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

567570 2lzw 18781 cing 1-original 2 XPLOR/CNS dihedral angle
!-------------------------------------------------------------------------------------------------

!TORSION ANGLE CONSTRAINTS 

!torsion restraints on beta
assign  (segid A and resid  2 and name   p ) (segid A and resid  2 and name  o5')
        (segid A and resid  2 and name  c5') (segid A and resid  2 and name  c4') 1.0 180.0 30.0 2
assign  (segid A and resid  3 and name   p ) (segid A and resid  3 and name  o5')
        (segid A and resid  3 and name  c5') (segid A and resid  3 and name  c4') 1.0 180.0 30.0 2
assign  (segid A and resid  4 and name   p ) (segid A and resid  4 and name  o5')
        (segid A and resid  4 and name  c5') (segid A and resid  4 and name  c4') 1.0 180.0 30.0 2
assign  (segid A and resid  5 and name   p ) (segid A and resid  5 and name  o5')
        (segid A and resid  5 and name  c5') (segid A and resid  5 and name  c4') 1.0 180.0 30.0 2
assign  (segid A and resid  6 and name   p ) (segid A and resid  6 and name  o5')
        (segid A and resid  6 and name  c5') (segid A and resid  6 and name  c4') 1.0 180.0 30.0 2
assign  (segid A and resid  7 and name   p ) (segid A and resid  7 and name  o5')
        (segid A and resid  7 and name  c5') (segid A and resid  7 and name  c4') 1.0 180.0 30.0 2
assign  (segid A and resid  8 and name   p ) (segid A and resid  8 and name  o5')
        (segid A and resid  8 and name  c5') (segid A and resid  8 and name  c4') 1.0 180.0 30.0 2
assign  (segid A and resid  9 and name   p ) (segid A and resid  9 and name  o5')                 
        (segid A and resid  9 and name  c5') (segid A and resid  9 and name  c4') 1.0 180.0 30.0 2
assign  (segid A and resid 10 and name   p ) (segid A and resid 10 and name  o5')
        (segid A and resid 10 and name  c5') (segid A and resid 10 and name  c4') 1.0 180.0 30.0 2
assign  (segid A and resid 11 and name   p ) (segid A and resid 11 and name  o5')
        (segid A and resid 11 and name  c5') (segid A and resid 11 and name  c4') 1.0 180.0 30.0 2

!torsion restraints on gamma
assign (segid A and resid 1 and name o5') (segid A and resid 1 and name c5')
       (segid A and resid 1 and name c4') (segid A and resid 1 and name c3')   1.0 60.0 20.0 2
assign (segid A and resid 2 and name o5') (segid A and resid 2 and name c5')
       (segid A and resid 2 and name c4') (segid A and resid 2 and name c3')   1.0 60.0 20.0 2
assign (segid A and resid 3 and name o5') (segid A and resid 3 and name c5')
       (segid A and resid 3 and name c4') (segid A and resid 3 and name c3')   1.0 60.0 20.0 2
assign (segid A and resid 4 and name o5') (segid A and resid 4 and name c5')
       (segid A and resid 4 and name c4') (segid A and resid 4 and name c3')   1.0 60.0 20.0 2
assign (segid A and resid 5 and name o5') (segid A and resid 5 and name c5')
       (segid A and resid 5 and name c4') (segid A and resid 5 and name c3')   1.0 60.0 20.0 2
assign (segid A and resid 6 and name o5') (segid A and resid 6 and name c5')
       (segid A and resid 6 and name c4') (segid A and resid 6 and name c3')   1.0 60.0 20.0 2

assign (segid A and resid 7 and name o5') (segid A and resid 7 and name c5')
       (segid A and resid 7 and name c4') (segid A and resid 7 and name c3')   1.0 60.0 80.0 2
assign (segid A and resid 7 and name o5') (segid A and resid 7 and name c5')
       (segid A and resid 7 and name c4') (segid A and resid 7 and name c3')   1.0 240.0 140.0 2

assign (segid A and resid 8 and name o5') (segid A and resid 8 and name c5')
       (segid A and resid 8 and name c4') (segid A and resid 8 and name c3')   1.0 60.0 20.0 2  
assign (segid A and resid 9 and name o5') (segid A and resid 9 and name c5')
       (segid A and resid 9 and name c4') (segid A and resid 9 and name c3')   1.0 60.0 20.0 2       
assign (segid A and resid 10 and name o5') (segid A and resid 10 and name c5')
       (segid A and resid 10 and name c4') (segid A and resid 10 and name c3')   1.0 60.0 20.0 2
assign (segid A and resid 11 and name o5') (segid A and resid 11 and name c5')
       (segid A and resid 11 and name c4') (segid A and resid 11 and name c3')   1.0 60.0 20.0 2

