NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage position program type
23791 2jyd cing 1-original 1 XPLOR/CNS dihedral angle 

! dihedrals
!    10 J= 5.07
assign (resid    9 and name C ) (resid    10 and name N )
       (resid   10 and name CA) (resid    10 and name C )  1.00  -60.00   40.00   2

!    16 J= 9.28
assign (resid   15 and name C ) (resid    16 and name N )
       (resid   16 and name CA) (resid    16 and name C )  1.00  -120.00   40.00   2

!    22 J= 9.76
assign (resid   21 and name C ) (resid    22 and name N )
       (resid   22 and name CA) (resid    22 and name C )  1.00  -120.00   40.00   2

!    30 J= 8.85
assign (resid   29 and name C ) (resid    30 and name N )
       (resid   30 and name CA) (resid    30 and name C )  1.00  -120.00   40.00   2

!    31 J= 10.37
assign (resid   30 and name C ) (resid    31 and name N )
       (resid   31 and name CA) (resid    31 and name C )  1.00  -120.00   40.00   2

!    33 J= 8.40
assign (resid   32 and name C ) (resid    33 and name N )
       (resid   33 and name CA) (resid    33 and name C )  1.00  -120.00   40.00   2

!    34 J= 8.95
assign (resid   33 and name C ) (resid    34 and name N )
       (resid   34 and name CA) (resid    34 and name C )  1.00  -120.00   40.00   2

!    37 J= 3.43
assign (resid   36 and name C ) (resid    37 and name N )
       (resid   37 and name CA) (resid    37 and name C )  1.00  -60.00   40.00   2

!    39 J= 1.29
assign (resid   38 and name C ) (resid    39 and name N )
       (resid   39 and name CA) (resid    39 and name C )  1.00  -60.00   40.00   2

!    10 J= 5.07
assign (resid    9 and name C ) (resid    10 and name N )
       (resid   10 and name CA) (resid    10 and name C )  1.00  -60.00   40.00   2


! from stereospecific stuff
! CHI1 180 or CHI2 180
assign (resid   17 and name CG ) (resid   17 and name CB )
       (resid   17 and name CA) (resid   17 and name N )  1.00  -180.00   30.00   2

assign (resid   9 and name CG ) (resid   9 and name CB )
       (resid   9 and name CA) (resid   9 and name N )  1.00  -180.00   30.00   2

! CHI1 -60
assign (resid   22 and name CG ) (resid   22 and name CB )
       (resid   22 and name CA) (resid   22 and name N )  1.00  -60.00   30.00   2

assign (resid   26 and name CG ) (resid   26 and name CB )
       (resid   26 and name CA) (resid   26 and name N )  1.00  -60.00   30.00   2

assign (resid   27 and name CG ) (resid   27 and name CB )
       (resid   27 and name CA) (resid   27 and name N )  1.00  -60.00   30.00   2

assign (resid   38 and name CG ) (resid   38 and name CB )
       (resid   38 and name CA) (resid   38 and name N )  1.00  -60.00   30.00   2

! CHI1 60
assign (resid  12 and name CG)  (resid  12 and name CB )
       (resid  12 and name CA)  (resid  12 and name N  )  1.00  60.00   30.00   2

assign (resid  18 and name CG)  (resid  18 and name CB )
       (resid  18 and name CA)  (resid  18 and name N  )  1.00  60.00   30.00   2

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 12:02:58 PM GMT (wattos1)