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
587925 2mnq 19901 cing 1-original 1 XPLOR/CNS dihedral angle


!! { Dihedral Angle Restraints }
!!phi C(i-1)-N(i)-CA(i)-C(i)

! D2 
assign 
      (resid    1   and name C     )
      (resid    2   and name N     )
      (resid    2   and name CA    )
      (resid    2   and name C     )     1  -49.00  10.00 2	

! A3 
assign 
      (resid    2   and name C     )
      (resid    3   and name N     )
      (resid    3   and name CA    )
      (resid    3   and name C     )     1  -49.00  10.00 2	

! A4 
assign 
      (resid    3   and name C     )
      (resid    4   and name N     )
      (resid    4   and name CA    )
      (resid    4   and name C     )     1  -49.00  10.00 2	

! V5 
assign 
      (resid    4   and name C     )
      (resid    5   and name N     )
      (resid    5   and name CA    )
      (resid    5   and name C     )     1  -49.00  10.00 2	

! D6 
assign 
      (resid    5   and name C     )
      (resid    6   and name N     )
      (resid    6   and name CA    )
      (resid    6   and name C     )     1  -49.00  10.00 2	

! T7 
assign 
      (resid    6   and name C     )
      (resid    7   and name N     )
      (resid    7   and name CA    )
      (resid    7   and name C     )     1  -49.00  10.00 2	

! S8 
assign 
      (resid    7   and name C     )
      (resid    8   and name N     )
      (resid    8   and name CA    )
      (resid    8   and name C     )     1  -49.00  10.00 2	

! S9 
assign 
      (resid    8   and name C     )
      (resid    9   and name N     )
      (resid    9   and name CA    )
      (resid    9   and name C     )     1  -49.00  20.00 2	

! E10 
assign 
      (resid    9   and name C     )
      (resid    10   and name N     )
      (resid    10   and name CA    )
      (resid    10   and name C     )     1  -49.00  20.00 2	

! I11 
!assign 
      !(resid    10   and name C     )
      !(resid    11   and name N     )
      !(resid    11   and name CA    )
      !(resid    11   and name C     )     1  -49.00  20.00 2	

! T12 
!assign 
      !(resid    11   and name C     )
      !(resid    12   and name N     )
      !(resid    12   and name CA    )
      !(resid    12   and name C     )     1  -63.30  20.00 2	

! T13 
assign 
      (resid    12   and name C     )
      (resid    13   and name N     )
      (resid    13   and name CA    )
      (resid    13   and name C     )     1  -66.41  20.00 2	

! K14 
assign 
      (resid    13   and name C     )
      (resid    14   and name N     )
      (resid    14   and name CA    )
      (resid    14   and name C     )     1  -64.18  10.00 2	

! D15 
assign 
      (resid    14   and name C     )
      (resid    15   and name N     )
      (resid    15   and name CA    )
      (resid    15   and name C     )     1  -64.42  10.00 2	

! L16 
assign 
      (resid    15   and name C     )
      (resid    16   and name N     )
      (resid    16   and name CA    )
      (resid    16   and name C     )     1  -65.44  10.00 2	

! K17 
assign 
      (resid    16   and name C     )
      (resid    17   and name N     )
      (resid    17   and name CA    )
      (resid    17   and name C     )     1  -58.67  10.00 2	

! E18 
assign 
      (resid    17   and name C     )
      (resid    18   and name N     )
      (resid    18   and name CA    )
      (resid    18   and name C     )     1  -65.92  10.00 2	

! K19 
assign 
      (resid    18   and name C     )
      (resid    19   and name N     )
      (resid    19   and name CA    )
      (resid    19   and name C     )     1  -62.95  10.00 2	

! K20 
assign 
      (resid    19   and name C     )
      (resid    20   and name N     )
      (resid    20   and name CA    )
      (resid    20   and name C     )     1  -63.95  10.00 2	

! E21 
assign 
      (resid    20   and name C     )
      (resid    21   and name N     )
      (resid    21   and name CA    )
      (resid    21   and name C     )     1  -63.62  10.00 2	

! V22 
assign 
      (resid    21   and name C     )
      (resid    22   and name N     )
      (resid    22   and name CA    )
      (resid    22   and name C     )     1  -49.00  10.00 2	

! V23 
assign 
      (resid    22   and name C     )
      (resid    23   and name N     )
      (resid    23   and name CA    )
      (resid    23   and name C     )     1  -49.00  10.00 2	

! E24 
assign 
      (resid    23   and name C     )
      (resid    24   and name N     )
      (resid    24   and name CA    )
      (resid    24   and name C     )     1  -49.00  10.00 2	

! E25 
assign 
      (resid    24   and name C     )
      (resid    25   and name N     )
      (resid    25   and name CA    )
      (resid    25   and name C     )     1  -49.00  10.00 2	

! A26 
assign 
      (resid    25   and name C     )
      (resid    26   and name N     )
      (resid    26   and name CA    )
      (resid    26   and name C     )     1  -49.00  20.00 2	

! E27 
assign 
      (resid    26   and name C     )
      (resid    27   and name N     )
      (resid    27   and name CA    )
      (resid    27   and name C     )     1  -49.00  30.00 2

