NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype

517411 2kso cing 1-original 1 HADDOCK distance NOE ambi
!
! HADDOCK AIR restraints for 1st molecule
!
!
assign ( resid 23  and segid A)
       (
        ( resid 46  and segid B)
     or
        ( resid 47  and segid B)
     or
        ( resid 48  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 51  and segid B)
     or
        ( resid 52  and segid B)
     or
        ( resid 53  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 55  and segid B)
     or
        ( resid 57  and segid B)
     or
        ( resid 58  and segid B)
     or
        ( resid 62  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 61  and segid B)
       )  4.0 3.0 1.0
!
assign ( resid 57  and segid A)
       (
        ( resid 30  and segid B)
     or
        ( resid 46  and segid B)
     or
        ( resid 47  and segid B)
     or
        ( resid 48  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 51  and segid B)
     or
        ( resid 52  and segid B)
     or
        ( resid 53  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 55  and segid B)
     or
        ( resid 57  and segid B)
     or
        ( resid 58  and segid B)
     or
        ( resid 62  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 61  and segid B)
       )  4.0 3.0 1.0
!
assign ( resid 59  and segid A)
       (
        ( resid 46  and segid B)
     or
        ( resid 47  and segid B)
     or
        ( resid 48  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 51  and segid B)
     or
        ( resid 52  and segid B)
     or
        ( resid 53  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 55  and segid B)
     or
        ( resid 57  and segid B)
     or
        ( resid 58  and segid B)
     or
        ( resid 62  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 61  and segid B)
       )  4.0 3.0 1.0
!
assign ( resid 60  and segid A)
       (
        ( resid 46  and segid B)
     or
        ( resid 47  and segid B)
     or
        ( resid 48  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 51  and segid B)
     or
        ( resid 52  and segid B)
     or
        ( resid 53  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 55  and segid B)
     or
        ( resid 57  and segid B)
     or
        ( resid 58  and segid B)
     or
        ( resid 62  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 61  and segid B)
       )  4.0 3.0 1.0
!
assign ( resid 63  and segid A)
       (
        ( resid 46  and segid B)
     or
        ( resid 47  and segid B)
     or
        ( resid 48  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 51  and segid B)
     or
        ( resid 52  and segid B)
     or
        ( resid 53  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 55  and segid B)
     or
        ( resid 57  and segid B)
     or
        ( resid 58  and segid B)
     or
        ( resid 62  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 61  and segid B)
       )  4.0 3.0 1.0
!
! HADDOCK AIR restraints for 2nd molecule
!
!
assign ( resid 46  and segid B)
        (
        ( resid 23  and segid A)
     or
        ( resid 57  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 47  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 58  and segid A)
     or
        ( resid 62  and segid A)
       )  4.0 3.0 1.0
!
assign ( resid 47  and segid B)
       (
        ( resid 23  and segid A)
     or
        ( resid 57  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 47  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 58  and segid A)
     or
        ( resid 62  and segid A)
       )  4.0 3.0 1.0
!
assign ( resid 48  and segid B)
       (
        ( resid 23  and segid A)
     or
        ( resid 57  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 47  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 58  and segid A)
     or
        ( resid 62  and segid A)
       )  4.0 3.0 1.0
!
assign ( resid 49  and segid B)
       (
        ( resid 23  and segid A)
     or
        ( resid 57  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 47  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 58  and segid A)
     or
        ( resid 62  and segid A)
       )  4.0 3.0 1.0
!
assign ( resid 51  and segid B)
       (
        ( resid 23  and segid A)
     or
        ( resid 57  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 47  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 58  and segid A)
     or
        ( resid 62  and segid A)
       )  4.0 3.0 1.0
!
assign ( resid 52  and segid B)
       (
        ( resid 23  and segid A)
     or
        ( resid 57  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 47  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 58  and segid A)
     or
        ( resid 62  and segid A)
       )  4.0 3.0 1.0
!
assign ( resid 53  and segid B)
       (
        ( resid 23  and segid A)
     or
        ( resid 57  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 47  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 58  and segid A)
     or
        ( resid 62  and segid A)
       )  4.0 3.0 1.0
!
assign ( resid 54  and segid B)
       (
!        ( resid 19  and segid A)
!     or
        ( resid 23  and segid A)
     or
        ( resid 57  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 47  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 58  and segid A)
     or
        ( resid 62  and segid A)
       )  4.0 3.0 1.0
!
assign ( resid 55  and segid B)
       (
!        ( resid 19  and segid A)
!     or
        ( resid 23  and segid A)
     or
        ( resid 57  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 47  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 58  and segid A)
     or
        ( resid 62  and segid A)
       )  4.0 3.0 1.0
!
assign ( resid 57  and segid B)
       (
!        ( resid 19  and segid A)
!     or
        ( resid 23  and segid A)
     or
        ( resid 57  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 47  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 58  and segid A)
     or
        ( resid 62  and segid A)
       )  4.0 3.0 1.0
!
assign ( resid 58  and segid B)
       (
!        ( resid 19  and segid A)
!     or
        ( resid 23  and segid A)
     or
        ( resid 57  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 47  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 58  and segid A)
     or
        ( resid 62  and segid A)
       )  4.0 3.0 1.0
!
assign ( resid 62  and segid B)
       (
!        ( resid 19  and segid A)
!     or
        ( resid 23  and segid A)
     or
        ( resid 57  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 47  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 58  and segid A)
     or
        ( resid 62  and segid A)
       )  4.0 3.0 1.0
!
assign ( resid 68  and segid B)
       (
        ( resid 23  and segid A)
     or
        ( resid 57  and segid A)
     or
        ( resid 59  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 25  and segid A)
     or
        ( resid 47  and segid A)
     or
        ( resid 56  and segid A)
     or
        ( resid 58  and segid A)
     or
        ( resid 62  and segid A)
       )  4.0 3.0 1.0
!
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image	mrblock_id	pdb_id	cing	stage	position	program	type	subtype	subsubtype
	517411	2kso	cing	1-original	1	HADDOCK	distance	NOE	ambi