Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1172 | 1ab3 RC | cing | 1-original | 1 | XPLOR/CNS | dihedral angle |
set message=off echo=off end
!
! Dihedral angle restraints for S15
!
! restraints dihedral
!
! Chi_1 dihedral angles from and
!
assign ( resid 6 and name N ) ( resid 6 and name CA )
( resid 6 and name CB ) ( resid 6 and name CG ) 1.0 -60.0 30.0 2
assign ( resid 14 and name N ) ( resid 14 and name CA )
( resid 14 and name CB ) ( resid 14 and name CG ) 1.0 -60.0 30.0 2
assign ( resid 25 and name N ) ( resid 25 and name CA )
( resid 25 and name CB ) ( resid 25 and name CG ) 1.0 -60.0 30.0 2
assign ( resid 30 and name N ) ( resid 30 and name CA )
( resid 30 and name CB ) ( resid 30 and name CG ) 1.0 60.0 30.0 2
assign ( resid 31 and name N ) ( resid 31 and name CA )
( resid 31 and name CB ) ( resid 31 and name CG ) 1.0 60.0 30.0 2
assign ( resid 42 and name N ) ( resid 42 and name CA )
( resid 42 and name CB ) ( resid 42 and name CG ) 1.0 -60.0 30.0 2
assign ( resid 45 and name N ) ( resid 45 and name CA )
( resid 45 and name CB ) ( resid 45 and name CG ) 1.0 -60.0 30.0 2
assign ( resid 56 and name N ) ( resid 56 and name CA )
( resid 56 and name CB ) ( resid 56 and name CG ) 1.0 -60.0 30.0 2
assign ( resid 87 and name N ) ( resid 87 and name CA )
( resid 87 and name CB ) ( resid 87 and name CG ) 1.0 -60.0 30.0 2
!
! Chi_1 dihedrals for Val, Ile and Thr (use larger tolerances )
!
! assign ( resid 65 and name N ) ( resid 65 and name CA )
! ( resid 65 and name CB ) ( resid 65 and name CG1 ) 1.0 -60.0 45.0 2
!
! Chi_2 dihedrals for Leu (use larger tolerances )
!
! assign ( resid 16 and name CA ) ( resid 16 and name CB )
! ( resid 16 and name CG ) ( resid 16 and name CD1 ) 1.0 180.0 45.0 2
!
! assign ( resid 17 and name CA ) ( resid 17 and name CB )
! ( resid 17 and name CG ) ( resid 17 and name CD1 ) 1.0 180.0 45.0 2
!
!
! Phi dihedral angles from hnha-951107
!
assign ( resid 3 and name C ) ( resid 4 and name N )
( resid 4 and name CA ) ( resid 4 and name C ) 1.0 -60.0 30.0 2
assign ( resid 4 and name C ) ( resid 5 and name N )
( resid 5 and name CA ) ( resid 5 and name C ) 1.0 -60.0 30.0 2
assign ( resid 5 and name C ) ( resid 6 and name N )
( resid 6 and name CA ) ( resid 6 and name C ) 1.0 -60.0 30.0 2
assign ( resid 7 and name C ) ( resid 8 and name N )
( resid 8 and name CA ) ( resid 8 and name C ) 1.0 -60.0 30.0 2
assign ( resid 9 and name C ) ( resid 10 and name N )
( resid 10 and name CA ) ( resid 10 and name C ) 1.0 -60.0 30.0 2
assign ( resid 11 and name C ) ( resid 12 and name N )
( resid 12 and name CA ) ( resid 12 and name C ) 1.0 -60.0 30.0 2
assign ( resid 12 and name C ) ( resid 13 and name N )
( resid 13 and name CA ) ( resid 13 and name C ) 1.0 -60.0 30.0 2
assign ( resid 19 and name C ) ( resid 20 and name N )
( resid 20 and name CA ) ( resid 20 and name C ) 1.0 -60.0 30.0 2
assign ( resid 20 and name C ) ( resid 21 and name N )
( resid 21 and name CA ) ( resid 21 and name C ) 1.0 -120.0 30.0 2
assign ( resid 27 and name C ) ( resid 28 and name N )
( resid 28 and name CA ) ( resid 28 and name C ) 1.0 -60.0 30.0 2
assign ( resid 28 and name C ) ( resid 29 and name N )
( resid 29 and name CA ) ( resid 29 and name C ) 1.0 -60.0 30.0 2
assign ( resid 30 and name C ) ( resid 31 and name N )
( resid 31 and name CA ) ( resid 31 and name C ) 1.0 -60.0 30.0 2
assign ( resid 31 and name C ) ( resid 32 and name N )
( resid 32 and name CA ) ( resid 32 and name C ) 1.0 -60.0 30.0 2
assign ( resid 32 and name C ) ( resid 33 and name N )
( resid 33 and name CA ) ( resid 33 and name C ) 1.0 -60.0 30.0 2
assign ( resid 34 and name C ) ( resid 35 and name N )
( resid 35 and name CA ) ( resid 35 and name C ) 1.0 -60.0 30.0 2
assign ( resid 37 and name C ) ( resid 38 and name N )
( resid 38 and name CA ) ( resid 38 and name C ) 1.0 -60.0 30.0 2
assign ( resid 38 and name C ) ( resid 39 and name N )
( resid 39 and name CA ) ( resid 39 and name C ) 1.0 -60.0 30.0 2
assign ( resid 40 and name C ) ( resid 41 and name N )
( resid 41 and name CA ) ( resid 41 and name C ) 1.0 -60.0 30.0 2
assign ( resid 41 and name C ) ( resid 42 and name N )
( resid 42 and name CA ) ( resid 42 and name C ) 1.0 -60.0 30.0 2
assign ( resid 42 and name C ) ( resid 43 and name N )
( resid 43 and name CA ) ( resid 43 and name C ) 1.0 -60.0 30.0 2
assign ( resid 52 and name C ) ( resid 53 and name N )
( resid 53 and name CA ) ( resid 53 and name C ) 1.0 -60.0 30.0 2
assign ( resid 54 and name C ) ( resid 55 and name N )
( resid 55 and name CA ) ( resid 55 and name C ) 1.0 -60.0 30.0 2
assign ( resid 68 and name C ) ( resid 69 and name N )
( resid 69 and name CA ) ( resid 69 and name C ) 1.0 -60.0 30.0 2
assign ( resid 69 and name C ) ( resid 70 and name N )
( resid 70 and name CA ) ( resid 70 and name C ) 1.0 -60.0 30.0 2
assign ( resid 75 and name C ) ( resid 76 and name N )
( resid 76 and name CA ) ( resid 76 and name C ) 1.0 -60.0 30.0 2
assign ( resid 80 and name C ) ( resid 81 and name N )
( resid 81 and name CA ) ( resid 81 and name C ) 1.0 -60.0 30.0 2
assign ( resid 85 and name C ) ( resid 86 and name N )
( resid 86 and name CA ) ( resid 86 and name C ) 1.0 -120.0 30.0 2
!
!added 960419 use larger tolerances, possibly not totally correct
assign ( resid 65 and name C ) ( resid 66 and name N )
( resid 66 and name CA ) ( resid 66 and name C ) 1.0 -60.0 40.0 2
assign ( resid 66 and name C ) ( resid 67 and name N )
( resid 67 and name CA ) ( resid 67 and name C ) 1.0 -60.0 40.0 2
!
!
end
set message=on echo=on end
set message=off echo=off end