NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
458766 |
2ki4   |
cing | 1-original | 1 | HADDOCK | distance | NOE | ambi |
!
! HADDOCK AIR restraints for 1st molecule
!
!
assign ( resid 98 and segid A)
(
( resid 15 and segid B)
or
( resid 21 and segid B)
or
( resid 22 and segid B)
or
( resid 23 and segid B)
or
( resid 25 and segid B)
or
( resid 26 and segid B)
or
( resid 30 and segid B)
or
( resid 36 and segid B)
or
( resid 18 and segid B)
or
( resid 27 and segid B)
or
( resid 29 and segid B)
or
( resid 31 and segid B)
or
( resid 40 and segid B)
) 3.0 3.0 0.0
!
assign ( resid 99 and segid A)
(
( resid 15 and segid B)
or
( resid 21 and segid B)
or
( resid 22 and segid B)
or
( resid 23 and segid B)
or
( resid 25 and segid B)
or
( resid 26 and segid B)
or
( resid 30 and segid B)
or
( resid 36 and segid B)
or
( resid 18 and segid B)
or
( resid 27 and segid B)
or
( resid 29 and segid B)
or
( resid 31 and segid B)
or
( resid 40 and segid B)
) 3.0 3.0 0.0
!
assign ( resid 112 and segid A)
(
( resid 15 and segid B)
or
( resid 21 and segid B)
or
( resid 22 and segid B)
or
( resid 23 and segid B)
or
( resid 25 and segid B)
or
( resid 26 and segid B)
or
( resid 30 and segid B)
or
( resid 36 and segid B)
or
( resid 18 and segid B)
or
( resid 27 and segid B)
or
( resid 29 and segid B)
or
( resid 31 and segid B)
or
( resid 40 and segid B)
) 3.0 3.0 0.0
!
assign ( resid 115 and segid A)
(
( resid 15 and segid B)
or
( resid 21 and segid B)
or
( resid 22 and segid B)
or
( resid 23 and segid B)
or
( resid 25 and segid B)
or
( resid 26 and segid B)
or
( resid 30 and segid B)
or
( resid 36 and segid B)
or
( resid 18 and segid B)
or
( resid 27 and segid B)
or
( resid 29 and segid B)
or
( resid 31 and segid B)
or
( resid 40 and segid B)
) 3.0 3.0 0.0
!
assign ( resid 117 and segid A)
(
( resid 15 and segid B)
or
( resid 21 and segid B)
or
( resid 22 and segid B)
or
( resid 23 and segid B)
or
( resid 25 and segid B)
or
( resid 26 and segid B)
or
( resid 30 and segid B)
or
( resid 36 and segid B)
or
( resid 18 and segid B)
or
( resid 27 and segid B)
or
( resid 29 and segid B)
or
( resid 31 and segid B)
or
( resid 40 and segid B)
) 3.0 3.0 0.0
!
assign ( resid 118 and segid A)
(
( resid 15 and segid B)
or
( resid 21 and segid B)
or
( resid 22 and segid B)
or
( resid 23 and segid B)
or
( resid 25 and segid B)
or
( resid 26 and segid B)
or
( resid 30 and segid B)
or
( resid 36 and segid B)
or
( resid 18 and segid B)
or
( resid 27 and segid B)
or
( resid 29 and segid B)
or
( resid 31 and segid B)
or
( resid 40 and segid B)
) 3.0 3.0 0.0
!
assign ( resid 119 and segid A)
(
( resid 15 and segid B)
or
( resid 21 and segid B)
or
( resid 22 and segid B)
or
( resid 23 and segid B)
or
( resid 25 and segid B)
or
( resid 26 and segid B)
or
( resid 30 and segid B)
or
( resid 36 and segid B)
or
( resid 18 and segid B)
or
( resid 27 and segid B)
or
( resid 29 and segid B)
or
( resid 31 and segid B)
or
( resid 40 and segid B)
) 3.0 3.0 0.0
!
