and (name H3 or name O2 or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
       (
        ( resid 17  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 19  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 21  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 23  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 25  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 22 and segid B and (name N1 or name N3 or name C2 or name C4' or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
       (
        ( resid 17  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 19  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 21  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 23  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 25  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 23 and segid B and (name N1 or name N3 or name C2 or name C4' or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
       (
        ( resid 17  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 19  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 21  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 23  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 25  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 24 and segid B and (name H3 or name O2 or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
       (
        ( resid 17  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 19  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 21  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 23  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 25  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 25 and segid B and (name H3 or name O2 or name C2' or name C1' or name O3' or name O5' or name P or name O1P or name O2P))
       (
        ( resid 17  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 19  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 21  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 23  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 25  and segid A)
       )  2.0 2.0 0.0
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image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	524392	2lev	17729	cing	1-original	10	HADDOCK	distance	general distance	ambi