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
605013 2nbv 25995 cing 1-original 3 HADDOCK distance NOE ambi 

!Ambiguous Interaction Restraints (AIRs)
!
! HADDOCK AIR restraints for 1st molecule
!
!
assign ( resid 55  and segid A)
       (
        ( resid 78  and segid B)
     or
        ( resid 79  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 99  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 77  and segid B)
     or
        ( resid 84  and segid B)
     or
        ( resid 97  and segid B)
     or
        ( resid 101  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 76  and segid A)
       (
        ( resid 78  and segid B)
     or
        ( resid 79  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 99  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 77  and segid B)
     or
        ( resid 84  and segid B)
     or
        ( resid 97  and segid B)
     or
        ( resid 101  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 79  and segid A)
       (
        ( resid 78  and segid B)
     or
        ( resid 79  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 99  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 77  and segid B)
     or
        ( resid 84  and segid B)
     or
        ( resid 97  and segid B)
     or
        ( resid 101  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 101  and segid A)
       (
        ( resid 78  and segid B)
     or
        ( resid 79  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 99  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 77  and segid B)
     or
        ( resid 84  and segid B)
     or
        ( resid 97  and segid B)
     or
        ( resid 101  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 104  and segid A)
       (
        ( resid 78  and segid B)
     or
        ( resid 79  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 99  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 77  and segid B)
     or
        ( resid 84  and segid B)
     or
        ( resid 97  and segid B)
     or
        ( resid 101  and segid B)
       )  2.0 2.0 0.0
!
! HADDOCK AIR restraints for 2nd molecule
!
!
assign ( resid 78  and segid B)
       (
        ( resid 55  and segid A)
     or
        ( resid 76  and segid A)
     or
        ( resid 79  and segid A)
     or
        ( resid 101  and segid A)
     or
        ( resid 104  and segid A)
     or
        ( resid 53  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 74  and segid A)
     or
        ( resid 77  and segid A)
     or
        ( resid 78  and segid A)
     or
        ( resid 81  and segid A)
     or
        ( resid 99  and segid A)
     or
        ( resid 100  and segid A)
     or
        ( resid 102  and segid A)
     or
        ( resid 103  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 79  and segid B)
       (
        ( resid 55  and segid A)
     or
        ( resid 76  and segid A)
     or
        ( resid 79  and segid A)
     or
        ( resid 101  and segid A)
     or
        ( resid 104  and segid A)
     or
        ( resid 53  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 74  and segid A)
     or
        ( resid 77  and segid A)
     or
        ( resid 78  and segid A)
     or
        ( resid 81  and segid A)
     or
        ( resid 99  and segid A)
     or
        ( resid 100  and segid A)
     or
        ( resid 102  and segid A)
     or
        ( resid 103  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 80  and segid B)
       (
        ( resid 55  and segid A)
     or
        ( resid 76  and segid A)
     or
        ( resid 79  and segid A)
     or
        ( resid 101  and segid A)
     or
        ( resid 104  and segid A)
     or
        ( resid 53  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 74  and segid A)
     or
        ( resid 77  and segid A)
     or
        ( resid 78  and segid A)
     or
        ( resid 81  and segid A)
     or
        ( resid 99  and segid A)
     or
        ( resid 100  and segid A)
     or
        ( resid 102  and segid A)
     or
        ( resid 103  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 99  and segid B)
       (
        ( resid 55  and segid A)
     or
        ( resid 76  and segid A)
     or
        ( resid 79  and segid A)
     or
        ( resid 101  and segid A)
     or
        ( resid 104  and segid A)
     or
        ( resid 53  and segid A)
     or
        ( resid 54  and segid A)
     or
        ( resid 74  and segid A)
     or
        ( resid 77  and segid A)
     or
        ( resid 78  and segid A)
     or
        ( resid 81  and segid A)
     or
        ( resid 99  and segid A)
     or
        ( resid 100  and segid A)
     or
        ( resid 102  and segid A)
     or
        ( resid 103  and segid A)
       )  2.0 2.0 0.0
!

Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Thursday, May 2, 2024 11:18:12 AM GMT (wattos1)