assign ( resid 120 and segid A)
(
( resid 15 and segid B)
or
( resid 21 and segid B)
or
( resid 22 and segid B)
or
( resid 23 and segid B)
or
( resid 25 and segid B)
or
( resid 26 and segid B)
or
( resid 30 and segid B)
or
( resid 36 and segid B)
or
( resid 18 and segid B)
or
( resid 27 and segid B)
or
( resid 29 and segid B)
or
( resid 31 and segid B)
or
( resid 40 and segid B)
) 3.0 3.0 0.0
!
assign ( resid 121 and segid A)
(
( resid 15 and segid B)
or
( resid 21 and segid B)
or
( resid 22 and segid B)
or
( resid 23 and segid B)
or
( resid 25 and segid B)
or
( resid 26 and segid B)
or
( resid 30 and segid B)
or
( resid 36 and segid B)
or
( resid 18 and segid B)
or
( resid 27 and segid B)
or
( resid 29 and segid B)
or
( resid 31 and segid B)
or
( resid 40 and segid B)
) 3.0 3.0 0.0
!
! HADDOCK AIR restraints for 2nd molecule
!
!
assign ( resid 15 and segid B)
(
( resid 98 and segid A)
or
( resid 99 and segid A)
or
( resid 112 and segid A)
or
( resid 115 and segid A)
or
( resid 117 and segid A)
or
( resid 118 and segid A)
or
( resid 119 and segid A)
or
( resid 120 and segid A)
or
( resid 121 and segid A)
or
( resid 100 and segid A)
or
( resid 101 and segid A)
or
( resid 113 and segid A)
or
( resid 116 and segid A)
or
( resid 122 and segid A)
) 3.0 3.0 0.0
!
assign ( resid 21 and segid B)
(
( resid 98 and segid A)
or
( resid 99 and segid A)
or
( resid 112 and segid A)
or
( resid 115 and segid A)
or
( resid 117 and segid A)
or
( resid 118 and segid A)
or
( resid 119 and segid A)
or
( resid 120 and segid A)
or
( resid 121 and segid A)
or
( resid 100 and segid A)
or
( resid 101 and segid A)
or
( resid 113 and segid A)
or
( resid 116 and segid A)
or
( resid 122 and segid A)
) 3.0 3.0 0.0
!
assign ( resid 22 and segid B)
(
( resid 98 and segid A)
or
( resid 99 and segid A)
or
( resid 112 and segid A)
or
( resid 115 and segid A)
or
( resid 117 and segid A)
or
( resid 118 and segid A)
or
( resid 119 and segid A)
or
( resid 120 and segid A)
or
( resid 121 and segid A)
or
( resid 100 and segid A)
or
( resid 101 and segid A)
or
( resid 113 and segid A)
or
( resid 116 and segid A)
or
( resid 122 and segid A)
) 3.0 3.0 0.0
!
assign ( resid 23 and segid B)
(
( resid 98 and segid A)
or
( resid 99 and segid A)
or
( resid 112 and segid A)
or
( resid 115 and segid A)
or
( resid 117 and segid A)
or
( resid 118 and segid A)
or
( resid 119 and segid A)
or
( resid 120 and segid A)
or
( resid 121 and segid A)
or
( resid 100 and segid A)
or
( resid 101 and segid A)
or
( resid 113 and segid A)
or
( resid 116 and segid A)
or
( resid 122 and segid A)
) 3.0 3.0 0.0
!
assign ( resid 25 and segid B)
(
( resid 98 and segid A)
or
( resid 99 and segid A)
or
( resid 112 and segid A)
or
( resid 115 and segid A)
or
( resid 117 and segid A)
or
( resid 118 and segid A)
or
( resid 119 and segid A)
or
( resid 120 and segid A)
or
( resid 121 and segid A)
or
( resid 100 and segid A)
or
( resid 101 and segid A)
or
( resid 113 and segid A)
or
( resid 116 and segid A)
or
( resid 122 and segid A)
) 3.0 3.0 0.0
!
