NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
585187 |
2mna   |
19095 | cing | 1-original | 3 | HADDOCK | distance | NOE | ambi |
!ambig.tbl
!
! HADDOCK AIR restraints for ssoSSB
!
!
assign ( resid 28 and segid A and (name HE* or name HH*))
(
( resid 1 and segid B and (name O* or name N*))
or
( resid 2 and segid B and (name O* or name N*))
or
( resid 3 and segid B and (name O* or name N*))
or
( resid 4 and segid B and (name O* or name N*))
or
( resid 5 and segid B and (name O* or name N*))
or
( resid 6 and segid B and (name O* or name N*))
) 2.0 2.0 0.0
!
assign ( resid 37 and segid A and (name HE* or name HH*))
(
( resid 1 and segid B and (name O* or name N*))
or
( resid 2 and segid B and (name O* or name N*))
or
( resid 3 and segid B and (name O* or name N*))
or
( resid 4 and segid B and (name O* or name N*))
or
( resid 5 and segid B and (name O* or name N*))
or
( resid 6 and segid B and (name O* or name N*))
) 2.0 2.0 0.0
!
assign ( resid 54 and segid A and name HG*)
(
( resid 1 and segid B and (name O* or name N*))
or
( resid 2 and segid B and (name O* or name N*))
or
( resid 3 and segid B and (name O* or name N*))
or
( resid 4 and segid B and (name O* or name N*))
or
( resid 5 and segid B and (name O* or name N*))
or
( resid 6 and segid B and (name O* or name N*))
) 2.0 2.0 0.0
!
assign ( resid 84 and segid A and name HZ*)
(
( resid 1 and segid B and (name O* or name N*))
or
( resid 2 and segid B and (name O* or name N*))
or
( resid 3 and segid B and (name O* or name N*))
or
( resid 4 and segid B and (name O* or name N*))
or
( resid 5 and segid B and (name O* or name N*))
or
( resid 6 and segid B and (name O* or name N*))
) 2.0 2.0 0.0
!
assign ( resid 86 and segid A and name HD*)
(
( resid 1 and segid B and (name O* or name N*))
or
( resid 2 and segid B and (name O* or name N*))
or
( resid 3 and segid B and (name O* or name N*))
or
( resid 4 and segid B and (name O* or name N*))
or
( resid 5 and segid B and (name O* or name N*))
or
( resid 6 and segid B and (name O* or name N*))
) 2.0 2.0 0.0
!
assign ( resid 90 and segid A and name HZ*)
(
( resid 1 and segid B and (name O* or name N*))
or
( resid 2 and segid B and (name O* or name N*))
or
( resid 3 and segid B and (name O* or name N*))
or
( resid 4 and segid B and (name O* or name N*))
or
( resid 5 and segid B and (name O* or name N*))
or
( resid 6 and segid B and (name O* or name N*))
) 2.0 2.0 0.0
!
! HADDOCK AIR restraints for ssDNA
!
!
assign ( resid 1 and segid B)
(
( resid 28 and segid A)
or
( resid 37 and segid A)
or
( resid 54 and segid A)
or
( resid 56 and segid A)
or
( resid 75 and segid A)
or
( resid 79 and segid A)
or
( resid 84 and segid A)
or
( resid 86 and segid A)
or
( resid 90 and segid A)
) 2.0 2.0 0.0
!
assign ( resid 2 and segid B)
(
( resid 28 and segid A)
or
( resid 37 and segid A)
or
( resid 54 and segid A)
or
( resid 56 and segid A)
or
( resid 75 and segid A)
or
( resid 79 and segid A)
or
( resid 84 and segid A)
or
( resid 86 and segid A)
or
( resid 90 and segid A)
) 2.0 2.0 0.0
!
assign ( resid 3 and segid B)
(
( resid 28 and segid A)
or
( resid 37 and segid A)
or
( resid 54 and segid A)
or
( resid 56 and segid A)
or
( resid 75 and segid A)
or
( resid 79 and segid A)
or
( resid 84 and segid A)
or
( resid 86 and segid A)
or
( resid 90 and segid A)
) 2.0 2.0 0.0
!
assign ( resid 4 and segid B)
(
( resid 28 and segid A)
or
( resid 37 and segid A)
or
( resid 54 and segid A)
or
( resid 56 and segid A)
or
( resid 75 and segid A)
or
( resid 79 and segid A)
or
( resid 84 and segid A)
or
( resid 86 and segid A)
or
( resid 90 and segid A)
) 2.0 2.0 0.0
!
assign ( resid 5 and segid B)
(
( resid 28 and segid A)
or
( resid 37 and segid A)
or
( resid 54 and segid A)
or
( resid 56 and segid A)
or
( resid 75 and segid A)
or
( resid 79 and segid A)
or
( resid 84 and segid A)
or
( resid 86 and segid A)
or
( resid 90 and segid A)
) 2.0 2.0 0.0
!
assign ( resid 6 and segid B)
(
( resid 28 and segid A)
or
( resid 37 and segid A)
or
( resid 54 and segid A)
or
( resid 56 and segid A)
or
( resid 75 and segid A)
or
( resid 79 and segid A)
or
( resid 84 and segid A)
or
( resid 86 and segid A)
or
( resid 90 and segid A)
) 2.0 2.0 0.0
!