!torsion restraints on epsilon
assign  (segid A and resid  1 and name  c4') (segid A and resid  1 and name  c3')
        (segid A and resid  1 and name  o3') (segid A and resid  2 and name   p ) 1.0 170.0 50.0 2
assign  (segid A and resid  2 and name  c4') (segid A and resid  2 and name  c3')
        (segid A and resid  2 and name  o3') (segid A and resid  3 and name   p ) 1.0 170.0 50.0 2
assign  (segid A and resid  3 and name  c4') (segid A and resid  3 and name  c3')
        (segid A and resid  3 and name  o3') (segid A and resid  4 and name   p ) 1.0 170.0 50.0 2
assign  (segid A and resid  4 and name  c4') (segid A and resid  4 and name  c3')
        (segid A and resid  4 and name  o3') (segid A and resid  5 and name   p ) 1.0 170.0 50.0 2
assign  (segid A and resid  5 and name  c4') (segid A and resid  5 and name  c3')
        (segid A and resid  5 and name  o3') (segid A and resid  6 and name   p ) 1.0 170.0 50.0 2
assign  (segid A and resid  6 and name  c4') (segid A and resid  6 and name  c3')
        (segid A and resid  6 and name  o3') (segid A and resid  7 and name   p ) 1.0 170.0 50.0 2
assign  (segid A and resid  7 and name  c4') (segid A and resid  7 and name  c3')
        (segid A and resid  7 and name  o3') (segid A and resid  8 and name   p ) 1.0 170.0 50.0 2
assign  (segid A and resid  8 and name  c4') (segid A and resid  8 and name  c3')
        (segid A and resid  8 and name  o3') (segid A and resid  9 and name   p ) 1.0 170.0 50.0 2
assign  (segid A and resid  9 and name  c4') (segid A and resid  9 and name  c3')
        (segid A and resid  9 and name  o3') (segid A and resid 10 and name   p ) 1.0 170.0 50.0 2
assign  (segid A and resid 10 and name  c4') (segid A and resid 10 and name  c3')
        (segid A and resid 10 and name  o3') (segid A and resid 11 and name   p ) 1.0 170.0 50.0 2



!constraints on sugar v0, v1, v2, v3 and v4 torsion angles between P = 126-198 deg.
!calculated from this formula: vj = vmax*cos(P+(j-2)*144), and vmax=37


!v0
assign (segid A and resid 1 and name c4') (segid A and resid 1 and name o4')   
       (segid A and resid 1 and name c1') (segid A and resid 1 and name c2')   2.0 -17.6 17.6 2
assign (segid A and resid 2 and name c4') (segid A and resid 2 and name o4')
       (segid A and resid 2 and name c1') (segid A and resid 2 and name c2')   2.0 -17.6 17.6 2
assign (segid A and resid 3 and name c4') (segid A and resid 3 and name o4')
       (segid A and resid 3 and name c1') (segid A and resid 3 and name c2')   2.0 -17.6 17.6 2
assign (segid A and resid 4 and name c4') (segid A and resid 4 and name o4')
       (segid A and resid 4 and name c1') (segid A and resid 4 and name c2')   2.0 -17.6 17.6 2
assign (segid A and resid 5 and name c4') (segid A and resid 5 and name o4')
       (segid A and resid 5 and name c1') (segid A and resid 5 and name c2')   2.0 -17.6 17.6 2
assign (segid A and resid 6 and name c4') (segid A and resid 6 and name o4')
       (segid A and resid 6 and name c1') (segid A and resid 6 and name c2')   2.0 -17.6 17.6 2
assign (segid A and resid 7 and name c4') (segid A and resid 7 and name o4')
       (segid A and resid 7 and name c1') (segid A and resid 7 and name c2')   2.0 -17.6 17.6 2
assign (segid A and resid 8 and name c4') (segid A and resid 8 and name o4')
       (segid A and resid 8 and name c1') (segid A and resid 8 and name c2')   2.0 -17.6 17.6 2
assign (segid A and resid 9 and name c4') (segid A and resid 9 and name o4')
       (segid A and resid 9 and name c1') (segid A and resid 9 and name c2')   2.0 -17.6 17.6 2
assign (segid A and resid 10 and name c4') (segid A and resid 10 and name o4')
       (segid A and resid 10 and name c1') (segid A and resid 10 and name c2') 2.0 -17.6 17.6 2
assign (segid A and resid 11 and name c4') (segid A and resid 11 and name o4')
       (segid A and resid 11 and name c1') (segid A and resid 11 and name c2') 2.0 -17.6 17.6 2
       