assign ( resid 26 and segid B)
(
( resid 98 and segid A)
or
( resid 99 and segid A)
or
( resid 112 and segid A)
or
( resid 115 and segid A)
or
( resid 117 and segid A)
or
( resid 118 and segid A)
or
( resid 119 and segid A)
or
( resid 120 and segid A)
or
( resid 121 and segid A)
or
( resid 100 and segid A)
or
( resid 101 and segid A)
or
( resid 113 and segid A)
or
( resid 116 and segid A)
or
( resid 122 and segid A)
) 3.0 3.0 0.0
!
assign ( resid 30 and segid B)
(
( resid 98 and segid A)
or
( resid 99 and segid A)
or
( resid 112 and segid A)
or
( resid 115 and segid A)
or
( resid 117 and segid A)
or
( resid 118 and segid A)
or
( resid 119 and segid A)
or
( resid 120 and segid A)
or
( resid 121 and segid A)
or
( resid 100 and segid A)
or
( resid 101 and segid A)
or
( resid 113 and segid A)
or
( resid 116 and segid A)
or
( resid 122 and segid A)
) 3.0 3.0 0.0
!
assign ( resid 36 and segid B)
(
( resid 98 and segid A)
or
( resid 99 and segid A)
or
( resid 112 and segid A)
or
( resid 115 and segid A)
or
( resid 117 and segid A)
or
( resid 118 and segid A)
or
( resid 119 and segid A)
or
( resid 120 and segid A)
or
( resid 121 and segid A)
or
( resid 100 and segid A)
or
( resid 101 and segid A)
or
( resid 113 and segid A)
or
( resid 116 and segid A)
or
( resid 122 and segid A)
) 3.0 3.0 0.0
!
!
! HADDOCK AIR restraints for 3rd molecule
!
!
assign ( resid 15 and segid C)
(
( resid 98 and segid D)
or
( resid 99 and segid D)
or
( resid 112 and segid D)
or
( resid 115 and segid D)
or
( resid 117 and segid D)
or
( resid 118 and segid D)
or
( resid 119 and segid D)
or
( resid 120 and segid D)
or
( resid 121 and segid D)
or
( resid 100 and segid D)
or
( resid 101 and segid D)
or
( resid 113 and segid D)
or
( resid 116 and segid D)
or
( resid 122 and segid D)
) 3.0 3.0 0.0
!
assign ( resid 21 and segid C)
(
( resid 98 and segid D)
or
( resid 99 and segid D)
or
( resid 112 and segid D)
or
( resid 115 and segid D)
or
( resid 117 and segid D)
or
( resid 118 and segid D)
or
( resid 119 and segid D)
or
( resid 120 and segid D)
or
( resid 121 and segid D)
or
( resid 100 and segid D)
or
( resid 101 and segid D)
or
( resid 113 and segid D)
or
( resid 116 and segid D)
or
( resid 122 and segid D)
) 3.0 3.0 0.0
!
assign ( resid 22 and segid C)
(
( resid 98 and segid D)
or
( resid 99 and segid D)
or
( resid 112 and segid D)
or
( resid 115 and segid D)
or
( resid 117 and segid D)
or
( resid 118 and segid D)
or
( resid 119 and segid D)
or
( resid 120 and segid D)
or
( resid 121 and segid D)
or
( resid 100 and segid D)
or
( resid 101 and segid D)
or
( resid 113 and segid D)
or
( resid 116 and segid D)
or
( resid 122 and segid D)
) 3.0 3.0 0.0
!