!
! base stacking between THY2/W75, THY3/W56 and THY5/Y79
!
!
assign ( resid 2 and segid B and name N1)
(
( resid 75 and segid A and name CD2)
or
( resid 75 and segid A and name CE2)
or
( resid 75 and segid A and name CE3)
or
( resid 75 and segid A and name CZ2)
or
( resid 75 and segid A and name CZ3)
or
( resid 75 and segid A and name CH2)
) 2.0 2.0 0.0
!
assign ( resid 2 and segid B and name C2)
(
( resid 75 and segid A and name CD2)
or
( resid 75 and segid A and name CE2)
or
( resid 75 and segid A and name CE3)
or
( resid 75 and segid A and name CZ2)
or
( resid 75 and segid A and name CZ3)
or
( resid 75 and segid A and name CH2)
) 2.0 2.0 0.0
!
assign ( resid 2 and segid B and name N3)
(
( resid 75 and segid A and name CD2)
or
( resid 75 and segid A and name CE2)
or
( resid 75 and segid A and name CE3)
or
( resid 75 and segid A and name CZ2)
or
( resid 75 and segid A and name CZ3)
or
( resid 75 and segid A and name CH2)
) 2.0 2.0 0.0
!
assign ( resid 2 and segid B and name C4)
(
( resid 75 and segid A and name CD2)
or
( resid 75 and segid A and name CE2)
or
( resid 75 and segid A and name CE3)
or
( resid 75 and segid A and name CZ2)
or
( resid 75 and segid A and name CZ3)
or
( resid 75 and segid A and name CH2)
) 2.0 2.0 0.0
!
assign ( resid 2 and segid B and name C5)
(
( resid 75 and segid A and name CD2)
or
( resid 75 and segid A and name CE2)
or
( resid 75 and segid A and name CE3)
or
( resid 75 and segid A and name CZ2)
or
( resid 75 and segid A and name CZ3)
or
( resid 75 and segid A and name CH2)
) 2.0 2.0 0.0
!
assign ( resid 2 and segid B and name C6)
(
( resid 75 and segid A and name CD2)
or
( resid 75 and segid A and name CE2)
or
( resid 75 and segid A and name CE3)
or
( resid 75 and segid A and name CZ2)
or
( resid 75 and segid A and name CZ3)
or
( resid 75 and segid A and name CH2)
) 2.0 2.0 0.0
!
assign ( resid 3 and segid B and name N1)
(
( resid 56 and segid A and name CD2)
or
( resid 56 and segid A and name CE2)
or
( resid 56 and segid A and name CE3)
or
( resid 56 and segid A and name CZ2)
or
( resid 56 and segid A and name CZ3)
or
( resid 56 and segid A and name CH2)
) 2.0 2.0 0.0
!
assign ( resid 3 and segid B and name C2)
(
( resid 56 and segid A and name CD2)
or
( resid 56 and segid A and name CE2)
or
( resid 56 and segid A and name CE3)
or
( resid 56 and segid A and name CZ2)
or
( resid 56 and segid A and name CZ3)
or
( resid 56 and segid A and name CH2)
) 2.0 2.0 0.0
!
assign ( resid 3 and segid B and name N3)
(
( resid 56 and segid A and name CD2)
or
( resid 56 and segid A and name CE2)
or
( resid 56 and segid A and name CE3)
or
( resid 56 and segid A and name CZ2)
or
( resid 56 and segid A and name CZ3)
or
( resid 56 and segid A and name CH2)
) 2.0 2.0 0.0
!
assign ( resid 3 and segid B and name C4)
(
( resid 56 and segid A and name CD2)
or
( resid 56 and segid A and name CE2)
or
( resid 56 and segid A and name CE3)
or
( resid 56 and segid A and name CZ2)
or
( resid 56 and segid A and name CZ3)
or
( resid 56 and segid A and name CH2)
) 2.0 2.0 0.0
!
assign ( resid 3 and segid B and name C5)
(
( resid 56 and segid A and name CD2)
or
( resid 56 and segid A and name CE2)
or
( resid 56 and segid A and name CE3)
or
( resid 56 and segid A and name CZ2)
or
( resid 56 and segid A and name CZ3)
or
( resid 56 and segid A and name CH2)
) 2.0 2.0 0.0
!