!! { Dihedral Angle Restraints }
!!psi N(i)-CA(i)-C(i)-N(i+1)

! D2 
assign 
      (resid    2   and name N     )
      (resid    2   and name CA    )
      (resid    2   and name C     )
      (resid    3   and name N     )      1  -26.00  11.00 2	

! A3 
assign 
      (resid    3   and name N     )
      (resid    3   and name CA    )
      (resid    3   and name C     )
      (resid    4   and name N     )      1  -26.00  11.00 2	

! A4 
assign 
      (resid    4   and name N     )
      (resid    4   and name CA    )
      (resid    4   and name C     )
      (resid    5   and name N     )      1  -26.00  11.00 2	

! V5 
assign 
      (resid    5   and name N     )
      (resid    5   and name CA    )
      (resid    5   and name C     )
      (resid    6   and name N     )      1  -26.00  11.00 2	

! D6 
assign 
      (resid    6   and name N     )
      (resid    6   and name CA    )
      (resid    6   and name C     )
      (resid    7   and name N     )      1  -26.00  11.00 2	

! T7 
assign 
      (resid    7   and name N     )
      (resid    7   and name CA    )
      (resid    7   and name C     )
      (resid    8   and name N     )      1  -26.00  11.00 2	

! S8 
assign 
      (resid    8   and name N     )
      (resid    8   and name CA    )
      (resid    8   and name C     )
      (resid    9   and name N     )      1  -26.00  11.00 2	

! S9 
assign 
      (resid    9   and name N     )
      (resid    9   and name CA    )
      (resid    9   and name C     )
      (resid    10   and name N     )      1  -26.00  21.00 2	

! E10 
!assign 
      !(resid    10   and name N     )
      !(resid    10   and name CA    )
      !(resid    10   and name C     )
      !(resid    11   and name N     )      1  -26.00  21.00 2	

! I11 
!assign 
      !(resid    11   and name N     )
      !(resid    11   and name CA    )
      !(resid    11   and name C     )
      !(resid    12   and name N     )      1  -26.00  21.00 2	

! T12 
!assign 
      !(resid    12   and name N     )
      !(resid    12   and name CA    )
      !(resid    12   and name C     )
      !(resid    13   and name N     )      1  -35.59  21.00 2	

! T13 
assign 
      (resid    13   and name N     )
      (resid    13   and name CA    )
      (resid    13   and name C     )
      (resid    14   and name N     )      1  -41.09  21.00 2	

! K14 
assign 
      (resid    14   and name N     )
      (resid    14   and name CA    )
      (resid    14   and name C     )
      (resid    15   and name N     )      1  -41.13  11.00 2	

! D15 
assign 
      (resid    15   and name N     )
      (resid    15   and name CA    )
      (resid    15   and name C     )
      (resid    16   and name N     )      1  -38.92  11.00 2	

! L16 
assign 
      (resid    16   and name N     )
      (resid    16   and name CA    )
      (resid    16   and name C     )
      (resid    17   and name N     )      1  -42.22  11.00 2	

! K17 
assign 
      (resid    17   and name N     )
      (resid    17   and name CA    )
      (resid    17   and name C     )
      (resid    18   and name N     )      1  -44.07  11.00 2	

! E18 
assign 
      (resid    18   and name N     )
      (resid    18   and name CA    )
      (resid    18   and name C     )
      (resid    19   and name N     )      1  -41.57  11.00 2	

! K19 
assign 
      (resid    19   and name N     )
      (resid    19   and name CA    )
      (resid    19   and name C     )
      (resid    20   and name N     )      1  -39.77  11.00 2	

! K20 
assign 
      (resid    20   and name N     )
      (resid    20   and name CA    )
      (resid    20   and name C     )
      (resid    21   and name N     )      1  -41.44  11.00 2	

! E21 
assign 
      (resid    21   and name N     )
      (resid    21   and name CA    )
      (resid    21   and name C     )
      (resid    22   and name N     )      1  -42.54  11.00 2	

! V22 
assign 
      (resid    22   and name N     )
      (resid    22   and name CA    )
      (resid    22   and name C     )
      (resid    23   and name N     )      1  -26.00  11.00 2	

! V23 
assign 
      (resid    23   and name N     )
      (resid    23   and name CA    )
      (resid    23   and name C     )
      (resid    24   and name N     )      1  -26.00  11.00 2	

! E24 
assign 
      (resid    24   and name N     )
      (resid    24   and name CA    )
      (resid    24   and name C     )
      (resid    25   and name N     )      1  -26.00  11.00 2	

! E25 
assign 
      (resid    25   and name N     )
      (resid    25   and name CA    )
      (resid    25   and name C     )
      (resid    26   and name N     )      1  -26.00  11.00 2	

! A26 
assign 
      (resid    26   and name N     )
      (resid    26   and name CA    )
      (resid    26   and name C     )
      (resid    27   and name N     )      1  -26.00  21.00 2	

! E27 
assign 
      (resid    27   and name N     )
      (resid    27   and name CA    )
      (resid    27   and name C     )
      (resid    28   and name N     )      1  -26.00  32.00 2
end

set message=on echo=on end	






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

Contact the webmaster for help, if required. Tuesday, June 11, 2024 12:47:14 PM GMT (wattos1)