assign ( resid 23 and segid C)
(
( resid 98 and segid D)
or
( resid 99 and segid D)
or
( resid 112 and segid D)
or
( resid 115 and segid D)
or
( resid 117 and segid D)
or
( resid 118 and segid D)
or
( resid 119 and segid D)
or
( resid 120 and segid D)
or
( resid 121 and segid D)
or
( resid 100 and segid D)
or
( resid 101 and segid D)
or
( resid 113 and segid D)
or
( resid 116 and segid D)
or
( resid 122 and segid D)
) 3.0 3.0 0.0
!
assign ( resid 25 and segid C)
(
( resid 98 and segid D)
or
( resid 99 and segid D)
or
( resid 112 and segid D)
or
( resid 115 and segid D)
or
( resid 117 and segid D)
or
( resid 118 and segid D)
or
( resid 119 and segid D)
or
( resid 120 and segid D)
or
( resid 121 and segid D)
or
( resid 100 and segid D)
or
( resid 101 and segid D)
or
( resid 113 and segid D)
or
( resid 116 and segid D)
or
( resid 122 and segid D)
) 3.0 3.0 0.0
!
assign ( resid 26 and segid C)
(
( resid 98 and segid D)
or
( resid 99 and segid D)
or
( resid 112 and segid D)
or
( resid 115 and segid D)
or
( resid 117 and segid D)
or
( resid 118 and segid D)
or
( resid 119 and segid D)
or
( resid 120 and segid D)
or
( resid 121 and segid D)
or
( resid 100 and segid D)
or
( resid 101 and segid D)
or
( resid 113 and segid D)
or
( resid 116 and segid D)
or
( resid 122 and segid D)
) 3.0 3.0 0.0
!
assign ( resid 30 and segid C)
(
( resid 98 and segid D)
or
( resid 99 and segid D)
or
( resid 112 and segid D)
or
( resid 115 and segid D)
or
( resid 117 and segid D)
or
( resid 118 and segid D)
or
( resid 119 and segid D)
or
( resid 120 and segid D)
or
( resid 121 and segid D)
or
( resid 100 and segid D)
or
( resid 101 and segid D)
or
( resid 113 and segid D)
or
( resid 116 and segid D)
or
( resid 122 and segid D)
) 3.0 3.0 0.0
!
assign ( resid 36 and segid C)
(
( resid 98 and segid D)
or
( resid 99 and segid D)
or
( resid 112 and segid D)
or
( resid 115 and segid D)
or
( resid 117 and segid D)
or
( resid 118 and segid D)
or
( resid 119 and segid D)
or
( resid 120 and segid D)
or
( resid 121 and segid D)
or
( resid 100 and segid D)
or
( resid 101 and segid D)
or
( resid 113 and segid D)
or
( resid 116 and segid D)
or
( resid 122 and segid D)
) 3.0 3.0 0.0
!
! HADDOCK AIR restraints for 4th molecule
!
!
assign ( resid 98 and segid D)
(
( resid 15 and segid C)
or
( resid 21 and segid C)
or
( resid 22 and segid C)
or
( resid 23 and segid C)
or
( resid 25 and segid C)
or
( resid 26 and segid C)
or
( resid 30 and segid C)
or
( resid 36 and segid C)
or
( resid 18 and segid C)
or
( resid 27 and segid C)
or
( resid 29 and segid C)
or
( resid 31 and segid C)
or
( resid 40 and segid C)
) 3.0 3.0 0.0
!
assign ( resid 99 and segid D)
(
( resid 15 and segid C)
or
( resid 21 and segid C)
or
( resid 22 and segid C)
or
( resid 23 and segid C)
or
( resid 25 and segid C)
or
( resid 26 and segid C)
or
( resid 30 and segid C)
or
( resid 36 and segid C)
or
( resid 18 and segid C)
or
( resid 27 and segid C)
or
( resid 29 and segid C)
or
( resid 31 and segid C)
or
( resid 40 and segid C)
) 3.0 3.0 0.0
!