assign ( resid 3 and segid B and name C6)
(
( resid 56 and segid A and name CD2)
or
( resid 56 and segid A and name CE2)
or
( resid 56 and segid A and name CE3)
or
( resid 56 and segid A and name CZ2)
or
( resid 56 and segid A and name CZ3)
or
( resid 56 and segid A and name CH2)
) 2.0 2.0 0.0
!
assign ( resid 5 and segid B and name N1)
(
( resid 79 and segid A and name CG)
or
( resid 79 and segid A and name CD1)
or
( resid 79 and segid A and name CD2)
or
( resid 79 and segid A and name CE1)
or
( resid 79 and segid A and name CE2)
or
( resid 79 and segid A and name CZ)
) 2.0 2.0 0.0
!
assign ( resid 5 and segid B and name C2)
(
( resid 79 and segid A and name CG)
or
( resid 79 and segid A and name CD1)
or
( resid 79 and segid A and name CD2)
or
( resid 79 and segid A and name CE1)
or
( resid 79 and segid A and name CE2)
or
( resid 79 and segid A and name CZ)
) 2.0 2.0 0.0
!
assign ( resid 5 and segid B and name N3)
(
( resid 79 and segid A and name CG)
or
( resid 79 and segid A and name CD1)
or
( resid 79 and segid A and name CD2)
or
( resid 79 and segid A and name CE1)
or
( resid 79 and segid A and name CE2)
or
( resid 79 and segid A and name CZ)
) 2.0 2.0 0.0
!
assign ( resid 5 and segid B and name C4)
(
( resid 79 and segid A and name CG)
or
( resid 79 and segid A and name CD1)
or
( resid 79 and segid A and name CD2)
or
( resid 79 and segid A and name CE1)
or
( resid 79 and segid A and name CE2)
or
( resid 79 and segid A and name CZ)
) 2.0 2.0 0.0
!
assign ( resid 5 and segid B and name C5)
(
( resid 79 and segid A and name CG)
or
( resid 79 and segid A and name CD1)
or
( resid 79 and segid A and name CD2)
or
( resid 79 and segid A and name CE1)
or
( resid 79 and segid A and name CE2)
or
( resid 79 and segid A and name CZ)
) 2.0 2.0 0.0
!
assign ( resid 5 and segid B and name C6)
(
( resid 79 and segid A and name CG)
or
( resid 79 and segid A and name CD1)
or
( resid 79 and segid A and name CD2)
or
( resid 79 and segid A and name CE1)
or
( resid 79 and segid A and name CE2)
or
( resid 79 and segid A and name CZ)
) 2.0 2.0 0.0
!
assign ( resid 75 and segid A and name CD2)
(
( resid 2 and segid B and name N1)
or
( resid 2 and segid B and name C2)
or
( resid 2 and segid B and name N3)
or
( resid 2 and segid B and name C4)
or
( resid 2 and segid B and name C5)
or
( resid 2 and segid B and name C6)
) 2.0 2.0 0.0
!
assign ( resid 75 and segid A and name CE2)
(
( resid 2 and segid B and name N1)
or
( resid 2 and segid B and name C2)
or
( resid 2 and segid B and name N3)
or
( resid 2 and segid B and name C4)
or
( resid 2 and segid B and name C5)
or
( resid 2 and segid B and name C6)
) 2.0 2.0 0.0
!
assign ( resid 75 and segid A and name CE3)
(
( resid 2 and segid B and name N1)
or
( resid 2 and segid B and name C2)
or
( resid 2 and segid B and name N3)
or
( resid 2 and segid B and name C4)
or
( resid 2 and segid B and name C5)
or
( resid 2 and segid B and name C6)
) 2.0 2.0 0.0
!
assign ( resid 75 and segid A and name CZ2)
(
( resid 2 and segid B and name N1)
or
( resid 2 and segid B and name C2)
or
( resid 2 and segid B and name N3)
or
( resid 2 and segid B and name C4)
or
( resid 2 and segid B and name C5)
or
( resid 2 and segid B and name C6)
) 2.0 2.0 0.0
!
assign ( resid 75 and segid A and name CZ3)
(
( resid 2 and segid B and name N1)
or
( resid 2 and segid B and name C2)
or
( resid 2 and segid B and name N3)
or
( resid 2 and segid B and name C4)
or
( resid 2 and segid B and name C5)
or
( resid 2 and segid B and name C6)
) 2.0 2.0 0.0
!