!v1
assign (segid A and resid 1 and name o4') (segid A and resid 1 and name c1') 
       (segid A and resid 1 and name c2') (segid A and resid 1 and name c3')   2.0 29.4 7.6 2
assign (segid A and resid 2 and name o4') (segid A and resid 2 and name c1')
       (segid A and resid 2 and name c2') (segid A and resid 2 and name c3')   2.0 29.4 7.6 2
assign (segid A and resid 3 and name o4') (segid A and resid 3 and name c1')
       (segid A and resid 3 and name c2') (segid A and resid 3 and name c3')   2.0 29.4 7.6 2
assign (segid A and resid 4 and name o4') (segid A and resid 4 and name c1')
       (segid A and resid 4 and name c2') (segid A and resid 4 and name c3')   2.0 29.4 7.6 2
assign (segid A and resid 5 and name o4') (segid A and resid 5 and name c1')
       (segid A and resid 5 and name c2') (segid A and resid 5 and name c3')   2.0 29.4 7.6 2 
assign (segid A and resid 6 and name o4') (segid A and resid 6 and name c1')
       (segid A and resid 6 and name c2') (segid A and resid 6 and name c3')   2.0 29.4 7.6 2
assign (segid A and resid 7 and name o4') (segid A and resid 7 and name c1')
       (segid A and resid 7 and name c2') (segid A and resid 7 and name c3')   2.0 29.4 7.6 2
assign (segid A and resid 8 and name o4') (segid A and resid 8 and name c1')
       (segid A and resid 8 and name c2') (segid A and resid 8 and name c3')   2.0 29.4 7.6 2
assign (segid A and resid 9 and name o4') (segid A and resid 9 and name c1')
       (segid A and resid 9 and name c2') (segid A and resid 9 and name c3')   2.0 29.4 7.6 2
assign (segid A and resid 10 and name o4') (segid A and resid 10 and name c1')
       (segid A and resid 10 and name c2') (segid A and resid 10 and name c3') 2.0 29.4 7.6 2
assign (segid A and resid 11 and name o4') (segid A and resid 11 and name c1')
       (segid A and resid 11 and name c2') (segid A and resid 11 and name c3') 2.0 29.4 7.6 2

!v2
assign (segid A and resid 1 and name c1') (segid A and resid 1 and name c2')
       (segid A and resid 1 and name c3') (segid A and resid 1 and name c4')   2.0 -24.2 12.8 2
assign (segid A and resid 2 and name c1') (segid A and resid 2 and name c2')
       (segid A and resid 2 and name c3') (segid A and resid 2 and name c4')   2.0 -24.2 12.8 2
assign (segid A and resid 3 and name c1') (segid A and resid 3 and name c2')
       (segid A and resid 3 and name c3') (segid A and resid 3 and name c4')   2.0 -24.2 12.8 2
assign (segid A and resid 4 and name c1') (segid A and resid 4 and name c2')
       (segid A and resid 4 and name c3') (segid A and resid 4 and name c4')   2.0 -24.2 12.8 2
assign (segid A and resid 5 and name c1') (segid A and resid 5 and name c2')
       (segid A and resid 5 and name c3') (segid A and resid 5 and name c4')   2.0 -24.2 12.8 2
assign (segid A and resid 6 and name c1') (segid A and resid 6 and name c2')
       (segid A and resid 6 and name c3') (segid A and resid 6 and name c4')   2.0 -24.2 12.8 2
assign (segid A and resid 7 and name c1') (segid A and resid 7 and name c2')
       (segid A and resid 7 and name c3') (segid A and resid 7 and name c4')   2.0 -24.2 12.8 2
assign (segid A and resid 8 and name c1') (segid A and resid 8 and name c2')
       (segid A and resid 8 and name c3') (segid A and resid 8 and name c4')   2.0 -24.2 12.8 2
assign (segid A and resid 9 and name c1') (segid A and resid 9 and name c2')
       (segid A and resid 9 and name c3') (segid A and resid 9 and name c4')   2.0 -24.2 12.8 2
assign (segid A and resid 10 and name c1') (segid A and resid 10 and name c2')
       (segid A and resid 10 and name c3') (segid A and resid 10 and name c4') 2.0 -24.2 12.8 2
assign (segid A and resid 11 and name c1') (segid A and resid 11 and name c2')
       (segid A and resid 11 and name c3') (segid A and resid 11 and name c4') 2.0 -24.2 12.8 2
       