assign ( resid 112 and segid D)
(
( resid 15 and segid C)
or
( resid 21 and segid C)
or
( resid 22 and segid C)
or
( resid 23 and segid C)
or
( resid 25 and segid C)
or
( resid 26 and segid C)
or
( resid 30 and segid C)
or
( resid 36 and segid C)
or
( resid 18 and segid C)
or
( resid 27 and segid C)
or
( resid 29 and segid C)
or
( resid 31 and segid C)
or
( resid 40 and segid C)
) 3.0 3.0 0.0
!
assign ( resid 115 and segid D)
(
( resid 15 and segid C)
or
( resid 21 and segid C)
or
( resid 22 and segid C)
or
( resid 23 and segid C)
or
( resid 25 and segid C)
or
( resid 26 and segid C)
or
( resid 30 and segid C)
or
( resid 36 and segid C)
or
( resid 18 and segid C)
or
( resid 27 and segid C)
or
( resid 29 and segid C)
or
( resid 31 and segid C)
or
( resid 40 and segid C)
) 3.0 3.0 0.0
!
assign ( resid 117 and segid D)
(
( resid 15 and segid C)
or
( resid 21 and segid C)
or
( resid 22 and segid C)
or
( resid 23 and segid C)
or
( resid 25 and segid C)
or
( resid 26 and segid C)
or
( resid 30 and segid C)
or
( resid 36 and segid C)
or
( resid 18 and segid C)
or
( resid 27 and segid C)
or
( resid 29 and segid C)
or
( resid 31 and segid C)
or
( resid 40 and segid C)
) 3.0 3.0 0.0
!
assign ( resid 118 and segid D)
(
( resid 15 and segid C)
or
( resid 21 and segid C)
or
( resid 22 and segid C)
or
( resid 23 and segid C)
or
( resid 25 and segid C)
or
( resid 26 and segid C)
or
( resid 30 and segid C)
or
( resid 36 and segid C)
or
( resid 18 and segid C)
or
( resid 27 and segid C)
or
( resid 29 and segid C)
or
( resid 31 and segid C)
or
( resid 40 and segid C)
) 3.0 3.0 0.0
!
assign ( resid 119 and segid D)
(
( resid 15 and segid C)
or
( resid 21 and segid C)
or
( resid 22 and segid C)
or
( resid 23 and segid C)
or
( resid 25 and segid C)
or
( resid 26 and segid C)
or
( resid 30 and segid C)
or
( resid 36 and segid C)
or
( resid 18 and segid C)
or
( resid 27 and segid C)
or
( resid 29 and segid C)
or
( resid 31 and segid C)
or
( resid 40 and segid C)
) 3.0 3.0 0.0
!
assign ( resid 120 and segid D)
(
( resid 15 and segid C)
or
( resid 21 and segid C)
or
( resid 22 and segid C)
or
( resid 23 and segid C)
or
( resid 25 and segid C)
or
( resid 26 and segid C)
or
( resid 30 and segid C)
or
( resid 36 and segid C)
or
( resid 18 and segid C)
or
( resid 27 and segid C)
or
( resid 29 and segid C)
or
( resid 31 and segid C)
or
( resid 40 and segid C)
) 3.0 3.0 0.0
!
assign ( resid 121 and segid D)
(
( resid 15 and segid C)
or
( resid 21 and segid C)
or
( resid 22 and segid C)
or
( resid 23 and segid C)
or
( resid 25 and segid C)
or
( resid 26 and segid C)
or
( resid 30 and segid C)
or
( resid 36 and segid C)
or
( resid 18 and segid C)
or
( resid 27 and segid C)
or
( resid 29 and segid C)
or
( resid 31 and segid C)
or
( resid 40 and segid C)
) 3.0 3.0 0.0
!
! HADDOCK AIR restraints for 5th molecule
!
!
! HADDOCK AIR restraints for 6th molecule
!
Contact the webmaster for help, if required. Sunday, May 5, 2024 12:59:42 PM GMT (wattos1)