assign ( resid 75 and segid A and name CH2)
(
( resid 2 and segid B and name N1)
or
( resid 2 and segid B and name C2)
or
( resid 2 and segid B and name N3)
or
( resid 2 and segid B and name C4)
or
( resid 2 and segid B and name C5)
or
( resid 2 and segid B and name C6)
) 2.0 2.0 0.0
!
assign ( resid 56 and segid A and name CD2)
(
( resid 3 and segid B and name N1)
or
( resid 3 and segid B and name C2)
or
( resid 3 and segid B and name N3)
or
( resid 3 and segid B and name C4)
or
( resid 3 and segid B and name C5)
or
( resid 3 and segid B and name C6)
) 2.0 2.0 0.0
!
assign ( resid 56 and segid A and name CE2)
(
( resid 3 and segid B and name N1)
or
( resid 3 and segid B and name C2)
or
( resid 3 and segid B and name N3)
or
( resid 3 and segid B and name C4)
or
( resid 3 and segid B and name C5)
or
( resid 3 and segid B and name C6)
) 2.0 2.0 0.0
!
assign ( resid 56 and segid A and name CE3)
(
( resid 3 and segid B and name N1)
or
( resid 3 and segid B and name C2)
or
( resid 3 and segid B and name N3)
or
( resid 3 and segid B and name C4)
or
( resid 3 and segid B and name C5)
or
( resid 3 and segid B and name C6)
) 2.0 2.0 0.0
!
assign ( resid 56 and segid A and name CZ2)
(
( resid 3 and segid B and name N1)
or
( resid 3 and segid B and name C2)
or
( resid 3 and segid B and name N3)
or
( resid 3 and segid B and name C4)
or
( resid 3 and segid B and name C5)
or
( resid 3 and segid B and name C6)
) 2.0 2.0 0.0
!
assign ( resid 56 and segid A and name CZ3)
(
( resid 3 and segid B and name N1)
or
( resid 3 and segid B and name C2)
or
( resid 3 and segid B and name N3)
or
( resid 3 and segid B and name C4)
or
( resid 3 and segid B and name C5)
or
( resid 3 and segid B and name C6)
) 2.0 2.0 0.0
!
assign ( resid 56 and segid A and name CH2)
(
( resid 3 and segid B and name N1)
or
( resid 3 and segid B and name C2)
or
( resid 3 and segid B and name N3)
or
( resid 3 and segid B and name C4)
or
( resid 3 and segid B and name C5)
or
( resid 3 and segid B and name C6)
) 2.0 2.0 0.0
!
assign ( resid 79 and segid A and name CG)
(
( resid 5 and segid B and name N1)
or
( resid 5 and segid B and name C2)
or
( resid 5 and segid B and name N3)
or
( resid 5 and segid B and name C4)
or
( resid 5 and segid B and name C5)
or
( resid 5 and segid B and name C6)
) 2.0 2.0 0.0
!
assign ( resid 79 and segid A and name CD1)
(
( resid 5 and segid B and name N1)
or
( resid 5 and segid B and name C2)
or
( resid 5 and segid B and name N3)
or
( resid 5 and segid B and name C4)
or
( resid 5 and segid B and name C5)
or
( resid 5 and segid B and name C6)
) 2.0 2.0 0.0
!
assign ( resid 79 and segid A and name CD2)
(
( resid 5 and segid B and name N1)
or
( resid 5 and segid B and name C2)
or
( resid 5 and segid B and name N3)
or
( resid 5 and segid B and name C4)
or
( resid 5 and segid B and name C5)
or
( resid 5 and segid B and name C6)
) 2.0 2.0 0.0
!
assign ( resid 79 and segid A and name CE1)
(
( resid 5 and segid B and name N1)
or
( resid 5 and segid B and name C2)
or
( resid 5 and segid B and name N3)
or
( resid 5 and segid B and name C4)
or
( resid 5 and segid B and name C5)
or
( resid 5 and segid B and name C6)
) 2.0 2.0 0.0
!
assign ( resid 79 and segid A and name CE2)
(
( resid 5 and segid B and name N1)
or
( resid 5 and segid B and name C2)
or
( resid 5 and segid B and name N3)
or
( resid 5 and segid B and name C4)
or
( resid 5 and segid B and name C5)
or
( resid 5 and segid B and name C6)
) 2.0 2.0 0.0
!
assign ( resid 79 and segid A and name CZ)
(
( resid 5 and segid B and name N1)
or
( resid 5 and segid B and name C2)
or
( resid 5 and segid B and name N3)
or
( resid 5 and segid B and name C4)
or
( resid 5 and segid B and name C5)
or
( resid 5 and segid B and name C6)
) 2.0 2.0 0.0
!
Contact the webmaster for help, if required. Thursday, May 9, 2024 12:06:56 AM GMT (wattos1)