!v3
assign (segid A and resid 1 and name c2') (segid A and resid 1 and name c3')
       (segid A and resid 1 and name c4') (segid A and resid 1 and name o4')   2.0 17.6 17.6 2
assign (segid A and resid 2 and name c2') (segid A and resid 2 and name c3')
       (segid A and resid 2 and name c4') (segid A and resid 2 and name o4')   2.0 17.6 17.6 2
assign (segid A and resid 3 and name c2') (segid A and resid 3 and name c3')
       (segid A and resid 3 and name c4') (segid A and resid 3 and name o4')   2.0 17.6 17.6 2
assign (segid A and resid 4 and name c2') (segid A and resid 4 and name c3')
       (segid A and resid 4 and name c4') (segid A and resid 4 and name o4')   2.0 17.6 17.6 2
assign (segid A and resid 5 and name c2') (segid A and resid 5 and name c3')
       (segid A and resid 5 and name c4') (segid A and resid 5 and name o4')   2.0 17.6 17.6 2
assign (segid A and resid 6 and name c2') (segid A and resid 6 and name c3')
       (segid A and resid 6 and name c4') (segid A and resid 6 and name o4')   2.0 17.6 17.6 2
assign (segid A and resid 7 and name c2') (segid A and resid 7 and name c3')
       (segid A and resid 7 and name c4') (segid A and resid 7 and name o4')   2.0 17.6 17.6 2
assign (segid A and resid 8 and name c2') (segid A and resid 8 and name c3')
       (segid A and resid 8 and name c4') (segid A and resid 8 and name o4')   2.0 17.6 17.6 2
assign (segid A and resid 9 and name c2') (segid A and resid 9 and name c3')
       (segid A and resid 9 and name c4') (segid A and resid 9 and name o4')   2.0 17.6 17.6 2
assign (segid A and resid 10 and name c2') (segid A and resid 10 and name c3')
       (segid A and resid 10 and name c4') (segid A and resid 10 and name o4') 2.0 17.6 17.6 2
assign (segid A and resid 11 and name c2') (segid A and resid 11 and name c3')
       (segid A and resid 11 and name c4') (segid A and resid 11 and name o4') 2.0 17.6 17.6 2

!v4
assign (segid A and resid 1 and name c3') (segid A and resid 1 and name c4')
       (segid A and resid 1 and name o4') (segid A and resid 1 and name c1')   2.0 0.0 21.7 2
assign (segid A and resid 2 and name c3') (segid A and resid 2 and name c4') 
       (segid A and resid 2 and name o4') (segid A and resid 2 and name c1')   2.0 0.0 21.7 2
assign (segid A and resid 3 and name c3') (segid A and resid 3 and name c4')
       (segid A and resid 3 and name o4') (segid A and resid 3 and name c1')   2.0 0.0 21.7 2
assign (segid A and resid 4 and name c3') (segid A and resid 4 and name c4')
       (segid A and resid 4 and name o4') (segid A and resid 4 and name c1')   2.0 0.0 21.7 2
assign (segid A and resid 5 and name c3') (segid A and resid 5 and name c4')
       (segid A and resid 5 and name o4') (segid A and resid 5 and name c1')   2.0 0.0 21.7 2 
assign (segid A and resid 6 and name c3') (segid A and resid 6 and name c4')
       (segid A and resid 6 and name o4') (segid A and resid 6 and name c1')   2.0 0.0 21.7 2
assign (segid A and resid 7 and name c3') (segid A and resid 7 and name c4')
       (segid A and resid 7 and name o4') (segid A and resid 7 and name c1')   2.0 0.0 21.7 2
assign (segid A and resid 8 and name c3') (segid A and resid 8 and name c4')
       (segid A and resid 8 and name o4') (segid A and resid 8 and name c1')   2.0 0.0 21.7 2
assign (segid A and resid 9 and name c3') (segid A and resid 9 and name c4')
       (segid A and resid 9 and name o4') (segid A and resid 9 and name c1')   2.0 0.0 21.7 2
assign (segid A and resid 10 and name c3') (segid A and resid 10 and name c4')
       (segid A and resid 10 and name o4') (segid A and resid 10 and name c1') 2.0 0.0 21.7 2
assign (segid A and resid 11 and name c3') (segid A and resid 11 and name c4')
       (segid A and resid 11 and name o4') (segid A and resid 11 and name c1') 2.0 0.0 21.7 2

!----------------------------------------------------------------------------------------------
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Contact the webmaster for help, if required. Friday, May 3, 2024 1:19:37 AM GMT (wattos1)
image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	567570	2lzw	18781	cing	1-original	2	XPLOR/CNS	dihedral angle